#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i01 n ASP 3 N 0.00 -0.07 -0.33 3.42 2.03 -1.26 -1.50 116.55 118.83 3i01 n ASP 3 Ca 0.00 1.31 0.07 0.00 0.52 0.00 0.00 54.79 56.69 3i01 n ASP 3 Cb 0.00 -0.48 0.23 0.00 -0.72 0.00 0.00 41.12 40.15 3i01 n ASP 3 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3i01 h PHE 4 N 0.00 1.01 0.00 -0.67 3.57 -2.03 -2.58 116.94 116.24 3i01 h PHE 4 Ca 0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.01 3i01 h PHE 4 Cb 1.00 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.43 3i01 h PHE 4 CO -0.37 0.35 0.00 -0.25 -2.23 0.00 0.00 178.31 175.81 3i01 n ASP 5 N -4.71 0.09 0.32 0.41 8.00 -0.56 -2.12 116.55 117.98 3i01 n ASP 5 Ca 0.18 0.54 0.20 0.00 0.71 0.00 0.00 54.79 56.42 3i01 n ASP 5 Cb 0.39 -0.55 1.09 0.00 -0.02 0.00 0.00 41.12 42.02 3i01 n ASP 5 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3i01 h LYS 6 N 0.00 0.00 0.00 -1.24 3.64 -1.58 -1.47 116.57 115.92 3i01 h LYS 6 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i01 h LYS 6 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3i01 h LYS 6 CO 0.00 0.01 0.00 -0.84 -2.27 0.00 0.00 179.45 176.35 3i01 h ILE 7 N 0.00 0.00 0.00 2.00 3.07 -1.67 -3.01 117.51 117.89 3i01 h ILE 7 Ca -0.00 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 66.01 3i01 h ILE 7 Cb 0.05 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 3i01 h ILE 7 CO 0.00 0.00 -0.73 0.49 -1.05 0.00 0.00 178.15 176.86 3i01 n PHE 8 N -2.73 0.01 -1.97 0.16 3.01 -0.55 -4.97 117.46 110.42 3i01 n PHE 8 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 3i01 n PHE 8 Cb 0.28 -0.15 -0.02 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 -3.01 4.24 0.00 -1.08 2.02 -1.14 -2.81 118.70 116.93 3i01 s GLU 9 Ca 0.09 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.42 3i01 s GLU 9 Cb 0.17 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3i01 s GLU 9 CO 0.78 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.98 3i01 n GLY 10 N 2.58 0.81 0.17 -1.39 0.00 -1.26 -4.90 105.19 101.19 3i01 n GLY 10 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 0.14 -2.23 4.61 0.00 -1.87 -3.41 119.26 116.50 3i01 h ALA 11 Ca 0.00 -0.58 -0.67 0.00 0.00 0.00 0.00 54.91 53.66 3i01 h ALA 11 Cb 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.65 3i01 h ALA 11 CO 0.00 0.46 0.01 0.42 0.00 0.00 0.00 179.25 180.13 3i01 s ILE 12 N -3.40 4.92 0.79 0.00 1.01 -1.26 -4.27 121.20 118.98 3i01 s ILE 12 Ca -0.12 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 3i01 s ILE 12 Cb 0.05 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.40 3i01 s ILE 12 CO 0.85 -0.58 1.00 -2.65 0.00 0.00 0.00 174.94 173.57 3i01 n PRO 13 N 6.04 0.25 -1.74 2.79 -0.02 -1.26 -4.89 135.00 136.16 3i01 n PRO 13 Ca -0.04 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 3i01 n PRO 13 Cb 0.47 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3i01 n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3i01 n GLU 14 N -2.48 2.69 -3.43 -0.52 2.13 -1.26 -1.81 120.64 115.95 3i01 n GLU 14 Ca 0.12 0.96 -0.25 0.00 0.66 0.00 0.00 57.16 58.65 3i01 n GLU 14 Cb 0.50 -2.73 0.03 0.00 0.27 0.00 0.00 31.44 29.51 3i01 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i01 n GLY 15 N 2.12 -0.51 0.90 8.31 0.00 -1.26 -4.90 105.19 109.85 3i01 n GLY 15 Ca 0.08 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.29 0.66 -1.65 1.61 4.76 -0.75 -5.07 118.16 113.43 3i01 n LYS 16 Ca -0.03 -2.35 -0.58 0.00 -2.87 0.00 0.00 58.31 52.48 3i01 n LYS 16 Cb 0.57 -0.77 -0.08 0.00 -1.84 0.00 0.00 35.03 32.91 3i01 n LYS 16 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i01 n GLU 17 N -0.32 0.94 -1.51 1.97 -0.58 -1.26 -4.80 120.64 115.07 3i01 n GLU 17 Ca 0.10 0.33 -0.40 0.00 -0.42 0.00 0.00 57.16 56.78 3i01 n GLU 17 Cb 0.88 -2.04 -0.02 0.00 -0.57 0.00 0.00 31.44 29.69 3i01 n GLU 17 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i01 n PRO 18 N 5.76 3.58 -0.29 3.49 -0.04 -1.26 -4.73 135.00 141.50 3i01 n PRO 18 Ca 0.31 -2.46 0.12 0.00 -0.04 0.00 0.00 63.50 61.43 3i01 n PRO 18 Cb 0.11 -2.91 0.28 0.00 -0.04 0.00 0.00 33.50 30.94 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 3.23 0.35 -0.55 0.52 2.07 -1.89 0.20 116.25 120.18 3i01 h VAL 19 Ca 0.77 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 68.13 3i01 h VAL 19 Cb 0.38 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3i01 h VAL 19 CO 1.78 0.04 0.02 0.00 0.02 0.00 0.00 177.57 179.43 3i01 h ALA 20 N 1.76 1.01 -0.19 1.67 0.00 -1.85 0.56 119.26 122.22 3i01 h ALA 20 Ca 0.54 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3i01 h ALA 20 Cb 1.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3i01 h ALA 20 CO -0.63 0.61 0.06 1.25 0.00 0.00 0.00 179.25 180.54 3i01 h LEU 21 N 0.85 0.06 -1.14 0.00 5.85 -0.79 -1.81 115.31 118.33 3i01 h LEU 21 Ca 0.16 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.00 3i01 h LEU 21 Cb 0.47 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3i01 h LEU 21 CO 0.02 0.06 0.59 -0.26 -0.34 0.00 0.00 178.44 178.52 3i01 h PHE 22 N 0.15 1.02 -0.27 1.25 0.04 -0.75 -0.69 116.94 117.69 3i01 h PHE 22 Ca 0.08 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.73 3i01 h PHE 22 Cb 0.06 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 3i01 h PHE 22 CO -0.12 0.48 -0.45 -0.09 -0.60 0.00 0.00 178.31 177.53 3i01 h ARG 23 N 0.95 0.69 -0.40 1.51 2.43 -0.59 -0.99 114.38 117.98 3i01 h ARG 23 Ca 0.42 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3i01 h ARG 23 Cb 0.36 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3i01 h ARG 23 CO -0.18 0.99 0.25 1.49 -1.51 0.00 0.00 179.97 181.01 3i01 h GLU 24 N 0.55 0.50 -0.44 0.20 4.81 -0.94 -1.06 114.58 118.20 3i01 h GLU 24 Ca 0.04 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3i01 h GLU 24 Cb 0.99 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 3i01 h GLU 24 CO 0.09 0.33 0.19 0.28 -0.73 0.00 0.00 179.01 179.18 3i01 h VAL 25 N 0.52 0.91 -0.40 0.32 2.07 -0.90 0.89 116.25 119.66 3i01 h VAL 25 Ca 0.15 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3i01 h VAL 25 Cb -0.04 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 3i01 h VAL 25 CO -0.04 0.07 0.18 0.22 0.02 0.00 0.00 177.57 178.02 3i01 h TYR 26 N 0.38 0.33 -0.35 1.57 -0.00 -0.87 -1.48 116.97 116.55 3i01 h TYR 26 Ca 0.20 0.02 -0.03 0.00 -0.00 0.00 0.00 58.73 58.92 3i01 h TYR 26 Cb 0.16 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 36.78 3i01 h TYR 26 CO -0.13 0.16 0.09 0.45 -0.00 0.00 0.00 178.16 178.73 3i01 h HIS 27 N 0.37 0.58 -0.95 -3.82 3.86 -0.85 -1.23 115.15 113.12 3i01 h HIS 27 Ca 0.18 -0.07 0.10 0.00 -1.16 0.00 0.00 60.37 59.42 3i01 h HIS 27 Cb 0.11 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.34 3i01 h HIS 27 CO -0.12 0.58 0.58 0.78 0.86 0.00 0.00 177.93 180.62 3i01 h GLY 28 N 0.42 1.51 1.57 2.45 0.00 -0.60 -1.41 103.07 107.00 3i01 h GLY 28 Ca 0.11 -0.40 -0.25 0.00 0.00 0.00 0.00 47.33 46.79 3i01 h GLY 28 CO -0.00 0.18 -1.30 0.00 0.00 0.00 0.00 176.54 175.42 3i01 h ALA 29 N 1.50 0.50 0.22 3.60 0.00 -1.15 -0.04 119.26 123.89 3i01 h ALA 29 Ca 0.45 -1.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 3i01 h ALA 29 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i01 h ALA 29 CO -0.24 1.37 -0.11 0.82 0.00 0.00 0.00 179.25 181.09 3i01 h ILE 30 N 0.00 0.81 -0.13 0.00 2.04 -1.05 -1.68 117.51 117.51 3i01 h ILE 30 Ca -0.13 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3i01 h ILE 30 Cb 1.88 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 3i01 h ILE 30 CO 0.11 0.04 -0.34 0.74 0.00 0.00 0.00 178.15 178.70 3i01 h THR 31 N -0.38 0.26 0.01 -0.27 2.02 -1.23 -0.87 112.91 112.45 3i01 h THR 31 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3i01 h THR 31 Cb 0.29 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3i01 h THR 31 CO 0.05 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.80 3i01 h ALA 32 N 0.37 -0.18 -0.32 6.16 0.00 -1.00 -0.28 119.26 124.01 3i01 h ALA 32 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 32 Cb 0.56 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3i01 h ALA 32 CO -0.36 -0.64 -0.25 1.79 0.00 0.00 0.00 179.25 179.79 3i01 h THR 33 N -0.24 1.27 -0.26 0.00 1.35 -1.18 -1.36 112.91 112.49 3i01 h THR 33 Ca 0.04 -1.34 -0.13 0.00 -0.55 0.00 0.00 66.41 64.43 3i01 h THR 33 Cb 0.29 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3i01 h THR 33 CO -0.13 0.44 -0.35 0.28 -0.25 0.00 0.00 175.52 175.51 3i01 h SER 34 N 0.56 0.77 0.06 5.36 0.02 -1.09 -1.09 113.55 118.14 3i01 h SER 34 Ca 0.08 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 3i01 h SER 34 Cb 0.73 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3i01 h SER 34 CO 0.06 1.12 -0.07 0.22 -1.14 0.00 0.00 176.83 177.01 3i01 h TYR 35 N 0.44 -0.19 -0.73 3.45 3.20 -0.89 -1.90 116.97 120.35 3i01 h TYR 35 Ca 0.03 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.00 3i01 h TYR 35 Cb 0.94 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.21 3i01 h TYR 35 CO 0.08 -0.12 0.37 0.00 -1.64 0.00 0.00 178.16 176.85 3i01 h ALA 36 N 0.78 1.02 -0.64 1.82 0.00 -1.27 -1.73 119.26 119.24 3i01 h ALA 36 Ca 0.01 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 36 Cb 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3i01 h ALA 36 CO -0.03 -0.05 0.31 1.49 0.00 0.00 0.00 179.25 180.97 3i01 h GLU 37 N 0.61 0.55 0.20 0.00 4.22 -0.93 -0.22 114.58 119.01 3i01 h GLU 37 Ca 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.76 3i01 h GLU 37 Cb 0.40 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3i01 h GLU 37 CO -0.28 0.36 -0.10 0.82 -2.18 0.00 0.00 179.01 177.64 3i01 h ILE 38 N 0.56 0.87 -0.76 2.32 2.04 -0.54 -1.55 117.51 120.45 3i01 h ILE 38 Ca 0.30 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3i01 h ILE 38 Cb 0.27 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 3i01 h ILE 38 CO -0.23 0.08 0.45 -0.07 0.00 0.00 0.00 178.15 178.38 3i01 h LEU 39 N -0.45 0.68 0.07 1.44 3.38 -1.33 -0.62 115.31 118.48 3i01 h LEU 39 Ca -0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i01 h LEU 39 Cb 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i01 h LEU 39 CO 0.04 0.43 -0.03 0.25 0.09 0.00 0.00 178.44 179.22 3i01 h LEU 40 N 0.81 -0.08 -0.89 1.67 5.85 -0.92 0.03 115.31 121.78 3i01 h LEU 40 Ca 0.34 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3i01 h LEU 40 Cb 0.20 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3i01 h LEU 40 CO -0.19 0.20 -0.18 0.78 -0.34 0.00 0.00 178.44 178.71 3i01 h ASN 41 N -0.37 0.61 -0.22 1.25 2.35 -1.28 -1.26 115.58 116.66 3i01 h ASN 41 Ca -0.01 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.57 3i01 h ASN 41 Cb 0.32 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3i01 h ASN 41 CO 0.02 0.80 0.09 -0.61 -1.65 0.00 0.00 177.43 176.08 3i01 h GLN 42 N 0.55 0.20 -0.57 0.81 5.75 -1.08 -1.44 115.11 119.33 3i01 h GLN 42 Ca 0.09 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 3i01 h GLN 42 Cb 0.62 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.07 3i01 h GLN 42 CO 0.04 0.13 0.23 0.00 -2.65 0.00 0.00 178.83 176.58 3i01 h ALA 43 N 1.13 0.72 -0.81 3.38 0.00 -0.47 -1.63 119.26 121.57 3i01 h ALA 43 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3i01 h ALA 43 Cb 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3i01 h ALA 43 CO -0.08 -0.17 0.53 0.82 0.00 0.00 0.00 179.25 180.34 3i01 h ILE 44 N 0.42 1.15 -0.22 0.00 2.04 -1.06 0.25 117.51 120.10 3i01 h ILE 44 Ca 0.28 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 3i01 h ILE 44 Cb 0.30 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3i01 h ILE 44 CO -0.26 0.19 -0.18 0.03 0.00 0.00 0.00 178.15 177.93 3i01 h ARG 45 N 1.04 0.38 0.13 2.37 3.08 -0.60 0.41 114.38 121.19 3i01 h ARG 45 Ca 0.32 -0.11 -0.24 0.00 0.07 0.00 0.00 59.98 60.01 3i01 h ARG 45 Cb -0.04 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 29.99 3i01 h ARG 45 CO -0.10 0.55 -1.18 1.15 -1.07 0.00 0.00 179.97 179.33 3i01 h THR 46 N 0.35 1.24 0.00 2.04 2.02 -0.89 -3.39 112.91 114.28 3i01 h THR 46 Ca 0.06 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.77 3i01 h THR 46 Cb 0.52 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 3i01 h THR 46 CO 0.03 0.71 -1.13 -1.22 0.37 0.00 0.00 175.52 174.29 3i01 n TYR 47 N -3.99 0.00 0.00 3.16 4.01 0.04 -5.10 117.16 115.27 3i01 n TYR 47 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3i01 n TYR 47 Cb 0.88 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 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 1.52 -0.32 0.19 2.72 0.00 0.14 -4.31 105.19 105.13 3i01 n GLY 48 Ca -0.00 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.00 1.61 0.13 -1.93 -2.94 132.00 128.87 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 -0.30 -0.25 -0.23 0.00 0.00 178.00 177.22 3i01 n ASP 50 N -2.62 0.40 -4.74 1.44 8.00 -1.26 0.32 116.55 118.09 3i01 n ASP 50 Ca 0.02 -0.14 -0.42 0.00 0.71 0.00 0.00 54.79 54.97 3i01 n ASP 50 Cb 0.32 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 3i01 n ASP 50 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3i01 n HIS 51 N -1.37 2.81 -1.63 1.24 -0.00 -1.11 -4.77 115.22 110.39 3i01 n HIS 51 Ca 0.08 0.20 -0.33 0.00 0.46 0.00 0.00 57.72 58.12 3i01 n HIS 51 Cb 0.33 -2.62 0.06 0.00 -0.12 0.00 0.00 29.99 27.65 3i01 n HIS 51 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3i01 s PRO 52 N -0.02 2.56 0.00 1.57 0.02 -1.26 -0.70 135.00 137.17 3i01 s PRO 52 Ca 0.67 1.51 -0.06 0.00 0.02 0.00 0.00 61.00 63.14 3i01 s PRO 52 Cb -0.50 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.11 3i01 s PRO 52 CO 0.44 -1.46 0.11 0.54 -0.33 0.00 0.00 177.00 176.30 3i01 s VAL 53 N -2.23 0.08 -4.59 3.83 0.11 0.25 -4.63 120.40 113.21 3i01 s VAL 53 Ca 0.69 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 3i01 s VAL 53 Cb -0.23 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 3i01 s VAL 53 CO 0.43 -0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 3i01 n GLY 54 N 1.61 -2.01 3.56 6.54 0.00 -1.26 -4.31 105.19 109.33 3i01 n GLY 54 Ca -0.22 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.56 2.57 0.51 1.61 4.12 -1.26 -4.79 117.35 117.54 3i01 s TYR 55 Ca 0.00 -0.25 -0.17 0.00 0.02 0.00 0.00 57.07 56.66 3i01 s TYR 55 Cb 0.00 -1.20 -0.08 0.00 -1.52 0.00 0.00 41.96 39.16 3i01 s TYR 55 CO 0.00 0.57 0.99 -1.25 0.02 0.00 0.00 175.55 175.88 3i01 s PRO 56 N -3.16 3.91 -1.24 -1.71 0.04 -1.26 -4.36 135.00 127.22 3i01 s PRO 56 Ca 0.27 1.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 3i01 s PRO 56 Cb -0.07 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3i01 s PRO 56 CO 0.16 -0.31 1.06 -0.25 0.04 0.00 0.00 177.00 177.71 3i01 n ASP 57 N -1.43 -4.26 -3.92 6.66 8.00 -1.26 -4.70 116.55 115.64 3i01 n ASP 57 Ca 0.07 -0.56 -0.10 0.00 0.71 0.00 0.00 54.79 54.91 3i01 n ASP 57 Cb 0.54 -4.94 -0.11 0.00 -0.02 0.00 0.00 41.12 36.59 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 0.08 -2.39 -3.53 -1.32 -1.26 -0.83 115.64 103.06 3i01 s THR 58 Ca 0.30 -0.67 0.26 0.00 -1.21 0.00 0.00 61.69 60.37 3i01 s THR 58 Cb -0.13 -0.29 0.35 0.00 -1.51 0.00 0.00 72.50 70.92 3i01 s THR 58 CO 0.71 -0.37 1.54 0.00 -2.21 0.00 0.00 174.62 174.28 3i01 n ALA 59 N 1.80 2.76 -1.04 11.08 0.00 -1.26 -4.60 120.51 129.25 3i01 n ALA 59 Ca -0.21 -0.51 0.04 0.00 0.00 0.00 0.00 53.44 52.75 3i01 n ALA 59 Cb 0.56 -1.04 0.29 0.00 0.00 0.00 0.00 19.45 19.26 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 0.22 1.53 0.00 0.00 4.02 -1.26 -5.01 117.16 116.67 3i01 n TYR 60 Ca 0.15 -1.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.04 3i01 n TYR 60 Cb 0.42 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 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 -0.27 0.00 -3.24 -0.72 4.02 -1.26 -2.61 117.16 113.08 3i01 n TYR 61 Ca 0.28 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.72 3i01 n TYR 61 Cb 1.09 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.36 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 5.95 0.30 7.72 1.43 -1.26 -4.46 118.68 128.36 3i01 s LEU 62 Ca 0.00 -1.76 0.01 0.00 -1.03 0.00 0.00 54.13 51.35 3i01 s LEU 62 Cb 0.00 -2.24 0.53 0.00 0.03 0.00 0.00 46.19 44.51 3i01 s LEU 62 CO 0.00 -0.92 1.90 -0.65 0.23 0.00 0.00 176.35 176.90 3i01 h PRO 63 N 8.89 1.00 -0.48 1.29 0.11 -1.84 -0.95 132.00 140.02 3i01 h PRO 63 Ca -0.25 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 65.88 3i01 h PRO 63 Cb 1.09 -0.22 -0.07 0.00 0.11 0.00 0.00 31.00 31.90 3i01 h PRO 63 CO 1.04 0.66 0.06 0.28 -0.21 0.00 0.00 178.00 179.82 3i01 h VAL 64 N 1.03 0.69 -0.17 3.15 2.07 -1.87 0.80 116.25 121.94 3i01 h VAL 64 Ca 0.41 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.83 3i01 h VAL 64 Cb 0.25 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3i01 h VAL 64 CO -0.17 0.03 -0.05 0.40 0.02 0.00 0.00 177.57 177.81 3i01 h ILE 65 N 0.18 1.29 -0.92 4.57 2.04 -1.67 -1.89 117.51 121.13 3i01 h ILE 65 Ca 0.24 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3i01 h ILE 65 Cb 0.34 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 3i01 h ILE 65 CO -0.35 0.31 0.60 -0.09 0.00 0.00 0.00 178.15 178.62 3i01 h ARG 66 N 0.03 1.14 0.52 2.37 9.65 -0.89 -1.37 114.38 125.84 3i01 h ARG 66 Ca 0.04 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3i01 h ARG 66 Cb 0.49 -0.26 0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3i01 h ARG 66 CO 0.02 0.76 -0.25 0.00 2.80 0.00 0.00 179.97 183.29 3i01 h PHE 68 N -0.99 0.00 0.00 0.00 0.04 -1.19 0.49 116.94 115.28 3i01 h PHE 68 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3i01 h PHE 68 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 3i01 h PHE 68 CO 0.01 0.68 0.00 -1.13 -0.60 0.00 0.00 178.31 177.27 3i01 n SER 69 N -3.27 0.03 0.00 2.17 3.41 -0.61 -4.10 113.62 111.25 3i01 n SER 69 Ca 0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3i01 n SER 69 Cb 0.81 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 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 0.24 0.74 3.77 5.00 0.00 -0.66 -4.62 105.19 109.66 3i01 n GLY 70 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.69 4.33 -1.15 1.61 8.01 -1.25 -4.82 118.70 124.74 3i01 s GLU 71 Ca 0.00 1.78 -0.10 0.00 0.01 0.00 0.00 54.97 56.66 3i01 s GLU 71 Cb 0.00 -2.88 0.25 0.00 -4.31 0.00 0.00 34.13 27.19 3i01 s GLU 71 CO 0.00 -0.06 1.28 0.39 0.01 0.00 0.00 175.26 176.88 3i01 n GLU 72 N 0.54 3.58 -2.24 1.61 1.02 -1.26 -3.92 120.64 119.97 3i01 n GLU 72 Ca 0.02 -4.25 -0.43 0.00 -0.02 0.00 0.00 57.16 52.49 3i01 n GLU 72 Cb 0.46 -2.71 -0.02 0.00 -0.02 0.00 0.00 31.44 29.15 3i01 n GLU 72 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i01 s VAL 73 N -0.51 3.97 0.00 2.62 1.01 -1.26 -4.86 120.40 121.37 3i01 s VAL 73 Ca 0.35 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3i01 s VAL 73 Cb -0.06 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3i01 s VAL 73 CO -0.04 -0.13 0.00 0.29 0.00 0.00 0.00 175.10 175.22 3i01 n LYS 74 N 6.90 3.21 -4.14 2.72 5.02 -1.26 -4.42 118.16 126.19 3i01 n LYS 74 Ca 0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 3i01 n LYS 74 Cb 0.44 -0.96 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.92 0.83 0.25 1.97 -2.85 -1.26 -0.58 119.74 116.19 3i01 s LYS 75 Ca 0.00 -1.37 -0.03 0.00 -1.00 0.00 0.00 55.97 53.57 3i01 s LYS 75 Cb 0.00 0.17 0.41 0.00 -2.06 0.00 0.00 37.83 36.36 3i01 s LYS 75 CO 0.00 -0.19 1.84 -0.07 0.10 0.00 0.00 175.35 177.03 3i01 h LEU 76 N 2.95 0.83 -0.17 2.77 3.38 -0.82 -1.37 115.31 122.87 3i01 h LEU 76 Ca -0.35 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3i01 h LEU 76 Cb 1.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i01 h LEU 76 CO 0.62 0.49 0.00 0.61 0.09 0.00 0.00 178.44 180.25 3i01 n GLY 77 N -1.33 -0.87 0.18 0.83 0.00 0.15 -1.66 105.19 102.49 3i01 n GLY 77 Ca 0.15 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 3i01 n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i01 h ASP 78 N 0.00 0.00 0.36 1.61 3.45 -1.48 -3.38 116.42 116.99 3i01 h ASP 78 Ca 0.00 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.14 3i01 h ASP 78 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3i01 h ASP 78 CO 0.00 0.39 -1.57 -0.07 -1.57 0.00 0.00 179.24 176.42 3i01 h LEU 79 N 0.00 0.51 -0.68 1.55 3.38 -1.46 -3.39 115.31 115.23 3i01 h LEU 79 Ca -0.00 -0.69 0.15 0.00 0.09 0.00 0.00 57.88 57.42 3i01 h LEU 79 Cb 0.89 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.36 3i01 h LEU 79 CO 0.05 1.57 0.04 -0.65 0.09 0.00 0.00 178.44 179.54 3i01 h PRO 80 N 0.09 0.14 0.00 1.13 0.11 -1.74 -0.82 132.00 130.91 3i01 h PRO 80 Ca -0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 3i01 h PRO 80 Cb 2.06 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 33.13 3i01 h PRO 80 CO 0.18 0.09 -0.22 -1.00 -0.21 0.00 0.00 178.00 176.85 3i01 h PRO 81 N 0.15 0.00 -0.06 1.05 0.13 -1.86 -2.21 132.00 129.20 3i01 h PRO 81 Ca 0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.46 3i01 h PRO 81 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 3i01 h PRO 81 CO -0.56 0.22 -0.09 0.82 -0.23 0.00 0.00 178.00 178.16 3i01 h ILE 82 N 0.00 1.40 -0.58 -3.56 2.04 -1.38 -2.90 117.51 112.52 3i01 h ILE 82 Ca -0.00 -1.33 0.05 0.00 1.00 0.00 0.00 64.86 64.57 3i01 h ILE 82 Cb 0.42 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 3i01 h ILE 82 CO 0.03 0.37 0.32 0.25 0.00 0.00 0.00 178.15 179.12 3i01 h LEU 83 N -0.31 0.48 -0.95 1.44 5.85 -1.32 -2.60 115.31 117.91 3i01 h LEU 83 Ca 0.01 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.89 3i01 h LEU 83 Cb 0.63 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.50 3i01 h LEU 83 CO 0.02 0.33 0.57 0.78 -0.34 0.00 0.00 178.44 179.79 3i01 h ASN 84 N 0.61 0.78 -0.57 1.25 2.35 -1.44 0.52 115.58 119.09 3i01 h ASN 84 Ca 0.25 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3i01 h ASN 84 Cb 0.13 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3i01 h ASN 84 CO -0.15 0.37 0.35 0.03 -1.65 0.00 0.00 177.43 176.38 3i01 h ARG 85 N 0.84 0.77 -0.11 0.81 3.08 -1.25 -1.65 114.38 116.87 3i01 h ARG 85 Ca 0.50 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.30 3i01 h ARG 85 Cb 0.60 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3i01 h ARG 85 CO -0.31 0.55 -0.67 0.87 -1.07 0.00 0.00 179.97 179.33 3i01 h LYS 86 N 0.77 0.47 -0.90 0.04 1.79 -1.13 -2.81 116.57 114.80 3i01 h LYS 86 Ca 0.20 -0.35 0.08 0.00 -2.18 0.00 0.00 60.65 58.40 3i01 h LYS 86 Cb -0.03 0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.62 3i01 h LYS 86 CO -0.04 0.98 0.55 -0.09 -1.08 0.00 0.00 179.45 179.77 3i01 h ARG 87 N 0.33 0.95 0.00 3.15 2.43 0.38 -2.60 114.38 119.02 3i01 h ARG 87 Ca -0.02 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3i01 h ARG 87 Cb 1.24 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3i01 h ARG 87 CO 0.12 0.63 -0.22 0.00 -1.51 0.00 0.00 179.97 178.99 3i01 h ALA 88 N 1.44 0.93 -0.02 2.80 0.00 -1.24 -3.10 119.26 120.07 3i01 h ALA 88 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i01 h ALA 88 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i01 h ALA 88 CO -0.20 0.27 -0.01 0.00 0.00 0.00 0.00 179.25 179.31 3i01 n GLN 89 N -3.26 1.66 -2.88 0.00 10.64 -0.99 -4.71 117.38 117.85 3i01 n GLN 89 Ca 0.01 -0.99 -0.42 0.00 -1.83 0.00 0.00 57.00 53.77 3i01 n GLN 89 Cb 0.51 -1.48 -0.04 0.00 -0.86 0.00 0.00 30.24 28.36 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 -2.02 4.70 -0.09 -0.39 1.01 -1.18 -4.57 120.40 117.86 3i01 s VAL 90 Ca 0.37 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.57 3i01 s VAL 90 Cb 0.21 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3i01 s VAL 90 CO 0.34 -0.38 -0.14 -0.55 0.00 0.00 0.00 175.10 174.37 3i01 s SER 91 N 1.72 3.96 0.00 3.32 0.15 -1.26 -5.00 113.70 116.58 3i01 s SER 91 Ca 0.35 -0.29 0.19 0.00 0.70 0.00 0.00 55.95 56.90 3i01 s SER 91 Cb -0.13 -1.28 0.95 0.00 -1.71 0.00 0.00 66.02 63.86 3i01 s SER 91 CO 0.15 0.24 1.58 -0.81 1.20 0.00 0.00 173.24 175.60 3i01 n PRO 92 N 3.02 0.27 -2.49 5.44 -0.04 -1.26 -4.62 135.00 135.32 3i01 n PRO 92 Ca -0.18 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 3i01 n PRO 92 Cb 0.52 -1.50 -0.02 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 -2.57 4.22 -0.37 0.52 1.01 -1.26 -4.96 120.40 116.99 3i01 s VAL 93 Ca 0.18 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.34 3i01 s VAL 93 Cb 0.13 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3i01 s VAL 93 CO 0.29 -0.58 0.48 -0.76 0.00 0.00 0.00 175.10 174.53 3i01 s LEU 94 N 4.31 4.46 0.33 3.92 1.43 -1.26 -4.81 118.68 127.06 3i01 s LEU 94 Ca 0.53 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 3i01 s LEU 94 Cb -0.14 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.60 3i01 s LEU 94 CO 0.23 -0.49 0.70 0.54 0.23 0.00 0.00 176.35 177.57 3i01 s ASN 95 N 1.78 0.01 0.11 2.29 2.20 -1.26 -5.03 114.94 115.04 3i01 s ASN 95 Ca 0.17 -0.99 -0.18 0.00 -0.94 0.00 0.00 52.86 50.91 3i01 s ASN 95 Cb -0.16 0.77 -0.05 0.00 -2.00 0.00 0.00 41.25 39.81 3i01 s ASN 95 CO 0.13 -1.49 1.66 0.15 -2.94 0.00 0.00 177.10 174.62 3i01 h PHE 96 N 2.04 0.42 0.32 1.54 -0.00 -1.99 -1.23 116.94 118.03 3i01 h PHE 96 Ca -0.27 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 57.67 3i01 h PHE 96 Cb 1.25 -0.13 -0.02 0.00 -0.00 0.00 0.00 35.95 37.06 3i01 h PHE 96 CO 0.99 0.41 -0.28 1.49 -0.00 0.00 0.00 178.31 180.91 3i01 h GLU 97 N 0.30 -0.60 -0.28 1.11 4.81 -1.98 -0.55 114.58 117.40 3i01 h GLU 97 Ca 0.09 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3i01 h GLU 97 Cb 0.16 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3i01 h GLU 97 CO -0.01 -0.40 0.20 -0.91 -0.73 0.00 0.00 179.01 177.16 3i01 h ASN 98 N -0.62 0.10 -0.15 1.04 2.35 -1.85 -0.61 115.58 115.84 3i01 h ASN 98 Ca -0.02 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3i01 h ASN 98 Cb 0.56 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3i01 h ASN 98 CO -0.04 0.06 -0.28 0.00 -1.65 0.00 0.00 177.43 175.53 3i01 h ALA 99 N 1.85 0.23 -0.59 -0.83 0.00 -0.73 -0.97 119.26 118.23 3i01 h ALA 99 Ca 0.13 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3i01 h ALA 99 Cb 0.37 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3i01 h ALA 99 CO -0.01 0.24 0.30 0.00 0.00 0.00 0.00 179.25 179.78 3i01 h ARG 100 N 0.07 0.55 -0.22 0.00 3.08 -0.46 0.57 114.38 117.97 3i01 h ARG 100 Ca 0.01 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3i01 h ARG 100 Cb 0.87 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3i01 h ARG 100 CO 0.06 0.37 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.16 3i01 h LEU 101 N 0.57 0.33 -0.48 3.04 3.38 -0.98 -1.80 115.31 119.37 3i01 h LEU 101 Ca 0.27 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 3i01 h LEU 101 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3i01 h LEU 101 CO -0.19 0.47 -0.12 0.00 0.09 0.00 0.00 178.44 178.70 3i01 h ALA 102 N 1.57 0.66 -0.38 1.53 0.00 -0.70 -2.21 119.26 119.74 3i01 h ALA 102 Ca 0.07 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.71 3i01 h ALA 102 Cb 0.39 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3i01 h ALA 102 CO 0.02 0.57 -0.18 0.78 0.00 0.00 0.00 179.25 180.44 3i01 h GLY 103 N 0.78 0.10 0.97 0.00 0.00 -0.17 0.35 103.07 105.10 3i01 h GLY 103 Ca 0.12 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 3i01 h GLY 103 CO 0.05 -0.19 0.13 -2.09 0.00 0.00 0.00 176.54 174.44 3i01 h GLU 104 N -0.11 0.29 -0.95 4.80 4.81 -1.27 -1.54 114.58 120.61 3i01 h GLU 104 Ca 0.19 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3i01 h GLU 104 Cb 0.40 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 3i01 h GLU 104 CO -0.45 0.24 0.61 0.00 -0.73 0.00 0.00 179.01 178.68 3i01 h ALA 105 N 1.03 1.53 -0.12 2.92 0.00 -1.22 -1.20 119.26 122.21 3i01 h ALA 105 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3i01 h ALA 105 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3i01 h ALA 105 CO -0.01 0.29 -0.41 1.15 0.00 0.00 0.00 179.25 180.27 3i01 h THR 106 N 1.01 1.31 -0.44 0.00 2.02 -0.50 0.27 112.91 116.58 3i01 h THR 106 Ca 0.43 -1.51 -0.14 0.00 0.77 0.00 0.00 66.41 65.96 3i01 h THR 106 Cb 0.33 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3i01 h THR 106 CO -0.19 0.45 -0.28 -0.50 0.37 0.00 0.00 175.52 175.38 3i01 h TRP 107 N 0.22 1.10 0.33 3.16 4.06 -0.31 -1.33 115.95 123.17 3i01 h TRP 107 Ca 0.02 -0.29 -0.01 0.00 2.06 0.00 0.00 58.89 60.67 3i01 h TRP 107 Cb 0.81 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 3i01 h TRP 107 CO 0.02 1.10 -0.18 1.88 -3.56 0.00 0.00 178.44 177.70 3i01 h TYR 108 N 0.80 -0.46 -0.38 0.49 0.05 -0.84 -1.80 116.97 114.83 3i01 h TYR 108 Ca 0.09 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.94 3i01 h TYR 108 Cb 0.85 0.16 -0.09 0.00 1.01 0.00 0.00 36.73 38.66 3i01 h TYR 108 CO 0.05 -0.28 -0.27 0.00 -1.05 0.00 0.00 178.16 176.61 3i01 h ALA 109 N 0.20 -0.07 -0.69 3.88 0.00 -0.86 -1.01 119.26 120.70 3i01 h ALA 109 Ca -0.04 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i01 h ALA 109 Cb 0.38 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3i01 h ALA 109 CO 0.05 -0.66 0.46 0.00 0.00 0.00 0.00 179.25 179.10 3i01 h ALA 110 N 0.91 1.53 -0.37 0.00 0.00 -1.10 0.87 119.26 121.11 3i01 h ALA 110 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3i01 h ALA 110 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i01 h ALA 110 CO -0.50 0.43 -0.20 1.49 0.00 0.00 0.00 179.25 180.47 3i01 h GLU 111 N 0.92 0.78 -0.58 0.00 4.57 -0.68 0.48 114.58 120.06 3i01 h GLU 111 Ca 0.26 -0.35 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 3i01 h GLU 111 Cb -0.07 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3i01 h GLU 111 CO -0.06 0.97 0.03 0.82 -1.18 0.00 0.00 179.01 179.59 3i01 h ILE 112 N 0.57 1.26 -0.20 2.32 2.04 -0.70 -1.08 117.51 121.72 3i01 h ILE 112 Ca 0.08 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3i01 h ILE 112 Cb 0.75 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3i01 h ILE 112 CO 0.06 0.39 0.11 0.40 0.00 0.00 0.00 178.15 179.11 3i01 h ILE 113 N 0.89 1.12 -0.55 -0.67 2.04 -0.64 -1.45 117.51 118.26 3i01 h ILE 113 Ca 0.17 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3i01 h ILE 113 Cb 0.51 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3i01 h ILE 113 CO 0.02 0.12 0.34 -0.33 0.00 0.00 0.00 178.15 178.30 3i01 h GLU 114 N 0.21 0.65 -0.95 2.37 4.39 -0.83 -0.37 114.58 120.05 3i01 h GLU 114 Ca 0.07 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3i01 h GLU 114 Cb 0.09 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 3i01 h GLU 114 CO -0.01 0.43 0.57 0.00 -1.16 0.00 0.00 179.01 178.84 3i01 h ALA 115 N 1.23 1.22 -0.23 3.43 0.00 -0.92 -1.96 119.26 122.03 3i01 h ALA 115 Ca 0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3i01 h ALA 115 Cb -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3i01 h ALA 115 CO -0.08 0.67 -0.28 -0.07 0.00 0.00 0.00 179.25 179.48 3i01 h LEU 116 N 1.31 0.45 -1.29 0.00 3.38 -0.99 -2.02 115.31 116.16 3i01 h LEU 116 Ca 0.34 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3i01 h LEU 116 Cb -0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3i01 h LEU 116 CO -0.06 0.73 -0.26 -0.09 0.09 0.00 0.00 178.44 178.85 3i01 h ARG 117 N 0.39 0.15 0.00 1.13 2.43 -0.41 -1.23 114.38 116.85 3i01 h ARG 117 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i01 h ARG 117 Cb 0.70 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3i01 h ARG 117 CO 0.05 0.41 0.00 0.66 -1.51 0.00 0.00 179.97 179.58 3i01 n TYR 118 N -4.18 0.00 0.29 2.20 4.01 -0.78 -1.91 117.16 116.79 3i01 n TYR 118 Ca -0.01 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.89 3i01 n TYR 118 Cb 0.34 -0.24 0.96 0.00 -0.31 0.00 0.00 39.34 40.09 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 -1.63 7.72 3.38 -1.01 -0.87 115.31 122.90 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 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i01 h LEU 119 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3i01 n LYS 120 N -3.68 2.09 -2.72 1.13 4.76 -0.80 -4.94 118.16 113.99 3i01 n LYS 120 Ca -0.02 -1.62 -0.38 0.00 -2.87 0.00 0.00 58.31 53.42 3i01 n LYS 120 Cb 0.13 -1.46 -0.06 0.00 -1.84 0.00 0.00 35.03 31.80 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 -1.77 3.75 0.07 2.13 5.04 -0.33 -4.91 117.35 121.32 3i01 s TYR 121 Ca 0.34 1.81 0.03 0.00 -2.44 0.00 0.00 57.07 56.82 3i01 s TYR 121 Cb 0.20 -2.99 -0.03 0.00 0.35 0.00 0.00 41.96 39.49 3i01 s TYR 121 CO 0.30 0.15 -0.10 0.15 -1.34 0.00 0.00 175.55 174.72 3i01 s LYS 122 N -1.74 0.71 0.23 4.97 1.02 -1.09 -5.02 119.74 118.82 3i01 s LYS 122 Ca 0.47 -0.97 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 3i01 s LYS 122 Cb -0.23 -0.46 0.32 0.00 -0.52 0.00 0.00 37.83 36.94 3i01 s LYS 122 CO 0.28 0.08 1.63 -1.35 -0.92 0.00 0.00 175.35 175.07 3i01 h PRO 123 N 4.04 0.04 0.00 -1.68 0.11 -2.02 0.19 132.00 132.67 3i01 h PRO 123 Ca -0.37 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 3i01 h PRO 123 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i01 h PRO 123 CO 0.46 0.02 -0.02 0.38 -0.21 0.00 0.00 178.00 178.64 3i01 h ASP 124 N 0.04 0.00 -2.41 -2.05 3.04 -2.03 -3.41 116.42 109.60 3i01 h ASP 124 Ca 0.35 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.58 3i01 h ASP 124 Cb 0.57 0.00 -0.38 0.00 -1.04 0.00 0.00 39.33 38.48 3i01 h ASP 124 CO -0.68 0.02 -0.89 -0.70 -2.04 0.00 0.00 179.24 174.96 3i01 s GLU 125 N -4.04 0.71 0.66 4.15 2.12 0.66 -5.13 118.70 117.82 3i01 s GLU 125 Ca -0.03 -1.61 -0.12 0.00 0.36 0.00 0.00 54.97 53.57 3i01 s GLU 125 Cb 0.12 -1.28 -0.01 0.00 0.26 0.00 0.00 34.13 33.22 3i01 s GLU 125 CO 0.48 -1.29 1.05 -1.25 -0.54 0.00 0.00 175.26 173.72 3i01 s PRO 126 N 0.67 3.16 0.25 4.30 0.04 -1.24 -2.66 135.00 139.52 3i01 s PRO 126 Ca 0.24 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 3i01 s PRO 126 Cb -0.11 -2.02 0.31 0.00 0.04 0.00 0.00 34.50 32.73 3i01 s PRO 126 CO -0.08 -0.93 1.76 -0.07 0.04 0.00 0.00 177.00 177.72 3i01 h LEU 127 N -0.36 0.80 -8.50 -3.56 3.38 -1.91 -3.43 115.31 101.73 3i01 h LEU 127 Ca -0.45 -0.19 -0.59 0.00 0.09 0.00 0.00 57.88 56.75 3i01 h LEU 127 Cb 1.21 -0.21 -0.27 0.00 0.09 0.00 0.00 40.66 41.47 3i01 h LEU 127 CO 0.58 0.85 -0.85 -0.76 0.09 0.00 0.00 178.44 178.35 3i01 s LEU 128 N -9.22 2.12 0.76 1.67 1.43 -1.26 -5.15 118.68 109.02 3i01 s LEU 128 Ca -0.10 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 3i01 s LEU 128 Cb 0.15 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.41 3i01 s LEU 128 CO 0.81 0.20 1.14 -2.16 0.23 0.00 0.00 176.35 176.57 3i01 s PRO 129 N -0.90 2.36 0.55 1.29 0.04 -1.26 -4.86 135.00 132.22 3i01 s PRO 129 Ca 0.08 0.30 -0.20 0.00 0.04 0.00 0.00 61.00 61.22 3i01 s PRO 129 Cb -0.08 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 3i01 s PRO 129 CO 0.01 -1.36 0.93 -2.30 0.04 0.00 0.00 177.00 174.32 3i01 n PRO 130 N -3.19 0.99 0.00 0.56 -0.02 -1.26 -1.59 135.00 130.48 3i01 n PRO 130 Ca 0.07 0.37 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 3i01 n PRO 130 Cb 0.59 -2.08 0.80 0.00 -0.02 0.00 0.00 33.50 32.79 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 -0.58 0.61 -1.62 0.52 -0.04 -1.26 -5.10 135.00 127.52 3i01 n PRO 131 Ca 0.12 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.18 3i01 n PRO 131 Cb 0.45 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.19 1.19 -0.12 0.54 8.01 -0.62 -4.43 117.44 120.82 3i01 n TRP 132 Ca 0.17 0.53 -0.17 0.00 -1.31 0.00 0.00 57.50 56.72 3i01 n TRP 132 Cb 0.19 -2.23 -0.12 0.00 -2.01 0.00 0.00 31.31 27.14 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 -0.70 1.44 -4.95 -0.99 -2.24 -0.31 -4.78 114.28 101.76 3i01 n THR 133 Ca 0.10 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3i01 n THR 133 Cb 0.41 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 2.23 2.29 3.67 3.38 0.00 -1.17 -4.61 105.19 110.99 3i01 n GLY 134 Ca -0.43 -0.46 -0.46 0.00 0.00 0.00 0.00 46.02 44.67 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 9.64 2.29 -3.41 1.61 7.35 -1.26 -4.89 117.46 128.79 3i01 n PHE 135 Ca 0.00 0.27 -0.40 0.00 -0.76 0.00 0.00 57.45 56.56 3i01 n PHE 135 Cb 0.00 -2.55 -0.09 0.00 0.35 0.00 0.00 39.48 37.19 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 0.88 5.17 0.37 -2.13 1.01 -1.26 -5.03 121.20 120.21 3i01 s ILE 136 Ca 0.78 0.23 -0.26 0.00 0.00 0.00 0.00 60.65 61.40 3i01 s ILE 136 Cb -0.67 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 37.91 3i01 s ILE 136 CO 0.38 0.01 1.05 0.61 0.00 0.00 0.00 174.94 176.99 3i01 n GLY 137 N 4.87 -0.10 0.33 6.18 0.00 -1.26 -4.88 105.19 110.33 3i01 n GLY 137 Ca -0.09 0.23 0.21 0.00 0.00 0.00 0.00 46.02 46.37 3i01 n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i01 h ASP 138 N 1.85 0.15 -0.08 1.61 3.45 -1.29 -1.68 116.42 120.44 3i01 h ASP 138 Ca -0.43 0.23 0.02 0.00 0.43 0.00 0.00 57.03 57.28 3i01 h ASP 138 Cb 1.33 0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 40.36 3i01 h ASP 138 CO 0.59 -0.26 0.10 -0.65 -1.57 0.00 0.00 179.24 177.45 3i01 h PRO 139 N 0.16 0.00 0.12 3.56 0.11 -1.88 -1.92 132.00 132.14 3i01 h PRO 139 Ca 0.69 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.63 3i01 h PRO 139 Cb 1.59 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.72 3i01 h PRO 139 CO -0.72 0.00 -0.77 0.28 -0.21 0.00 0.00 178.00 176.59 3i01 h VAL 140 N 0.00 1.50 -0.51 3.15 2.07 -1.67 -2.03 116.25 118.76 3i01 h VAL 140 Ca 0.04 -2.50 0.10 0.00 0.82 0.00 0.00 66.70 65.16 3i01 h VAL 140 Cb 0.23 3.17 -0.09 0.00 -1.52 0.00 0.00 31.29 33.08 3i01 h VAL 140 CO -0.00 0.70 -0.06 0.58 0.02 0.00 0.00 177.57 178.80 3i01 h VAL 141 N -0.46 0.54 -0.16 2.57 2.07 -1.42 -2.61 116.25 116.77 3i01 h VAL 141 Ca -0.14 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.22 3i01 h VAL 141 Cb 1.56 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3i01 h VAL 141 CO 0.12 0.01 -0.51 0.03 0.02 0.00 0.00 177.57 177.24 3i01 h ARG 142 N 0.06 0.44 -0.44 1.57 3.08 -1.44 -2.88 114.38 114.77 3i01 h ARG 142 Ca 0.26 -0.26 0.09 0.00 0.07 0.00 0.00 59.98 60.13 3i01 h ARG 142 Cb 0.39 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 3i01 h ARG 142 CO -0.48 0.85 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.12 3i01 h ARG 143 N 0.35 0.04 -0.05 0.04 2.43 -0.99 -2.34 114.38 113.86 3i01 h ARG 143 Ca 0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i01 h ARG 143 Cb 1.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3i01 h ARG 143 CO 0.09 0.03 0.00 1.19 -1.51 0.00 0.00 179.97 179.77 3i01 n PHE 144 N -5.28 0.05 -0.32 2.20 3.72 -1.07 -4.47 117.46 112.29 3i01 n PHE 144 Ca 0.03 -0.02 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 3i01 n PHE 144 Cb 0.24 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.99 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 4.85 1.47 2.00 1.37 0.00 -1.19 -2.35 103.07 109.22 3i01 h GLY 145 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3i01 h GLY 145 CO 0.00 0.09 -0.26 1.19 0.00 0.00 0.00 176.54 177.56 3i01 h ILE 146 N 0.82 0.75 0.00 2.60 6.09 -1.78 0.12 117.51 126.12 3i01 h ILE 146 Ca 0.46 -1.08 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 3i01 h ILE 146 Cb 0.51 1.67 0.00 0.00 0.47 0.00 0.00 36.82 39.47 3i01 h ILE 146 CO -0.29 0.25 -0.10 0.29 -3.07 0.00 0.00 178.15 175.23 3i01 n LYS 147 N -3.61 0.26 0.07 2.19 5.02 -0.91 -3.38 118.16 117.80 3i01 n LYS 147 Ca -0.01 0.19 -0.19 0.00 -2.02 0.00 0.00 58.31 56.28 3i01 n LYS 147 Cb 0.39 -1.78 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 3i01 n LYS 147 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3i01 h MET 148 N 0.00 0.31 0.00 1.97 2.86 -0.51 0.16 114.93 119.72 3i01 h MET 148 Ca 0.00 -0.53 -0.05 0.00 -2.06 0.00 0.00 59.70 57.06 3i01 h MET 148 Cb 0.73 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 3i01 h MET 148 CO 0.00 1.19 -0.23 -0.39 1.06 0.00 0.00 176.91 178.54 3i01 h VAL 149 N 0.08 0.97 -0.25 -2.22 -1.51 -1.36 -2.43 116.25 109.54 3i01 h VAL 149 Ca -0.27 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 3i01 h VAL 149 Cb 2.05 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 3i01 h VAL 149 CO 0.17 0.23 0.00 -0.90 -1.23 0.00 0.00 177.57 175.84 3i01 n ASP 150 N -3.97 3.50 -1.50 4.19 3.85 -1.25 -4.74 116.55 116.63 3i01 n ASP 150 Ca -0.02 -2.79 -0.19 0.00 -0.71 0.00 0.00 54.79 51.08 3i01 n ASP 150 Cb 0.31 -0.45 -0.08 0.00 -1.35 0.00 0.00 41.12 39.55 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 -0.02 0.24 2.11 7.02 -0.91 -4.87 117.44 120.62 3i01 n TRP 151 Ca 0.18 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.74 3i01 n TRP 151 Cb 0.76 -3.28 0.63 0.00 -2.42 0.00 0.00 31.31 26.99 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 1.00 -3.12 -0.99 1.03 -1.69 -3.03 112.91 106.11 3i01 h THR 152 Ca -0.40 -0.01 -0.72 0.00 -0.01 0.00 0.00 66.41 65.27 3i01 h THR 152 Cb 1.27 0.96 -0.21 0.00 -1.07 0.00 0.00 68.15 69.10 3i01 h THR 152 CO 0.58 0.01 -0.08 -0.63 -0.01 0.00 0.00 175.52 175.38 3i01 s ILE 153 N -5.09 5.02 -0.72 0.00 1.01 -0.01 -4.51 121.20 116.91 3i01 s ILE 153 Ca -0.05 -1.02 0.25 0.00 0.00 0.00 0.00 60.65 59.83 3i01 s ILE 153 Cb 0.17 -4.33 0.25 0.00 0.01 0.00 0.00 42.46 38.57 3i01 s ILE 153 CO 0.68 -0.87 1.75 -0.81 0.00 0.00 0.00 174.94 175.69 3i01 n PRO 154 N 5.78 0.18 -3.74 2.79 -0.04 -1.15 -4.70 135.00 134.12 3i01 n PRO 154 Ca -0.11 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3i01 n PRO 154 Cb 0.43 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3i01 n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i01 n GLY 155 N 0.80 -0.74 2.88 0.55 0.00 -1.26 -4.72 105.19 102.70 3i01 n GLY 155 Ca 0.04 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.47 0.48 -0.20 1.61 8.01 -0.60 -1.55 118.70 124.97 3i01 s GLU 156 Ca 0.00 -0.06 -0.05 0.00 0.01 0.00 0.00 54.97 54.87 3i01 s GLU 156 Cb 0.00 -0.54 -0.02 0.00 -4.31 0.00 0.00 34.13 29.26 3i01 s GLU 156 CO 0.00 -0.04 -0.01 0.00 0.01 0.00 0.00 175.26 175.22 3i01 s ALA 157 N 0.59 2.96 -0.36 5.21 0.00 -0.43 -2.16 121.76 127.57 3i01 s ALA 157 Ca -0.07 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 3i01 s ALA 157 Cb -0.10 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.31 3i01 s ALA 157 CO -0.01 -0.22 0.16 0.42 0.00 0.00 0.00 175.76 176.11 3i01 s ILE 158 N 1.13 4.24 -0.32 0.00 1.01 -0.73 -0.95 121.20 125.58 3i01 s ILE 158 Ca 0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 3i01 s ILE 158 Cb -0.14 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 3i01 s ILE 158 CO 0.01 -0.19 0.16 -0.63 0.00 0.00 0.00 174.94 174.28 3i01 s ILE 159 N 1.49 4.57 -0.12 2.92 1.01 0.34 -0.11 121.20 131.29 3i01 s ILE 159 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3i01 s ILE 159 Cb -0.19 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 38.94 3i01 s ILE 159 CO 0.05 0.03 -0.14 -0.22 0.00 0.00 0.00 174.94 174.65 3i01 s LEU 160 N 1.60 1.67 0.00 2.97 2.96 -0.24 -0.97 118.68 126.66 3i01 s LEU 160 Ca 0.04 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 3i01 s LEU 160 Cb -0.17 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.42 3i01 s LEU 160 CO 0.06 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 3i01 n GLY 161 N 4.42 0.58 2.85 7.98 0.00 -0.30 -1.04 105.19 119.68 3i01 n GLY 161 Ca -0.18 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 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 0.42 0.62 1.61 3.52 0.74 -1.17 118.95 124.69 3i01 s ARG 162 Ca 0.00 0.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.50 3i01 s ARG 162 Cb 0.00 -0.53 -0.03 0.00 -1.56 0.00 0.00 34.95 32.83 3i01 s ARG 162 CO 0.00 -0.09 1.01 0.00 -0.81 0.00 0.00 175.30 175.41 3i01 s ALA 163 N 0.85 3.10 0.44 6.12 0.00 -1.26 -2.30 121.76 128.71 3i01 s ALA 163 Ca -0.09 -0.19 0.20 0.00 0.00 0.00 0.00 51.96 51.87 3i01 s ALA 163 Cb -0.12 -3.01 1.14 0.00 0.00 0.00 0.00 23.12 21.13 3i01 s ALA 163 CO -0.01 -0.74 1.86 1.57 0.00 0.00 0.00 175.76 178.45 3i01 h LYS 164 N -0.32 0.33 -2.81 0.00 2.10 -1.99 -3.43 116.57 110.46 3i01 h LYS 164 Ca -0.44 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.22 3i01 h LYS 164 Cb 1.20 -0.08 -0.12 0.00 -0.90 0.00 0.00 32.23 32.34 3i01 h LYS 164 CO 0.62 0.22 0.29 0.16 -2.00 0.00 0.00 179.45 178.74 3i01 s ASP 165 N -5.65 -0.46 0.25 7.07 1.47 -1.26 -5.06 116.67 113.02 3i01 s ASP 165 Ca -0.08 -0.10 -0.04 0.00 1.18 0.00 0.00 52.55 53.51 3i01 s ASP 165 Cb 0.22 0.56 0.35 0.00 -0.34 0.00 0.00 42.92 43.72 3i01 s ASP 165 CO 0.78 -0.94 1.88 0.28 0.68 0.00 0.00 175.17 177.85 3i01 h SER 166 N 2.00 0.98 -0.10 2.11 0.02 -1.90 -2.80 113.55 113.86 3i01 h SER 166 Ca -0.29 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 3i01 h SER 166 Cb 1.28 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 3i01 h SER 166 CO 0.34 0.64 -0.04 0.11 -1.14 0.00 0.00 176.83 176.74 3i01 h LYS 167 N 1.13 0.21 -0.45 3.45 1.79 -1.97 -0.47 116.57 120.25 3i01 h LYS 167 Ca 0.40 -0.09 0.06 0.00 -2.18 0.00 0.00 60.65 58.84 3i01 h LYS 167 Cb 0.11 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 3i01 h LYS 167 CO -0.15 0.55 0.13 0.00 -1.08 0.00 0.00 179.45 178.89 3i01 h ALA 168 N 0.65 0.52 -0.63 3.86 0.00 -1.96 -0.54 119.26 121.16 3i01 h ALA 168 Ca 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i01 h ALA 168 Cb 0.49 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3i01 h ALA 168 CO 0.01 -0.27 0.36 1.25 0.00 0.00 0.00 179.25 180.61 3i01 h LEU 169 N 0.28 0.77 -0.67 0.00 5.85 -1.40 -2.48 115.31 117.66 3i01 h LEU 169 Ca 0.22 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.96 3i01 h LEU 169 Cb 0.24 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 3i01 h LEU 169 CO -0.25 0.62 0.30 0.00 -0.34 0.00 0.00 178.44 178.77 3i01 h ALA 170 N 1.18 0.91 -0.02 1.25 0.00 -0.34 -0.90 119.26 121.34 3i01 h ALA 170 Ca 0.22 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3i01 h ALA 170 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i01 h ALA 170 CO -0.04 -0.12 -0.05 -0.22 0.00 0.00 0.00 179.25 178.82 3i01 h LYS 171 N 0.51 -0.08 -0.85 0.00 3.64 -0.86 -0.64 116.57 118.29 3i01 h LYS 171 Ca 0.34 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.76 3i01 h LYS 171 Cb 0.40 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 3i01 h LYS 171 CO -0.30 -0.06 0.56 0.82 -2.27 0.00 0.00 179.45 178.21 3i01 h ILE 172 N -0.09 1.13 -0.00 2.00 2.04 -1.13 -2.14 117.51 119.32 3i01 h ILE 172 Ca 0.03 -0.36 -0.20 0.00 1.00 0.00 0.00 64.86 65.33 3i01 h ILE 172 Cb 0.12 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3i01 h ILE 172 CO -0.07 0.19 -0.88 0.58 0.00 0.00 0.00 178.15 177.97 3i01 h VAL 173 N 1.04 1.46 -0.11 1.67 2.07 -0.77 -1.84 116.25 119.76 3i01 h VAL 173 Ca 0.34 -2.53 -0.17 0.00 0.82 0.00 0.00 66.70 65.16 3i01 h VAL 173 Cb 0.05 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3i01 h VAL 173 CO -0.10 0.74 -0.66 0.07 0.02 0.00 0.00 177.57 177.64 3i01 h LYS 174 N 0.15 0.45 0.32 1.57 2.10 -0.93 0.05 116.57 120.29 3i01 h LYS 174 Ca -0.05 -0.33 -0.01 0.00 -2.00 0.00 0.00 60.65 58.26 3i01 h LYS 174 Cb 1.50 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.88 3i01 h LYS 174 CO 0.14 0.96 -0.23 1.49 -2.00 0.00 0.00 179.45 179.80 3i01 h GLU 175 N 0.32 -0.53 -0.79 0.07 4.81 -1.40 -1.33 114.58 115.73 3i01 h GLU 175 Ca -0.02 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3i01 h GLU 175 Cb 1.22 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.64 3i01 h GLU 175 CO 0.12 -0.35 0.42 -0.07 -0.73 0.00 0.00 179.01 178.39 3i01 h LEU 176 N -0.55 0.56 -1.00 1.64 3.38 -1.24 -1.78 115.31 116.32 3i01 h LEU 176 Ca -0.03 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3i01 h LEU 176 Cb 0.47 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3i01 h LEU 176 CO 0.00 0.30 0.03 0.24 0.09 0.00 0.00 178.44 179.10 3i01 h MET 177 N 0.68 0.74 0.00 1.13 2.86 -0.96 -1.90 114.93 117.48 3i01 h MET 177 Ca 0.39 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3i01 h MET 177 Cb 0.43 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3i01 h MET 177 CO -0.28 0.74 -0.04 0.78 1.06 0.00 0.00 176.91 179.16 3i01 h GLY 178 N 0.95 0.00 -1.14 8.32 0.00 -0.42 -2.32 103.07 108.45 3i01 h GLY 178 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3i01 h GLY 178 CO 0.01 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.58 3i01 n MET 179 N -4.41 1.92 -1.07 4.80 2.81 -0.77 -4.73 117.12 115.67 3i01 n MET 179 Ca -0.03 -1.37 -0.02 0.00 -1.81 0.00 0.00 57.70 54.47 3i01 n MET 179 Cb 0.13 -1.43 -0.01 0.00 -0.71 0.00 0.00 33.22 31.19 3i01 n MET 179 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i01 n GLY 180 N 1.23 0.57 3.75 3.03 0.00 -0.87 -4.41 105.19 108.48 3i01 n GLY 180 Ca 0.17 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.05 3.05 0.06 1.61 0.40 -0.87 -4.09 117.98 116.09 3i01 s PHE 181 Ca 0.00 1.12 -0.31 0.00 -0.60 0.00 0.00 56.93 57.14 3i01 s PHE 181 Cb 0.00 -3.77 -0.06 0.00 0.51 0.00 0.00 43.02 39.70 3i01 s PHE 181 CO 0.00 -2.42 1.24 1.41 0.70 0.00 0.00 175.22 176.15 3i01 s MET 182 N -0.58 4.40 0.08 0.44 -2.45 -0.60 -4.74 119.30 115.85 3i01 s MET 182 Ca 0.57 1.83 0.05 0.00 -1.25 0.00 0.00 55.69 56.89 3i01 s MET 182 Cb -0.41 -3.36 -0.04 0.00 1.25 0.00 0.00 34.83 32.28 3i01 s MET 182 CO 0.44 -0.32 -0.05 -0.51 1.05 0.00 0.00 175.02 175.64 3i01 s LEU 183 N 1.22 3.27 -0.07 4.11 1.43 0.00 -1.32 118.68 127.33 3i01 s LEU 183 Ca 0.60 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3i01 s LEU 183 Cb -0.30 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3i01 s LEU 183 CO 0.29 0.19 -0.11 -0.36 0.23 0.00 0.00 176.35 176.60 3i01 s PHE 184 N -1.23 1.41 -0.05 0.29 0.40 -0.12 -0.91 117.98 117.77 3i01 s PHE 184 Ca 0.23 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 3i01 s PHE 184 Cb -0.11 -1.08 -0.00 0.00 0.51 0.00 0.00 43.02 42.34 3i01 s PHE 184 CO 0.15 -0.33 -0.19 0.42 0.70 0.00 0.00 175.22 175.98 3i01 s ILE 185 N 0.93 1.55 -0.03 0.64 1.01 -0.27 -0.51 121.20 124.52 3i01 s ILE 185 Ca -0.10 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 3i01 s ILE 185 Cb -0.15 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.01 3i01 s ILE 185 CO 0.01 0.44 0.07 0.00 0.00 0.00 0.00 174.94 175.46 3i01 n ASP 187 N 3.84 0.00 0.31 0.00 8.00 -0.25 -1.15 116.55 127.31 3i01 n ASP 187 Ca -0.23 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.47 3i01 n ASP 187 Cb 0.53 0.00 1.03 0.00 -0.02 0.00 0.00 41.12 42.66 3i01 n ASP 187 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3i01 h GLU 188 N 0.00 0.00 -0.62 -1.24 3.07 -1.86 0.02 114.58 113.94 3i01 h GLU 188 Ca 0.00 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 3i01 h GLU 188 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3i01 h GLU 188 CO 0.00 0.01 0.44 0.00 -1.40 0.00 0.00 179.01 178.06 3i01 h ALA 189 N 1.99 2.45 0.48 3.43 0.00 -1.32 -0.11 119.26 126.18 3i01 h ALA 189 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3i01 h ALA 189 Cb 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i01 h ALA 189 CO 0.00 -0.63 -0.32 0.28 0.00 0.00 0.00 179.25 178.59 3i01 h VAL 190 N 0.09 0.35 -0.10 0.00 2.07 -1.24 -1.98 116.25 115.45 3i01 h VAL 190 Ca 0.30 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.72 3i01 h VAL 190 Cb 1.05 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3i01 h VAL 190 CO -0.03 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.84 3i01 h GLU 191 N -0.77 0.21 -0.27 1.57 3.07 -1.41 -1.61 114.58 115.37 3i01 h GLU 191 Ca -0.05 -0.10 0.04 0.00 -0.50 0.00 0.00 59.36 58.75 3i01 h GLU 191 Cb 0.64 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.51 3i01 h GLU 191 CO 0.04 0.58 0.05 1.96 -1.40 0.00 0.00 179.01 180.24 3i01 h GLN 192 N 0.18 0.15 -0.60 2.33 4.20 -1.01 -0.30 115.11 120.06 3i01 h GLN 192 Ca 0.02 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 3i01 h GLN 192 Cb 0.78 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3i01 h GLN 192 CO 0.06 0.10 0.06 -0.07 -0.67 0.00 0.00 178.83 178.31 3i01 h LEU 193 N 0.16 0.96 -0.43 1.46 3.38 -0.87 -2.98 115.31 116.98 3i01 h LEU 193 Ca 0.13 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 3i01 h LEU 193 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3i01 h LEU 193 CO -0.17 0.98 -0.43 -0.07 0.09 0.00 0.00 178.44 178.85 3i01 h LEU 194 N 0.93 0.91 -1.60 1.67 3.38 -1.08 -1.90 115.31 117.63 3i01 h LEU 194 Ca 0.18 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3i01 h LEU 194 Cb 0.46 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3i01 h LEU 194 CO 0.02 1.21 -0.17 1.05 0.09 0.00 0.00 178.44 180.63 3i01 h GLU 195 N 0.68 0.00 -0.46 1.13 4.11 -0.98 -1.77 114.58 117.29 3i01 h GLU 195 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3i01 h GLU 195 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3i01 h GLU 195 CO 0.10 0.17 0.00 0.39 0.07 0.00 0.00 179.01 179.74 3i01 n GLU 196 N -3.57 1.83 -2.34 1.06 -0.58 -0.96 -4.91 120.64 111.18 3i01 n GLU 196 Ca -0.01 -0.95 -0.21 0.00 -0.42 0.00 0.00 57.16 55.57 3i01 n GLU 196 Cb 0.32 -1.39 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 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 0.22 -5.92 -4.75 1.62 3.02 -0.67 -4.96 115.26 103.83 3i01 n ASN 197 Ca 0.09 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 3i01 n ASN 197 Cb 0.34 -4.94 -0.05 0.00 -0.61 0.00 0.00 39.78 34.51 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 -3.03 4.30 -0.01 2.41 0.11 -0.75 -5.00 120.40 118.43 3i01 s VAL 198 Ca 0.00 1.98 -0.30 0.00 -2.93 0.00 0.00 61.98 60.73 3i01 s VAL 198 Cb 0.00 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.53 3i01 s VAL 198 CO 0.00 0.44 1.16 -0.54 -3.33 0.00 0.00 175.10 172.83 3i01 s LYS 199 N -0.73 4.42 0.05 1.54 -0.14 -1.26 -4.58 119.74 119.03 3i01 s LYS 199 Ca 0.42 1.66 0.01 0.00 -1.36 0.00 0.00 55.97 56.69 3i01 s LYS 199 Cb -0.24 -3.46 -0.03 0.00 -1.68 0.00 0.00 37.83 32.41 3i01 s LYS 199 CO 0.30 -0.31 -0.05 -0.51 -0.76 0.00 0.00 175.35 174.02 3i01 s LEU 200 N 1.59 2.35 0.00 3.17 1.43 -1.26 -4.93 118.68 121.04 3i01 s LEU 200 Ca 0.56 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3i01 s LEU 200 Cb -0.26 0.02 0.00 0.00 0.03 0.00 0.00 46.19 45.99 3i01 s LEU 200 CO 0.25 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.07 3i01 n GLY 201 N 0.92 3.38 0.28 -3.19 0.00 0.29 -4.84 105.19 102.03 3i01 n GLY 201 Ca -0.19 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.18 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 0.92 0.51 0.00 -0.61 2.04 -1.81 -0.53 117.51 118.03 3i01 h ILE 202 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3i01 h ILE 202 Cb 0.00 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3i01 h ILE 202 CO 0.00 0.06 0.00 0.44 0.00 0.00 0.00 178.15 178.65 3i01 h ASP 203 N 0.30 0.00 -0.22 1.72 3.32 -1.90 -3.06 116.42 116.58 3i01 h ASP 203 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3i01 h ASP 203 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3i01 h ASP 203 CO -0.52 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.78 3i01 n TYR 204 N -2.48 0.29 -2.28 4.55 4.01 -0.22 -3.65 117.16 117.38 3i01 n TYR 204 Ca -0.00 -0.39 -0.14 0.00 -0.16 0.00 0.00 57.90 57.21 3i01 n TYR 204 Cb 0.13 -0.02 -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 0.35 -0.55 -3.73 -0.72 5.41 -1.15 -4.50 119.36 114.46 3i01 n ILE 205 Ca 0.08 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.54 3i01 n ILE 205 Cb 0.35 -1.84 -0.14 0.00 -0.71 0.00 0.00 39.64 37.31 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 -2.60 1.87 -0.50 -1.39 0.00 -1.12 -0.82 121.76 117.20 3i01 s ALA 206 Ca 0.00 -2.14 -0.19 0.00 0.00 0.00 0.00 51.96 49.64 3i01 s ALA 206 Cb 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.42 3i01 s ALA 206 CO 0.00 -1.86 0.60 0.71 0.00 0.00 0.00 175.76 175.22 3i01 s TYR 207 N 1.00 3.07 -0.43 0.00 2.02 -0.09 -0.55 117.35 122.38 3i01 s TYR 207 Ca 0.14 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.97 3i01 s TYR 207 Cb -0.21 -3.51 0.02 0.00 -0.40 0.00 0.00 41.96 37.86 3i01 s TYR 207 CO -0.12 -1.01 1.27 -1.25 -1.57 0.00 0.00 175.55 172.87 3i01 s PRO 208 N 2.53 3.69 0.08 -1.71 0.05 -1.26 -1.11 135.00 137.27 3i01 s PRO 208 Ca 0.14 0.81 -0.07 0.00 0.05 0.00 0.00 61.00 61.93 3i01 s PRO 208 Cb -0.20 -3.95 -0.24 0.00 0.05 0.00 0.00 34.50 30.16 3i01 s PRO 208 CO 0.11 -1.42 1.16 -0.07 0.05 0.00 0.00 177.00 176.83 3i01 h LEU 209 N 11.59 0.57 0.00 -3.56 3.38 -0.54 -0.81 115.31 125.95 3i01 h LEU 209 Ca -0.25 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3i01 h LEU 209 Cb 1.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3i01 h LEU 209 CO 1.10 1.40 0.00 0.61 0.09 0.00 0.00 178.44 181.64 3i01 n GLY 210 N 1.38 0.39 3.29 0.83 0.00 -1.25 -3.03 105.19 106.79 3i01 n GLY 210 Ca -0.10 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 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 1.78 1.97 1.61 0.02 -1.26 -1.09 114.94 113.97 3i01 s ASN 211 Ca 0.00 -1.13 0.00 0.00 -1.02 0.00 0.00 52.86 50.71 3i01 s ASN 211 Cb 0.00 0.01 0.00 0.00 0.02 0.00 0.00 41.25 41.28 3i01 s ASN 211 CO 0.00 -0.44 0.00 0.33 0.02 0.00 0.00 177.10 177.01 3i01 n PHE 212 N -0.31 0.00 0.48 2.20 7.35 -1.26 -0.41 117.46 125.51 3i01 n PHE 212 Ca -0.07 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.71 3i01 n PHE 212 Cb 0.62 0.00 0.39 0.00 0.35 0.00 0.00 39.48 40.85 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 0.88 0.34 -2.13 -2.24 -1.26 -2.41 114.28 107.47 3i01 n THR 213 Ca 0.00 0.22 0.05 0.00 -2.27 0.00 0.00 64.05 62.04 3i01 n THR 213 Cb 0.00 -1.03 0.21 0.00 -2.10 0.00 0.00 70.33 67.41 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 -1.80 0.01 -0.00 -0.78 3.00 0.45 -1.49 117.38 116.76 3i01 n GLN 214 Ca 0.03 0.33 0.22 0.00 -0.01 0.00 0.00 57.00 57.56 3i01 n GLN 214 Cb 0.21 -1.50 0.72 0.00 0.00 0.00 0.00 30.24 29.66 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 0.59 0.00 5.09 6.09 -1.67 -0.48 117.51 127.13 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 0.17 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.14 3i01 h ILE 215 CO 0.00 0.00 0.00 1.62 -3.07 0.00 0.00 178.15 176.70 3i01 h VAL 216 N 0.00 0.00 0.00 2.19 3.04 -1.54 -1.01 116.25 118.93 3i01 h VAL 216 Ca 0.26 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3i01 h VAL 216 Cb 1.15 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 3i01 h VAL 216 CO -0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.97 3i01 n HIS 217 N -2.55 0.00 0.11 3.17 8.25 -0.19 -0.23 115.22 123.79 3i01 n HIS 217 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 3i01 n HIS 217 Cb 0.23 -0.24 -0.15 0.00 1.12 0.00 0.00 29.99 30.95 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 3.24 0.01 -0.16 -1.41 0.00 -1.36 -3.28 119.26 116.30 3i01 h ALA 218 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 54.91 53.84 3i01 h ALA 218 Cb 0.19 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i01 h ALA 218 CO 0.00 0.88 -0.35 0.00 0.00 0.00 0.00 179.25 179.78 3i01 h ALA 219 N 0.29 0.25 0.00 0.00 0.00 -1.27 -1.84 119.26 116.70 3i01 h ALA 219 Ca -0.24 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 3i01 h ALA 219 Cb 2.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 3i01 h ALA 219 CO 0.23 0.31 -0.06 -2.95 0.00 0.00 0.00 179.25 176.78 3i01 h ASN 220 N 0.14 0.00 0.54 0.00 7.08 -0.80 -1.47 115.58 121.07 3i01 h ASN 220 Ca 0.00 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 3i01 h ASN 220 Cb 0.95 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.20 3i01 h ASN 220 CO 0.08 0.06 -0.26 0.22 -2.08 0.00 0.00 177.43 175.45 3i01 h TYR 221 N 0.00 -0.67 -0.67 4.14 5.03 -1.58 -2.93 116.97 120.29 3i01 h TYR 221 Ca -0.00 -0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.43 3i01 h TYR 221 Cb 0.66 0.22 -0.13 0.00 1.55 0.00 0.00 36.73 39.04 3i01 h TYR 221 CO 0.00 -0.42 -0.17 0.00 -1.32 0.00 0.00 178.16 176.26 3i01 h ALA 222 N -1.41 0.45 0.00 1.82 0.00 -1.24 -0.99 119.26 117.89 3i01 h ALA 222 Ca -0.07 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3i01 h ALA 222 Cb 0.55 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i01 h ALA 222 CO 0.12 -0.42 -0.13 -0.07 0.00 0.00 0.00 179.25 178.75 3i01 h LEU 223 N 0.00 0.00 -0.63 0.00 3.38 -1.37 -2.68 115.31 114.01 3i01 h LEU 223 Ca 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 3i01 h LEU 223 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3i01 h LEU 223 CO -0.69 0.13 0.25 0.03 0.09 0.00 0.00 178.44 178.25 3i01 h ARG 224 N 0.00 0.94 -0.92 1.13 3.08 -0.98 -3.18 114.38 114.46 3i01 h ARG 224 Ca -0.00 -0.17 0.26 0.00 0.07 0.00 0.00 59.98 60.14 3i01 h ARG 224 Cb 0.27 -0.15 -0.16 0.00 0.08 0.00 0.00 29.97 30.01 3i01 h ARG 224 CO 0.02 0.79 0.17 0.00 -1.07 0.00 0.00 179.97 179.88 3i01 h ALA 225 N 1.10 1.28 0.01 0.04 0.00 -1.46 0.25 119.26 120.48 3i01 h ALA 225 Ca 0.21 0.27 -0.20 0.00 0.00 0.00 0.00 54.91 55.19 3i01 h ALA 225 Cb 0.21 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3i01 h ALA 225 CO -0.02 -0.54 -0.96 0.78 0.00 0.00 0.00 179.25 178.51 3i01 h GLY 226 N 0.11 0.06 1.96 0.00 0.00 -1.70 -1.36 103.07 102.14 3i01 h GLY 226 Ca 0.58 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 3i01 h GLY 226 CO -0.76 0.11 -0.64 -0.33 0.00 0.00 0.00 176.54 174.92 3i01 h MET 227 N 0.02 0.04 0.00 4.80 2.07 -1.23 -0.53 114.93 120.10 3i01 h MET 227 Ca -0.03 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 3i01 h MET 227 Cb 1.67 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 31.40 3i01 h MET 227 CO 0.13 0.66 0.00 -1.33 1.07 0.00 0.00 176.91 177.44 3i01 n MET 228 N -3.79 0.00 -0.13 1.72 2.81 0.76 -3.68 117.12 114.80 3i01 n MET 228 Ca -0.01 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.76 3i01 n MET 228 Cb 0.63 -0.36 -0.02 0.00 -0.71 0.00 0.00 33.22 32.76 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 0.96 0.00 2.03 0.04 -1.47 -2.57 116.94 115.94 3i01 h PHE 229 Ca 0.00 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.52 3i01 h PHE 229 Cb 0.00 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 37.93 3i01 h PHE 229 CO 0.00 1.01 0.00 0.78 -0.60 0.00 0.00 178.31 179.50 3i01 h GLY 230 N 0.64 0.00 -0.37 -1.45 0.00 -1.38 -3.31 103.07 97.19 3i01 h GLY 230 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 3i01 h GLY 230 CO 0.06 0.00 -0.15 0.61 0.00 0.00 0.00 176.54 177.07 3i01 n GLY 231 N 0.47 0.88 3.68 4.60 0.00 -0.88 -4.82 105.19 109.11 3i01 n GLY 231 Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.96 3.64 0.09 1.61 1.01 -0.26 -4.89 120.40 119.65 3i01 s VAL 232 Ca 0.00 0.94 -0.35 0.00 0.00 0.00 0.00 61.98 62.57 3i01 s VAL 232 Cb 0.00 -3.60 -0.14 0.00 0.00 0.00 0.00 36.38 32.63 3i01 s VAL 232 CO 0.00 -0.04 1.58 0.41 0.00 0.00 0.00 175.10 177.05 3i01 n THR 233 N 5.01 0.10 -1.67 3.92 -1.04 -1.26 -4.37 114.28 114.96 3i01 n THR 233 Ca 0.15 -0.02 -0.49 0.00 -2.04 0.00 0.00 64.05 61.65 3i01 n THR 233 Cb 0.43 -1.41 -0.05 0.00 -1.82 0.00 0.00 70.33 67.48 3i01 n THR 233 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3i01 n PRO 234 N 3.76 1.96 0.00 -2.82 -0.02 -1.26 -1.76 135.00 134.86 3i01 n PRO 234 Ca 0.18 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3i01 n PRO 234 Cb 0.26 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 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 3.79 0.95 3.20 -1.23 0.00 0.17 -4.50 105.19 107.58 3i01 n GLY 235 Ca 0.20 0.00 -0.41 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 -1.72 3.99 -0.19 4.61 0.00 -0.72 -4.54 120.51 121.94 3i01 n ALA 236 Ca 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 53.44 49.76 3i01 n ALA 236 Cb 0.00 -3.57 0.05 0.00 0.00 0.00 0.00 19.45 15.93 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 7.35 -0.01 -0.31 0.00 2.43 -1.79 -0.32 114.38 121.73 3i01 h ARG 237 Ca 0.46 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.60 3i01 h ARG 237 Cb 0.77 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3i01 h ARG 237 CO 1.66 -0.01 0.11 1.49 -1.51 0.00 0.00 179.97 181.71 3i01 h GLU 238 N -0.01 0.48 -0.50 0.20 4.22 -1.92 -1.41 114.58 115.65 3i01 h GLU 238 Ca 0.28 -0.10 0.04 0.00 0.08 0.00 0.00 59.36 59.65 3i01 h GLU 238 Cb 0.43 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3i01 h GLU 238 CO -0.60 0.52 0.26 0.93 -2.18 0.00 0.00 179.01 177.94 3i01 h GLU 239 N 0.35 0.50 -0.31 1.92 5.08 -1.84 0.88 114.58 121.17 3i01 h GLU 239 Ca 0.10 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3i01 h GLU 239 Cb 0.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3i01 h GLU 239 CO -0.00 0.33 0.20 1.96 -1.00 0.00 0.00 179.01 180.50 3i01 h GLN 240 N 0.52 0.40 -0.71 2.33 1.08 -0.74 -1.18 115.11 116.81 3i01 h GLN 240 Ca 0.21 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 3i01 h GLN 240 Cb 0.10 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 3i01 h GLN 240 CO -0.13 0.26 0.18 0.00 -0.95 0.00 0.00 178.83 178.18 3i01 h ARG 241 N 0.41 1.13 -0.23 1.46 3.08 -1.03 -1.60 114.38 117.60 3i01 h ARG 241 Ca 0.12 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.92 3i01 h ARG 241 Cb -0.04 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3i01 h ARG 241 CO -0.03 1.00 0.05 0.22 -1.07 0.00 0.00 179.97 180.13 3i01 h ASP 242 N 1.07 0.02 -0.39 7.04 3.58 -0.51 -1.55 116.42 125.68 3i01 h ASP 242 Ca 0.22 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.78 3i01 h ASP 242 Cb 0.37 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.39 3i01 h ASP 242 CO 0.00 0.04 -0.07 0.22 -2.88 0.00 0.00 179.24 176.55 3i01 h TYR 243 N 0.14 -0.16 0.06 0.28 5.03 -0.92 -0.74 116.97 120.65 3i01 h TYR 243 Ca 0.10 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.47 3i01 h TYR 243 Cb 0.09 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 3i01 h TYR 243 CO -0.14 -0.15 -0.31 1.96 -1.32 0.00 0.00 178.16 178.20 3i01 h GLN 244 N 0.02 -0.48 -0.44 1.82 1.08 -0.97 0.39 115.11 116.54 3i01 h GLN 244 Ca 0.19 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.39 3i01 h GLN 244 Cb 0.28 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 3i01 h GLN 244 CO -0.38 -0.32 0.16 -0.09 -0.95 0.00 0.00 178.83 177.25 3i01 h ARG 245 N -0.50 0.63 0.00 1.46 9.65 -0.78 0.23 114.38 125.06 3i01 h ARG 245 Ca 0.05 -0.09 -0.23 0.00 -1.10 0.00 0.00 59.98 58.60 3i01 h ARG 245 Cb 0.56 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 3i01 h ARG 245 CO -0.23 0.53 -1.29 0.00 2.80 0.00 0.00 179.97 181.78 3i01 h ARG 246 N 0.62 0.00 0.00 0.20 3.08 -0.84 -3.41 114.38 114.03 3i01 h ARG 246 Ca 0.15 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 3i01 h ARG 246 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3i01 h ARG 246 CO -0.01 0.70 -1.39 0.54 -1.07 0.00 0.00 179.97 178.75 3i01 n ARG 247 N -3.18 1.46 -3.43 0.04 1.74 0.13 -4.90 116.66 108.53 3i01 n ARG 247 Ca -0.08 -0.04 -0.44 0.00 -0.77 0.00 0.00 57.85 56.52 3i01 n ARG 247 Cb 0.97 -1.17 -0.04 0.00 -1.02 0.00 0.00 32.46 31.19 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 -2.34 5.08 -1.51 0.55 -1.09 0.80 -4.97 121.20 117.72 3i01 s ILE 248 Ca -0.03 -2.43 -0.13 0.00 -2.23 0.00 0.00 60.65 55.83 3i01 s ILE 248 Cb 0.03 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3i01 s ILE 248 CO 0.29 -0.96 2.46 0.54 -1.23 0.00 0.00 174.94 176.04 3i01 n ARG 249 N 4.06 3.12 -4.21 2.79 3.00 -1.26 -4.69 116.66 119.47 3i01 n ARG 249 Ca 0.08 -2.47 -0.31 0.00 -0.01 0.00 0.00 57.85 55.14 3i01 n ARG 249 Cb 0.44 -3.13 -0.09 0.00 0.00 0.00 0.00 32.46 29.68 3i01 n ARG 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i01 s ALA 250 N 2.87 3.20 0.09 7.54 0.00 -1.26 -1.56 121.76 132.65 3i01 s ALA 250 Ca 0.54 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3i01 s ALA 250 Cb 0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 3i01 s ALA 250 CO -0.08 0.67 0.04 -0.59 0.00 0.00 0.00 175.76 175.80 3i01 s PHE 251 N -1.22 0.64 -0.16 0.00 -0.12 -0.92 -4.14 117.98 112.07 3i01 s PHE 251 Ca 0.23 -1.10 -0.01 0.00 -0.05 0.00 0.00 56.93 56.00 3i01 s PHE 251 Cb -0.11 -0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 41.87 3i01 s PHE 251 CO 0.15 -0.47 -0.10 0.08 -0.05 0.00 0.00 175.22 174.83 3i01 s VAL 252 N -3.97 3.18 -0.50 -2.49 1.01 -0.60 -1.78 120.40 115.24 3i01 s VAL 252 Ca 0.15 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 3i01 s VAL 252 Cb 0.07 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 34.13 3i01 s VAL 252 CO -0.04 0.50 0.65 -0.76 0.00 0.00 0.00 175.10 175.45 3i01 s LEU 253 N 0.68 4.82 -0.60 3.92 1.43 0.84 -0.63 118.68 129.13 3i01 s LEU 253 Ca -0.05 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.10 3i01 s LEU 253 Cb -0.15 -2.52 0.12 0.00 0.03 0.00 0.00 46.19 43.67 3i01 s LEU 253 CO 0.02 -0.90 0.64 -0.47 0.23 0.00 0.00 176.35 175.87 3i01 s TYR 254 N 2.77 3.15 -0.16 0.29 6.14 -0.39 -1.08 117.35 128.07 3i01 s TYR 254 Ca 0.17 -1.17 -0.08 0.00 0.64 0.00 0.00 57.07 56.63 3i01 s TYR 254 Cb -0.18 -3.92 -0.04 0.00 0.42 0.00 0.00 41.96 38.24 3i01 s TYR 254 CO 0.14 -1.17 0.10 -0.51 0.64 0.00 0.00 175.55 174.75 3i01 s LEU 255 N 2.08 4.09 0.00 6.97 1.43 -0.21 -2.62 118.68 130.42 3i01 s LEU 255 Ca 0.09 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3i01 s LEU 255 Cb -0.25 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 43.95 3i01 s LEU 255 CO 0.03 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3i01 n GLY 256 N 2.96 -3.65 3.57 -3.19 0.00 -0.97 -0.18 105.19 103.72 3i01 n GLY 256 Ca -0.18 -1.93 -0.51 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.32 0.99 -2.67 1.61 2.13 -1.26 -4.81 120.64 116.31 3i01 n GLU 257 Ca 0.00 0.35 -0.32 0.00 0.66 0.00 0.00 57.16 57.86 3i01 n GLU 257 Cb 0.00 -1.90 -0.04 0.00 0.27 0.00 0.00 31.44 29.77 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 0.11 3.43 0.04 4.31 3.76 -1.26 -4.94 115.29 120.73 3i01 s HIS 258 Ca 0.80 1.35 -0.03 0.00 -0.15 0.00 0.00 55.06 57.02 3i01 s HIS 258 Cb -0.95 -2.68 -0.02 0.00 1.11 0.00 0.00 32.58 30.05 3i01 s HIS 258 CO 0.50 -0.21 0.04 0.16 -0.85 0.00 0.00 174.74 174.38 3i01 s ASP 259 N -2.88 0.28 0.51 1.40 -4.77 -1.26 -5.06 116.67 104.89 3i01 s ASP 259 Ca 0.57 -0.66 0.19 0.00 -3.30 0.00 0.00 52.55 49.35 3i01 s ASP 259 Cb -0.10 0.20 1.27 0.00 -1.09 0.00 0.00 42.92 43.20 3i01 s ASP 259 CO 0.27 -0.50 2.07 0.00 0.70 0.00 0.00 175.17 177.71 3i01 h MET 260 N 3.70 0.07 0.15 2.11 -0.00 -1.97 -0.77 114.93 118.22 3i01 h MET 260 Ca -0.33 -0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.13 3i01 h MET 260 Cb 1.18 -0.02 0.01 0.00 -0.00 0.00 0.00 31.60 32.78 3i01 h MET 260 CO 0.53 0.05 -1.13 0.28 -0.00 0.00 0.00 176.91 176.64 3i01 h VAL 261 N 0.07 1.30 -0.85 -0.10 2.07 -1.88 -1.47 116.25 115.39 3i01 h VAL 261 Ca 0.14 -2.51 0.17 0.00 0.82 0.00 0.00 66.70 65.32 3i01 h VAL 261 Cb 0.45 3.00 -0.10 0.00 -1.52 0.00 0.00 31.29 33.12 3i01 h VAL 261 CO -0.01 0.73 0.41 0.11 0.02 0.00 0.00 177.57 178.82 3i01 h LYS 262 N -0.28 0.51 -0.40 1.57 1.57 -1.87 -0.92 116.57 116.76 3i01 h LYS 262 Ca -0.22 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 3i01 h LYS 262 Cb 1.76 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 3i01 h LYS 262 CO 0.13 0.34 -0.12 1.15 -0.57 0.00 0.00 179.45 180.38 3i01 h THR 263 N 0.53 1.28 -0.68 -0.16 2.02 -1.09 0.21 112.91 115.01 3i01 h THR 263 Ca 0.49 -1.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 3i01 h THR 263 Cb 0.79 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 3i01 h THR 263 CO -0.42 0.41 0.14 0.00 0.37 0.00 0.00 175.52 176.02 3i01 h ALA 264 N 0.83 0.90 -0.40 6.16 0.00 -0.98 -1.98 119.26 123.80 3i01 h ALA 264 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 264 Cb 0.66 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3i01 h ALA 264 CO 0.04 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.80 3i01 h ALA 265 N 1.07 0.99 -0.40 0.00 0.00 -0.69 -1.93 119.26 118.30 3i01 h ALA 265 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i01 h ALA 265 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i01 h ALA 265 CO 0.01 0.60 0.20 0.00 0.00 0.00 0.00 179.25 180.06 3i01 h ALA 266 N 1.17 1.61 0.00 0.00 0.00 -0.29 -1.56 119.26 120.19 3i01 h ALA 266 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i01 h ALA 266 Cb 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i01 h ALA 266 CO 0.04 0.32 0.00 0.74 0.00 0.00 0.00 179.25 180.35 3i01 h PHE 267 N 0.55 0.00 -0.40 0.00 0.04 -0.62 -2.40 116.94 114.11 3i01 h PHE 267 Ca 0.14 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.80 3i01 h PHE 267 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3i01 h PHE 267 CO 0.00 0.00 -0.21 0.78 -0.60 0.00 0.00 178.31 178.28 3i01 h GLY 268 N 2.75 0.85 0.77 -1.45 0.00 -0.72 -1.60 103.07 103.67 3i01 h GLY 268 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3i01 h GLY 268 CO 0.00 0.65 -0.20 0.00 0.00 0.00 0.00 176.54 176.99 3i01 h ALA 269 N 1.08 -0.42 -0.16 3.60 0.00 -1.34 -2.81 119.26 119.21 3i01 h ALA 269 Ca 0.10 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3i01 h ALA 269 Cb 0.72 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3i01 h ALA 269 CO 0.06 -0.76 -0.20 0.82 0.00 0.00 0.00 179.25 179.17 3i01 h ILE 270 N -0.44 0.49 -1.25 0.00 2.04 -1.39 -0.76 117.51 116.20 3i01 h ILE 270 Ca -0.00 0.00 0.44 0.00 1.00 0.00 0.00 64.86 66.30 3i01 h ILE 270 Cb 0.41 0.49 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 3i01 h ILE 270 CO -0.04 0.00 0.79 0.33 0.00 0.00 0.00 178.15 179.22 3i01 n PHE 271 N -5.34 0.74 1.01 1.37 7.35 -0.61 -0.64 117.46 121.33 3i01 n PHE 271 Ca -0.02 0.74 0.11 0.00 -0.76 0.00 0.00 57.45 57.52 3i01 n PHE 271 Cb 0.25 -1.17 -0.01 0.00 0.35 0.00 0.00 39.48 38.91 3i01 n PHE 271 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3i01 n THR 272 N -4.69 0.00 0.00 -2.13 -1.04 -0.38 -4.95 114.28 101.08 3i01 n THR 272 Ca 0.38 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 3i01 n THR 272 Cb 1.44 0.82 0.00 0.00 -1.82 0.00 0.00 70.33 70.77 3i01 n THR 272 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i01 n GLY 273 N 1.49 1.57 3.60 3.41 0.00 0.18 -3.91 105.19 111.53 3i01 n GLY 273 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 3.22 0.50 1.61 0.08 -0.69 -4.85 117.98 115.85 3i01 s PHE 274 Ca 0.00 -0.00 -0.19 0.00 0.12 0.00 0.00 56.93 56.85 3i01 s PHE 274 Cb 0.00 -2.16 -0.08 0.00 -0.57 0.00 0.00 43.02 40.21 3i01 s PHE 274 CO 0.00 0.01 1.03 -1.25 -0.10 0.00 0.00 175.22 174.91 3i01 s PRO 275 N 0.84 3.78 -0.17 0.24 0.04 -1.26 -3.08 135.00 135.39 3i01 s PRO 275 Ca 0.05 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 3i01 s PRO 275 Cb -0.13 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 3i01 s PRO 275 CO 0.02 -0.44 -0.13 0.08 0.04 0.00 0.00 177.00 176.57 3i01 s VAL 276 N -2.10 2.77 -0.18 -0.36 1.01 -0.43 -1.56 120.40 119.56 3i01 s VAL 276 Ca 0.66 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 3i01 s VAL 276 Cb -0.15 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3i01 s VAL 276 CO 0.22 0.50 -0.15 -0.63 0.00 0.00 0.00 175.10 175.04 3i01 s ILE 277 N 0.99 2.58 0.00 2.22 1.09 0.19 -2.58 121.20 125.69 3i01 s ILE 277 Ca -0.02 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.76 3i01 s ILE 277 Cb -0.15 -2.11 -0.04 0.00 -1.06 0.00 0.00 42.46 39.11 3i01 s ILE 277 CO -0.02 0.50 0.07 0.28 -0.10 0.00 0.00 174.94 175.67 3i01 s THR 278 N 1.16 4.65 -1.83 2.92 -1.32 -0.43 -1.26 115.64 119.52 3i01 s THR 278 Ca 0.01 -0.46 0.24 0.00 -1.21 0.00 0.00 61.69 60.27 3i01 s THR 278 Cb -0.14 -3.13 0.60 0.00 -1.51 0.00 0.00 72.50 68.32 3i01 s THR 278 CO -0.06 0.34 1.78 -0.90 -2.21 0.00 0.00 174.62 173.57 3i01 n ASP 279 N 1.15 0.00 -4.82 8.08 5.75 -1.08 -0.90 116.55 124.74 3i01 n ASP 279 Ca -0.13 -0.54 -0.37 0.00 -0.01 0.00 0.00 54.79 53.74 3i01 n ASP 279 Cb 0.53 -0.08 -0.06 0.00 -1.03 0.00 0.00 41.12 40.47 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 -2.17 4.18 0.23 0.11 -1.52 -1.26 -4.38 119.66 114.86 3i01 s GLN 280 Ca 0.32 0.75 -0.30 0.00 -1.95 0.00 0.00 55.36 54.18 3i01 s GLN 280 Cb 0.16 -3.00 -0.09 0.00 -0.22 0.00 0.00 33.01 29.87 3i01 s GLN 280 CO 0.30 0.48 1.14 -1.25 -0.25 0.00 0.00 175.29 175.71 3i01 s PRO 281 N -1.73 4.57 -0.06 2.91 0.04 -1.26 -4.58 135.00 134.88 3i01 s PRO 281 Ca 0.38 1.83 0.04 0.00 0.04 0.00 0.00 61.00 63.29 3i01 s PRO 281 Cb -0.17 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 3i01 s PRO 281 CO 0.20 0.07 -0.18 -0.51 0.04 0.00 0.00 177.00 176.63 3i01 s LEU 282 N -0.87 2.52 1.00 -3.56 1.43 -1.26 -5.08 118.68 112.85 3i01 s LEU 282 Ca 0.48 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3i01 s LEU 282 Cb -0.32 -1.50 0.19 0.00 0.03 0.00 0.00 46.19 44.59 3i01 s LEU 282 CO 0.39 0.29 1.09 -2.16 0.23 0.00 0.00 176.35 176.20 3i01 s PRO 283 N -0.44 0.39 0.45 1.29 0.04 -1.26 -4.88 135.00 130.60 3i01 s PRO 283 Ca 0.05 1.16 0.18 0.00 0.04 0.00 0.00 61.00 62.43 3i01 s PRO 283 Cb -0.12 -1.68 1.14 0.00 0.04 0.00 0.00 34.50 33.88 3i01 s PRO 283 CO 0.02 -2.93 1.93 0.93 0.04 0.00 0.00 177.00 176.99 3i01 h GLU 284 N -2.07 0.31 -0.64 4.56 5.08 -2.00 -1.60 114.58 118.22 3i01 h GLU 284 Ca -0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3i01 h GLU 284 Cb 1.29 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3i01 h GLU 284 CO 0.47 0.20 0.00 -0.40 -1.00 0.00 0.00 179.01 178.28 3i01 n ASP 285 N -4.45 4.52 -0.64 1.42 3.85 -1.26 -3.74 116.55 116.25 3i01 n ASP 285 Ca 0.14 -2.54 0.06 0.00 -0.71 0.00 0.00 54.79 51.73 3i01 n ASP 285 Cb 0.56 -0.59 0.16 0.00 -1.35 0.00 0.00 41.12 39.91 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 0.79 1.23 -4.08 0.11 4.76 -0.60 -2.74 118.16 117.64 3i01 n LYS 286 Ca 0.23 -2.89 -0.14 0.00 -2.87 0.00 0.00 58.31 52.64 3i01 n LYS 286 Cb 0.89 -1.31 -0.12 0.00 -1.84 0.00 0.00 35.03 32.66 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 -2.56 0.56 -0.18 1.97 1.03 -1.24 -4.82 119.66 114.41 3i01 s GLN 287 Ca 0.35 -0.78 -0.02 0.00 0.04 0.00 0.00 55.36 54.95 3i01 s GLN 287 Cb 0.34 -0.36 0.05 0.00 0.03 0.00 0.00 33.01 33.07 3i01 s GLN 287 CO -0.06 0.07 0.00 0.42 -2.54 0.00 0.00 175.29 173.18 3i01 s ILE 288 N -1.35 0.76 0.39 3.63 1.01 0.19 -4.59 121.20 121.24 3i01 s ILE 288 Ca -0.09 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 59.72 3i01 s ILE 288 Cb -0.10 -1.14 -0.11 0.00 0.01 0.00 0.00 42.46 41.12 3i01 s ILE 288 CO 0.01 -0.08 0.98 -2.65 0.00 0.00 0.00 174.94 173.20 3i01 n PRO 289 N 4.97 1.32 0.00 2.79 -0.02 -1.26 -0.20 135.00 142.60 3i01 n PRO 289 Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3i01 n PRO 289 Cb 0.47 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.71 0.00 -0.01 2.55 8.00 -1.26 -4.60 116.55 121.94 3i01 n ASP 290 Ca 0.09 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.59 3i01 n ASP 290 Cb 0.38 -1.10 -0.01 0.00 -0.02 0.00 0.00 41.12 40.37 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 -1.64 0.00 -3.16 1.24 7.02 -0.53 -4.69 117.44 115.68 3i01 n TRP 291 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 3i01 n TRP 291 Cb 0.00 -0.07 -0.01 0.00 -2.42 0.00 0.00 31.31 28.82 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 -2.04 -1.65 0.22 -5.99 2.19 0.72 -1.31 117.98 110.13 3i01 s PHE 292 Ca -0.01 0.47 -0.16 0.00 0.33 0.00 0.00 56.93 57.57 3i01 s PHE 292 Cb 0.00 0.30 0.01 0.00 -1.31 0.00 0.00 43.02 42.03 3i01 s PHE 292 CO 0.06 -1.07 0.52 -0.59 1.83 0.00 0.00 175.22 175.97 3i01 s PHE 293 N 2.16 0.05 -0.07 10.12 -0.12 -1.06 0.53 117.98 129.58 3i01 s PHE 293 Ca 0.15 -0.41 -0.13 0.00 -0.05 0.00 0.00 56.93 56.48 3i01 s PHE 293 Cb -0.05 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 3i01 s PHE 293 CO -0.13 -0.98 0.33 0.45 -0.05 0.00 0.00 175.22 174.85 3i01 s SER 294 N -2.93 6.63 -0.29 1.98 0.15 -1.26 -1.32 113.70 116.66 3i01 s SER 294 Ca 0.14 0.75 -0.03 0.00 0.70 0.00 0.00 55.95 57.51 3i01 s SER 294 Cb -0.01 -2.20 0.10 0.00 -1.71 0.00 0.00 66.02 62.19 3i01 s SER 294 CO 0.02 0.26 0.11 -0.69 1.20 0.00 0.00 173.24 174.15 3i01 s VAL 295 N -0.55 0.34 -0.16 4.45 1.01 -0.08 -4.93 120.40 120.48 3i01 s VAL 295 Ca 0.20 -1.01 0.16 0.00 0.00 0.00 0.00 61.98 61.34 3i01 s VAL 295 Cb -0.15 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3i01 s VAL 295 CO 0.09 -0.69 1.26 -0.33 0.00 0.00 0.00 175.10 175.43 3i01 h GLU 296 N 8.27 0.00 -6.63 2.72 5.08 -1.78 -3.35 114.58 118.89 3i01 h GLU 296 Ca -0.17 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.63 3i01 h GLU 296 Cb 1.02 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.20 3i01 h GLU 296 CO 0.45 0.39 0.96 0.34 -1.00 0.00 0.00 179.01 180.16 3i01 s ASP 297 N -6.20 6.51 0.55 1.42 2.15 -1.26 -4.88 116.67 114.96 3i01 s ASP 297 Ca 0.02 0.27 0.24 0.00 0.43 0.00 0.00 52.55 53.51 3i01 s ASP 297 Cb 0.08 -2.55 1.49 0.00 -0.30 0.00 0.00 42.92 41.64 3i01 s ASP 297 CO 0.76 -1.40 2.10 1.88 -0.17 0.00 0.00 175.17 178.35 3i01 h TYR 298 N 9.48 0.00 0.00 -5.34 -1.99 -1.99 -1.21 116.97 115.92 3i01 h TYR 298 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3i01 h TYR 298 Cb 1.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.79 3i01 h TYR 298 CO 1.01 0.00 0.00 -0.44 -0.00 0.00 0.00 178.16 178.73 3i01 h ASP 299 N 0.00 0.00 -0.02 3.88 3.45 -1.98 -3.22 116.42 118.54 3i01 h ASP 299 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3i01 h ASP 299 Cb 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3i01 h ASP 299 CO -0.00 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.96 3i01 n LYS 300 N -2.75 0.61 0.04 3.56 4.76 -0.48 -4.72 118.16 119.18 3i01 n LYS 300 Ca 0.02 -1.19 -0.12 0.00 -2.87 0.00 0.00 58.31 54.15 3i01 n LYS 300 Cb 0.33 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 32.25 3i01 n LYS 300 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3i01 h ILE 301 N 2.28 0.29 -0.10 -0.18 2.04 -1.52 0.17 117.51 120.49 3i01 h ILE 301 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3i01 h ILE 301 Cb 0.48 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3i01 h ILE 301 CO 0.00 0.00 0.05 0.58 0.00 0.00 0.00 178.15 178.78 3i01 h VAL 302 N -0.45 1.10 -0.25 1.67 2.07 -1.84 -0.93 116.25 117.62 3i01 h VAL 302 Ca 0.07 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3i01 h VAL 302 Cb 0.56 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3i01 h VAL 302 CO -0.30 0.09 0.12 -0.61 0.02 0.00 0.00 177.57 176.89 3i01 h GLN 303 N 0.05 0.25 -0.37 1.57 4.15 -1.81 -0.34 115.11 118.61 3i01 h GLN 303 Ca 0.03 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 3i01 h GLN 303 Cb 0.09 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 3i01 h GLN 303 CO -0.00 0.17 -0.10 0.82 -1.93 0.00 0.00 178.83 177.78 3i01 h ILE 304 N 0.26 1.24 -0.02 2.39 2.04 -0.39 -0.15 117.51 122.87 3i01 h ILE 304 Ca 0.10 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3i01 h ILE 304 Cb 0.03 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3i01 h ILE 304 CO -0.07 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.44 3i01 h ALA 305 N 1.30 0.03 -0.57 1.87 0.00 -0.73 0.08 119.26 121.25 3i01 h ALA 305 Ca 0.11 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3i01 h ALA 305 Cb 0.52 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3i01 h ALA 305 CO 0.03 -0.35 0.16 0.52 0.00 0.00 0.00 179.25 179.61 3i01 h MET 306 N -0.21 0.30 -0.24 0.00 2.86 -0.94 0.11 114.93 116.81 3i01 h MET 306 Ca 0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i01 h MET 306 Cb 0.25 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3i01 h MET 306 CO 0.00 0.20 0.13 0.93 1.06 0.00 0.00 176.91 179.23 3i01 h GLU 307 N 0.31 0.34 -0.46 1.72 5.08 -0.89 0.17 114.58 120.84 3i01 h GLU 307 Ca 0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3i01 h GLU 307 Cb 0.39 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3i01 h GLU 307 CO -0.34 0.31 0.30 1.15 -1.00 0.00 0.00 179.01 179.42 3i01 h THR 308 N 0.28 1.13 0.00 1.13 2.02 -0.77 -3.02 112.91 113.69 3i01 h THR 308 Ca 0.09 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 3i01 h THR 308 Cb 0.06 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3i01 h THR 308 CO -0.01 0.13 -0.37 -0.09 0.37 0.00 0.00 175.52 175.55 3i01 h ARG 309 N 0.62 0.00 0.00 6.66 9.65 -0.57 -3.48 114.38 127.27 3i01 h ARG 309 Ca 0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3i01 h ARG 309 Cb -0.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 3i01 h ARG 309 CO -0.03 0.37 0.00 0.41 2.80 0.00 0.00 179.97 183.51 3i01 n GLY 310 N -0.46 1.47 3.65 2.80 0.00 0.40 -5.01 105.19 108.04 3i01 n GLY 310 Ca -0.02 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.00 4.95 -0.04 -0.61 1.01 -0.14 -5.01 121.20 119.37 3i01 s ILE 311 Ca 0.00 1.31 0.07 0.00 0.00 0.00 0.00 60.65 62.03 3i01 s ILE 311 Cb 0.00 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3i01 s ILE 311 CO 0.00 0.04 -0.24 -0.54 0.00 0.00 0.00 174.94 174.19 3i01 s LYS 312 N 2.31 2.31 0.30 2.79 1.02 -1.26 -4.46 119.74 122.75 3i01 s LYS 312 Ca 0.31 -0.89 -0.08 0.00 0.02 0.00 0.00 55.97 55.32 3i01 s LYS 312 Cb -0.16 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 3i01 s LYS 312 CO 0.09 0.51 0.49 -0.48 -0.92 0.00 0.00 175.35 175.04 3i01 s LEU 313 N -0.47 0.63 0.33 3.17 0.05 -1.26 -5.04 118.68 116.09 3i01 s LEU 313 Ca 0.06 -1.22 0.00 0.00 0.05 0.00 0.00 54.13 53.02 3i01 s LEU 313 Cb -0.11 1.69 0.00 0.00 -2.05 0.00 0.00 46.19 45.71 3i01 s LEU 313 CO 0.01 -1.26 0.00 0.41 -0.55 0.00 0.00 176.35 174.96 3i01 n THR 314 N -0.47 0.00 0.00 5.48 -1.04 -1.26 -5.10 114.28 111.89 3i01 n THR 314 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3i01 n THR 314 Cb 0.62 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 3i01 n THR 314 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i01 n LYS 315 N -3.42 0.00 -2.98 -2.82 4.01 -1.26 -2.24 118.16 109.45 3i01 n LYS 315 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 3i01 n LYS 315 Cb 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.50 3i01 n LYS 315 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 3i01 n ILE 316 N 0.00 -0.41 -1.73 -0.18 0.00 -1.26 -5.08 119.36 110.70 3i01 n ILE 316 Ca 0.00 -2.38 -0.67 0.00 0.00 0.00 0.00 62.75 59.69 3i01 n ILE 316 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 39.64 39.45 3i01 n ILE 316 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i01 n LYS 317 N 2.11 0.04 -1.55 9.51 3.00 -0.95 -4.80 118.16 125.52 3i01 n LYS 317 Ca 0.18 0.01 -0.31 0.00 -0.00 0.00 0.00 58.31 58.20 3i01 n LYS 317 Cb 0.56 -1.52 0.07 0.00 0.00 0.00 0.00 35.03 34.14 3i01 n LYS 317 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i01 s LEU 318 N 2.81 2.92 -0.11 3.14 1.43 -1.26 -5.05 118.68 122.56 3i01 s LEU 318 Ca 1.04 1.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.65 3i01 s LEU 318 Cb -1.47 -4.27 0.02 0.00 0.03 0.00 0.00 46.19 40.50 3i01 s LEU 318 CO 0.80 -1.67 -0.11 1.51 0.23 0.00 0.00 176.35 177.11 3i01 s ASP 319 N -3.82 2.21 0.10 2.29 3.84 -1.26 -5.03 116.67 114.99 3i01 s ASP 319 Ca 0.59 -0.35 -0.01 0.00 -0.00 0.00 0.00 52.55 52.78 3i01 s ASP 319 Cb -0.14 -0.93 -0.04 0.00 -1.38 0.00 0.00 42.92 40.43 3i01 s ASP 319 CO 0.55 -0.06 0.02 -0.76 -0.00 0.00 0.00 175.17 174.93 3i01 s LEU 320 N 1.33 2.03 0.00 2.11 1.43 -1.26 -5.02 118.68 119.30 3i01 s LEU 320 Ca -0.01 -1.14 0.25 0.00 -1.03 0.00 0.00 54.13 52.21 3i01 s LEU 320 Cb -0.14 0.25 1.32 0.00 0.03 0.00 0.00 46.19 47.65 3i01 s LEU 320 CO -0.05 -0.68 1.86 -0.81 0.23 0.00 0.00 176.35 176.90 3i01 n PRO 321 N -0.03 0.43 -4.36 1.29 -0.04 -1.26 -4.82 135.00 126.21 3i01 n PRO 321 Ca -0.08 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 3i01 n PRO 321 Cb 0.63 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 3i01 n PRO 321 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i01 s ILE 322 N -2.49 3.04 0.69 0.52 -4.36 -1.26 -4.72 121.20 112.61 3i01 s ILE 322 Ca 0.26 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.45 3i01 s ILE 322 Cb 0.17 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.28 3i01 s ILE 322 CO 0.37 -0.36 1.06 0.21 0.24 0.00 0.00 174.94 176.46 3i01 s ASN 323 N -3.52 5.41 -0.20 4.36 3.84 -1.26 -4.87 114.94 118.69 3i01 s ASN 323 Ca 0.30 1.64 -0.08 0.00 0.21 0.00 0.00 52.86 54.93 3i01 s ASN 323 Cb -0.06 -2.50 0.09 0.00 -0.55 0.00 0.00 41.25 38.23 3i01 s ASN 323 CO 0.17 -1.42 0.44 0.12 -2.79 0.00 0.00 177.10 173.62 3i01 s PHE 324 N -2.99 -0.81 0.00 0.43 5.36 -1.26 -0.17 117.98 118.55 3i01 s PHE 324 Ca 0.59 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 58.11 3i01 s PHE 324 Cb -0.14 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 3i01 s PHE 324 CO 0.53 -0.48 0.00 0.41 -1.46 0.00 0.00 175.22 174.23 3i01 n GLY 325 N 5.23 -0.68 0.32 13.12 0.00 -0.53 -4.54 105.19 118.11 3i01 n GLY 325 Ca -0.11 -1.03 0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -0.17 1.61 0.13 -1.87 -2.81 132.00 128.89 3i01 h PRO 326 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3i01 h PRO 326 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3i01 h PRO 326 CO 0.00 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 177.76 3i01 h ALA 327 N 1.99 1.68 -0.01 -0.56 0.00 -1.83 -2.14 119.26 118.38 3i01 h ALA 327 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i01 h ALA 327 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i01 h ALA 327 CO 0.00 0.25 -0.03 1.19 0.00 0.00 0.00 179.25 180.65 3i01 n PHE 328 N -4.38 0.00 -0.22 0.00 3.01 -1.06 -4.10 117.46 110.71 3i01 n PHE 328 Ca -0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 3i01 n PHE 328 Cb 0.18 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 39.66 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 2.35 0.96 -0.08 -1.08 4.81 -1.41 -2.93 114.58 117.20 3i01 h GLU 329 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3i01 h GLU 329 Cb 0.53 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3i01 h GLU 329 CO 0.00 0.87 0.00 0.41 -0.73 0.00 0.00 179.01 179.56 3i01 n GLY 330 N -0.66 -0.33 3.66 1.92 0.00 -1.24 -4.85 105.19 103.69 3i01 n GLY 330 Ca 0.03 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.90 0.90 -0.00 1.61 -1.05 -1.11 -4.89 118.70 112.25 3i01 s GLU 331 Ca 0.32 1.17 0.07 0.00 -0.15 0.00 0.00 54.97 56.39 3i01 s GLU 331 Cb 0.16 -1.74 -0.02 0.00 -0.44 0.00 0.00 34.13 32.09 3i01 s GLU 331 CO 0.26 -2.59 -0.22 -1.12 0.95 0.00 0.00 175.26 172.54 3i01 s SER 332 N -2.94 2.57 -0.35 0.83 0.01 -1.26 -5.02 113.70 107.55 3i01 s SER 332 Ca 0.65 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 3i01 s SER 332 Cb -0.21 -0.27 0.07 0.00 0.21 0.00 0.00 66.02 65.82 3i01 s SER 332 CO 0.59 0.25 0.10 -0.63 0.41 0.00 0.00 173.24 173.96 3i01 s ILE 333 N -0.57 3.28 0.55 1.44 1.01 -1.26 -5.08 121.20 120.56 3i01 s ILE 333 Ca 0.08 -1.57 -0.21 0.00 0.00 0.00 0.00 60.65 58.96 3i01 s ILE 333 Cb -0.09 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 3i01 s ILE 333 CO -0.00 -0.33 1.23 -0.13 0.00 0.00 0.00 174.94 175.70 3i01 s ARG 334 N 1.25 3.23 0.33 2.79 0.52 -1.26 -4.79 118.95 121.02 3i01 s ARG 334 Ca 0.00 1.89 0.09 0.00 -0.52 0.00 0.00 55.73 57.19 3i01 s ARG 334 Cb -0.21 -2.13 0.96 0.00 0.52 0.00 0.00 34.95 34.10 3i01 s ARG 334 CO -0.01 -1.01 1.56 1.63 0.02 0.00 0.00 175.30 177.48 3i01 n LYS 335 N -1.16 -0.07 0.21 3.54 4.76 -1.26 -0.49 118.16 123.69 3i01 n LYS 335 Ca 0.11 1.45 0.10 0.00 -2.87 0.00 0.00 58.31 57.10 3i01 n LYS 335 Cb 0.48 -2.40 0.33 0.00 -1.84 0.00 0.00 35.03 31.61 3i01 n LYS 335 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3i01 h GLY 336 N 0.00 0.00 0.07 0.72 0.00 -2.03 -3.02 103.07 98.81 3i01 h GLY 336 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.02 3i01 h GLY 336 CO -0.87 0.00 -1.36 1.22 0.00 0.00 0.00 176.54 175.53 3i01 n ASP 337 N -3.23 0.59 -4.70 0.19 10.43 0.30 -4.97 116.55 115.17 3i01 n ASP 337 Ca 0.02 -0.55 -0.42 0.00 2.57 0.00 0.00 54.79 56.41 3i01 n ASP 337 Cb 0.50 1.33 -0.03 0.00 1.84 0.00 0.00 41.12 44.77 3i01 n ASP 337 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3i01 s MET 338 N -3.21 4.34 0.08 -1.24 -2.45 0.35 0.64 119.30 117.81 3i01 s MET 338 Ca 0.02 1.83 0.12 0.00 -1.25 0.00 0.00 55.69 56.41 3i01 s MET 338 Cb 0.15 -3.50 -0.17 0.00 1.25 0.00 0.00 34.83 32.57 3i01 s MET 338 CO 0.88 -0.46 1.02 -0.92 1.05 0.00 0.00 175.02 176.59 3i01 h TYR 339 N 7.41 0.00 -1.80 4.11 3.20 -1.06 -3.33 116.97 125.51 3i01 h TYR 339 Ca -0.38 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.50 3i01 h TYR 339 Cb 1.18 0.00 -0.22 0.00 1.54 0.00 0.00 36.73 39.23 3i01 h TYR 339 CO 0.72 0.86 0.32 0.54 -1.64 0.00 0.00 178.16 178.97 3i01 s VAL 340 N -2.74 0.00 -0.06 1.81 0.11 -1.21 -2.15 120.40 116.16 3i01 s VAL 340 Ca -0.01 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 3i01 s VAL 340 Cb 0.09 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3i01 s VAL 340 CO 0.81 0.00 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.83 3i01 s GLU 341 N -0.37 1.05 0.14 1.54 2.12 -0.96 -1.95 118.70 120.26 3i01 s GLU 341 Ca -0.02 -0.14 0.09 0.00 0.36 0.00 0.00 54.97 55.25 3i01 s GLU 341 Cb -0.03 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.25 3i01 s GLU 341 CO 0.01 -0.13 -0.15 -1.64 -0.54 0.00 0.00 175.26 172.82 3i01 s MET 342 N 1.17 1.90 2.09 4.30 -1.94 -0.56 -3.18 119.30 123.08 3i01 s MET 342 Ca -0.07 -1.20 0.00 0.00 -1.71 0.00 0.00 55.69 52.71 3i01 s MET 342 Cb -0.14 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.56 3i01 s MET 342 CO -0.01 0.47 0.00 0.41 -0.01 0.00 0.00 175.02 175.87 3i01 n GLY 343 N 0.52 -1.22 2.34 -0.03 0.00 -1.22 -0.48 105.19 105.09 3i01 n GLY 343 Ca -0.14 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 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 1.08 2.22 -0.02 0.00 -0.80 -2.32 105.19 105.35 3i01 n GLY 344 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 0.17 -3.66 -0.09 1.61 5.03 -1.26 -4.90 115.26 112.15 3i01 n ASN 345 Ca -0.09 -0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.20 3i01 n ASN 345 Cb 0.34 -2.88 -0.05 0.00 -1.02 0.00 0.00 39.78 36.17 3i01 n ASN 345 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i01 n ARG 346 N -2.09 0.45 -4.42 3.52 3.00 -0.98 -4.99 116.66 111.14 3i01 n ARG 346 Ca -0.13 0.19 -0.23 0.00 -0.01 0.00 0.00 57.85 57.67 3i01 n ARG 346 Cb 0.60 -1.27 -0.10 0.00 0.00 0.00 0.00 32.46 31.69 3i01 n ARG 346 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3i01 s THR 347 N -2.57 2.21 0.46 0.55 -4.23 -1.23 -4.98 115.64 105.85 3i01 s THR 347 Ca -0.27 -2.25 -0.21 0.00 -1.18 0.00 0.00 61.69 57.77 3i01 s THR 347 Cb 0.08 -2.16 -0.09 0.00 1.34 0.00 0.00 72.50 71.66 3i01 s THR 347 CO 0.37 -0.40 1.01 -2.84 -0.54 0.00 0.00 174.62 172.22 3i01 s PRO 348 N -3.35 3.99 -0.12 3.99 0.02 -1.26 -3.40 135.00 134.88 3i01 s PRO 348 Ca 0.25 1.29 -0.22 0.00 0.02 0.00 0.00 61.00 62.34 3i01 s PRO 348 Cb -0.04 -2.18 0.05 0.00 0.02 0.00 0.00 34.50 32.35 3i01 s PRO 348 CO 0.11 -0.26 0.55 0.00 -0.33 0.00 0.00 177.00 177.08 3i01 s ALA 349 N -2.01 -1.39 0.04 -1.55 0.00 -1.26 -3.02 121.76 112.57 3i01 s ALA 349 Ca 0.64 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.81 3i01 s ALA 349 Cb -0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3i01 s ALA 349 CO 0.18 -0.30 0.03 -0.59 0.00 0.00 0.00 175.76 175.09 3i01 s PHE 350 N -0.53 0.32 0.04 0.00 -0.12 -0.78 -3.94 117.98 112.97 3i01 s PHE 350 Ca -0.06 -0.70 0.07 0.00 -0.05 0.00 0.00 56.93 56.18 3i01 s PHE 350 Cb -0.03 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 3i01 s PHE 350 CO 0.05 -0.34 -0.19 -1.83 -0.05 0.00 0.00 175.22 172.85 3i01 s GLU 351 N -2.87 1.28 -0.27 1.99 -1.05 0.23 -1.25 118.70 116.77 3i01 s GLU 351 Ca -0.03 -0.90 -0.04 0.00 -0.15 0.00 0.00 54.97 53.86 3i01 s GLU 351 Cb 0.00 -1.37 0.15 0.00 -0.44 0.00 0.00 34.13 32.47 3i01 s GLU 351 CO -0.06 0.35 0.51 -1.17 0.95 0.00 0.00 175.26 175.84 3i01 s LEU 352 N -1.16 -1.00 -0.13 1.83 2.96 0.49 -4.45 118.68 117.22 3i01 s LEU 352 Ca 0.06 0.83 -0.17 0.00 -0.22 0.00 0.00 54.13 54.64 3i01 s LEU 352 Cb -0.09 1.75 -0.04 0.00 0.50 0.00 0.00 46.19 48.31 3i01 s LEU 352 CO 0.02 -0.26 0.42 -0.69 -1.32 0.00 0.00 176.35 174.52 3i01 s VAL 353 N 2.73 5.22 0.03 1.68 1.01 -1.26 -1.79 120.40 128.02 3i01 s VAL 353 Ca 0.10 0.83 0.03 0.00 0.00 0.00 0.00 61.98 62.94 3i01 s VAL 353 Cb -0.14 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3i01 s VAL 353 CO -0.18 0.35 -0.08 0.00 0.00 0.00 0.00 175.10 175.19 3i01 s ARG 354 N 0.53 0.58 0.01 2.72 1.70 -0.67 -4.85 118.95 118.97 3i01 s ARG 354 Ca 0.23 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.57 3i01 s ARG 354 Cb -0.15 -0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 33.75 3i01 s ARG 354 CO 0.09 0.10 0.96 0.99 -1.08 0.00 0.00 175.30 176.35 3i01 s THR 355 N -0.98 4.82 0.08 4.99 2.01 -1.26 -0.75 115.64 124.56 3i01 s THR 355 Ca -0.05 2.02 0.10 0.00 0.31 0.00 0.00 61.69 64.07 3i01 s THR 355 Cb -0.08 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 3i01 s THR 355 CO 0.00 0.19 -0.25 0.68 -0.69 0.00 0.00 174.62 174.56 3i01 s VAL 356 N 0.83 2.34 0.70 3.82 -7.23 -0.31 -4.88 120.40 115.66 3i01 s VAL 356 Ca 0.50 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.99 3i01 s VAL 356 Cb -0.21 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 3i01 s VAL 356 CO 0.28 0.23 1.01 -1.54 -0.31 0.00 0.00 175.10 174.77 3i01 n SER 357 N 1.32 0.70 -0.05 4.85 3.41 -1.26 -4.40 113.62 118.19 3i01 n SER 357 Ca -0.17 0.70 0.21 0.00 -0.26 0.00 0.00 58.87 59.35 3i01 n SER 357 Cb 0.52 -1.42 0.68 0.00 -0.26 0.00 0.00 64.21 63.73 3i01 n SER 357 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i01 h GLU 358 N -0.10 0.03 0.00 4.33 4.22 -1.96 -1.36 114.58 119.74 3i01 h GLU 358 Ca -0.48 -0.00 -0.11 0.00 0.08 0.00 0.00 59.36 58.85 3i01 h GLU 358 Cb 1.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 3i01 h GLU 358 CO 0.48 0.02 -0.53 0.66 -2.18 0.00 0.00 179.01 177.46 3i01 h SER 359 N 0.04 0.00 -0.19 1.04 4.64 -2.05 -3.21 113.55 113.82 3i01 h SER 359 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3i01 h SER 359 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3i01 h SER 359 CO -0.01 0.53 0.00 -0.62 -0.87 0.00 0.00 176.83 175.85 3i01 n GLU 360 N -3.77 1.53 -4.12 4.77 1.02 -0.51 -4.90 120.64 114.65 3i01 n GLU 360 Ca -0.01 -0.72 -0.19 0.00 -0.02 0.00 0.00 57.16 56.22 3i01 n GLU 360 Cb 0.56 -1.22 -0.16 0.00 -0.02 0.00 0.00 31.44 30.59 3i01 n GLU 360 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3i01 s ILE 361 N -1.70 0.46 -0.25 -3.67 2.07 -1.21 -4.90 121.20 111.99 3i01 s ILE 361 Ca 0.13 -0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.25 3i01 s ILE 361 Cb 0.07 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 42.16 3i01 s ILE 361 CO 0.08 0.21 0.00 -0.89 -1.91 0.00 0.00 174.94 172.43 3i01 s THR 362 N 0.93 3.54 0.67 4.00 2.01 -1.26 -5.02 115.64 120.50 3i01 s THR 362 Ca -0.11 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 3i01 s THR 362 Cb -0.14 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.66 3i01 s THR 362 CO -0.00 0.27 1.15 -0.62 -0.69 0.00 0.00 174.62 174.73 3i01 s ASP 363 N 1.47 4.87 0.00 3.53 2.15 -1.26 -2.92 116.67 124.50 3i01 s ASP 363 Ca 0.04 2.17 0.00 0.00 0.43 0.00 0.00 52.55 55.19 3i01 s ASP 363 Cb -0.16 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3i01 s ASP 363 CO -0.01 -1.80 0.00 0.61 -0.17 0.00 0.00 175.17 173.80 3i01 n GLY 364 N -0.06 0.36 3.63 2.66 0.00 -0.90 -4.95 105.19 105.93 3i01 n GLY 364 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.63 3.91 -0.13 1.61 2.20 -1.15 -4.97 119.74 120.58 3i01 s LYS 365 Ca 0.00 1.26 0.01 0.00 -0.36 0.00 0.00 55.97 56.88 3i01 s LYS 365 Cb 0.00 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 3i01 s LYS 365 CO 0.00 -1.13 -0.16 0.42 -0.36 0.00 0.00 175.35 174.12 3i01 s ILE 366 N 4.41 2.71 -0.15 5.43 1.01 -1.26 -0.31 121.20 133.04 3i01 s ILE 366 Ca 0.57 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 3i01 s ILE 366 Cb -0.17 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.23 3i01 s ILE 366 CO 0.23 0.53 0.02 -0.70 0.00 0.00 0.00 174.94 175.02 3i01 s GLU 367 N 0.47 0.70 -0.42 2.79 2.12 0.02 -5.00 118.70 119.39 3i01 s GLU 367 Ca -0.11 -0.24 -0.20 0.00 0.36 0.00 0.00 54.97 54.77 3i01 s GLU 367 Cb -0.16 -1.72 0.02 0.00 0.26 0.00 0.00 34.13 32.53 3i01 s GLU 367 CO 0.05 -0.51 0.60 0.08 -0.54 0.00 0.00 175.26 174.94 3i01 s VAL 368 N 1.88 4.89 -0.95 3.70 1.01 -1.26 -0.84 120.40 128.84 3i01 s VAL 368 Ca 0.01 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 3i01 s VAL 368 Cb -0.15 -4.14 0.20 0.00 0.00 0.00 0.00 36.38 32.28 3i01 s VAL 368 CO -0.07 -0.51 1.01 -0.63 0.00 0.00 0.00 175.10 174.90 3i01 s ILE 369 N 2.66 5.37 -0.24 2.22 1.01 -0.10 -4.93 121.20 127.20 3i01 s ILE 369 Ca 0.21 -2.41 0.00 0.00 0.00 0.00 0.00 60.65 58.45 3i01 s ILE 369 Cb -0.15 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 37.69 3i01 s ILE 369 CO 0.17 -1.26 0.00 0.61 0.00 0.00 0.00 174.94 174.46 3i01 n GLY 370 N 4.19 0.16 3.68 6.18 0.00 -1.26 -1.91 105.19 116.22 3i01 n GLY 370 Ca 0.21 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3i01 n GLY 370 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i01 s PRO 371 N -0.30 4.22 0.00 1.61 0.02 -1.26 -4.94 135.00 134.35 3i01 s PRO 371 Ca 0.00 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3i01 s PRO 371 Cb 0.00 -3.76 0.00 0.00 0.02 0.00 0.00 34.50 30.76 3i01 s PRO 371 CO 0.00 -0.73 0.00 -3.47 -0.33 0.00 0.00 177.00 172.47 3i01 n ASP 372 N 6.22 0.00 0.00 2.53 -0.08 -1.26 -4.83 116.55 119.13 3i01 n ASP 372 Ca 0.16 -0.45 -0.08 0.00 -1.51 0.00 0.00 54.79 52.91 3i01 n ASP 372 Cb 0.43 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.75 3i01 n ASP 372 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3i01 h ILE 373 N -0.39 1.10 -0.39 5.18 2.10 -1.95 -3.15 117.51 120.01 3i01 h ILE 373 Ca 0.00 -2.91 -0.24 0.00 1.08 0.00 0.00 64.86 62.79 3i01 h ILE 373 Cb 0.00 2.55 -0.12 0.00 -1.09 0.00 0.00 36.82 38.16 3i01 h ILE 373 CO 0.00 0.63 0.31 -0.90 -1.08 0.00 0.00 178.15 177.11 3i01 n ASP 374 N -3.14 4.92 0.00 2.19 5.75 -1.26 -3.69 116.55 121.32 3i01 n ASP 374 Ca -0.12 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 3i01 n ASP 374 Cb 1.02 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 3i01 n ASP 374 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i01 n GLN 375 N 0.23 0.00 -4.40 0.11 6.02 -1.19 -5.09 117.38 113.06 3i01 n GLN 375 Ca 0.24 -0.14 -0.24 0.00 -0.01 0.00 0.00 57.00 56.86 3i01 n GLN 375 Cb 0.75 -0.34 -0.09 0.00 1.02 0.00 0.00 30.24 31.58 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 0.00 2.73 0.59 5.09 -4.36 -1.24 -4.88 121.20 119.12 3i01 s ILE 376 Ca 0.00 -2.16 -0.13 0.00 -0.26 0.00 0.00 60.65 58.10 3i01 s ILE 376 Cb 0.00 -2.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 3i01 s ILE 376 CO 0.00 -0.32 1.02 -2.16 0.24 0.00 0.00 174.94 173.71 3i01 s PRO 377 N -3.61 3.67 0.39 0.37 0.04 -1.26 -5.02 135.00 129.59 3i01 s PRO 377 Ca 0.32 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 61.94 3i01 s PRO 377 Cb -0.03 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3i01 s PRO 377 CO 0.17 -0.50 1.42 -1.91 0.04 0.00 0.00 177.00 176.22 3i01 n GLU 378 N -2.33 2.41 -0.91 4.56 2.13 -1.26 -3.21 120.64 122.02 3i01 n GLU 378 Ca 0.06 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.73 3i01 n GLU 378 Cb 0.54 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.67 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 0.57 0.85 3.95 8.31 0.00 -0.91 -5.03 105.19 112.93 3i01 n GLY 379 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3i01 n GLY 379 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i01 s SER 380 N -2.75 4.15 0.46 1.61 1.04 -1.20 -4.85 113.70 112.17 3i01 s SER 380 Ca 0.00 0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.69 3i01 s SER 380 Cb 0.00 -0.58 0.08 0.00 0.10 0.00 0.00 66.02 65.62 3i01 s SER 380 CO 0.00 -2.03 0.62 0.29 0.98 0.00 0.00 173.24 173.10 3i01 n LYS 381 N -3.17 0.66 -3.65 4.02 5.02 -1.26 -2.26 118.16 117.51 3i01 n LYS 381 Ca 0.12 -2.38 0.01 0.00 -2.02 0.00 0.00 58.31 54.05 3i01 n LYS 381 Cb 0.60 -0.20 -0.06 0.00 -0.02 0.00 0.00 35.03 35.35 3i01 n LYS 381 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3i01 s LEU 382 N 0.00 -0.04 0.72 -0.35 2.96 -1.19 -4.85 118.68 115.93 3i01 s LEU 382 Ca 0.47 0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 54.33 3i01 s LEU 382 Cb -0.04 1.06 0.02 0.00 0.50 0.00 0.00 46.19 47.74 3i01 s LEU 382 CO 0.30 -0.01 1.07 -2.16 -1.32 0.00 0.00 176.35 174.23 3i01 s PRO 383 N 0.74 2.76 -0.08 0.98 0.04 -1.26 -4.28 135.00 133.89 3i01 s PRO 383 Ca -0.04 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 61.81 3i01 s PRO 383 Cb -0.03 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3i01 s PRO 383 CO -0.11 -1.20 0.19 -1.17 0.04 0.00 0.00 177.00 174.74 3i01 s LEU 384 N -5.58 0.83 -0.15 -3.56 2.96 -1.17 -4.28 118.68 107.74 3i01 s LEU 384 Ca 0.59 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 3i01 s LEU 384 Cb -0.14 0.57 0.02 0.00 0.50 0.00 0.00 46.19 47.14 3i01 s LEU 384 CO 0.55 -0.12 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.45 3i01 s GLY 385 N 0.83 1.21 -0.27 7.98 0.00 -0.86 -1.87 107.32 114.35 3i01 s GLY 385 Ca -0.06 -0.98 -0.10 0.00 0.00 0.00 0.00 44.72 43.58 3i01 s GLY 385 CO -0.05 0.33 0.14 -0.42 0.00 0.00 0.00 173.10 173.10 3i01 s ILE 386 N 1.24 4.93 -0.26 0.90 1.01 -0.38 -0.77 121.20 127.87 3i01 s ILE 386 Ca 0.01 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3i01 s ILE 386 Cb -0.14 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.06 3i01 s ILE 386 CO -0.08 0.28 -0.11 -0.22 0.00 0.00 0.00 174.94 174.81 3i01 s LEU 387 N 1.70 3.44 -0.31 2.97 2.96 0.05 -0.38 118.68 129.11 3i01 s LEU 387 Ca 0.07 -1.39 -0.06 0.00 -0.22 0.00 0.00 54.13 52.53 3i01 s LEU 387 Cb -0.16 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.01 3i01 s LEU 387 CO 0.08 -0.19 0.07 -0.69 -1.32 0.00 0.00 176.35 174.30 3i01 s VAL 388 N 1.10 3.68 -0.25 1.68 1.01 -0.74 -0.52 120.40 126.37 3i01 s VAL 388 Ca -0.09 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 3i01 s VAL 388 Cb -0.20 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3i01 s VAL 388 CO -0.05 -0.06 0.41 -1.81 0.00 0.00 0.00 175.10 173.59 3i01 s ASP 389 N 1.41 6.34 -0.13 3.32 -0.00 0.17 -1.66 116.67 126.11 3i01 s ASP 389 Ca -0.01 0.40 0.01 0.00 -0.00 0.00 0.00 52.55 52.95 3i01 s ASP 389 Cb -0.19 -2.23 -0.01 0.00 -0.00 0.00 0.00 42.92 40.50 3i01 s ASP 389 CO 0.02 -0.18 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.22 3i01 s ILE 390 N 1.92 2.75 -0.09 0.77 -1.09 0.07 -1.71 121.20 123.83 3i01 s ILE 390 Ca 0.17 -0.76 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 3i01 s ILE 390 Cb -0.15 -2.14 0.01 0.00 -1.58 0.00 0.00 42.46 38.59 3i01 s ILE 390 CO 0.09 0.53 -0.16 -0.47 -1.23 0.00 0.00 174.94 173.70 3i01 s TYR 391 N 0.53 1.91 0.14 3.97 5.04 -0.83 -1.17 117.35 126.94 3i01 s TYR 391 Ca -0.10 -0.82 -0.25 0.00 -2.44 0.00 0.00 57.07 53.46 3i01 s TYR 391 Cb -0.16 -1.36 0.07 0.00 0.35 0.00 0.00 41.96 40.86 3i01 s TYR 391 CO 0.04 -0.40 0.80 0.20 -1.34 0.00 0.00 175.55 174.85 3i01 s GLY 392 N 0.77 -0.36 0.34 8.97 0.00 -1.25 -0.16 107.32 115.63 3i01 s GLY 392 Ca -0.11 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.03 3i01 s GLY 392 CO 0.02 0.11 1.90 3.21 0.00 0.00 0.00 173.10 178.34 3i01 h ARG 393 N 2.00 0.80 -0.07 2.90 3.08 -1.73 -1.98 114.38 119.38 3i01 h ARG 393 Ca -0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3i01 h ARG 393 Cb 1.26 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3i01 h ARG 393 CO 0.30 0.53 0.00 1.63 -1.07 0.00 0.00 179.97 181.36 3i01 n LYS 394 N -4.53 2.18 -1.98 0.04 5.02 -0.76 -5.01 118.16 113.12 3i01 n LYS 394 Ca 0.15 -1.72 -0.34 0.00 -2.02 0.00 0.00 58.31 54.37 3i01 n LYS 394 Cb 0.33 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3i01 n LYS 394 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3i01 s MET 395 N -1.94 3.01 -0.03 1.97 1.75 -0.75 -4.79 119.30 118.52 3i01 s MET 395 Ca 0.32 1.58 -0.29 0.00 -1.25 0.00 0.00 55.69 56.04 3i01 s MET 395 Cb 0.20 -1.96 0.11 0.00 2.84 0.00 0.00 34.83 36.02 3i01 s MET 395 CO 0.31 -1.12 0.91 1.14 -0.65 0.00 0.00 175.02 175.61 3i01 s GLN 396 N -3.62 0.78 0.43 4.11 -2.07 -1.26 -4.98 119.66 113.05 3i01 s GLN 396 Ca 0.72 -0.23 0.28 0.00 -1.82 0.00 0.00 55.36 54.30 3i01 s GLN 396 Cb -0.24 0.36 1.35 0.00 -1.09 0.00 0.00 33.01 33.39 3i01 s GLN 396 CO 0.34 -0.33 1.66 0.00 -1.32 0.00 0.00 175.29 175.65 3i01 h ALA 397 N 2.09 2.63 0.00 2.60 0.00 -1.99 0.11 119.26 124.70 3i01 h ALA 397 Ca -0.21 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3i01 h ALA 397 Cb 1.23 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3i01 h ALA 397 CO 0.31 -1.20 -0.24 -0.44 0.00 0.00 0.00 179.25 177.67 3i01 h ASP 398 N 0.16 0.00 -0.26 0.00 3.45 -2.01 -2.97 116.42 114.79 3i01 h ASP 398 Ca 0.76 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.22 3i01 h ASP 398 Cb 2.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.09 3i01 h ASP 398 CO -0.38 0.24 0.00 0.49 -1.57 0.00 0.00 179.24 178.02 3i01 n PHE 399 N -3.47 0.34 -0.03 4.55 0.99 0.39 -4.17 117.46 116.07 3i01 n PHE 399 Ca -0.00 -0.17 -0.15 0.00 -0.00 0.00 0.00 57.45 57.13 3i01 n PHE 399 Cb 0.42 0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 38.79 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 2.28 0.22 0.31 -1.08 5.08 -1.52 -2.86 114.58 117.01 3i01 h GLU 400 Ca 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3i01 h GLU 400 Cb 0.51 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3i01 h GLU 400 CO 0.00 0.89 -0.44 0.78 -1.00 0.00 0.00 179.01 179.24 3i01 h GLY 401 N -0.38 -1.00 -0.71 -3.84 0.00 -1.78 -1.41 103.07 93.94 3i01 h GLY 401 Ca -0.03 0.52 0.06 0.00 0.00 0.00 0.00 47.33 47.89 3i01 h GLY 401 CO 0.05 -0.31 -0.42 -0.62 0.00 0.00 0.00 176.54 175.24 3i01 n VAL 402 N -5.50 -0.48 -0.15 4.60 0.31 -1.25 -0.92 118.33 114.93 3i01 n VAL 402 Ca -0.10 1.74 -0.09 0.00 -0.01 0.00 0.00 64.34 65.88 3i01 n VAL 402 Cb 0.41 -2.15 0.05 0.00 -0.91 0.00 0.00 33.84 31.24 3i01 n VAL 402 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i01 h LEU 403 N 0.00 0.94 -1.16 7.52 4.07 -1.36 -3.19 115.31 122.13 3i01 h LEU 403 Ca 0.11 -0.31 -0.08 0.00 0.08 0.00 0.00 57.88 57.68 3i01 h LEU 403 Cb 0.29 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 3i01 h LEU 403 CO -0.67 1.07 -0.34 -0.08 -1.08 0.00 0.00 178.44 177.34 3i01 h GLU 404 N 0.83 0.15 -0.91 1.13 4.81 -0.10 -2.36 114.58 118.12 3i01 h GLU 404 Ca 0.13 -0.06 0.19 0.00 -0.13 0.00 0.00 59.36 59.49 3i01 h GLU 404 Cb 0.68 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.98 3i01 h GLU 404 CO 0.05 0.47 0.59 -0.09 -0.73 0.00 0.00 179.01 179.31 3i01 h ARG 405 N 0.13 0.50 0.00 1.92 2.43 -1.02 -3.16 114.38 115.19 3i01 h ARG 405 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i01 h ARG 405 Cb 0.66 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3i01 h ARG 405 CO 0.05 0.33 -0.25 0.54 -1.51 0.00 0.00 179.97 179.13 3i01 n ARG 406 N -4.56 0.25 -0.32 0.20 5.12 -0.89 -3.43 116.66 113.02 3i01 n ARG 406 Ca 0.19 0.15 0.06 0.00 -1.93 0.00 0.00 57.85 56.33 3i01 n ARG 406 Cb 0.63 -1.73 0.26 0.00 -1.16 0.00 0.00 32.46 30.46 3i01 n ARG 406 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3i01 h ILE 407 N 0.00 0.97 0.03 0.55 2.04 -1.60 -0.12 117.51 119.39 3i01 h ILE 407 Ca 0.00 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3i01 h ILE 407 Cb 0.72 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3i01 h ILE 407 CO 0.00 0.18 -0.27 -0.74 0.00 0.00 0.00 178.15 177.32 3i01 h HIS 408 N 0.97 -0.79 -0.46 1.37 2.76 -1.76 -1.97 115.15 115.27 3i01 h HIS 408 Ca 0.44 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.73 3i01 h HIS 408 Cb 0.40 0.34 -0.10 0.00 1.55 0.00 0.00 27.41 29.60 3i01 h HIS 408 CO -0.00 -0.30 -0.32 -0.44 -1.30 0.00 0.00 177.93 175.57 3i01 h ASP 409 N -0.36 -1.09 -0.80 3.26 3.32 -1.73 -1.75 116.42 117.26 3i01 h ASP 409 Ca 0.00 0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3i01 h ASP 409 Cb 0.37 0.52 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 3i01 h ASP 409 CO -0.16 -0.31 0.53 -0.26 -1.72 0.00 0.00 179.24 177.32 3i01 h PHE 410 N -0.22 1.01 0.05 4.55 0.04 -0.83 -2.37 116.94 119.17 3i01 h PHE 410 Ca 0.19 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.92 3i01 h PHE 410 Cb 0.54 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 38.35 3i01 h PHE 410 CO -0.57 0.64 -0.30 0.82 -0.60 0.00 0.00 178.31 178.30 3i01 h ILE 411 N 1.09 1.67 -1.05 -0.55 2.04 -1.31 -3.31 117.51 116.08 3i01 h ILE 411 Ca 0.29 -2.35 0.29 0.00 1.00 0.00 0.00 64.86 64.09 3i01 h ILE 411 Cb -0.13 3.24 -0.12 0.00 -0.74 0.00 0.00 36.82 39.08 3i01 h ILE 411 CO -0.06 0.63 0.65 0.78 0.00 0.00 0.00 178.15 180.15 3i01 h ASN 412 N -0.72 0.51 0.07 1.72 2.35 -1.06 -0.01 115.58 118.43 3i01 h ASN 412 Ca -0.05 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3i01 h ASN 412 Cb 1.21 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3i01 h ASN 412 CO 0.06 0.02 0.00 -1.22 -1.65 0.00 0.00 177.43 174.64 3i01 n TYR 413 N -4.80 0.67 -2.42 1.19 0.53 -0.91 -3.45 117.16 107.97 3i01 n TYR 413 Ca 0.28 0.34 -0.42 0.00 -1.02 0.00 0.00 57.90 57.09 3i01 n TYR 413 Cb 0.92 -1.04 -0.03 0.00 -1.03 0.00 0.00 39.34 38.15 3i01 n TYR 413 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 3i01 s GLY 414 N -3.50 2.50 -0.41 2.72 0.00 -0.02 -1.45 107.32 107.16 3i01 s GLY 414 Ca -0.02 0.87 -0.28 0.00 0.00 0.00 0.00 44.72 45.30 3i01 s GLY 414 CO 0.20 1.97 1.68 1.85 0.00 0.00 0.00 173.10 178.79 3i01 s GLU 415 N 0.65 3.29 0.00 2.90 2.12 0.77 -2.32 118.70 126.11 3i01 s GLU 415 Ca 0.57 1.10 0.00 0.00 0.36 0.00 0.00 54.97 57.00 3i01 s GLU 415 Cb -0.30 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 29.91 3i01 s GLU 415 CO 0.31 -1.92 0.00 0.41 -0.54 0.00 0.00 175.26 173.52 3i01 n GLY 416 N 5.36 0.31 3.80 -1.50 0.00 -1.26 -4.67 105.19 107.23 3i01 n GLY 416 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 4.35 0.00 0.99 1.43 -0.98 -0.26 118.68 124.21 3i01 s LEU 417 Ca 0.00 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 3i01 s LEU 417 Cb 0.00 -2.33 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 3i01 s LEU 417 CO 0.00 0.26 -0.01 0.86 0.23 0.00 0.00 176.35 177.69 3i01 s TRP 418 N -0.43 0.06 -0.14 0.29 -0.00 -0.26 -4.45 118.94 114.01 3i01 s TRP 418 Ca 0.18 -0.11 -0.08 0.00 -0.00 0.00 0.00 56.10 56.09 3i01 s TRP 418 Cb -0.14 -0.04 0.05 0.00 -0.00 0.00 0.00 33.47 33.34 3i01 s TRP 418 CO 0.06 -0.04 0.33 -1.58 -0.00 0.00 0.00 176.95 175.73 3i01 s HIS 419 N -0.29 -0.46 0.18 5.86 5.65 -1.26 -1.39 115.29 123.58 3i01 s HIS 419 Ca -0.03 1.03 0.01 0.00 0.25 0.00 0.00 55.06 56.32 3i01 s HIS 419 Cb -0.02 0.16 -0.05 0.00 -1.18 0.00 0.00 32.58 31.49 3i01 s HIS 419 CO -0.00 -0.28 0.02 -0.08 -0.65 0.00 0.00 174.74 173.75 3i01 s THR 420 N 1.18 0.60 0.04 0.89 -1.32 -0.34 -4.90 115.64 111.79 3i01 s THR 420 Ca -0.08 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 58.42 3i01 s THR 420 Cb -0.08 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 3i01 s THR 420 CO -0.09 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 3i01 n GLY 421 N -0.26 -2.10 3.27 6.08 0.00 -1.26 -2.15 105.19 108.77 3i01 n GLY 421 Ca -0.05 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.79 1.44 3.61 1.61 -2.07 -1.25 -4.80 119.66 117.42 3i01 s GLN 422 Ca 0.00 -1.80 0.00 0.00 -1.82 0.00 0.00 55.36 51.74 3i01 s GLN 422 Cb 0.00 0.12 0.00 0.00 -1.09 0.00 0.00 33.01 32.04 3i01 s GLN 422 CO 0.00 -0.45 0.00 0.54 -1.32 0.00 0.00 175.29 174.06 3i01 n ARG 423 N -0.45 0.00 -0.26 9.60 1.74 -1.26 -0.74 116.66 125.29 3i01 n ARG 423 Ca 0.03 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.20 3i01 n ARG 423 Cb 0.65 0.00 0.23 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 4.68 3.41 -1.80 0.55 2.04 -1.26 -0.60 115.26 122.29 3i01 n ASN 424 Ca 0.00 -1.97 -0.07 0.00 -0.44 0.00 0.00 54.58 52.10 3i01 n ASN 424 Cb 0.00 -0.34 0.27 0.00 -2.53 0.00 0.00 39.78 37.18 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 1.15 2.86 -1.12 1.53 -0.00 -0.28 -4.63 119.36 118.87 3i01 n ILE 425 Ca 0.18 -1.87 -0.35 0.00 -0.00 0.00 0.00 62.75 60.71 3i01 n ILE 425 Cb 0.53 -0.36 0.01 0.00 -0.00 0.00 0.00 39.64 39.82 3i01 n ILE 425 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 3i01 n ASN 426 N -0.49 -3.14 -3.42 4.38 5.15 0.08 -3.82 115.26 114.00 3i01 n ASN 426 Ca 0.41 0.61 0.01 0.00 -0.60 0.00 0.00 54.58 55.01 3i01 n ASN 426 Cb 1.33 -0.76 -0.04 0.00 -0.53 0.00 0.00 39.78 39.79 3i01 n ASN 426 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3i01 s TRP 427 N -1.74 -0.91 0.07 1.20 -0.00 -0.91 -1.91 118.94 114.75 3i01 s TRP 427 Ca 0.51 1.45 0.02 0.00 -0.00 0.00 0.00 56.10 58.09 3i01 s TRP 427 Cb -0.46 0.50 -0.03 0.00 -0.00 0.00 0.00 33.47 33.47 3i01 s TRP 427 CO 0.58 -0.46 -0.07 -0.51 -0.00 0.00 0.00 176.95 176.49 3i01 s LEU 428 N 2.64 2.39 -0.11 5.86 1.02 0.36 -1.20 118.68 129.64 3i01 s LEU 428 Ca -0.01 -0.79 -0.10 0.00 0.02 0.00 0.00 54.13 53.25 3i01 s LEU 428 Cb -0.09 -0.14 0.03 0.00 0.02 0.00 0.00 46.19 46.02 3i01 s LEU 428 CO -0.18 -0.33 0.29 -0.13 0.02 0.00 0.00 176.35 176.02 3i01 s ARG 429 N -2.75 0.34 -0.07 1.70 0.52 -0.49 -1.50 118.95 116.69 3i01 s ARG 429 Ca 0.02 0.42 0.03 0.00 -0.52 0.00 0.00 55.73 55.68 3i01 s ARG 429 Cb -0.02 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.58 3i01 s ARG 429 CO -0.02 -0.05 -0.17 0.08 0.02 0.00 0.00 175.30 175.17 3i01 s VAL 430 N 0.22 2.81 0.49 3.52 1.01 -0.82 -1.10 120.40 126.53 3i01 s VAL 430 Ca -0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3i01 s VAL 430 Cb -0.02 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 3i01 s VAL 430 CO -0.00 0.57 1.00 -0.94 0.00 0.00 0.00 175.10 175.73 3i01 s SER 431 N -0.29 6.50 0.42 3.32 1.04 0.64 -0.59 113.70 124.73 3i01 s SER 431 Ca 0.02 1.76 0.19 0.00 0.48 0.00 0.00 55.95 58.40 3i01 s SER 431 Cb -0.13 -2.54 1.12 0.00 0.10 0.00 0.00 66.02 64.58 3i01 s SER 431 CO 0.03 -0.67 1.81 0.11 0.98 0.00 0.00 173.24 175.49 3i01 h LYS 432 N 1.34 0.36 0.06 4.02 1.57 -0.06 -2.57 116.57 121.30 3i01 h LYS 432 Ca -0.48 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.03 3i01 h LYS 432 Cb 1.20 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 3i01 h LYS 432 CO 0.60 0.24 -1.07 0.22 -0.57 0.00 0.00 179.45 178.87 3i01 h ASP 433 N 0.37 0.39 -0.28 0.86 -0.00 -1.92 -1.66 116.42 114.18 3i01 h ASP 433 Ca 0.54 -0.37 0.04 0.00 -0.00 0.00 0.00 57.03 57.25 3i01 h ASP 433 Cb 1.43 -0.12 -0.04 0.00 -0.00 0.00 0.00 39.33 40.60 3i01 h ASP 433 CO -0.23 1.23 0.06 0.00 -0.00 0.00 0.00 179.24 180.29 3i01 h ALA 434 N 0.73 0.29 -0.02 -0.78 0.00 -1.74 -0.02 119.26 117.72 3i01 h ALA 434 Ca -0.09 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 434 Cb 1.76 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 3i01 h ALA 434 CO 0.17 -0.35 -0.19 0.28 0.00 0.00 0.00 179.25 179.16 3i01 h VAL 435 N 0.16 0.54 -0.12 0.00 2.07 -1.40 -1.66 116.25 115.85 3i01 h VAL 435 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 3i01 h VAL 435 Cb 0.13 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3i01 h VAL 435 CO -0.17 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.53 3i01 h ALA 436 N 0.62 1.86 0.00 1.67 0.00 -1.04 0.17 119.26 122.53 3i01 h ALA 436 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i01 h ALA 436 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i01 h ALA 436 CO -0.19 -0.17 -0.11 1.63 0.00 0.00 0.00 179.25 180.41 3i01 n LYS 437 N -4.08 0.11 0.00 0.00 5.02 -0.05 -4.92 118.16 114.24 3i01 n LYS 437 Ca -0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3i01 n LYS 437 Cb 0.22 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.42 1.37 3.73 0.72 0.00 0.58 -4.75 105.19 108.27 3i01 n GLY 438 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3i01 n GLY 438 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i01 s PHE 439 N -2.00 3.19 0.04 1.61 5.36 -0.74 -4.87 117.98 120.57 3i01 s PHE 439 Ca 0.00 1.08 0.02 0.00 -0.96 0.00 0.00 56.93 57.07 3i01 s PHE 439 Cb 0.00 -3.69 -0.02 0.00 -0.34 0.00 0.00 43.02 38.97 3i01 s PHE 439 CO 0.00 -2.27 -0.07 1.03 -1.46 0.00 0.00 175.22 172.45 3i01 s ARG 440 N 0.16 0.49 0.62 10.12 3.00 -1.26 -4.60 118.95 127.48 3i01 s ARG 440 Ca 0.60 -0.73 0.28 0.00 0.00 0.00 0.00 55.73 55.88 3i01 s ARG 440 Cb -0.38 -0.23 1.46 0.00 0.00 0.00 0.00 34.95 35.80 3i01 s ARG 440 CO 0.37 0.04 1.86 0.74 0.00 0.00 0.00 175.30 178.31 3i01 h PHE 441 N 4.54 0.00 -0.58 -0.53 0.05 -1.96 0.25 116.94 118.71 3i01 h PHE 441 Ca -0.35 0.00 0.11 0.00 3.82 0.00 0.00 57.97 61.55 3i01 h PHE 441 Cb 1.20 0.00 -0.11 0.00 2.00 0.00 0.00 35.95 39.04 3i01 h PHE 441 CO 0.65 0.00 -0.21 -0.22 -0.18 0.00 0.00 178.31 178.34 3i01 h LYS 442 N 0.00 -0.07 -1.00 1.51 3.64 -1.98 -2.66 116.57 116.01 3i01 h LYS 442 Ca 0.15 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.75 3i01 h LYS 442 Cb 1.10 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.82 3i01 h LYS 442 CO -0.00 -0.05 0.61 -0.91 -2.27 0.00 0.00 179.45 176.83 3i01 h ASN 443 N -0.07 0.72 -0.79 4.20 -0.26 -0.91 0.24 115.58 118.70 3i01 h ASN 443 Ca 0.27 0.11 0.15 0.00 -0.56 0.00 0.00 56.30 56.26 3i01 h ASN 443 Cb 0.49 -0.02 -0.10 0.00 -1.06 0.00 0.00 38.32 37.63 3i01 h ASN 443 CO -0.63 0.21 0.35 1.88 -1.06 0.00 0.00 177.43 178.18 3i01 h TYR 444 N 0.68 0.60 -0.22 1.19 0.05 -1.61 -2.33 116.97 115.33 3i01 h TYR 444 Ca 0.60 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 59.38 3i01 h TYR 444 Cb 1.04 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 3i01 h TYR 444 CO -0.00 0.09 0.01 0.78 -1.05 0.00 0.00 178.16 177.98 3i01 h GLY 445 N 0.49 0.41 1.39 3.88 0.00 -0.64 -2.29 103.07 106.31 3i01 h GLY 445 Ca 0.44 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.48 3i01 h GLY 445 CO -0.40 0.28 0.40 0.83 0.00 0.00 0.00 176.54 177.65 3i01 h GLU 446 N 0.15 0.79 0.83 4.80 5.08 -0.91 0.09 114.58 125.41 3i01 h GLU 446 Ca 0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3i01 h GLU 446 Cb 0.39 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.47 3i01 h GLU 446 CO 0.01 0.52 -0.40 0.82 -1.00 0.00 0.00 179.01 178.96 3i01 h ILE 447 N 0.81 0.00 -0.96 3.13 2.04 -1.50 -2.61 117.51 118.42 3i01 h ILE 447 Ca 0.23 -0.15 0.14 0.00 1.00 0.00 0.00 64.86 66.08 3i01 h ILE 447 Cb -0.07 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 35.93 3i01 h ILE 447 CO -0.05 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.64 3i01 h LEU 448 N -1.27 0.81 0.00 1.44 4.07 -1.32 0.31 115.31 119.35 3i01 h LEU 448 Ca -0.11 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3i01 h LEU 448 Cb 0.86 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.49 3i01 h LEU 448 CO 0.19 0.41 0.00 0.52 -1.08 0.00 0.00 178.44 178.47 3i01 n VAL 449 N -4.61 0.00 -0.25 1.22 0.31 0.01 -1.84 118.33 113.16 3i01 n VAL 449 Ca 0.19 0.99 0.03 0.00 -0.01 0.00 0.00 64.34 65.53 3i01 n VAL 449 Cb 0.42 -1.94 0.08 0.00 -0.91 0.00 0.00 33.84 31.49 3i01 n VAL 449 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i01 n ALA 450 N -0.63 0.09 -0.02 3.52 0.00 -0.98 -2.54 120.51 119.94 3i01 n ALA 450 Ca 0.00 0.73 -0.16 0.00 0.00 0.00 0.00 53.44 54.02 3i01 n ALA 450 Cb 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 3i01 n ALA 450 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i01 h LYS 451 N 0.00 0.34 -0.98 0.00 1.79 -0.44 -1.24 116.57 116.04 3i01 h LYS 451 Ca 0.30 -0.30 0.15 0.00 -2.18 0.00 0.00 60.65 58.62 3i01 h LYS 451 Cb 0.47 0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.11 3i01 h LYS 451 CO -0.70 0.96 0.61 0.52 -1.08 0.00 0.00 179.45 179.77 3i01 h MET 452 N -0.19 0.80 0.02 3.15 2.86 -1.14 0.02 114.93 120.45 3i01 h MET 452 Ca -0.03 -0.05 -0.23 0.00 -2.06 0.00 0.00 59.70 57.33 3i01 h MET 452 Cb 1.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3i01 h MET 452 CO 0.08 0.53 -0.96 0.87 1.06 0.00 0.00 176.91 178.48 3i01 h LYS 453 N 0.82 0.36 -0.10 1.72 1.57 -1.45 -2.31 116.57 117.18 3i01 h LYS 453 Ca 0.51 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3i01 h LYS 453 Cb 0.71 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3i01 h LYS 453 CO -0.28 1.09 -0.07 1.49 -0.57 0.00 0.00 179.45 181.10 3i01 h GLU 454 N 0.19 0.23 -0.16 3.15 4.81 -0.52 -3.18 114.58 119.10 3i01 h GLU 454 Ca -0.08 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 58.83 3i01 h GLU 454 Cb 1.61 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.99 3i01 h GLU 454 CO 0.16 0.62 -0.72 0.93 -0.73 0.00 0.00 179.01 179.27 3i01 h GLU 455 N -0.15 0.72 -1.61 1.92 4.39 -1.11 -3.38 114.58 115.35 3i01 h GLU 455 Ca 0.02 -0.56 -0.59 0.00 0.34 0.00 0.00 59.36 58.58 3i01 h GLU 455 Cb 0.56 0.11 -0.42 0.00 -0.10 0.00 0.00 28.75 28.90 3i01 h GLU 455 CO 0.02 1.17 -0.72 1.19 -1.16 0.00 0.00 179.01 179.51 3i01 n PHE 456 N -3.93 3.48 -1.89 4.33 3.01 -0.87 -5.08 117.46 116.51 3i01 n PHE 456 Ca -0.06 -3.23 -0.35 0.00 1.01 0.00 0.00 57.45 54.82 3i01 n PHE 456 Cb 0.71 -0.13 0.04 0.00 -0.01 0.00 0.00 39.48 40.09 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 -3.53 2.82 0.00 -1.08 0.04 -1.20 -0.67 135.00 131.38 3i01 s PRO 457 Ca 0.48 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3i01 s PRO 457 Cb 0.39 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 33.01 3i01 s PRO 457 CO -0.18 -1.30 0.00 0.00 0.04 0.00 0.00 177.00 175.56 3i01 n ALA 458 N -1.89 0.00 -0.36 8.56 0.00 -1.26 -4.48 120.51 121.07 3i01 n ALA 458 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 3i01 n ALA 458 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 3i01 n ALA 458 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i01 h ILE 459 N 0.00 1.18 -3.70 0.00 2.04 -1.85 -1.96 117.51 113.21 3i01 h ILE 459 Ca 0.00 -0.43 -0.68 0.00 1.00 0.00 0.00 64.86 64.75 3i01 h ILE 459 Cb 0.00 -0.18 -0.33 0.00 -0.74 0.00 0.00 36.82 35.57 3i01 h ILE 459 CO 0.00 0.23 -0.72 -0.69 0.00 0.00 0.00 178.15 176.96 3i01 s VAL 460 N -6.09 2.88 -0.12 1.67 1.01 0.15 -3.75 120.40 116.16 3i01 s VAL 460 Ca -0.13 -1.30 0.09 0.00 0.00 0.00 0.00 61.98 60.64 3i01 s VAL 460 Cb 0.19 -2.60 -0.14 0.00 0.00 0.00 0.00 36.38 33.83 3i01 s VAL 460 CO 0.81 -0.01 0.02 0.47 0.00 0.00 0.00 175.10 176.39 3i01 n ASP 461 N 4.62 2.27 -3.77 3.32 8.00 -0.84 -4.52 116.55 125.62 3i01 n ASP 461 Ca -0.14 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.22 3i01 n ASP 461 Cb 0.44 0.67 -0.13 0.00 -0.02 0.00 0.00 41.12 42.08 3i01 n ASP 461 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3i01 s ARG 462 N -2.28 0.16 -0.01 -1.24 0.52 0.77 -5.00 118.95 111.88 3i01 s ARG 462 Ca -0.07 0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.51 3i01 s ARG 462 Cb 0.04 -0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 3i01 s ARG 462 CO 0.45 -0.11 -0.09 0.08 0.02 0.00 0.00 175.30 175.65 3i01 s VAL 463 N 0.75 0.72 -0.03 3.52 1.01 -1.26 -1.96 120.40 123.15 3i01 s VAL 463 Ca -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3i01 s VAL 463 Cb -0.07 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3i01 s VAL 463 CO -0.04 0.21 -0.02 -1.58 0.00 0.00 0.00 175.10 173.67 3i01 s GLN 464 N -0.17 0.46 -0.11 2.72 0.74 -0.69 -2.12 119.66 120.48 3i01 s GLN 464 Ca 0.03 0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.48 3i01 s GLN 464 Cb -0.04 -0.57 0.00 0.00 1.10 0.00 0.00 33.01 33.50 3i01 s GLN 464 CO -0.00 -0.10 -0.23 0.08 -0.55 0.00 0.00 175.29 174.48 3i01 s VAL 465 N 0.91 2.03 -0.08 1.34 1.01 0.58 -0.66 120.40 125.53 3i01 s VAL 465 Ca -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.90 3i01 s VAL 465 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.49 3i01 s VAL 465 CO -0.01 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.64 3i01 s THR 466 N 0.51 1.13 -0.29 3.92 2.01 0.33 -0.80 115.64 122.44 3i01 s THR 466 Ca -0.15 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 3i01 s THR 466 Cb -0.17 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.29 3i01 s THR 466 CO 0.05 0.37 0.06 -0.63 -0.69 0.00 0.00 174.62 173.78 3i01 s ILE 467 N 1.02 3.79 -0.57 1.82 1.09 -0.02 -0.77 121.20 127.56 3i01 s ILE 467 Ca -0.08 -0.80 -0.20 0.00 -1.10 0.00 0.00 60.65 58.47 3i01 s ILE 467 Cb -0.15 -2.98 0.08 0.00 -1.06 0.00 0.00 42.46 38.35 3i01 s ILE 467 CO -0.01 0.06 0.75 -0.36 -0.10 0.00 0.00 174.94 175.28 3i01 s PHE 468 N 1.46 2.93 -0.14 3.97 0.40 0.06 -0.92 117.98 125.74 3i01 s PHE 468 Ca 0.02 -0.65 0.11 0.00 -0.60 0.00 0.00 56.93 55.81 3i01 s PHE 468 Cb -0.17 -3.91 -0.23 0.00 0.51 0.00 0.00 43.02 39.21 3i01 s PHE 468 CO 0.02 -1.28 0.29 0.25 0.70 0.00 0.00 175.22 175.20 3i01 n THR 469 N 5.70 1.53 -1.70 0.64 -2.24 -0.97 -2.03 114.28 115.21 3i01 n THR 469 Ca -0.06 -0.78 -0.59 0.00 -2.27 0.00 0.00 64.05 60.35 3i01 n THR 469 Cb 0.44 -0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 67.67 3i01 n THR 469 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i01 n ASP 470 N -3.00 2.07 0.07 3.42 2.03 -0.80 -4.29 116.55 116.04 3i01 n ASP 470 Ca -0.28 1.10 -0.06 0.00 0.52 0.00 0.00 54.79 56.06 3i01 n ASP 470 Cb 1.09 -1.10 0.09 0.00 -0.72 0.00 0.00 41.12 40.48 3i01 n ASP 470 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3i01 h GLU 471 N 6.49 0.31 -0.04 -0.67 4.81 -1.92 -2.84 114.58 120.72 3i01 h GLU 471 Ca -0.46 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3i01 h GLU 471 Cb 1.33 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 3i01 h GLU 471 CO 0.94 0.83 0.01 0.00 -0.73 0.00 0.00 179.01 180.06 3i01 h ALA 472 N 1.12 0.06 -0.84 2.92 0.00 -2.00 -2.98 119.26 117.53 3i01 h ALA 472 Ca -0.01 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 472 Cb 1.14 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 3i01 h ALA 472 CO 0.10 -0.34 0.55 0.87 0.00 0.00 0.00 179.25 180.42 3i01 h LYS 473 N -0.12 0.76 -0.08 0.00 1.79 -1.95 -2.29 116.57 114.69 3i01 h LYS 473 Ca 0.01 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.30 3i01 h LYS 473 Cb 0.20 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3i01 h LYS 473 CO -0.00 0.50 -0.47 0.28 -1.08 0.00 0.00 179.45 178.68 3i01 h VAL 474 N 0.78 1.39 0.00 0.50 2.07 -1.50 -2.05 116.25 117.45 3i01 h VAL 474 Ca 0.40 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3i01 h VAL 474 Cb 0.47 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 3i01 h VAL 474 CO -0.16 0.54 0.00 0.29 0.02 0.00 0.00 177.57 178.26 3i01 n LYS 475 N -4.28 0.05 0.08 1.57 4.01 -1.13 -2.09 118.16 116.37 3i01 n LYS 475 Ca -0.08 0.21 -0.04 0.00 -0.51 0.00 0.00 58.31 57.89 3i01 n LYS 475 Cb 0.59 -1.58 -0.02 0.00 -0.51 0.00 0.00 35.03 33.51 3i01 n LYS 475 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 3i01 h GLU 476 N 0.00 -0.25 0.00 1.97 4.81 -1.15 -3.35 114.58 116.60 3i01 h GLU 476 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3i01 h GLU 476 Cb 0.36 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3i01 h GLU 476 CO 0.00 -0.17 -0.10 1.88 -0.73 0.00 0.00 179.01 179.89 3i01 h TYR 477 N -0.72 0.00 0.00 0.92 -1.99 -1.43 -2.11 116.97 111.64 3i01 h TYR 477 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3i01 h TYR 477 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 3i01 h TYR 477 CO 0.02 0.10 0.05 1.98 -0.00 0.00 0.00 178.16 180.32 3i01 h MET 478 N 0.00 0.00 0.05 4.88 4.05 -1.56 -0.38 114.93 121.97 3i01 h MET 478 Ca -0.00 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.21 3i01 h MET 478 Cb 0.47 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.29 3i01 h MET 478 CO 0.01 0.00 -0.83 0.93 0.23 0.00 0.00 176.91 177.26 3i01 h GLU 479 N 0.00 0.47 0.33 0.39 4.39 -1.55 -1.67 114.58 116.94 3i01 h GLU 479 Ca 0.00 -0.58 -0.00 0.00 0.34 0.00 0.00 59.36 59.12 3i01 h GLU 479 Cb 0.10 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3i01 h GLU 479 CO 0.00 1.22 -0.49 0.28 -1.16 0.00 0.00 179.01 178.85 3i01 h VAL 480 N -0.01 0.00 -0.97 3.13 2.07 -1.25 -2.71 116.25 116.50 3i01 h VAL 480 Ca -0.12 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.54 3i01 h VAL 480 Cb 1.55 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 3i01 h VAL 480 CO 0.16 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.36 3i01 h ALA 481 N -0.80 1.64 0.00 1.67 0.00 -1.39 -1.79 119.26 118.59 3i01 h ALA 481 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 481 Cb 0.79 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i01 h ALA 481 CO -0.15 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3i01 h ARG 482 N 0.87 0.00 0.11 0.00 3.08 -0.97 -2.16 114.38 115.31 3i01 h ARG 482 Ca 0.49 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.25 3i01 h ARG 482 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3i01 h ARG 482 CO -0.26 0.00 -1.50 1.49 -1.07 0.00 0.00 179.97 178.63 3i01 h GLU 483 N 0.00 0.24 -0.46 0.04 4.81 -1.24 -3.11 114.58 114.87 3i01 h GLU 483 Ca 0.00 -0.41 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 3i01 h GLU 483 Cb 0.16 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3i01 h GLU 483 CO 0.00 1.20 0.26 0.87 -0.73 0.00 0.00 179.01 180.61 3i01 h LYS 484 N -0.27 0.51 -0.86 1.92 1.79 -1.42 0.14 116.57 118.37 3i01 h LYS 484 Ca -0.32 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.15 3i01 h LYS 484 Cb 1.79 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 32.27 3i01 h LYS 484 CO 0.05 0.33 0.56 1.88 -1.08 0.00 0.00 179.45 181.20 3i01 h TYR 485 N 0.52 1.04 -0.27 -1.35 0.99 -1.49 0.40 116.97 116.81 3i01 h TYR 485 Ca 0.19 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.83 3i01 h TYR 485 Cb 0.04 -0.35 -0.00 0.00 1.00 0.00 0.00 36.73 37.42 3i01 h TYR 485 CO -0.08 0.60 -0.28 1.57 -0.00 0.00 0.00 178.16 179.96 3i01 h LYS 486 N 1.08 0.66 0.45 4.88 5.09 -1.44 -0.42 116.57 126.87 3i01 h LYS 486 Ca 0.35 -0.36 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 3i01 h LYS 486 Cb 0.02 0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.34 3i01 h LYS 486 CO -0.12 0.96 -0.42 0.93 -2.09 0.00 0.00 179.45 178.71 3i01 h GLU 487 N 0.39 -0.85 -0.09 0.07 5.08 -0.10 -0.82 114.58 118.27 3i01 h GLU 487 Ca 0.04 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3i01 h GLU 487 Cb 0.85 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 3i01 h GLU 487 CO 0.07 -0.56 -0.32 0.00 -1.00 0.00 0.00 179.01 177.20 3i01 h ARG 488 N -0.88 -0.40 -1.01 2.33 3.08 -1.02 0.32 114.38 116.80 3i01 h ARG 488 Ca -0.04 0.03 0.22 0.00 0.07 0.00 0.00 59.98 60.25 3i01 h ARG 488 Cb 0.77 0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.79 3i01 h ARG 488 CO -0.05 -0.27 0.60 -0.44 -1.07 0.00 0.00 179.97 178.75 3i01 h ASP 489 N -0.42 0.72 0.11 7.04 3.32 -0.92 -0.36 116.42 125.93 3i01 h ASP 489 Ca 0.08 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3i01 h ASP 489 Cb 0.55 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3i01 h ASP 489 CO -0.32 0.18 -0.05 0.44 -1.72 0.00 0.00 179.24 177.77 3i01 h ASP 490 N 0.66 -0.12 -0.78 6.45 3.45 -0.36 -3.02 116.42 122.70 3i01 h ASP 490 Ca 0.61 -0.29 0.03 0.00 0.43 0.00 0.00 57.03 57.82 3i01 h ASP 490 Cb 1.08 0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 39.83 3i01 h ASP 490 CO -0.43 0.23 0.50 0.03 -1.57 0.00 0.00 179.24 178.00 3i01 h ARG 491 N -0.50 0.94 -0.48 3.56 3.08 -0.03 -3.07 114.38 117.89 3i01 h ARG 491 Ca -0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3i01 h ARG 491 Cb 0.40 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3i01 h ARG 491 CO 0.02 0.62 0.15 0.52 -1.07 0.00 0.00 179.97 180.22 3i01 h MET 492 N 0.97 0.71 0.00 0.04 2.86 -1.13 0.15 114.93 118.53 3i01 h MET 492 Ca 0.31 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3i01 h MET 492 Cb 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3i01 h MET 492 CO -0.11 0.62 0.00 0.07 1.06 0.00 0.00 176.91 178.55 3i01 h ARG 493 N 0.70 0.00 -0.18 1.72 0.11 -1.43 -2.49 114.38 112.81 3i01 h ARG 493 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3i01 h ARG 493 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 3i01 h ARG 493 CO -0.01 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.47 3i01 n GLY 494 N -0.38 1.40 3.39 0.08 0.00 0.27 -4.69 105.19 105.26 3i01 n GLY 494 Ca 0.00 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.92 5.70 0.45 0.99 0.20 0.28 -4.91 118.68 120.46 3i01 s LEU 495 Ca 0.16 -2.09 0.06 0.00 0.69 0.00 0.00 54.13 52.95 3i01 s LEU 495 Cb 0.09 -2.31 -0.04 0.00 -0.43 0.00 0.00 46.19 43.50 3i01 s LEU 495 CO 0.13 -0.92 0.15 0.42 -0.29 0.00 0.00 176.35 175.84 3i01 s THR 496 N 1.87 1.97 0.16 3.68 -4.23 -1.26 -4.77 115.64 113.06 3i01 s THR 496 Ca 0.22 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 58.82 3i01 s THR 496 Cb -0.12 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.03 3i01 s THR 496 CO -0.05 0.00 1.78 0.44 -0.54 0.00 0.00 174.62 176.25 3i01 h ASP 497 N 1.38 0.62 0.15 3.99 5.19 -1.95 -2.84 116.42 122.96 3i01 h ASP 497 Ca -0.42 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 55.90 3i01 h ASP 497 Cb 1.27 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.62 3i01 h ASP 497 CO 0.71 0.52 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.99 3i01 h GLU 498 N 0.67 0.00 -0.42 3.56 3.07 -2.00 -2.94 114.58 116.52 3i01 h GLU 498 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3i01 h GLU 498 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3i01 h GLU 498 CO -0.03 0.03 0.00 0.25 -1.40 0.00 0.00 179.01 177.86 3i01 n THR 499 N -3.58 0.64 -4.17 1.13 -2.24 -1.08 -4.91 114.28 100.08 3i01 n THR 499 Ca -0.02 -0.82 -0.28 0.00 -2.27 0.00 0.00 64.05 60.66 3i01 n THR 499 Cb 0.13 0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 3i01 n THR 499 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i01 s VAL 500 N -1.27 3.89 -1.33 2.28 -7.23 -1.11 -4.91 120.40 110.73 3i01 s VAL 500 Ca 0.36 -1.23 0.14 0.00 -1.81 0.00 0.00 61.98 59.44 3i01 s VAL 500 Cb 0.21 -2.92 0.32 0.00 0.56 0.00 0.00 36.38 34.54 3i01 s VAL 500 CO 0.28 -0.03 1.23 -0.90 -0.31 0.00 0.00 175.10 175.37 3i01 n ASP 501 N 0.11 2.92 -3.67 4.85 5.68 -1.26 -4.91 116.55 120.27 3i01 n ASP 501 Ca -0.10 -1.90 -0.18 0.00 -0.50 0.00 0.00 54.79 52.12 3i01 n ASP 501 Cb 0.54 -0.22 -0.16 0.00 -1.14 0.00 0.00 41.12 40.13 3i01 n ASP 501 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i01 s THR 502 N -1.05 -0.20 0.49 2.12 2.01 -1.26 0.19 115.64 117.94 3i01 s THR 502 Ca 0.26 0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.60 3i01 s THR 502 Cb 0.14 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.40 3i01 s THR 502 CO 0.19 0.16 0.77 -0.36 -0.69 0.00 0.00 174.62 174.69 3i01 s PHE 503 N 2.21 3.41 0.09 4.92 2.99 -0.25 -4.91 117.98 126.45 3i01 s PHE 503 Ca 0.03 0.61 0.09 0.00 0.00 0.00 0.00 56.93 57.66 3i01 s PHE 503 Cb -0.12 -2.37 -0.04 0.00 0.00 0.00 0.00 43.02 40.49 3i01 s PHE 503 CO -0.05 -0.39 -0.21 0.71 -0.00 0.00 0.00 175.22 175.28 3i01 s TYR 504 N -2.73 2.48 0.52 0.36 1.51 0.03 0.37 117.35 119.88 3i01 s TYR 504 Ca 0.48 -0.30 -0.06 0.00 -1.01 0.00 0.00 57.07 56.18 3i01 s TYR 504 Cb -0.10 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 3i01 s TYR 504 CO 0.43 0.31 0.85 -1.54 -1.11 0.00 0.00 175.55 174.49 3i01 s SER 505 N -1.84 6.14 -0.04 2.29 1.04 -0.58 0.35 113.70 121.05 3i01 s SER 505 Ca 0.16 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.56 3i01 s SER 505 Cb -0.10 -2.19 0.02 0.00 0.10 0.00 0.00 66.02 63.85 3i01 s SER 505 CO 0.07 -0.71 -0.02 0.00 0.98 0.00 0.00 173.24 173.56 3i01 n VAL 507 N 4.29 1.60 -0.19 0.00 0.24 -0.65 -1.16 118.33 122.46 3i01 n VAL 507 Ca -0.22 -2.46 -0.09 0.00 -2.04 0.00 0.00 64.34 59.53 3i01 n VAL 507 Cb 0.50 0.04 0.01 0.00 -1.47 0.00 0.00 33.84 32.93 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 0.76 0.93 0.00 1.34 5.85 -1.91 -2.88 115.31 119.41 3i01 h LEU 508 Ca -0.04 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3i01 h LEU 508 Cb 1.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3i01 h LEU 508 CO 0.02 0.99 0.00 0.00 -0.34 0.00 0.00 178.44 179.11 3i01 n GLN 510 N -1.16 0.02 0.26 0.00 6.02 -1.09 -0.21 117.38 121.23 3i01 n GLN 510 Ca 0.11 0.13 0.11 0.00 -0.01 0.00 0.00 57.00 57.35 3i01 n GLN 510 Cb 0.11 -1.50 0.71 0.00 1.02 0.00 0.00 30.24 30.58 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 -1.79 -3.26 113.55 114.22 3i01 h SER 511 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3i01 h SER 511 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3i01 h SER 511 CO 0.00 0.09 -1.36 0.49 -0.87 0.00 0.00 176.83 175.18 3i01 n PHE 512 N -3.95 0.00 -3.86 4.77 3.01 0.10 -4.86 117.46 112.68 3i01 n PHE 512 Ca -0.02 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.13 3i01 n PHE 512 Cb 0.18 -0.26 -0.11 0.00 -0.01 0.00 0.00 39.48 39.28 3i01 n PHE 512 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i01 s ALA 513 N -2.13 3.76 0.41 4.37 0.00 0.71 -2.52 121.76 126.36 3i01 s ALA 513 Ca -0.04 -3.68 0.21 0.00 0.00 0.00 0.00 51.96 48.45 3i01 s ALA 513 Cb 0.02 -2.30 1.17 0.00 0.00 0.00 0.00 23.12 22.01 3i01 s ALA 513 CO 0.20 -2.09 1.75 -1.35 0.00 0.00 0.00 175.76 174.27 3i01 h PRO 514 N 5.84 0.32 -0.01 0.00 0.11 -1.81 -1.59 132.00 134.86 3i01 h PRO 514 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3i01 h PRO 514 Cb 0.81 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3i01 h PRO 514 CO 0.73 0.21 -0.40 0.09 -0.21 0.00 0.00 178.00 178.42 3i01 n ASN 515 N -4.63 1.50 -4.76 -2.05 3.02 -1.26 -4.84 115.26 102.24 3i01 n ASN 515 Ca 0.27 -1.25 -0.40 0.00 -0.03 0.00 0.00 54.58 53.18 3i01 n ASN 515 Cb 0.98 0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 40.66 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 -2.01 3.58 -0.04 3.10 2.46 -0.60 -4.36 115.29 117.43 3i01 s HIS 516 Ca 0.12 1.72 0.01 0.00 0.47 0.00 0.00 55.06 57.38 3i01 s HIS 516 Cb 0.13 -3.22 0.03 0.00 -0.13 0.00 0.00 32.58 29.38 3i01 s HIS 516 CO 0.45 -0.44 -0.01 0.08 -2.47 0.00 0.00 174.74 172.34 3i01 s VAL 517 N -1.25 0.30 0.08 0.89 1.01 -1.26 -4.66 120.40 115.51 3i01 s VAL 517 Ca 0.46 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 3i01 s VAL 517 Cb -0.30 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 3i01 s VAL 517 CO 0.38 0.17 0.41 0.00 0.00 0.00 0.00 175.10 176.06 3i01 s ILE 519 N -1.39 3.60 -0.35 0.00 -1.09 -1.26 -0.41 121.20 120.30 3i01 s ILE 519 Ca 0.33 -0.69 -0.10 0.00 -2.23 0.00 0.00 60.65 57.96 3i01 s ILE 519 Cb -0.14 -2.79 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 3i01 s ILE 519 CO 0.18 0.20 0.17 -0.69 -1.23 0.00 0.00 174.94 173.58 3i01 s VAL 520 N 1.46 4.41 0.34 2.92 1.01 0.15 -4.88 120.40 125.81 3i01 s VAL 520 Ca 0.03 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.25 3i01 s VAL 520 Cb -0.16 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3i01 s VAL 520 CO -0.00 -0.16 0.26 0.42 0.00 0.00 0.00 175.10 175.61 3i01 s THR 521 N 1.53 3.43 0.41 3.92 -4.23 -0.89 -0.79 115.64 119.03 3i01 s THR 521 Ca 0.02 -1.44 0.16 0.00 -1.18 0.00 0.00 61.69 59.25 3i01 s THR 521 Cb -0.19 -3.14 0.37 0.00 1.34 0.00 0.00 72.50 70.88 3i01 s THR 521 CO 0.06 -0.18 1.87 -0.65 -0.54 0.00 0.00 174.62 175.18 3i01 h PRO 522 N 1.32 0.42 -0.50 3.99 0.11 -1.91 -2.43 132.00 133.00 3i01 h PRO 522 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i01 h PRO 522 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i01 h PRO 522 CO 0.59 0.28 0.00 0.39 -0.21 0.00 0.00 178.00 179.05 3i01 n GLU 523 N -4.51 3.93 -3.30 1.05 1.02 -1.26 -4.70 120.64 112.86 3i01 n GLU 523 Ca 0.18 -2.93 -0.10 0.00 -0.02 0.00 0.00 57.16 54.28 3i01 n GLU 523 Cb 0.64 -1.99 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.41 0.71 0.80 3.49 3.52 -0.92 -4.59 118.95 119.55 3i01 s ARG 524 Ca 0.48 -0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 55.30 3i01 s ARG 524 Cb 0.35 -0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 3i01 s ARG 524 CO 0.17 -1.19 0.42 1.55 -0.81 0.00 0.00 175.30 175.44 3i01 n VAL 525 N 4.31 1.15 -1.55 7.11 3.14 -1.26 -2.09 118.33 129.15 3i01 n VAL 525 Ca 0.11 -0.34 -0.43 0.00 -2.96 0.00 0.00 64.34 60.72 3i01 n VAL 525 Cb 0.49 -0.66 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 3i01 n VAL 525 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i01 n GLY 526 N 1.70 -0.70 0.33 7.55 0.00 0.19 -4.67 105.19 109.59 3i01 n GLY 526 Ca 0.08 0.18 0.22 0.00 0.00 0.00 0.00 46.02 46.51 3i01 n GLY 526 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3i01 h LEU 527 N 1.41 0.00 -0.56 0.99 8.10 -1.88 -1.26 115.31 122.11 3i01 h LEU 527 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.58 3i01 h LEU 527 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.58 3i01 h LEU 527 CO 0.56 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.89 3i01 n GLY 529 N 0.63 0.66 0.03 0.00 0.00 -0.47 -4.70 105.19 101.34 3i01 n GLY 529 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3i01 n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 n ALA 530 N 0.75 2.28 -3.78 4.61 0.00 -1.26 -4.92 120.51 118.19 3i01 n ALA 530 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 53.44 52.41 3i01 n ALA 530 Cb 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 3i01 n ALA 530 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i01 s VAL 531 N -0.48 0.96 0.47 0.00 1.01 -1.26 -5.02 120.40 116.07 3i01 s VAL 531 Ca 0.01 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.78 3i01 s VAL 531 Cb 0.01 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3i01 s VAL 531 CO 0.01 -0.47 0.70 -0.94 0.00 0.00 0.00 175.10 174.40 3i01 s SER 532 N 1.61 5.74 0.26 3.32 1.04 -1.26 0.55 113.70 124.96 3i01 s SER 532 Ca 0.05 0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.69 3i01 s SER 532 Cb -0.18 -1.44 0.53 0.00 0.10 0.00 0.00 66.02 65.03 3i01 s SER 532 CO -0.17 -0.79 1.62 -0.25 0.98 0.00 0.00 173.24 174.64 3i01 h TRP 533 N 0.32 -0.01 -0.34 5.02 7.01 -1.87 0.20 115.95 126.28 3i01 h TRP 533 Ca -0.45 0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.55 3i01 h TRP 533 Cb 1.26 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.44 3i01 h TRP 533 CO 0.44 -0.28 0.01 -0.07 -2.79 0.00 0.00 178.44 175.75 3i01 h LEU 534 N 0.10 0.59 -0.28 0.65 3.38 -1.94 0.35 115.31 118.16 3i01 h LEU 534 Ca 0.47 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.20 3i01 h LEU 534 Cb 0.86 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 3i01 h LEU 534 CO -0.72 0.75 -0.30 0.44 0.09 0.00 0.00 178.44 178.69 3i01 h ASP 535 N 0.42 -0.98 -0.57 -0.43 3.32 -1.46 -0.31 116.42 116.41 3i01 h ASP 535 Ca 0.10 0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 3i01 h ASP 535 Cb 0.44 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3i01 h ASP 535 CO 0.02 -0.32 0.08 0.00 -1.72 0.00 0.00 179.24 177.30 3i01 h ALA 536 N 0.67 1.00 -0.19 3.45 0.00 -0.18 -0.61 119.26 123.40 3i01 h ALA 536 Ca 0.14 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3i01 h ALA 536 Cb 0.52 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3i01 h ALA 536 CO -0.44 0.63 -0.08 -0.22 0.00 0.00 0.00 179.25 179.14 3i01 h LYS 537 N 0.93 -0.05 -0.32 0.00 3.64 -0.10 0.40 116.57 121.07 3i01 h LYS 537 Ca 0.19 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3i01 h LYS 537 Cb 0.43 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 3i01 h LYS 537 CO 0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.16 3i01 h ALA 538 N 1.12 0.29 -0.87 5.00 0.00 -0.82 -1.01 119.26 122.97 3i01 h ALA 538 Ca 0.10 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3i01 h ALA 538 Cb 0.20 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3i01 h ALA 538 CO -0.22 -0.40 0.55 1.03 0.00 0.00 0.00 179.25 180.21 3i01 h SER 539 N 0.10 0.89 -0.02 0.00 0.87 -0.41 0.94 113.55 115.91 3i01 h SER 539 Ca 0.16 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3i01 h SER 539 Cb 0.21 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3i01 h SER 539 CO -0.26 0.59 0.01 0.22 -0.53 0.00 0.00 176.83 176.86 3i01 h TYR 540 N 1.04 0.03 -0.78 2.24 3.20 -0.83 -1.68 116.97 120.18 3i01 h TYR 540 Ca 0.37 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.39 3i01 h TYR 540 Cb 0.10 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3i01 h TYR 540 CO -0.02 0.15 0.52 0.93 -1.64 0.00 0.00 178.16 178.09 3i01 h GLU 541 N -0.09 0.41 -0.16 1.82 4.39 -0.72 -2.01 114.58 118.22 3i01 h GLU 541 Ca 0.01 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 3i01 h GLU 541 Cb 0.13 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3i01 h GLU 541 CO -0.00 0.27 -0.64 0.82 -1.16 0.00 0.00 179.01 178.30 3i01 h ILE 542 N 0.42 1.30 -1.70 3.13 2.04 -0.66 -3.45 117.51 118.60 3i01 h ILE 542 Ca 0.39 -1.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.31 3i01 h ILE 542 Cb 0.89 1.98 -0.27 0.00 -0.74 0.00 0.00 36.82 38.69 3i01 h ILE 542 CO -0.13 0.59 -0.39 0.21 0.00 0.00 0.00 178.15 178.42 3i01 s ASN 543 N -6.93 -0.34 0.39 1.72 2.47 -0.65 -4.93 114.94 106.67 3i01 s ASN 543 Ca -0.11 0.54 0.20 0.00 0.42 0.00 0.00 52.86 53.91 3i01 s ASN 543 Cb 0.08 1.49 0.68 0.00 -1.45 0.00 0.00 41.25 42.06 3i01 s ASN 543 CO 0.88 -0.28 1.73 0.45 -3.72 0.00 0.00 177.10 176.16 3i01 h HIS 544 N 8.12 0.00 0.00 0.43 3.86 -1.78 -2.37 115.15 123.41 3i01 h HIS 544 Ca -0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3i01 h HIS 544 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 3i01 h HIS 544 CO 0.13 0.33 0.00 0.00 0.86 0.00 0.00 177.93 179.25 3i01 h ALA 545 N 1.67 1.00 -3.00 2.45 0.00 -1.92 -3.48 119.26 115.98 3i01 h ALA 545 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i01 h ALA 545 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i01 h ALA 545 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3i01 n GLY 546 N 0.47 -1.53 0.00 0.00 0.00 -0.89 -4.89 105.19 98.35 3i01 n GLY 546 Ca 0.02 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.65 3i01 n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i01 n PRO 547 N -0.25 0.50 -4.56 1.61 -0.04 -1.26 -4.67 135.00 126.33 3i01 n PRO 547 Ca 0.00 0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.21 3i01 n PRO 547 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 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 -2.42 2.41 -0.03 3.54 -0.87 -1.26 -1.64 114.94 114.67 3i01 s ASN 548 Ca 0.29 -0.42 0.02 0.00 -1.57 0.00 0.00 52.86 51.18 3i01 s ASN 548 Cb 0.18 -1.09 0.01 0.00 -0.02 0.00 0.00 41.25 40.33 3i01 s ASN 548 CO 0.38 0.04 -0.08 -1.10 -2.57 0.00 0.00 177.10 173.76 3i01 s GLN 549 N 0.86 0.98 0.24 -0.60 -0.21 -1.24 -4.14 119.66 115.55 3i01 s GLN 549 Ca -0.09 -0.28 -0.30 0.00 0.02 0.00 0.00 55.36 54.71 3i01 s GLN 549 Cb -0.15 -0.91 -0.10 0.00 1.00 0.00 0.00 33.01 32.85 3i01 s GLN 549 CO 0.00 0.08 1.46 -1.25 -2.12 0.00 0.00 175.29 173.47 3i01 s PRO 550 N 0.32 4.25 -0.25 2.91 0.04 -1.26 -1.53 135.00 139.48 3i01 s PRO 550 Ca -0.05 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.32 3i01 s PRO 550 Cb -0.10 -3.11 0.05 0.00 0.04 0.00 0.00 34.50 31.38 3i01 s PRO 550 CO 0.01 -0.46 -0.11 0.42 0.04 0.00 0.00 177.00 176.90 3i01 s ILE 551 N 0.17 2.34 0.13 0.56 1.01 0.16 -4.91 121.20 120.66 3i01 s ILE 551 Ca 0.61 -1.42 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 3i01 s ILE 551 Cb -0.42 -2.29 -0.11 0.00 0.01 0.00 0.00 42.46 39.65 3i01 s ILE 551 CO 0.42 0.08 1.82 -2.16 0.00 0.00 0.00 174.94 175.10 3i01 s PRO 552 N 1.18 4.13 -1.18 2.79 0.04 -1.26 -1.09 135.00 139.61 3i01 s PRO 552 Ca -0.05 2.61 -0.19 0.00 0.04 0.00 0.00 61.00 63.40 3i01 s PRO 552 Cb -0.18 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 3i01 s PRO 552 CO -0.06 -0.84 1.93 1.17 0.04 0.00 0.00 177.00 179.25 3i01 n LYS 553 N 5.51 2.29 -4.09 4.56 4.81 0.13 -4.67 118.16 126.70 3i01 n LYS 553 Ca 0.18 -2.60 -0.07 0.00 -0.87 0.00 0.00 58.31 54.94 3i01 n LYS 553 Cb 0.38 -3.40 -0.10 0.00 0.02 0.00 0.00 35.03 31.93 3i01 n LYS 553 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3i01 s GLU 554 N 4.86 0.60 -0.56 1.64 2.02 -1.26 -4.83 118.70 121.17 3i01 s GLU 554 Ca 0.58 -1.19 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 3i01 s GLU 554 Cb 0.07 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.48 3i01 s GLU 554 CO 0.07 -0.10 0.12 0.41 0.02 0.00 0.00 175.26 175.78 3i01 n GLY 555 N 0.20 0.19 3.59 -1.39 0.00 -1.26 -2.05 105.19 104.47 3i01 n GLY 555 Ca -0.15 -0.52 -0.58 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.78 0.45 -0.02 1.61 2.13 -1.26 -0.59 120.64 121.17 3i01 n GLU 556 Ca -0.06 0.16 -0.02 0.00 0.66 0.00 0.00 57.16 57.91 3i01 n GLU 556 Cb 0.55 -1.73 -0.04 0.00 0.27 0.00 0.00 31.44 30.49 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 2.58 0.31 -3.23 6.31 5.41 0.98 -4.84 119.36 126.88 3i01 n ILE 557 Ca 0.22 -0.20 0.04 0.00 1.00 0.00 0.00 62.75 63.80 3i01 n ILE 557 Cb 0.09 -0.75 -0.02 0.00 -0.71 0.00 0.00 39.64 38.25 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 -3.52 -0.99 0.10 4.38 -1.08 -0.84 -4.97 116.67 109.74 3i01 s ASP 558 Ca -0.02 0.77 0.24 0.00 -0.52 0.00 0.00 52.55 53.01 3i01 s ASP 558 Cb 0.02 1.89 0.36 0.00 -1.46 0.00 0.00 42.92 43.73 3i01 s ASP 558 CO 0.21 -0.19 1.33 -0.81 0.52 0.00 0.00 175.17 176.23 3i01 n PRO 559 N 5.39 0.25 -0.03 4.34 -0.04 -1.26 -0.35 135.00 143.29 3i01 n PRO 559 Ca -0.05 0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.33 3i01 n PRO 559 Cb 0.52 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 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 1.50 0.00 0.52 1.08 -1.97 -3.34 117.51 115.31 3i01 h ILE 560 Ca 0.00 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 3i01 h ILE 560 Cb 0.70 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 3i01 h ILE 560 CO 0.00 0.47 -0.42 0.11 -0.69 0.00 0.00 178.15 177.62 3i01 h LYS 561 N -0.45 0.00 -2.08 2.37 1.57 -1.92 -3.34 116.57 112.72 3i01 h LYS 561 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3i01 h LYS 561 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3i01 h LYS 561 CO 0.04 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.33 3i01 n GLY 562 N 1.15 0.51 3.47 3.86 0.00 -0.38 -1.99 105.19 111.80 3i01 n GLY 562 Ca 0.02 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.95 4.03 -0.06 -0.61 1.01 0.52 -1.39 121.20 121.75 3i01 s ILE 563 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3i01 s ILE 563 Cb 0.00 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3i01 s ILE 563 CO 0.00 0.43 -0.18 0.26 0.00 0.00 0.00 174.94 175.45 3i01 s TRP 564 N 0.93 1.91 0.20 3.97 0.51 -1.26 -0.01 118.94 125.19 3i01 s TRP 564 Ca 0.01 -0.66 -0.10 0.00 -2.12 0.00 0.00 56.10 53.23 3i01 s TRP 564 Cb -0.14 -1.31 0.25 0.00 -0.81 0.00 0.00 33.47 31.46 3i01 s TRP 564 CO 0.02 -0.26 1.77 -0.22 -0.51 0.00 0.00 176.95 177.74 3i01 h LYS 565 N 6.55 0.49 0.00 4.98 1.63 -0.86 -1.84 116.57 127.53 3i01 h LYS 565 Ca -0.29 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.44 3i01 h LYS 565 Cb 1.19 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 3i01 h LYS 565 CO 0.47 0.32 -0.19 0.66 -3.45 0.00 0.00 179.45 177.26 3i01 h SER 566 N 0.50 0.00 0.04 4.20 4.64 -1.66 -0.29 113.55 120.99 3i01 h SER 566 Ca 0.29 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.45 3i01 h SER 566 Cb 0.29 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3i01 h SER 566 CO -0.25 0.19 -0.68 0.58 -0.87 0.00 0.00 176.83 175.81 3i01 h VAL 567 N 0.00 1.44 -0.38 0.95 2.07 -1.69 -2.53 116.25 116.12 3i01 h VAL 567 Ca -0.00 -2.20 0.05 0.00 0.82 0.00 0.00 66.70 65.37 3i01 h VAL 567 Cb 0.42 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.88 3i01 h VAL 567 CO 0.02 0.64 0.11 0.78 0.02 0.00 0.00 177.57 179.14 3i01 h ASN 568 N -0.14 0.09 -0.51 0.57 2.35 -0.88 -0.39 115.58 116.67 3i01 h ASN 568 Ca -0.10 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3i01 h ASN 568 Cb 1.42 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.82 3i01 h ASN 568 CO 0.13 0.09 0.15 0.44 -1.65 0.00 0.00 177.43 176.58 3i01 h ASP 569 N 0.25 0.75 0.11 5.81 3.32 -1.11 -1.78 116.42 123.78 3i01 h ASP 569 Ca 0.18 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3i01 h ASP 569 Cb 0.18 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3i01 h ASP 569 CO -0.20 0.77 -0.13 0.22 -1.72 0.00 0.00 179.24 178.17 3i01 h TYR 570 N 0.69 -0.35 -0.50 4.55 3.20 -1.24 -3.15 116.97 120.18 3i01 h TYR 570 Ca 0.16 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.14 3i01 h TYR 570 Cb 0.29 0.14 -0.10 0.00 1.54 0.00 0.00 36.73 38.61 3i01 h TYR 570 CO 0.02 -0.21 -0.14 1.25 -1.64 0.00 0.00 178.16 177.44 3i01 h LEU 571 N -0.28 -0.52 -0.38 2.82 6.46 -0.82 0.93 115.31 123.52 3i01 h LEU 571 Ca 0.01 0.16 0.08 0.00 -0.12 0.00 0.00 57.88 58.00 3i01 h LEU 571 Cb 0.28 0.33 -0.09 0.00 -0.73 0.00 0.00 40.66 40.45 3i01 h LEU 571 CO -0.05 -0.18 -0.35 0.22 -0.62 0.00 0.00 178.44 177.45 3i01 h TYR 572 N -0.02 -0.99 -0.05 1.25 3.20 -1.25 0.62 116.97 119.74 3i01 h TYR 572 Ca 0.24 0.06 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 3i01 h TYR 572 Cb 0.39 0.49 0.01 0.00 1.54 0.00 0.00 36.73 39.15 3i01 h TYR 572 CO -0.44 -0.40 -0.35 1.15 -1.64 0.00 0.00 178.16 176.48 3i01 h THR 573 N -0.28 1.44 -0.62 1.81 2.02 -1.47 0.24 112.91 116.05 3i01 h THR 573 Ca 0.16 -1.81 0.01 0.00 0.77 0.00 0.00 66.41 65.54 3i01 h THR 573 Cb 0.55 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 3i01 h THR 573 CO -0.54 0.52 0.41 0.00 0.37 0.00 0.00 175.52 176.28 3i01 h ALA 574 N 0.39 1.56 0.00 6.16 0.00 -0.57 -1.51 119.26 125.29 3i01 h ALA 574 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i01 h ALA 574 Cb 1.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3i01 h ALA 574 CO 0.07 0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.60 3i01 n SER 575 N -4.44 0.11 -3.76 0.00 3.41 0.22 -4.84 113.62 104.31 3i01 n SER 575 Ca 0.06 -1.99 -0.27 0.00 -0.26 0.00 0.00 58.87 56.41 3i01 n SER 575 Cb 0.04 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.45 -5.00 -0.74 4.04 3.02 -0.57 -2.37 115.26 113.20 3i01 n ASN 576 Ca 0.00 -0.69 -0.09 0.00 -0.03 0.00 0.00 54.58 53.77 3i01 n ASN 576 Cb 0.03 -4.37 -0.03 0.00 -0.61 0.00 0.00 39.78 34.79 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 -4.75 -0.63 -0.01 3.52 1.74 0.82 -4.92 116.66 112.42 3i01 n ARG 577 Ca -0.01 0.75 -0.04 0.00 -0.77 0.00 0.00 57.85 57.78 3i01 n ARG 577 Cb 0.56 -4.64 -0.12 0.00 -1.02 0.00 0.00 32.46 27.23 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 0.52 0.68 -4.25 0.55 3.02 -1.00 -4.89 115.26 109.89 3i01 n ASN 578 Ca -0.09 0.31 -0.25 0.00 -0.03 0.00 0.00 54.58 54.51 3i01 n ASN 578 Cb 0.34 0.32 -0.14 0.00 -0.61 0.00 0.00 39.78 39.69 3i01 n ASN 578 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i01 s LEU 579 N -5.77 2.18 -0.12 3.41 1.43 -1.26 -5.04 118.68 113.51 3i01 s LEU 579 Ca -0.05 -0.54 0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3i01 s LEU 579 Cb 0.08 -0.96 -0.19 0.00 0.03 0.00 0.00 46.19 45.15 3i01 s LEU 579 CO 0.82 0.15 0.11 -0.62 0.23 0.00 0.00 176.35 177.04 3i01 n GLU 580 N 1.78 1.37 -3.76 1.70 1.02 -1.26 -3.07 120.64 118.42 3i01 n GLU 580 Ca -0.17 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.80 3i01 n GLU 580 Cb 0.53 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.48 3i01 n GLU 580 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3i01 s GLN 581 N -2.51 0.56 -0.02 3.49 0.74 -1.26 -4.65 119.66 116.01 3i01 s GLN 581 Ca -0.07 0.08 0.02 0.00 0.05 0.00 0.00 55.36 55.45 3i01 s GLN 581 Cb 0.06 0.25 -0.00 0.00 1.10 0.00 0.00 33.01 34.42 3i01 s GLN 581 CO 0.61 -0.13 -0.09 0.54 -0.55 0.00 0.00 175.29 175.68 3i01 s VAL 582 N -0.71 0.73 -0.21 1.34 0.11 -1.26 -4.86 120.40 115.55 3i01 s VAL 582 Ca -0.08 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 58.52 3i01 s VAL 582 Cb -0.04 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 3i01 s VAL 582 CO 0.03 0.22 0.12 0.00 -3.33 0.00 0.00 175.10 172.14 3i01 n LEU 584 N 3.77 0.41 -0.21 0.00 4.77 -0.49 -3.87 117.00 121.39 3i01 n LEU 584 Ca -0.16 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 3i01 n LEU 584 Cb 0.52 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 3i01 n LEU 584 CO 0.36 0.04 0.43 -1.22 -1.33 0.00 0.00 177.39 175.67 3i01 n TYR 585 N -1.66 0.00 -4.12 -1.77 0.53 -0.84 -4.86 117.16 104.43 3i01 n TYR 585 Ca 0.06 -0.55 -0.09 0.00 -1.02 0.00 0.00 57.90 56.29 3i01 n TYR 585 Cb 0.36 -0.10 -0.10 0.00 -1.03 0.00 0.00 39.34 38.47 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 -1.54 0.49 -0.05 -0.72 -1.32 -1.25 -1.46 115.64 109.79 3i01 s THR 586 Ca 0.16 -1.77 0.17 0.00 -1.21 0.00 0.00 61.69 59.04 3i01 s THR 586 Cb 0.14 -1.47 -0.27 0.00 -1.51 0.00 0.00 72.50 69.39 3i01 s THR 586 CO 0.02 -0.86 0.34 -0.11 -2.21 0.00 0.00 174.62 171.80 3i01 n LEU 587 N 0.21 0.00 -0.01 9.08 7.94 -1.26 -4.52 117.00 128.44 3i01 n LEU 587 Ca -0.14 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 54.86 3i01 n LEU 587 Cb 0.60 0.06 -0.14 0.00 0.53 0.00 0.00 43.42 44.47 3i01 n LEU 587 CO 0.28 0.06 -0.46 0.23 -1.11 0.00 0.00 177.39 176.39 3i01 n MET 588 N -2.19 0.59 -4.02 1.96 2.81 -1.26 -0.71 117.12 114.30 3i01 n MET 588 Ca -0.07 -0.11 -0.20 0.00 -1.81 0.00 0.00 57.70 55.51 3i01 n MET 588 Cb 0.55 -1.45 -0.17 0.00 -0.71 0.00 0.00 33.22 31.44 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 -3.17 0.68 -1.52 0.03 2.12 -1.26 -4.72 118.70 110.86 3i01 s GLU 589 Ca -0.01 -0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.27 3i01 s GLU 589 Cb 0.14 -0.81 0.00 0.00 0.26 0.00 0.00 34.13 33.72 3i01 s GLU 589 CO 0.82 -0.15 0.06 0.09 -0.54 0.00 0.00 175.26 175.54 3i01 n ASN 590 N 4.34 0.54 -4.69 -1.70 3.02 -1.26 -4.35 115.26 111.15 3i01 n ASN 590 Ca -0.21 -1.28 -0.30 0.00 -0.03 0.00 0.00 54.58 52.76 3i01 n ASN 590 Cb 0.51 -1.61 0.15 0.00 -0.61 0.00 0.00 39.78 38.21 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 -7.39 1.23 0.63 3.52 0.04 -1.26 -1.54 135.00 130.23 3i01 s PRO 591 Ca 0.04 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 3i01 s PRO 591 Cb -0.02 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 3i01 s PRO 591 CO 1.00 -2.36 1.20 1.41 0.04 0.00 0.00 177.00 178.29 3i01 s MET 592 N -4.78 2.76 0.60 4.56 1.75 -1.26 -4.74 119.30 118.20 3i01 s MET 592 Ca 0.64 1.78 0.06 0.00 -1.25 0.00 0.00 55.69 56.92 3i01 s MET 592 Cb -0.20 -1.91 0.11 0.00 2.84 0.00 0.00 34.83 35.67 3i01 s MET 592 CO 0.58 -1.36 0.83 0.25 -0.65 0.00 0.00 175.02 174.67 3i01 n THR 593 N -1.92 0.00 -4.08 10.11 -2.24 -1.26 -4.76 114.28 110.14 3i01 n THR 593 Ca 0.13 -1.70 -0.10 0.00 -2.27 0.00 0.00 64.05 60.11 3i01 n THR 593 Cb 0.50 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.94 3i01 n THR 593 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i01 s SER 594 N -4.58 0.67 -0.01 3.42 0.01 -1.26 -4.86 113.70 107.09 3i01 s SER 594 Ca 0.60 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 3i01 s SER 594 Cb -0.04 0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 3i01 s SER 594 CO 0.39 -0.41 -0.01 0.00 0.41 0.00 0.00 173.24 173.61 3i01 n GLY 596 N 1.70 0.00 1.44 0.00 0.00 -1.26 -0.50 105.19 106.56 3i01 n GLY 596 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 1.35 0.87 0.10 0.00 1.16 -1.26 -4.42 117.46 115.26 3i01 n PHE 598 Ca 0.25 0.54 -0.03 0.00 -1.87 0.00 0.00 57.45 56.34 3i01 n PHE 598 Cb 0.74 -2.18 -0.05 0.00 -1.61 0.00 0.00 39.48 36.39 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 1.27 0.00 -3.81 3.97 5.08 -1.23 -3.44 114.58 116.41 3i01 h GLU 599 Ca -0.45 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 3i01 h GLU 599 Cb 1.35 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.50 3i01 h GLU 599 CO 0.55 0.77 -0.21 0.00 -1.00 0.00 0.00 179.01 179.12 3i01 s ALA 600 N -2.84 -0.01 -0.12 3.43 0.00 -0.83 -1.64 121.76 119.75 3i01 s ALA 600 Ca 0.02 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 3i01 s ALA 600 Cb 0.09 1.11 0.05 0.00 0.00 0.00 0.00 23.12 24.37 3i01 s ALA 600 CO 0.79 -0.80 0.27 0.42 0.00 0.00 0.00 175.76 176.43 3i01 s ILE 601 N -4.04 -0.11 0.06 0.00 1.01 -0.31 -2.22 121.20 115.59 3i01 s ILE 601 Ca 0.25 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 3i01 s ILE 601 Cb 0.01 -0.42 -0.06 0.00 0.01 0.00 0.00 42.46 42.00 3i01 s ILE 601 CO 0.09 0.07 0.42 -0.04 0.00 0.00 0.00 174.94 175.48 3i01 s MET 602 N 1.48 3.85 -0.02 2.79 -1.94 -0.75 -1.38 119.30 123.32 3i01 s MET 602 Ca -0.08 0.32 -0.00 0.00 -1.71 0.00 0.00 55.69 54.22 3i01 s MET 602 Cb -0.10 -3.08 0.03 0.00 2.01 0.00 0.00 34.83 33.68 3i01 s MET 602 CO -0.09 0.60 0.04 0.00 -0.01 0.00 0.00 175.02 175.57 3i01 s ALA 603 N -1.28 0.01 0.52 3.03 0.00 -0.85 -2.10 121.76 121.10 3i01 s ALA 603 Ca 0.30 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.36 3i01 s ALA 603 Cb -0.15 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 3i01 s ALA 603 CO 0.16 -0.10 1.29 0.96 0.00 0.00 0.00 175.76 178.08 3i01 s ILE 604 N 0.93 2.41 -0.62 0.00 -5.25 0.95 -1.49 121.20 118.13 3i01 s ILE 604 Ca -0.08 0.30 0.05 0.00 -0.99 0.00 0.00 60.65 59.94 3i01 s ILE 604 Cb -0.11 -3.15 0.19 0.00 2.95 0.00 0.00 42.46 42.33 3i01 s ILE 604 CO -0.03 -0.01 0.50 0.18 -1.79 0.00 0.00 174.94 173.80 3i01 n LEU 605 N -0.89 2.30 -0.34 0.37 4.77 0.25 -4.84 117.00 118.63 3i01 n LEU 605 Ca 0.10 -5.06 0.16 0.00 -0.03 0.00 0.00 56.01 51.18 3i01 n LEU 605 Cb 0.46 -0.42 0.32 0.00 -2.33 0.00 0.00 43.42 41.45 3i01 n LEU 605 CO 0.51 1.84 0.83 -0.65 -1.33 0.00 0.00 177.39 178.59 3i01 h PRO 606 N 5.19 0.02 0.00 3.23 0.11 -1.94 -0.63 132.00 137.98 3i01 h PRO 606 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3i01 h PRO 606 Cb 0.78 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3i01 h PRO 606 CO 0.65 0.01 0.00 -1.91 -0.21 0.00 0.00 178.00 176.54 3i01 n GLU 607 N -5.46 0.17 -0.07 1.05 2.13 -1.26 -2.10 120.64 115.11 3i01 n GLU 607 Ca 0.24 0.47 0.07 0.00 0.66 0.00 0.00 57.16 58.60 3i01 n GLU 607 Cb 0.81 -1.87 0.10 0.00 0.27 0.00 0.00 31.44 30.75 3i01 n GLU 607 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i01 n ASN 609 N 0.75 -3.19 0.00 0.00 5.15 -0.89 -4.31 115.26 112.77 3i01 n ASN 609 Ca 0.10 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 3i01 n ASN 609 Cb 0.38 -2.73 0.00 0.00 -0.53 0.00 0.00 39.78 36.90 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 -0.80 3.84 3.32 8.20 0.00 -1.22 -4.68 105.19 113.86 3i01 n GLY 610 Ca -0.09 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.67 1.78 0.24 -0.61 -4.36 -0.12 0.85 121.20 117.31 3i01 s ILE 611 Ca 0.00 -1.85 0.07 0.00 -0.26 0.00 0.00 60.65 58.61 3i01 s ILE 611 Cb 0.00 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 3i01 s ILE 611 CO 0.00 -0.28 0.20 0.00 0.24 0.00 0.00 174.94 175.09 3i01 s MET 612 N -2.66 2.94 -0.01 0.37 0.23 -0.55 -0.63 119.30 118.98 3i01 s MET 612 Ca 0.14 -1.03 0.05 0.00 -1.03 0.00 0.00 55.69 53.82 3i01 s MET 612 Cb -0.06 -2.58 -0.01 0.00 -1.53 0.00 0.00 34.83 30.65 3i01 s MET 612 CO 0.06 0.41 -0.16 0.42 -2.03 0.00 0.00 175.02 173.72 3i01 s ILE 613 N -2.10 1.29 0.31 3.16 1.01 0.67 -2.00 121.20 123.53 3i01 s ILE 613 Ca 0.33 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3i01 s ILE 613 Cb -0.08 -1.07 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 3i01 s ILE 613 CO 0.25 0.36 0.07 0.28 0.00 0.00 0.00 174.94 175.90 3i01 s THR 614 N -0.34 1.03 0.19 2.92 -1.32 -0.48 -3.88 115.64 113.76 3i01 s THR 614 Ca 0.05 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.57 3i01 s THR 614 Cb -0.07 -2.75 -0.05 0.00 -1.51 0.00 0.00 72.50 68.12 3i01 s THR 614 CO -0.00 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 172.80 3i01 s THR 615 N -3.41 0.96 0.33 5.08 -4.23 -1.26 -1.16 115.64 111.94 3i01 s THR 615 Ca 0.37 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 3i01 s THR 615 Cb 0.08 -2.16 0.26 0.00 1.34 0.00 0.00 72.50 72.03 3i01 s THR 615 CO 0.15 -0.47 1.99 -0.09 -0.54 0.00 0.00 174.62 175.67 3i01 h ARG 616 N 2.61 0.93 0.00 3.99 2.43 -1.61 -0.55 114.38 122.17 3i01 h ARG 616 Ca -0.37 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3i01 h ARG 616 Cb 1.21 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3i01 h ARG 616 CO 0.64 0.62 0.00 -0.25 -1.51 0.00 0.00 179.97 179.46 3i01 n ASP 617 N -4.43 0.52 -4.56 -3.80 8.00 -1.26 -4.74 116.55 106.29 3i01 n ASP 617 Ca 0.07 0.57 -0.41 0.00 0.71 0.00 0.00 54.79 55.73 3i01 n ASP 617 Cb 0.04 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.36 3i01 n ASP 617 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i01 s HIS 618 N -3.12 3.17 -0.02 1.24 2.46 -0.22 -4.92 115.29 113.88 3i01 s HIS 618 Ca 0.09 0.22 0.11 0.00 0.47 0.00 0.00 55.06 55.96 3i01 s HIS 618 Cb 0.13 -2.98 -0.10 0.00 -0.13 0.00 0.00 32.58 29.49 3i01 s HIS 618 CO 0.50 -0.56 1.25 0.00 -2.47 0.00 0.00 174.74 173.45 3i01 h ALA 619 N 8.46 0.53 -2.44 1.58 0.00 -1.85 -3.40 119.26 122.15 3i01 h ALA 619 Ca -0.27 -0.78 -0.53 0.00 0.00 0.00 0.00 54.91 53.33 3i01 h ALA 619 Cb 1.12 -0.04 0.19 0.00 0.00 0.00 0.00 17.79 19.06 3i01 h ALA 619 CO 0.79 1.02 0.28 0.20 0.00 0.00 0.00 179.25 181.54 3i01 s GLY 620 N -4.66 1.93 0.69 0.00 0.00 -1.26 -4.67 107.32 99.35 3i01 s GLY 620 Ca 0.01 0.73 -0.17 0.00 0.00 0.00 0.00 44.72 45.29 3i01 s GLY 620 CO 0.79 1.15 1.26 -0.13 0.00 0.00 0.00 173.10 176.17 3i01 n MET 621 N -3.78 0.86 -4.38 2.90 1.56 -1.26 -4.39 117.12 108.63 3i01 n MET 621 Ca 0.13 0.36 -0.19 0.00 -0.27 0.00 0.00 57.70 57.72 3i01 n MET 621 Cb 0.51 -2.50 -0.10 0.00 2.15 0.00 0.00 33.22 33.28 3i01 n MET 621 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3i01 s THR 622 N -1.58 1.67 -0.01 1.12 -4.23 -1.17 -4.78 115.64 106.66 3i01 s THR 622 Ca 0.80 -2.17 0.29 0.00 -1.18 0.00 0.00 61.69 59.43 3i01 s THR 622 Cb -0.36 -2.21 0.30 0.00 1.34 0.00 0.00 72.50 71.57 3i01 s THR 622 CO 0.43 -0.47 1.87 -0.65 -0.54 0.00 0.00 174.62 175.26 3i01 h PRO 623 N 2.45 0.00 0.00 3.99 0.11 -1.67 -0.13 132.00 136.76 3i01 h PRO 623 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3i01 h PRO 623 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i01 h PRO 623 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 3i01 n SER 624 N -2.53 0.64 0.00 -2.05 3.41 -1.26 -4.23 113.62 107.60 3i01 n SER 624 Ca -0.01 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 3i01 n SER 624 Cb 0.10 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 -0.43 0.69 3.10 5.00 0.00 -0.06 -5.06 105.19 108.44 3i01 n GLY 625 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.77 1.16 1.19 1.61 -1.94 -1.25 -4.91 119.30 114.39 3i01 s MET 626 Ca 0.00 -0.50 -0.16 0.00 -1.71 0.00 0.00 55.69 53.32 3i01 s MET 626 Cb 0.00 -1.11 0.28 0.00 2.01 0.00 0.00 34.83 36.01 3i01 s MET 626 CO 0.00 0.29 1.05 0.95 -0.01 0.00 0.00 175.02 177.30 3i01 s THR 627 N -0.29 1.73 0.17 2.05 -4.23 -1.26 -3.03 115.64 110.78 3i01 s THR 627 Ca 0.05 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.41 3i01 s THR 627 Cb -0.06 -2.30 0.07 0.00 1.34 0.00 0.00 72.50 71.55 3i01 s THR 627 CO -0.00 0.00 1.71 0.15 -0.54 0.00 0.00 174.62 175.94 3i01 h PHE 628 N -2.59 0.06 -0.55 3.99 3.57 -1.77 -0.95 116.94 118.69 3i01 h PHE 628 Ca -0.52 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 3i01 h PHE 628 Cb 1.33 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.08 3i01 h PHE 628 CO -1.08 -0.03 0.25 0.77 -2.23 0.00 0.00 178.31 175.98 3i01 h SER 629 N 0.16 0.74 -0.39 0.41 0.02 -1.92 0.13 113.55 112.70 3i01 h SER 629 Ca 0.20 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3i01 h SER 629 Cb 0.27 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3i01 h SER 629 CO -0.30 0.68 0.14 0.74 -1.14 0.00 0.00 176.83 176.95 3i01 h THR 630 N 0.75 1.20 -0.61 -2.27 2.02 -1.78 -1.42 112.91 110.79 3i01 h THR 630 Ca 0.19 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3i01 h THR 630 Cb 0.15 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3i01 h THR 630 CO -0.02 0.22 0.26 -0.07 0.37 0.00 0.00 175.52 176.28 3i01 h LEU 631 N 0.48 0.83 -0.98 2.58 4.07 -0.74 -2.41 115.31 119.14 3i01 h LEU 631 Ca 0.13 -0.16 0.13 0.00 0.08 0.00 0.00 57.88 58.05 3i01 h LEU 631 Cb 0.21 -0.22 -0.09 0.00 1.08 0.00 0.00 40.66 41.65 3i01 h LEU 631 CO -0.01 0.77 0.61 0.00 -1.08 0.00 0.00 178.44 178.73 3i01 h ALA 632 N 1.10 1.49 0.00 1.53 0.00 -0.57 -1.58 119.26 121.23 3i01 h ALA 632 Ca 0.21 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3i01 h ALA 632 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i01 h ALA 632 CO -0.02 0.18 -0.21 0.78 0.00 0.00 0.00 179.25 179.98 3i01 h GLY 633 N 0.94 0.00 1.58 0.00 0.00 -0.74 -2.24 103.07 102.62 3i01 h GLY 633 Ca 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.66 3i01 h GLY 633 CO -0.28 0.00 -1.02 1.98 0.00 0.00 0.00 176.54 177.22 3i01 h MET 634 N 0.00 0.00 0.00 4.80 -1.53 -1.21 -3.39 114.93 113.60 3i01 h MET 634 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3i01 h MET 634 Cb 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.47 3i01 h MET 634 CO 0.03 0.55 -1.53 0.44 0.14 0.00 0.00 176.91 176.53 3i01 n ILE 635 N -3.13 0.00 -2.39 1.77 -5.35 -0.81 -4.99 119.36 104.46 3i01 n ILE 635 Ca -0.04 -0.31 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 3i01 n ILE 635 Cb 0.85 0.29 0.07 0.00 -1.74 0.00 0.00 39.64 39.10 3i01 n ILE 635 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i01 n GLY 636 N 1.60 0.59 2.17 3.28 0.00 -0.88 -4.17 105.19 107.78 3i01 n GLY 636 Ca -0.02 -1.98 -0.03 0.00 0.00 0.00 0.00 46.02 44.00 3i01 n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i01 n GLY 637 N 0.85 0.59 2.07 -0.02 0.00 0.35 -4.27 105.19 104.76 3i01 n GLY 637 Ca 0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.30 0.51 3.84 -0.02 0.00 0.42 -4.48 105.19 103.17 3i01 n GLY 638 Ca -0.03 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 3i01 n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i01 s THR 639 N -2.01 5.11 0.05 2.61 -4.23 -1.26 -4.85 115.64 111.06 3i01 s THR 639 Ca 0.00 0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 60.93 3i01 s THR 639 Cb 0.00 -3.66 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 3i01 s THR 639 CO 0.00 0.58 1.14 -1.58 -0.54 0.00 0.00 174.62 174.21 3i01 s GLN 640 N -1.10 4.47 -0.47 3.99 0.74 -1.26 -4.64 119.66 121.39 3i01 s GLN 640 Ca 0.23 1.68 0.04 0.00 0.05 0.00 0.00 55.36 57.35 3i01 s GLN 640 Cb -0.16 -3.37 0.16 0.00 1.10 0.00 0.00 33.01 30.74 3i01 s GLN 640 CO 0.12 -0.18 0.35 0.95 -0.55 0.00 0.00 175.29 175.98 3i01 s THR 641 N 0.97 0.98 0.04 -0.34 -4.23 -1.26 -5.04 115.64 106.75 3i01 s THR 641 Ca 0.56 -2.90 -0.37 0.00 -1.18 0.00 0.00 61.69 57.80 3i01 s THR 641 Cb -0.27 -1.67 -0.17 0.00 1.34 0.00 0.00 72.50 71.73 3i01 s THR 641 CO 0.29 -1.13 1.39 -2.65 -0.54 0.00 0.00 174.62 171.98 3i01 n PRO 642 N 2.85 1.14 -0.03 3.99 -0.02 -1.26 -1.97 135.00 139.70 3i01 n PRO 642 Ca 0.24 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3i01 n PRO 642 Cb 0.43 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.71 0.43 3.43 -1.23 0.00 0.11 -4.99 105.19 105.66 3i01 n GLY 643 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.08 -0.99 -0.02 1.61 0.40 -0.83 -0.04 117.98 116.04 3i01 s PHE 644 Ca 0.00 1.83 -0.11 0.00 -0.60 0.00 0.00 56.93 58.06 3i01 s PHE 644 Cb 0.00 0.50 0.01 0.00 0.51 0.00 0.00 43.02 44.05 3i01 s PHE 644 CO 0.00 -0.54 0.22 1.41 0.70 0.00 0.00 175.22 177.02 3i01 s MET 645 N 2.49 0.54 0.00 0.44 1.75 -0.89 -4.56 119.30 119.06 3i01 s MET 645 Ca -0.05 -0.22 -0.14 0.00 -1.25 0.00 0.00 55.69 54.03 3i01 s MET 645 Cb -0.11 0.23 -0.06 0.00 2.84 0.00 0.00 34.83 37.74 3i01 s MET 645 CO -0.16 -0.13 0.39 0.20 -0.65 0.00 0.00 175.02 174.68 3i01 s GLY 646 N -1.17 2.45 0.04 2.11 0.00 -1.26 -1.82 107.32 107.67 3i01 s GLY 646 Ca -0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 44.72 44.23 3i01 s GLY 646 CO 0.03 0.10 0.25 -0.26 0.00 0.00 0.00 173.10 173.21 3i01 s ILE 647 N -1.10 0.09 0.42 0.90 -4.36 -0.94 -4.83 121.20 111.37 3i01 s ILE 647 Ca 0.24 -0.75 -0.22 0.00 -0.26 0.00 0.00 60.65 59.66 3i01 s ILE 647 Cb -0.16 -0.88 -0.10 0.00 1.25 0.00 0.00 42.46 42.57 3i01 s ILE 647 CO 0.13 -0.42 0.97 -0.83 0.24 0.00 0.00 174.94 175.04 3i01 s GLY 648 N -1.98 2.51 0.29 6.27 0.00 -1.09 -1.97 107.32 111.35 3i01 s GLY 648 Ca -0.06 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.15 3i01 s GLY 648 CO -0.03 0.81 1.87 3.21 0.00 0.00 0.00 173.10 178.96 3i01 h ARG 649 N 2.11 0.99 -0.72 2.90 3.08 -1.91 -2.56 114.38 118.27 3i01 h ARG 649 Ca -0.49 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.52 3i01 h ARG 649 Cb 1.19 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 3i01 h ARG 649 CO 0.61 0.66 0.48 1.15 -1.07 0.00 0.00 179.97 181.80 3i01 h THR 650 N 1.02 1.15 -0.08 2.04 2.02 -1.98 0.02 112.91 117.11 3i01 h THR 650 Ca 0.45 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.33 3i01 h THR 650 Cb 0.36 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3i01 h THR 650 CO -0.21 0.17 0.40 0.22 0.37 0.00 0.00 175.52 176.48 3i01 h TYR 651 N 0.94 0.00 0.00 3.16 3.20 -1.82 0.74 116.97 123.19 3i01 h TYR 651 Ca 0.28 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 3i01 h TYR 651 Cb -0.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3i01 h TYR 651 CO -0.00 0.00 -0.20 0.82 -1.64 0.00 0.00 178.16 177.14 3i01 h ILE 652 N 0.00 0.76 -0.46 1.81 2.04 -1.15 -2.94 117.51 117.57 3i01 h ILE 652 Ca 0.04 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3i01 h ILE 652 Cb 0.84 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3i01 h ILE 652 CO -0.00 0.20 0.00 1.33 0.00 0.00 0.00 178.15 179.68 3i01 n VAL 653 N -3.74 0.95 -2.73 1.67 0.24 0.25 -4.87 118.33 110.11 3i01 n VAL 653 Ca -0.02 -0.98 -0.36 0.00 -2.04 0.00 0.00 64.34 60.95 3i01 n VAL 653 Cb 0.31 0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 33.16 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 -1.01 7.14 0.43 -1.34 0.15 -1.11 -4.97 113.70 112.99 3i01 s SER 654 Ca 0.31 1.87 0.09 0.00 0.70 0.00 0.00 55.95 58.92 3i01 s SER 654 Cb 0.16 -2.58 0.94 0.00 -1.71 0.00 0.00 66.02 62.84 3i01 s SER 654 CO 0.22 -0.21 2.06 0.11 1.20 0.00 0.00 173.24 176.62 3i01 h LYS 655 N 2.83 0.44 0.00 5.44 1.57 -1.88 -1.86 116.57 123.10 3i01 h LYS 655 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3i01 h LYS 655 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3i01 h LYS 655 CO 0.64 0.29 0.00 1.63 -0.57 0.00 0.00 179.45 181.44 3i01 n LYS 656 N -4.48 0.91 -1.49 3.15 4.76 -1.26 -4.72 118.16 115.04 3i01 n LYS 656 Ca 0.03 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 55.01 3i01 n LYS 656 Cb 0.10 -1.46 -0.07 0.00 -1.84 0.00 0.00 35.03 31.76 3i01 n LYS 656 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i01 n PHE 657 N -0.96 1.46 -3.49 2.13 -0.00 -0.70 -2.05 117.46 113.84 3i01 n PHE 657 Ca 0.20 0.22 -0.15 0.00 -0.00 0.00 0.00 57.45 57.72 3i01 n PHE 657 Cb 0.09 -2.55 -0.02 0.00 -0.00 0.00 0.00 39.48 37.00 3i01 n PHE 657 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 3i01 n ILE 658 N 7.46 -0.66 0.23 -2.13 -5.35 -1.26 -3.76 119.36 113.89 3i01 n ILE 658 Ca 0.43 -0.22 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 3i01 n ILE 658 Cb 0.29 -0.60 0.55 0.00 -1.74 0.00 0.00 39.64 38.14 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 0.22 0.00 0.76 7.28 4.64 -1.19 -0.30 113.55 124.96 3i01 h SER 659 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3i01 h SER 659 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3i01 h SER 659 CO 0.26 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 3i01 n ALA 660 N -2.38 1.68 0.95 5.18 0.00 -0.54 -3.37 120.51 122.04 3i01 n ALA 660 Ca -0.02 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.60 3i01 n ALA 660 Cb 0.30 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 3i01 n ALA 660 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i01 n ASP 661 N -2.24 0.95 0.00 0.00 8.00 -0.18 -4.95 116.55 118.14 3i01 n ASP 661 Ca 0.02 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3i01 n ASP 661 Cb 0.24 1.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.34 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 1.47 0.48 7.00 0.44 0.00 -1.14 -4.94 105.19 108.50 3i01 n GLY 662 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.95 0.34 -0.02 0.00 -0.88 -3.47 105.19 102.11 3i01 n GLY 663 Ca 0.00 -0.61 0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 0.08 0.00 -0.61 3.07 -1.90 0.41 117.51 118.56 3i01 h ILE 664 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3i01 h ILE 664 Cb 0.00 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 37.36 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 1.65 1.00 0.00 0.16 0.00 -1.96 -2.24 119.26 117.87 3i01 h ALA 665 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i01 h ALA 665 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i01 h ALA 665 CO -0.00 0.00 -0.14 0.54 0.00 0.00 0.00 179.25 179.65 3i01 n ARG 666 N -2.85 0.16 -2.04 0.00 5.12 0.14 -3.56 116.66 113.63 3i01 n ARG 666 Ca -0.01 0.11 -0.41 0.00 -1.93 0.00 0.00 57.85 55.61 3i01 n ARG 666 Cb 0.17 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 3i01 n ARG 666 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i01 s ILE 667 N -3.07 3.48 -0.77 0.55 1.01 -0.84 -0.94 121.20 120.61 3i01 s ILE 667 Ca 0.11 0.43 0.23 0.00 0.00 0.00 0.00 60.65 61.42 3i01 s ILE 667 Cb 0.15 -3.79 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 3i01 s ILE 667 CO 0.60 -0.60 1.02 1.33 0.00 0.00 0.00 174.94 177.29 3i01 n VAL 668 N 7.32 0.07 -3.64 2.92 0.24 0.19 -4.77 118.33 120.67 3i01 n VAL 668 Ca 0.22 -0.14 -0.06 0.00 -2.04 0.00 0.00 64.34 62.32 3i01 n VAL 668 Cb 0.49 0.45 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 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 -3.12 -1.04 0.01 6.34 -0.00 -1.24 -1.15 118.94 118.74 3i01 s TRP 669 Ca 0.06 2.04 -0.05 0.00 -0.00 0.00 0.00 56.10 58.14 3i01 s TRP 669 Cb 0.15 0.62 -0.00 0.00 -0.00 0.00 0.00 33.47 34.24 3i01 s TRP 669 CO 0.81 -0.52 0.10 -1.64 -0.00 0.00 0.00 176.95 175.70 3i01 s MET 670 N 1.78 0.45 0.42 5.86 -1.94 -0.96 -0.24 119.30 124.66 3i01 s MET 670 Ca -0.09 -0.47 -0.24 0.00 -1.71 0.00 0.00 55.69 53.18 3i01 s MET 670 Cb -0.06 0.18 -0.08 0.00 2.01 0.00 0.00 34.83 36.88 3i01 s MET 670 CO -0.19 -0.10 1.10 -2.14 -0.01 0.00 0.00 175.02 173.68 3i01 s PRO 671 N -1.49 4.01 0.35 2.03 0.02 -1.25 -4.02 135.00 134.65 3i01 s PRO 671 Ca -0.14 1.64 0.13 0.00 0.02 0.00 0.00 61.00 62.64 3i01 s PRO 671 Cb -0.08 -2.51 0.96 0.00 0.02 0.00 0.00 34.50 32.89 3i01 s PRO 671 CO 0.01 -0.31 1.75 -0.22 -0.33 0.00 0.00 177.00 177.90 3i01 h LYS 672 N 2.35 0.51 0.00 5.54 3.64 -1.95 0.63 116.57 127.29 3i01 h LYS 672 Ca -0.49 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 3i01 h LYS 672 Cb 1.23 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3i01 h LYS 672 CO 0.62 0.34 -0.06 0.66 -2.27 0.00 0.00 179.45 178.74 3i01 h SER 673 N 0.53 0.00 0.23 4.20 4.64 -1.99 0.19 113.55 121.35 3i01 h SER 673 Ca 0.62 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.61 3i01 h SER 673 Cb 1.30 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.42 3i01 h SER 673 CO -0.40 0.06 -1.50 0.25 -0.87 0.00 0.00 176.83 174.37 3i01 h LEU 674 N 0.00 0.76 -0.29 5.97 6.46 -1.25 -1.34 115.31 125.62 3i01 h LEU 674 Ca -0.00 -0.93 0.06 0.00 -0.12 0.00 0.00 57.88 56.89 3i01 h LEU 674 Cb 0.13 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 39.75 3i01 h LEU 674 CO 0.01 1.71 -0.11 0.11 -0.62 0.00 0.00 178.44 179.54 3i01 h LYS 675 N 0.09 -0.05 -0.76 1.25 1.57 -1.09 0.22 116.57 117.80 3i01 h LYS 675 Ca -0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 3i01 h LYS 675 Cb 2.11 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.39 3i01 h LYS 675 CO 0.24 -0.03 0.31 -0.44 -0.57 0.00 0.00 179.45 178.95 3i01 h ASP 676 N -0.05 1.05 -0.45 0.86 3.32 -0.94 0.13 116.42 120.33 3i01 h ASP 676 Ca 0.15 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3i01 h ASP 676 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3i01 h ASP 676 CO -0.32 0.93 -0.02 0.15 -1.72 0.00 0.00 179.24 178.26 3i01 h PHE 677 N 1.10 0.95 0.00 4.55 3.57 -0.82 -3.14 116.94 123.14 3i01 h PHE 677 Ca 0.25 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3i01 h PHE 677 Cb 0.21 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3i01 h PHE 677 CO 0.02 0.87 -0.72 1.28 -2.23 0.00 0.00 178.31 177.53 3i01 n LEU 678 N -4.19 0.63 -0.27 0.59 4.77 0.73 -4.78 117.00 114.47 3i01 n LEU 678 Ca 0.02 -0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 3i01 n LEU 678 Cb 0.33 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3i01 n LEU 678 CO 0.43 0.11 0.63 -0.74 -1.33 0.00 0.00 177.39 176.48 3i01 h HIS 679 N 0.00 -0.90 0.82 -1.77 2.76 -0.71 0.46 115.15 115.81 3i01 h HIS 679 Ca 0.00 0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 3i01 h HIS 679 Cb 0.58 0.50 0.01 0.00 1.55 0.00 0.00 27.41 30.05 3i01 h HIS 679 CO 0.00 -0.38 -0.39 -0.44 -1.30 0.00 0.00 177.93 175.41 3i01 h ASP 680 N -0.09 -0.93 0.83 3.26 5.19 -1.86 -0.36 116.42 122.46 3i01 h ASP 680 Ca 0.29 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.69 3i01 h ASP 680 Cb 0.57 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 3i01 h ASP 680 CO -0.80 -0.61 -0.17 1.05 -3.12 0.00 0.00 179.24 175.59 3i01 h GLU 681 N -1.19 0.00 -0.18 3.56 9.09 -1.82 -2.11 114.58 121.93 3i01 h GLU 681 Ca -0.11 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.26 3i01 h GLU 681 Cb 0.85 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.95 3i01 h GLU 681 CO 0.18 0.17 -0.02 0.35 0.05 0.00 0.00 179.01 179.75 3i01 h PHE 682 N 0.00 0.36 -0.52 2.06 3.57 -0.48 -0.04 116.94 121.88 3i01 h PHE 682 Ca -0.00 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.46 3i01 h PHE 682 Cb 0.63 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3i01 h PHE 682 CO 0.00 0.56 0.29 0.28 -2.23 0.00 0.00 178.31 177.21 3i01 h VAL 683 N 0.06 1.01 -0.72 1.41 2.07 -0.97 -0.25 116.25 118.86 3i01 h VAL 683 Ca 0.05 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3i01 h VAL 683 Cb 0.43 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3i01 h VAL 683 CO 0.01 0.10 0.47 -0.09 0.02 0.00 0.00 177.57 178.09 3i01 h ARG 684 N 0.57 0.71 0.08 1.57 2.43 -1.20 -2.26 114.38 116.29 3i01 h ARG 684 Ca 0.22 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.09 3i01 h ARG 684 Cb 0.07 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3i01 h ARG 684 CO -0.12 0.47 -1.12 0.00 -1.51 0.00 0.00 179.97 177.69 3i01 h ARG 685 N 0.73 0.30 -0.74 0.20 2.47 -0.57 -2.81 114.38 113.97 3i01 h ARG 685 Ca 0.31 -0.43 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 3i01 h ARG 685 Cb 0.28 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 3i01 h ARG 685 CO -0.10 1.16 0.40 0.77 0.56 0.00 0.00 179.97 182.75 3i01 h SER 686 N 0.12 0.93 0.46 7.04 0.02 -0.58 -2.01 113.55 119.53 3i01 h SER 686 Ca -0.11 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3i01 h SER 686 Cb 1.81 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.11 3i01 h SER 686 CO 0.18 0.77 -0.22 0.58 -1.14 0.00 0.00 176.83 177.00 3i01 h VAL 687 N 1.02 0.55 -0.97 2.27 2.07 -1.49 0.67 116.25 120.37 3i01 h VAL 687 Ca 0.26 -0.10 0.32 0.00 0.82 0.00 0.00 66.70 68.00 3i01 h VAL 687 Cb 0.05 0.60 -0.17 0.00 -1.52 0.00 0.00 31.29 30.25 3i01 h VAL 687 CO -0.04 0.02 0.35 -0.33 0.02 0.00 0.00 177.57 177.59 3i01 h GLU 688 N -0.68 0.11 -0.01 1.57 5.08 -1.31 0.18 114.58 119.53 3i01 h GLU 688 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3i01 h GLU 688 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3i01 h GLU 688 CO 0.10 0.07 -0.03 0.39 -1.00 0.00 0.00 179.01 178.55 3i01 n GLU 689 N -5.27 1.46 -2.05 2.33 -0.58 -0.77 -4.90 120.64 110.85 3i01 n GLU 689 Ca 0.29 -0.77 -0.03 0.00 -0.42 0.00 0.00 57.16 56.24 3i01 n GLU 689 Cb 0.96 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 30.35 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 1.17 0.27 0.00 0.62 0.00 0.63 -4.94 105.19 102.95 3i01 n GLY 690 Ca 0.19 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.37 0.87 0.00 0.99 4.77 0.23 -5.00 117.00 118.48 3i01 n LEU 691 Ca -0.03 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3i01 n LEU 691 Cb 0.52 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3i01 n LEU 691 CO 0.04 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3i01 n GLY 692 N 1.47 -0.97 0.49 -0.72 0.00 -1.21 -4.14 105.19 100.10 3i01 n GLY 692 Ca 0.03 -1.25 0.37 0.00 0.00 0.00 0.00 46.02 45.17 3i01 n GLY 692 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i01 n GLU 693 N 0.60 -0.00 -0.06 1.61 4.71 -1.26 -1.30 120.64 124.93 3i01 n GLU 693 Ca 0.00 0.81 0.12 0.00 -0.01 0.00 0.00 57.16 58.08 3i01 n GLU 693 Cb 0.00 -1.82 0.26 0.00 -1.01 0.00 0.00 31.44 28.86 3i01 n GLU 693 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3i01 n ASP 694 N -3.54 2.62 -0.30 1.62 5.75 -1.26 -4.34 116.55 117.11 3i01 n ASP 694 Ca 0.32 -1.86 0.13 0.00 -0.01 0.00 0.00 54.79 53.37 3i01 n ASP 694 Cb 1.42 -0.08 0.29 0.00 -1.03 0.00 0.00 41.12 41.72 3i01 n ASP 694 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3i01 h PHE 695 N 3.81 0.52 -1.00 2.11 3.57 -1.35 0.16 116.94 124.75 3i01 h PHE 695 Ca 0.00 0.04 0.29 0.00 3.53 0.00 0.00 57.97 61.83 3i01 h PHE 695 Cb 0.82 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3i01 h PHE 695 CO 0.08 -0.11 0.75 0.97 -2.23 0.00 0.00 178.31 177.77 3i01 h ILE 696 N 0.32 0.44 0.00 1.41 2.10 -1.83 0.24 117.51 120.19 3i01 h ILE 696 Ca 0.55 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.49 3i01 h ILE 696 Cb 1.07 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 3i01 h ILE 696 CO -0.57 0.00 -0.56 0.47 -1.08 0.00 0.00 178.15 176.41 3i01 n ASP 697 N -4.13 0.67 0.04 2.19 8.00 0.56 -3.23 116.55 120.65 3i01 n ASP 697 Ca 0.21 0.13 0.13 0.00 0.71 0.00 0.00 54.79 55.97 3i01 n ASP 697 Cb 1.09 0.09 0.47 0.00 -0.02 0.00 0.00 41.12 42.76 3i01 n ASP 697 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i01 n LYS 698 N -2.05 0.10 -2.90 -1.24 5.02 0.84 -4.79 118.16 113.15 3i01 n LYS 698 Ca 0.04 0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 3i01 n LYS 698 Cb 0.43 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 3i01 n LYS 698 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i01 s ILE 699 N -3.04 4.92 0.96 -0.18 1.01 -1.16 -4.74 121.20 118.97 3i01 s ILE 699 Ca 0.12 1.67 -0.14 0.00 0.00 0.00 0.00 60.65 62.30 3i01 s ILE 699 Cb 0.16 -4.15 0.17 0.00 0.01 0.00 0.00 42.46 38.65 3i01 s ILE 699 CO 0.59 0.11 1.16 0.00 0.00 0.00 0.00 174.94 176.79 3i01 s ALA 700 N 1.58 1.68 0.08 9.38 0.00 -0.30 -4.86 121.76 129.33 3i01 s ALA 700 Ca 0.41 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 3i01 s ALA 700 Cb -0.18 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 19.98 3i01 s ALA 700 CO 0.17 -2.48 0.16 -0.40 0.00 0.00 0.00 175.76 173.21 3i01 n ASP 701 N -3.90 -0.46 0.29 0.00 5.68 -1.26 -2.27 116.55 114.63 3i01 n ASP 701 Ca 0.09 -1.35 0.16 0.00 -0.50 0.00 0.00 54.79 53.19 3i01 n ASP 701 Cb 0.59 0.78 0.86 0.00 -1.14 0.00 0.00 41.12 42.21 3i01 n ASP 701 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i01 h GLU 702 N 0.00 0.00 0.00 0.11 3.07 -1.76 -1.09 114.58 114.91 3i01 h GLU 702 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3i01 h GLU 702 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3i01 h GLU 702 CO 0.09 0.06 0.00 0.25 -1.40 0.00 0.00 179.01 178.01 3i01 n THR 703 N -3.40 0.40 -0.13 1.13 -2.24 -1.26 -3.67 114.28 105.12 3i01 n THR 703 Ca -0.02 0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.54 3i01 n THR 703 Cb 0.20 -0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 67.65 3i01 n THR 703 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3i01 n ILE 704 N -1.65 1.42 0.00 2.28 2.08 -0.47 -5.11 119.36 117.92 3i01 n ILE 704 Ca 0.06 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 63.02 3i01 n ILE 704 Cb 0.30 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 3i01 n ILE 704 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i01 n GLY 705 N 1.38 0.04 0.00 7.39 0.00 -0.87 -4.78 105.19 108.35 3i01 n GLY 705 Ca -0.50 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3i01 n GLY 705 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i01 n THR 706 N -0.16 0.14 -4.36 2.61 -2.24 -1.26 -4.11 114.28 104.89 3i01 n THR 706 Ca 0.00 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.18 3i01 n THR 706 Cb 0.00 1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.14 1.93 0.23 4.28 -4.23 -1.26 -1.80 115.64 114.65 3i01 s THR 707 Ca 0.00 -2.09 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 3i01 s THR 707 Cb 0.00 -1.99 0.21 0.00 1.34 0.00 0.00 72.50 72.06 3i01 s THR 707 CO 0.00 -0.40 1.88 0.58 -0.54 0.00 0.00 174.62 176.14 3i01 h VAL 708 N 2.90 1.15 0.00 2.29 2.07 -1.93 -2.06 116.25 120.67 3i01 h VAL 708 Ca -0.41 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3i01 h VAL 708 Cb 1.22 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3i01 h VAL 708 CO 0.55 0.20 -0.18 0.44 0.02 0.00 0.00 177.57 178.60 3i01 h ASP 709 N 1.09 0.00 1.27 0.57 3.32 -1.97 0.12 116.42 120.83 3i01 h ASP 709 Ca 0.34 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 3i01 h ASP 709 Cb -0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3i01 h ASP 709 CO -0.11 0.18 -0.76 -0.33 -1.72 0.00 0.00 179.24 176.50 3i01 h GLU 710 N 0.00 0.00 0.00 3.56 5.08 -1.85 -3.39 114.58 117.98 3i01 h GLU 710 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i01 h GLU 710 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3i01 h GLU 710 CO 0.02 0.37 -1.41 0.44 -1.00 0.00 0.00 179.01 177.43 3i01 n ILE 711 N -3.08 0.00 -0.05 3.13 -5.35 -0.81 -4.62 119.36 108.59 3i01 n ILE 711 Ca -0.01 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.09 3i01 n ILE 711 Cb 0.74 0.34 -0.05 0.00 -1.74 0.00 0.00 39.64 38.93 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 0.24 -1.17 7.28 5.85 -0.97 -1.79 115.31 124.74 3i01 h LEU 712 Ca 0.00 -0.16 0.18 0.00 0.84 0.00 0.00 57.88 58.74 3i01 h LEU 712 Cb 0.52 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 3i01 h LEU 712 CO 0.00 0.33 0.61 -0.65 -0.34 0.00 0.00 178.44 178.40 3i01 h PRO 713 N 0.12 0.67 -0.46 5.25 0.11 -1.82 0.11 132.00 135.98 3i01 h PRO 713 Ca 0.06 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 3i01 h PRO 713 Cb 0.17 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3i01 h PRO 713 CO -0.00 0.44 0.12 -0.92 -0.21 0.00 0.00 178.00 177.42 3i01 h TYR 714 N 0.69 0.77 -0.55 0.65 3.20 -1.76 0.11 116.97 120.08 3i01 h TYR 714 Ca 0.53 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 62.25 3i01 h TYR 714 Cb 0.93 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3i01 h TYR 714 CO -0.00 0.70 0.10 -0.07 -1.64 0.00 0.00 178.16 177.25 3i01 h LEU 715 N 0.62 0.87 0.48 2.82 3.38 -0.53 -0.01 115.31 122.94 3i01 h LEU 715 Ca 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3i01 h LEU 715 Cb 0.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i01 h LEU 715 CO 0.00 0.90 -0.24 -0.33 0.09 0.00 0.00 178.44 178.86 3i01 h GLU 716 N 0.80 -0.63 -0.65 1.13 5.08 -0.68 -1.58 114.58 118.04 3i01 h GLU 716 Ca 0.17 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.71 3i01 h GLU 716 Cb 0.39 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3i01 h GLU 716 CO 0.01 -0.42 0.44 1.49 -1.00 0.00 0.00 179.01 179.53 3i01 h GLU 717 N -0.66 0.30 -0.14 2.33 4.81 -0.73 -2.24 114.58 118.27 3i01 h GLU 717 Ca -0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3i01 h GLU 717 Cb 0.50 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3i01 h GLU 717 CO 0.11 0.20 0.00 1.63 -0.73 0.00 0.00 179.01 180.22 3i01 n LYS 718 N -4.45 1.67 -4.12 1.92 4.76 -0.02 -4.94 118.16 112.98 3i01 n LYS 718 Ca 0.12 -1.01 -0.31 0.00 -2.87 0.00 0.00 58.31 54.24 3i01 n LYS 718 Cb 0.50 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.26 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 1.11 -0.32 3.67 0.72 0.00 -0.84 -4.90 105.19 104.63 3i01 n GLY 719 Ca 0.16 0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.86 3i01 n GLY 719 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i01 n HIS 720 N -4.41 2.26 0.31 1.61 -0.00 -0.61 -4.89 115.22 109.48 3i01 n HIS 720 Ca -0.13 0.26 0.20 0.00 0.46 0.00 0.00 57.72 58.51 3i01 n HIS 720 Cb 0.60 -2.55 0.96 0.00 -0.12 0.00 0.00 29.99 28.88 3i01 n HIS 720 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3i01 h PRO 721 N 6.16 0.00 -0.36 1.57 0.13 -1.90 -3.07 132.00 134.52 3i01 h PRO 721 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 3i01 h PRO 721 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3i01 h PRO 721 CO 0.89 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.68 3i01 h ALA 722 N 2.00 1.37 0.00 -0.56 0.00 -1.89 -3.01 119.26 117.17 3i01 h ALA 722 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3i01 h ALA 722 Cb 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i01 h ALA 722 CO 0.00 0.44 -0.07 -0.07 0.00 0.00 0.00 179.25 179.55 3i01 h LEU 723 N 0.53 0.00 -2.22 0.00 3.38 -1.72 -2.52 115.31 112.77 3i01 h LEU 723 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i01 h LEU 723 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3i01 h LEU 723 CO 0.01 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.96 3i01 n THR 724 N -3.47 0.62 -0.66 0.22 -2.24 -1.24 -4.97 114.28 102.54 3i01 n THR 724 Ca -0.02 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 3i01 n THR 724 Cb 0.21 0.72 0.20 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.62 0.19 0.46 -0.78 -1.94 -0.95 -4.98 119.30 110.68 3i01 s MET 725 Ca 0.00 1.20 -0.25 0.00 -1.71 0.00 0.00 55.69 54.93 3i01 s MET 725 Cb 0.00 -1.66 -0.08 0.00 2.01 0.00 0.00 34.83 35.11 3i01 s MET 725 CO 0.00 -3.09 1.43 -0.51 -0.01 0.00 0.00 175.02 172.85 3i01 s ASP 726 N -2.65 5.77 -0.27 3.03 1.01 -1.26 -4.87 116.67 117.42 3i01 s ASP 726 Ca 0.67 2.93 -0.41 0.00 0.71 0.00 0.00 52.55 56.45 3i01 s ASP 726 Cb -0.23 -2.65 -0.19 0.00 1.01 0.00 0.00 42.92 40.85 3i01 s ASP 726 CO 0.61 -1.25 1.29 -2.65 0.21 0.00 0.00 175.17 173.37 3i01 n PRO 727 N -0.31 0.00 0.05 8.23 -0.02 -1.26 -4.82 135.00 136.87 3i01 n PRO 727 Ca 0.06 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.32 3i01 n PRO 727 Cb 0.42 -1.41 -0.15 0.00 -0.02 0.00 0.00 33.50 32.35 3i01 n PRO 727 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3i01 h ILE 728 N 3.88 0.88 0.00 4.25 2.10 -1.90 -3.53 117.51 123.20 3i01 h ILE 728 Ca -0.44 -2.51 0.00 0.00 1.08 0.00 0.00 64.86 62.99 3i01 h ILE 728 Cb 1.31 2.69 0.00 0.00 -1.09 0.00 0.00 36.82 39.73 3i01 h ILE 728 CO 0.79 0.85 0.00 0.23 -1.08 0.00 0.00 178.15 178.94