#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i01 h ASP 3 N 0.00 0.32 -0.69 3.42 3.58 -2.03 -2.55 116.42 118.47 3i01 h ASP 3 Ca 0.00 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3i01 h ASP 3 Cb 0.00 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 3i01 h ASP 3 CO 0.00 0.16 0.30 0.15 -2.88 0.00 0.00 179.24 176.97 3i01 h PHE 4 N 0.33 1.02 0.00 0.28 3.57 -2.03 -2.70 116.94 117.42 3i01 h PHE 4 Ca 0.37 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3i01 h PHE 4 Cb 0.97 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3i01 h PHE 4 CO -0.00 0.78 0.09 -0.25 -2.23 0.00 0.00 178.31 176.70 3i01 n ASP 5 N -4.41 0.34 0.25 0.41 10.43 -0.96 -2.35 116.55 120.25 3i01 n ASP 5 Ca 0.05 0.61 0.14 0.00 2.57 0.00 0.00 54.79 58.17 3i01 n ASP 5 Cb 0.15 -0.63 0.83 0.00 1.84 0.00 0.00 41.12 43.31 3i01 n ASP 5 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 3i01 h LYS 6 N 0.00 0.00 0.00 -1.24 3.64 -1.61 0.11 116.57 117.47 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 0.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3i01 h LYS 6 CO 0.00 0.00 -0.02 -0.84 -2.27 0.00 0.00 179.45 176.32 3i01 h ILE 7 N 0.00 0.09 0.00 2.00 3.07 -1.71 -2.79 117.51 118.16 3i01 h ILE 7 Ca 0.03 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.16 3i01 h ILE 7 Cb 0.17 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 3i01 h ILE 7 CO -0.00 0.02 -0.49 0.49 -1.05 0.00 0.00 178.15 177.12 3i01 n PHE 8 N -3.17 0.00 -2.09 0.16 3.01 0.37 -4.94 117.46 110.80 3i01 n PHE 8 Ca -0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 3i01 n PHE 8 Cb 0.19 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.38 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 -3.00 4.32 -0.68 -1.08 2.02 -1.06 -2.92 118.70 116.31 3i01 s GLU 9 Ca 0.11 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.32 3i01 s GLU 9 Cb 0.18 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.29 3i01 s GLU 9 CO 0.70 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.08 3i01 n GLY 10 N 1.80 0.76 0.12 -1.39 0.00 -1.26 -4.90 105.19 100.32 3i01 n GLY 10 Ca 0.04 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 0.21 -2.46 4.61 0.00 -1.85 -3.42 119.26 116.36 3i01 h ALA 11 Ca -0.13 -0.23 -0.62 0.00 0.00 0.00 0.00 54.91 53.93 3i01 h ALA 11 Cb 0.76 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 3i01 h ALA 11 CO 0.19 -0.04 0.13 0.42 0.00 0.00 0.00 179.25 179.95 3i01 s ILE 12 N -4.78 4.97 0.89 0.00 1.01 -1.26 -4.24 121.20 117.80 3i01 s ILE 12 Ca -0.14 0.95 -0.11 0.00 0.00 0.00 0.00 60.65 61.35 3i01 s ILE 12 Cb 0.06 -3.95 0.13 0.00 0.01 0.00 0.00 42.46 38.70 3i01 s ILE 12 CO 0.73 -0.05 1.10 -2.84 0.00 0.00 0.00 174.94 173.87 3i01 s PRO 13 N 2.53 1.26 0.08 2.79 0.02 -1.26 -4.91 135.00 135.50 3i01 s PRO 13 Ca 0.25 1.07 -0.34 0.00 0.02 0.00 0.00 61.00 62.00 3i01 s PRO 13 Cb -0.15 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.45 3i01 s PRO 13 CO 0.10 -2.31 1.69 0.39 -0.33 0.00 0.00 177.00 176.54 3i01 n GLU 14 N -3.97 2.21 -4.14 5.54 -0.58 -1.26 -1.89 120.64 116.55 3i01 n GLU 14 Ca 0.08 0.80 -0.44 0.00 -0.42 0.00 0.00 57.16 57.19 3i01 n GLU 14 Cb 0.54 -2.60 -0.01 0.00 -0.57 0.00 0.00 31.44 28.80 3i01 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i01 n GLY 15 N 3.79 -0.66 1.41 0.62 0.00 -1.26 -4.88 105.19 104.20 3i01 n GLY 15 Ca 0.19 0.29 0.04 0.00 0.00 0.00 0.00 46.02 46.54 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 -4.95 0.50 -1.67 1.61 4.76 -0.79 -5.08 118.16 112.53 3i01 n LYS 16 Ca -0.16 -2.40 -0.45 0.00 -2.87 0.00 0.00 58.31 52.43 3i01 n LYS 16 Cb 0.58 -0.47 -0.04 0.00 -1.84 0.00 0.00 35.03 33.26 3i01 n LYS 16 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3i01 n GLU 17 N 0.08 2.58 -1.48 1.97 4.07 -1.26 -4.78 120.64 121.82 3i01 n GLU 17 Ca 0.09 0.95 -0.40 0.00 -0.06 0.00 0.00 57.16 57.74 3i01 n GLU 17 Cb 1.03 -2.85 -0.02 0.00 -0.06 0.00 0.00 31.44 29.54 3i01 n GLU 17 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3i01 n PRO 18 N 6.99 3.39 -0.33 5.31 -0.04 -1.26 -4.77 135.00 144.28 3i01 n PRO 18 Ca 0.21 -2.37 0.13 0.00 -0.04 0.00 0.00 63.50 61.43 3i01 n PRO 18 Cb 0.36 -2.99 0.31 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.38 0.63 -0.48 0.52 2.07 -1.90 -0.99 116.25 119.48 3i01 h VAL 19 Ca 0.76 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.98 3i01 h VAL 19 Cb 0.42 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3i01 h VAL 19 CO 1.83 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 179.52 3i01 h ALA 20 N 1.66 1.08 -0.25 1.67 0.00 -1.86 0.15 119.26 121.71 3i01 h ALA 20 Ca 0.57 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3i01 h ALA 20 Cb 0.95 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3i01 h ALA 20 CO -0.43 0.58 -0.07 1.25 0.00 0.00 0.00 179.25 180.58 3i01 h LEU 21 N 0.75 0.50 -1.32 0.00 5.85 -1.12 -1.63 115.31 118.34 3i01 h LEU 21 Ca 0.14 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3i01 h LEU 21 Cb 0.47 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3i01 h LEU 21 CO 0.02 0.76 0.34 -0.26 -0.34 0.00 0.00 178.44 178.96 3i01 h PHE 22 N 0.23 0.78 -0.62 1.25 0.04 -0.93 -1.09 116.94 116.60 3i01 h PHE 22 Ca 0.06 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 3i01 h PHE 22 Cb 0.55 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3i01 h PHE 22 CO 0.05 0.53 0.07 -0.09 -0.60 0.00 0.00 178.31 178.28 3i01 h ARG 23 N 0.81 1.04 -0.30 1.51 2.43 -0.57 -1.47 114.38 117.84 3i01 h ARG 23 Ca 0.21 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3i01 h ARG 23 Cb -0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3i01 h ARG 23 CO -0.04 0.99 0.09 1.49 -1.51 0.00 0.00 179.97 180.99 3i01 h GLU 24 N 0.95 0.47 -0.27 0.20 4.81 -0.69 -1.54 114.58 118.51 3i01 h GLU 24 Ca 0.18 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3i01 h GLU 24 Cb 0.47 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 3i01 h GLU 24 CO 0.02 0.53 0.03 0.28 -0.73 0.00 0.00 179.01 179.13 3i01 h VAL 25 N 0.33 0.84 -0.30 0.32 2.07 -1.10 0.12 116.25 118.52 3i01 h VAL 25 Ca 0.10 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.65 3i01 h VAL 25 Cb 0.26 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3i01 h VAL 25 CO -0.00 0.02 -0.22 0.22 0.02 0.00 0.00 177.57 177.61 3i01 h TYR 26 N 0.12 -0.56 -0.59 1.57 -0.00 -1.09 -0.68 116.97 115.73 3i01 h TYR 26 Ca 0.13 0.04 -0.02 0.00 -0.00 0.00 0.00 58.73 58.88 3i01 h TYR 26 Cb 0.15 0.29 -0.03 0.00 -0.00 0.00 0.00 36.73 37.15 3i01 h TYR 26 CO -0.19 -0.29 0.29 0.45 -0.00 0.00 0.00 178.16 178.42 3i01 h HIS 27 N -0.19 0.85 -0.78 -3.82 3.86 -1.15 -1.07 115.15 112.84 3i01 h HIS 27 Ca 0.16 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3i01 h HIS 27 Cb 0.43 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 3i01 h HIS 27 CO -0.40 0.64 0.45 0.78 0.86 0.00 0.00 177.93 180.26 3i01 h GLY 28 N 0.81 1.14 0.99 2.45 0.00 -0.43 -2.02 103.07 106.01 3i01 h GLY 28 Ca 0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 3i01 h GLY 28 CO -0.03 0.48 -0.14 0.00 0.00 0.00 0.00 176.54 176.85 3i01 h ALA 29 N 1.24 0.55 -0.44 3.60 0.00 -1.03 -1.10 119.26 122.07 3i01 h ALA 29 Ca 0.28 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3i01 h ALA 29 Cb -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3i01 h ALA 29 CO -0.05 0.46 0.10 0.82 0.00 0.00 0.00 179.25 180.58 3i01 h ILE 30 N 0.60 0.78 -0.10 0.00 2.04 -1.16 0.56 117.51 120.23 3i01 h ILE 30 Ca 0.09 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3i01 h ILE 30 Cb 0.68 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3i01 h ILE 30 CO 0.05 0.04 0.05 0.74 0.00 0.00 0.00 178.15 179.04 3i01 h THR 31 N 0.24 1.08 0.01 -0.27 2.02 -1.19 0.18 112.91 114.98 3i01 h THR 31 Ca 0.22 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3i01 h THR 31 Cb 0.26 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3i01 h THR 31 CO -0.27 0.07 -0.01 0.00 0.37 0.00 0.00 175.52 175.68 3i01 h ALA 32 N 0.97 -0.01 -0.27 6.16 0.00 -1.20 -1.33 119.26 123.56 3i01 h ALA 32 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i01 h ALA 32 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i01 h ALA 32 CO -0.01 -0.50 0.10 1.79 0.00 0.00 0.00 179.25 180.64 3i01 h THR 33 N -0.04 1.18 -0.46 0.00 1.35 -0.79 -1.61 112.91 112.53 3i01 h THR 33 Ca -0.00 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 65.29 3i01 h THR 33 Cb 0.04 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.47 3i01 h THR 33 CO 0.00 0.19 0.22 0.28 -0.25 0.00 0.00 175.52 175.96 3i01 h SER 34 N 0.29 0.61 -0.89 5.36 0.02 -0.99 -1.11 113.55 116.83 3i01 h SER 34 Ca 0.09 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3i01 h SER 34 Cb 0.19 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 3i01 h SER 34 CO -0.01 0.56 0.58 0.22 -1.14 0.00 0.00 176.83 177.05 3i01 h TYR 35 N 0.61 1.10 -0.56 3.45 3.20 -1.23 -2.01 116.97 121.53 3i01 h TYR 35 Ca 0.16 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3i01 h TYR 35 Cb 0.12 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3i01 h TYR 35 CO -0.01 0.66 0.16 0.00 -1.64 0.00 0.00 178.16 177.34 3i01 h ALA 36 N 1.35 0.73 -0.51 1.82 0.00 -1.00 -1.80 119.26 119.85 3i01 h ALA 36 Ca 0.34 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3i01 h ALA 36 Cb -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3i01 h ALA 36 CO -0.09 0.40 0.26 1.49 0.00 0.00 0.00 179.25 181.31 3i01 h GLU 37 N 0.78 0.50 0.14 0.00 4.22 -0.82 0.11 114.58 119.50 3i01 h GLU 37 Ca 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.58 3i01 h GLU 37 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3i01 h GLU 37 CO -0.00 0.33 -0.07 0.82 -2.18 0.00 0.00 179.01 177.91 3i01 h ILE 38 N 0.51 0.89 -0.37 2.32 2.04 -1.18 0.12 117.51 121.84 3i01 h ILE 38 Ca 0.22 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 3i01 h ILE 38 Cb 0.12 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3i01 h ILE 38 CO -0.15 0.03 -0.10 -0.07 0.00 0.00 0.00 178.15 177.86 3i01 h LEU 39 N -0.25 0.61 0.29 1.44 3.38 -1.19 -1.94 115.31 117.66 3i01 h LEU 39 Ca -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3i01 h LEU 39 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3i01 h LEU 39 CO 0.03 0.75 -0.14 0.25 0.09 0.00 0.00 178.44 179.42 3i01 h LEU 40 N 0.58 -0.33 -1.12 1.67 5.85 -0.37 -1.09 115.31 120.50 3i01 h LEU 40 Ca 0.11 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 3i01 h LEU 40 Cb 0.51 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3i01 h LEU 40 CO 0.03 0.02 -0.38 0.78 -0.34 0.00 0.00 178.44 178.55 3i01 h ASN 41 N -0.72 0.11 -0.45 1.25 2.35 -0.77 -1.00 115.58 116.34 3i01 h ASN 41 Ca -0.04 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3i01 h ASN 41 Cb 0.49 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3i01 h ASN 41 CO 0.07 0.49 0.29 -0.61 -1.65 0.00 0.00 177.43 176.01 3i01 h GLN 42 N 0.10 0.60 -0.73 0.81 5.75 -1.39 -1.03 115.11 119.22 3i01 h GLN 42 Ca 0.01 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3i01 h GLN 42 Cb 0.72 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 3i01 h GLN 42 CO 0.05 0.42 0.38 0.00 -2.65 0.00 0.00 178.83 177.04 3i01 h ALA 43 N 1.15 0.93 -0.94 3.38 0.00 -0.65 -1.86 119.26 121.27 3i01 h ALA 43 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i01 h ALA 43 Cb -0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 3i01 h ALA 43 CO -0.03 0.46 0.56 0.82 0.00 0.00 0.00 179.25 181.06 3i01 h ILE 44 N 1.00 1.26 -0.41 0.00 2.04 -1.12 -0.76 117.51 119.52 3i01 h ILE 44 Ca 0.25 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3i01 h ILE 44 Cb 0.06 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 3i01 h ILE 44 CO -0.04 0.28 0.02 0.03 0.00 0.00 0.00 178.15 178.44 3i01 h ARG 45 N 1.31 0.65 -0.00 2.37 3.08 -0.84 0.18 114.38 121.12 3i01 h ARG 45 Ca 0.34 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 3i01 h ARG 45 Cb -0.04 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 29.92 3i01 h ARG 45 CO -0.06 0.65 -0.27 1.15 -1.07 0.00 0.00 179.97 180.37 3i01 h THR 46 N 0.62 1.54 0.00 2.04 2.02 -1.10 -3.39 112.91 114.63 3i01 h THR 46 Ca 0.13 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.37 3i01 h THR 46 Cb 0.36 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3i01 h THR 46 CO 0.01 0.53 -0.48 -1.22 0.37 0.00 0.00 175.52 174.74 3i01 n TYR 47 N -4.49 0.00 0.00 3.16 4.01 -0.31 -5.11 117.16 114.42 3i01 n TYR 47 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3i01 n TYR 47 Cb 0.51 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.24 -0.62 0.31 2.72 0.00 0.64 -4.30 105.19 105.17 3i01 n GLY 48 Ca 0.02 -1.52 0.18 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.92 -3.05 132.00 128.77 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 0.02 -0.17 -0.25 -0.23 0.00 0.00 178.00 177.36 3i01 n ASP 50 N -3.53 0.23 -4.74 1.44 8.00 -1.26 -0.08 116.55 116.61 3i01 n ASP 50 Ca -0.03 0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.14 3i01 n ASP 50 Cb 0.10 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3i01 n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i01 s HIS 51 N -2.90 3.16 0.77 1.24 2.46 -1.15 -4.78 115.29 114.09 3i01 s HIS 51 Ca 0.16 1.20 -0.13 0.00 0.47 0.00 0.00 55.06 56.75 3i01 s HIS 51 Cb 0.19 -3.67 0.06 0.00 -0.13 0.00 0.00 32.58 29.03 3i01 s HIS 51 CO 0.57 -2.09 1.17 -2.14 -2.47 0.00 0.00 174.74 169.79 3i01 s PRO 52 N -0.47 1.96 -0.03 2.88 0.02 -1.26 -0.89 135.00 137.22 3i01 s PRO 52 Ca 0.56 1.63 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 3i01 s PRO 52 Cb -0.38 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.32 3i01 s PRO 52 CO 0.42 -1.94 0.13 0.54 -0.33 0.00 0.00 177.00 175.82 3i01 s VAL 53 N -2.25 0.04 -4.61 3.83 0.11 -0.80 -4.59 120.40 112.15 3i01 s VAL 53 Ca 0.71 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 3i01 s VAL 53 Cb -0.26 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 3i01 s VAL 53 CO 0.49 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 3i01 n GLY 54 N 2.25 -1.36 3.59 6.54 0.00 -1.26 -4.40 105.19 110.56 3i01 n GLY 54 Ca -0.18 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.00 2.64 0.34 1.61 4.12 -1.26 -4.75 117.35 117.05 3i01 s TYR 55 Ca 0.00 -0.22 -0.22 0.00 0.02 0.00 0.00 57.07 56.65 3i01 s TYR 55 Cb 0.00 -1.26 -0.10 0.00 -1.52 0.00 0.00 41.96 39.08 3i01 s TYR 55 CO 0.00 0.55 0.89 -1.25 0.02 0.00 0.00 175.55 175.75 3i01 s PRO 56 N -3.04 4.35 -0.59 -1.71 0.04 -1.26 -4.47 135.00 128.31 3i01 s PRO 56 Ca 0.27 1.11 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 3i01 s PRO 56 Cb -0.08 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.90 3i01 s PRO 56 CO 0.16 0.18 0.51 -0.25 0.04 0.00 0.00 177.00 177.64 3i01 n ASP 57 N 0.07 -3.03 -3.83 6.66 8.00 -1.26 -4.74 116.55 118.41 3i01 n ASP 57 Ca 0.03 -0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.14 3i01 n ASP 57 Cb 0.52 -2.62 -0.11 0.00 -0.02 0.00 0.00 41.12 38.89 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 -3.16 0.04 -2.23 -3.53 -1.32 -1.26 -0.62 115.64 103.56 3i01 s THR 58 Ca 0.14 -0.31 0.25 0.00 -1.21 0.00 0.00 61.69 60.56 3i01 s THR 58 Cb -0.06 -0.35 0.22 0.00 -1.51 0.00 0.00 72.50 70.80 3i01 s THR 58 CO 0.34 -0.17 1.39 0.00 -2.21 0.00 0.00 174.62 173.97 3i01 n ALA 59 N 2.27 3.01 -1.39 11.08 0.00 -1.26 -4.60 120.51 129.63 3i01 n ALA 59 Ca -0.17 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 3i01 n ALA 59 Cb 0.57 -0.97 0.19 0.00 0.00 0.00 0.00 19.45 19.24 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 0.10 1.82 0.00 0.00 4.02 -1.26 -5.00 117.16 116.84 3i01 n TYR 60 Ca 0.13 -1.73 0.00 0.00 -0.01 0.00 0.00 57.90 56.29 3i01 n TYR 60 Cb 0.44 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 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 -1.13 0.00 -3.56 -0.72 4.02 -1.26 -2.17 117.16 112.34 3i01 n TYR 61 Ca 0.43 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.91 3i01 n TYR 61 Cb 1.25 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.48 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 5.50 0.44 7.72 1.43 -1.26 -4.41 118.68 128.10 3i01 s LEU 62 Ca 0.00 -1.74 0.17 0.00 -1.03 0.00 0.00 54.13 51.53 3i01 s LEU 62 Cb 0.00 -2.01 1.00 0.00 0.03 0.00 0.00 46.19 45.21 3i01 s LEU 62 CO 0.00 -0.64 1.95 -0.65 0.23 0.00 0.00 176.35 177.24 3i01 h PRO 63 N 8.46 0.00 -0.82 1.29 0.11 -1.78 -0.12 132.00 139.13 3i01 h PRO 63 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3i01 h PRO 63 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3i01 h PRO 63 CO 0.83 0.23 0.45 0.28 -0.21 0.00 0.00 178.00 179.59 3i01 h VAL 64 N 0.00 1.24 0.04 3.15 2.07 -1.87 0.13 116.25 121.01 3i01 h VAL 64 Ca -0.00 -0.58 -0.19 0.00 0.82 0.00 0.00 66.70 66.74 3i01 h VAL 64 Cb 0.44 0.12 0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3i01 h VAL 64 CO 0.03 0.27 -0.79 0.40 0.02 0.00 0.00 177.57 177.50 3i01 h ILE 65 N 1.14 1.41 -0.73 4.57 2.04 -1.83 -2.37 117.51 121.74 3i01 h ILE 65 Ca 0.29 -2.24 -0.01 0.00 1.00 0.00 0.00 64.86 63.90 3i01 h ILE 65 Cb 0.02 2.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.76 3i01 h ILE 65 CO -0.05 0.66 0.40 -0.09 0.00 0.00 0.00 178.15 179.07 3i01 h ARG 66 N -0.04 1.01 -0.01 2.37 9.65 -0.74 -0.97 114.38 125.64 3i01 h ARG 66 Ca -0.11 -0.11 -0.05 0.00 -1.10 0.00 0.00 59.98 58.61 3i01 h ARG 66 Cb 1.51 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 3i01 h ARG 66 CO 0.15 0.75 -0.17 0.00 2.80 0.00 0.00 179.97 183.49 3i01 n PHE 68 N -4.57 0.96 0.00 0.00 3.72 -0.89 0.00 117.46 116.68 3i01 n PHE 68 Ca -0.09 0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 3i01 n PHE 68 Cb 0.45 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 3i01 n PHE 68 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3i01 n SER 69 N -2.99 1.30 0.00 4.37 3.41 -0.62 -4.19 113.62 114.90 3i01 n SER 69 Ca -0.16 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 3i01 n SER 69 Cb 1.00 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 3i01 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i01 n GLY 70 N 1.13 0.34 3.73 5.00 0.00 -0.47 -4.57 105.19 110.34 3i01 n GLY 70 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.93 4.59 -1.15 1.61 8.01 -1.25 -4.83 118.70 124.75 3i01 s GLU 71 Ca 0.00 1.62 -0.14 0.00 0.01 0.00 0.00 54.97 56.46 3i01 s GLU 71 Cb 0.00 -3.34 0.18 0.00 -4.31 0.00 0.00 34.13 26.67 3i01 s GLU 71 CO 0.00 0.03 1.33 -1.21 0.01 0.00 0.00 175.26 175.43 3i01 s GLU 72 N 0.16 4.04 0.03 1.61 2.02 -1.26 -4.03 118.70 121.27 3i01 s GLU 72 Ca 0.51 -2.59 -0.30 0.00 0.02 0.00 0.00 54.97 52.61 3i01 s GLU 72 Cb -0.27 -4.95 -0.06 0.00 0.10 0.00 0.00 34.13 28.95 3i01 s GLU 72 CO 0.32 -1.67 1.37 0.08 0.02 0.00 0.00 175.26 175.38 3i01 s VAL 73 N 1.22 3.68 0.00 2.63 1.01 -1.26 -4.83 120.40 122.85 3i01 s VAL 73 Ca 0.39 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3i01 s VAL 73 Cb -0.04 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3i01 s VAL 73 CO -0.03 0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.39 3i01 n LYS 74 N 4.95 2.91 -4.07 2.72 5.02 -1.26 -4.37 118.16 124.06 3i01 n LYS 74 Ca 0.12 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 3i01 n LYS 74 Cb 0.44 -0.73 -0.10 0.00 -0.02 0.00 0.00 35.03 34.61 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 -1.05 0.56 0.28 1.97 -2.85 -1.26 -1.90 119.74 115.49 3i01 s LYS 75 Ca 0.00 -1.03 0.02 0.00 -1.00 0.00 0.00 55.97 53.97 3i01 s LYS 75 Cb 0.00 0.06 0.66 0.00 -2.06 0.00 0.00 37.83 36.49 3i01 s LYS 75 CO 0.00 -0.06 1.73 -0.07 0.10 0.00 0.00 175.35 177.05 3i01 h LEU 76 N 3.67 0.46 0.00 2.77 3.38 -0.90 -1.24 115.31 123.45 3i01 h LEU 76 Ca -0.34 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3i01 h LEU 76 Cb 1.17 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3i01 h LEU 76 CO 0.56 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.82 3i01 n GLY 77 N -1.33 -0.92 0.23 0.83 0.00 0.89 -1.90 105.19 102.99 3i01 n GLY 77 Ca 0.20 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.38 1.61 3.45 -1.47 -3.38 116.42 117.01 3i01 h ASP 78 Ca 0.00 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.15 3i01 h ASP 78 Cb 0.21 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.01 3i01 h ASP 78 CO 0.00 0.00 -1.35 -0.07 -1.57 0.00 0.00 179.24 176.25 3i01 h LEU 79 N 0.00 0.69 -0.77 1.55 3.38 -1.52 -3.39 115.31 115.25 3i01 h LEU 79 Ca 0.00 -0.72 0.16 0.00 0.09 0.00 0.00 57.88 57.41 3i01 h LEU 79 Cb 0.88 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 3i01 h LEU 79 CO 0.00 1.56 0.27 -0.65 0.09 0.00 0.00 178.44 179.70 3i01 h PRO 80 N 0.14 0.36 -0.30 1.13 0.11 -1.76 -0.19 132.00 131.49 3i01 h PRO 80 Ca -0.20 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.78 3i01 h PRO 80 Cb 2.05 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 33.07 3i01 h PRO 80 CO 0.24 0.24 -0.27 -1.35 -0.21 0.00 0.00 178.00 176.65 3i01 h PRO 81 N 0.37 0.60 -0.14 1.05 0.11 -1.87 -0.64 132.00 131.47 3i01 h PRO 81 Ca 0.44 -0.24 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3i01 h PRO 81 Cb 0.73 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3i01 h PRO 81 CO -0.47 0.81 0.05 0.82 -0.21 0.00 0.00 178.00 179.00 3i01 h ILE 82 N 0.52 1.18 -0.78 4.15 2.04 -1.58 -2.58 117.51 120.46 3i01 h ILE 82 Ca 0.07 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3i01 h ILE 82 Cb 0.73 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3i01 h ILE 82 CO 0.06 0.16 0.32 0.25 0.00 0.00 0.00 178.15 178.94 3i01 h LEU 83 N 0.05 1.05 -1.30 1.44 5.85 -0.88 -2.82 115.31 118.70 3i01 h LEU 83 Ca 0.05 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3i01 h LEU 83 Cb 0.22 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3i01 h LEU 83 CO -0.00 0.92 0.32 0.78 -0.34 0.00 0.00 178.44 180.12 3i01 h ASN 84 N 1.12 0.71 -0.26 1.25 2.35 -0.95 0.13 115.58 119.94 3i01 h ASN 84 Ca 0.26 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 3i01 h ASN 84 Cb 0.19 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3i01 h ASN 84 CO -0.02 0.58 -0.17 0.03 -1.65 0.00 0.00 177.43 176.19 3i01 h ARG 85 N 0.81 0.71 0.02 0.81 3.08 -1.21 -1.82 114.38 116.78 3i01 h ARG 85 Ca 0.21 -0.25 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 3i01 h ARG 85 Cb 0.02 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.04 3i01 h ARG 85 CO -0.03 0.83 -0.93 0.87 -1.07 0.00 0.00 179.97 179.63 3i01 h LYS 86 N 0.63 0.60 -0.56 0.04 1.79 -1.26 -2.71 116.57 115.11 3i01 h LYS 86 Ca 0.10 -0.67 0.11 0.00 -2.18 0.00 0.00 60.65 58.01 3i01 h LYS 86 Cb 0.64 0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.39 3i01 h LYS 86 CO 0.04 1.27 0.02 -0.09 -1.08 0.00 0.00 179.45 179.61 3i01 h ARG 87 N 0.22 0.13 0.00 3.15 2.43 -0.69 -2.01 114.38 117.61 3i01 h ARG 87 Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3i01 h ARG 87 Cb 1.61 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 3i01 h ARG 87 CO 0.18 0.09 0.00 0.00 -1.51 0.00 0.00 179.97 178.73 3i01 n ALA 88 N -2.71 2.03 1.29 2.80 0.00 -0.69 -2.73 120.51 120.49 3i01 n ALA 88 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3i01 n ALA 88 Cb 0.31 -1.42 0.47 0.00 0.00 0.00 0.00 19.45 18.81 3i01 n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i01 n GLN 89 N -2.09 0.73 -2.68 0.00 10.64 -0.77 -4.69 117.38 118.52 3i01 n GLN 89 Ca 0.04 -0.36 -0.42 0.00 -1.83 0.00 0.00 57.00 54.43 3i01 n GLN 89 Cb 0.33 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.18 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 -2.52 4.07 -0.11 -0.39 1.01 -1.11 -4.66 120.40 116.70 3i01 s VAL 90 Ca 0.25 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 3i01 s VAL 90 Cb 0.19 -4.73 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3i01 s VAL 90 CO 0.51 -1.45 0.11 -0.55 0.00 0.00 0.00 175.10 173.71 3i01 s SER 91 N 3.26 6.10 0.00 3.32 0.15 -1.26 -5.00 113.70 120.27 3i01 s SER 91 Ca 0.34 0.39 0.24 0.00 0.70 0.00 0.00 55.95 57.62 3i01 s SER 91 Cb -0.10 -1.92 1.22 0.00 -1.71 0.00 0.00 66.02 63.50 3i01 s SER 91 CO 0.19 0.40 1.80 -0.81 1.20 0.00 0.00 173.24 176.02 3i01 n PRO 92 N 2.02 0.34 -2.66 5.44 -0.04 -1.26 -4.66 135.00 134.18 3i01 n PRO 92 Ca -0.20 0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 3i01 n PRO 92 Cb 0.55 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 4.40 -0.30 0.52 1.01 -1.26 -4.97 120.40 117.23 3i01 s VAL 93 Ca 0.23 1.42 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 3i01 s VAL 93 Cb 0.16 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3i01 s VAL 93 CO 0.37 -0.70 0.51 -0.76 0.00 0.00 0.00 175.10 174.52 3i01 s LEU 94 N 3.93 4.15 0.11 3.92 1.43 -1.26 -4.84 118.68 126.13 3i01 s LEU 94 Ca 0.45 0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.59 3i01 s LEU 94 Cb -0.10 -2.63 0.07 0.00 0.03 0.00 0.00 46.19 43.57 3i01 s LEU 94 CO 0.22 -0.36 0.96 0.54 0.23 0.00 0.00 176.35 177.94 3i01 s ASN 95 N 1.64 -0.21 0.12 2.29 2.20 -1.26 -5.03 114.94 114.68 3i01 s ASN 95 Ca 0.20 -0.30 -0.20 0.00 -0.94 0.00 0.00 52.86 51.62 3i01 s ASN 95 Cb -0.15 0.45 -0.07 0.00 -2.00 0.00 0.00 41.25 39.47 3i01 s ASN 95 CO 0.11 -0.81 1.76 0.15 -2.94 0.00 0.00 177.10 175.37 3i01 h PHE 96 N 2.00 0.16 -0.11 1.54 -0.00 -1.99 0.18 116.94 118.72 3i01 h PHE 96 Ca -0.24 0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.72 3i01 h PHE 96 Cb 1.23 -0.05 -0.00 0.00 -0.00 0.00 0.00 35.95 37.13 3i01 h PHE 96 CO 0.35 0.09 0.01 1.49 -0.00 0.00 0.00 178.31 180.25 3i01 h GLU 97 N 0.18 0.19 -0.99 1.11 4.81 -1.98 -1.20 114.58 116.70 3i01 h GLU 97 Ca 0.07 -0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 3i01 h GLU 97 Cb 0.01 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.27 3i01 h GLU 97 CO -0.04 0.41 0.60 -0.91 -0.73 0.00 0.00 179.01 178.34 3i01 h ASN 98 N -0.06 0.79 -0.52 1.04 2.35 -1.86 0.23 115.58 117.55 3i01 h ASN 98 Ca 0.03 0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 3i01 h ASN 98 Cb 0.32 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3i01 h ASN 98 CO 0.00 0.32 0.05 0.00 -1.65 0.00 0.00 177.43 176.15 3i01 h ALA 99 N 1.62 0.70 -0.73 -0.83 0.00 0.23 -0.33 119.26 119.91 3i01 h ALA 99 Ca 0.55 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i01 h ALA 99 Cb 0.79 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3i01 h ALA 99 CO -0.36 0.46 0.44 0.00 0.00 0.00 0.00 179.25 179.80 3i01 h ARG 100 N 0.76 0.99 -0.46 0.00 3.08 -0.77 -1.36 114.38 116.62 3i01 h ARG 100 Ca 0.15 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.15 3i01 h ARG 100 Cb 0.45 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3i01 h ARG 100 CO 0.02 0.70 0.30 -0.07 -1.07 0.00 0.00 179.97 179.85 3i01 h LEU 101 N 1.00 0.40 -0.39 3.04 3.38 -0.67 -1.37 115.31 120.70 3i01 h LEU 101 Ca 0.26 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 3i01 h LEU 101 Cb -0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3i01 h LEU 101 CO -0.05 0.27 -0.75 0.00 0.09 0.00 0.00 178.44 178.00 3i01 h ALA 102 N 1.74 0.58 -0.40 1.53 0.00 -0.40 -1.91 119.26 120.41 3i01 h ALA 102 Ca 0.19 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3i01 h ALA 102 Cb 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i01 h ALA 102 CO -0.05 0.78 0.21 0.78 0.00 0.00 0.00 179.25 180.98 3i01 h GLY 103 N 1.34 0.60 0.88 0.00 0.00 -0.49 -1.85 103.07 103.54 3i01 h GLY 103 Ca -0.03 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.04 3i01 h GLY 103 CO 0.13 0.26 0.32 -2.09 0.00 0.00 0.00 176.54 175.16 3i01 h GLU 104 N 0.51 0.62 -0.52 4.80 4.81 -1.12 -0.61 114.58 123.06 3i01 h GLU 104 Ca 0.14 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3i01 h GLU 104 Cb 0.06 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3i01 h GLU 104 CO -0.02 0.41 0.35 0.00 -0.73 0.00 0.00 179.01 179.01 3i01 h ALA 105 N 1.23 1.73 -0.07 2.92 0.00 -1.07 -1.56 119.26 122.45 3i01 h ALA 105 Ca 0.21 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 3i01 h ALA 105 Cb 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3i01 h ALA 105 CO -0.09 0.21 -0.90 1.15 0.00 0.00 0.00 179.25 179.62 3i01 h THR 106 N 0.61 1.30 -0.21 0.00 2.02 -0.73 0.89 112.91 116.80 3i01 h THR 106 Ca 0.21 -2.16 -0.00 0.00 0.77 0.00 0.00 66.41 65.23 3i01 h THR 106 Cb 0.08 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3i01 h THR 106 CO -0.05 0.67 0.11 -0.50 0.37 0.00 0.00 175.52 176.12 3i01 h TRP 107 N 0.42 0.29 -0.40 3.16 4.06 -0.81 0.23 115.95 122.89 3i01 h TRP 107 Ca -0.08 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 60.91 3i01 h TRP 107 Cb 1.53 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 29.55 3i01 h TRP 107 CO 0.08 0.26 0.11 1.88 -3.56 0.00 0.00 178.44 177.22 3i01 h TYR 108 N 0.23 0.20 0.38 0.49 0.99 -1.23 -0.68 116.97 117.34 3i01 h TYR 108 Ca 0.07 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 3i01 h TYR 108 Cb 0.07 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.76 3i01 h TYR 108 CO -0.04 0.06 -0.28 0.00 -0.00 0.00 0.00 178.16 177.90 3i01 h ALA 109 N 1.28 -0.65 -0.87 3.88 0.00 -0.66 -1.86 119.26 120.38 3i01 h ALA 109 Ca 0.19 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 109 Cb 0.20 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3i01 h ALA 109 CO -0.22 -0.89 0.53 0.00 0.00 0.00 0.00 179.25 178.68 3i01 h ALA 110 N -0.11 1.21 -0.83 0.00 0.00 -0.44 -0.69 119.26 118.41 3i01 h ALA 110 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i01 h ALA 110 Cb 0.56 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3i01 h ALA 110 CO 0.01 0.24 0.51 1.49 0.00 0.00 0.00 179.25 181.50 3i01 h GLU 111 N 0.94 1.11 -0.24 0.00 4.57 -1.00 -0.61 114.58 119.35 3i01 h GLU 111 Ca 0.39 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.49 3i01 h GLU 111 Cb 0.24 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3i01 h GLU 111 CO -0.20 0.77 0.12 0.82 -1.18 0.00 0.00 179.01 179.34 3i01 h ILE 112 N 1.13 0.99 -0.77 2.32 2.04 -0.84 -0.79 117.51 121.59 3i01 h ILE 112 Ca 0.30 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 3i01 h ILE 112 Cb -0.07 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3i01 h ILE 112 CO -0.06 0.05 0.35 0.40 0.00 0.00 0.00 178.15 178.89 3i01 h ILE 113 N 0.26 1.24 -0.13 -0.67 2.04 -0.72 -1.34 117.51 118.18 3i01 h ILE 113 Ca 0.10 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 3i01 h ILE 113 Cb 0.03 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3i01 h ILE 113 CO -0.07 0.30 -0.10 -0.33 0.00 0.00 0.00 178.15 177.94 3i01 h GLU 114 N 1.09 0.31 -0.79 2.37 4.39 -1.01 -2.22 114.58 118.72 3i01 h GLU 114 Ca 0.26 -0.15 0.09 0.00 0.34 0.00 0.00 59.36 59.90 3i01 h GLU 114 Cb 0.13 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 3i01 h GLU 114 CO -0.03 0.68 0.52 0.00 -1.16 0.00 0.00 179.01 179.01 3i01 h ALA 115 N 0.62 1.72 -0.12 3.43 0.00 -0.64 -1.90 119.26 122.37 3i01 h ALA 115 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3i01 h ALA 115 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3i01 h ALA 115 CO 0.03 0.13 -0.58 -0.07 0.00 0.00 0.00 179.25 178.75 3i01 h LEU 116 N 0.76 0.43 -1.23 0.00 3.38 -1.18 -2.87 115.31 114.60 3i01 h LEU 116 Ca 0.36 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i01 h LEU 116 Cb 0.38 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3i01 h LEU 116 CO -0.13 0.92 0.48 -0.09 0.09 0.00 0.00 178.44 179.70 3i01 h ARG 117 N 0.29 0.99 0.00 1.13 2.43 -0.73 -2.06 114.38 116.44 3i01 h ARG 117 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3i01 h ARG 117 Cb 1.10 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3i01 h ARG 117 CO 0.10 0.67 0.00 0.66 -1.51 0.00 0.00 179.97 179.89 3i01 n TYR 118 N -4.41 0.00 0.18 2.20 4.01 -0.79 -1.79 117.16 116.57 3i01 n TYR 118 Ca 0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.94 3i01 n TYR 118 Cb 0.04 -0.43 0.67 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.14 7.72 3.38 -1.24 -0.36 115.31 124.67 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 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i01 h LEU 119 CO 0.00 0.00 -0.17 0.29 0.09 0.00 0.00 178.44 178.65 3i01 n LYS 120 N -4.46 0.40 -2.46 1.13 4.76 -0.74 -4.92 118.16 111.86 3i01 n LYS 120 Ca 0.01 -0.14 -0.38 0.00 -2.87 0.00 0.00 58.31 54.92 3i01 n LYS 120 Cb 0.24 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 3i01 n LYS 120 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3i01 s TYR 121 N -2.70 3.36 0.05 2.13 5.04 -0.15 -4.94 117.35 120.14 3i01 s TYR 121 Ca 0.22 1.65 0.02 0.00 -2.44 0.00 0.00 57.07 56.52 3i01 s TYR 121 Cb 0.19 -3.25 -0.03 0.00 0.35 0.00 0.00 41.96 39.23 3i01 s TYR 121 CO 0.54 -0.74 -0.08 0.15 -1.34 0.00 0.00 175.55 174.08 3i01 s LYS 122 N -2.00 0.56 0.22 4.97 1.02 -1.18 -5.04 119.74 118.28 3i01 s LYS 122 Ca 0.52 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.54 3i01 s LYS 122 Cb -0.28 -0.30 0.24 0.00 -0.52 0.00 0.00 37.83 36.97 3i01 s LYS 122 CO 0.36 0.05 1.59 -1.35 -0.92 0.00 0.00 175.35 175.07 3i01 h PRO 123 N 4.36 -0.06 0.00 -1.68 0.11 -2.02 -0.65 132.00 132.06 3i01 h PRO 123 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3i01 h PRO 123 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i01 h PRO 123 CO 0.43 -0.04 0.00 0.38 -0.21 0.00 0.00 178.00 178.56 3i01 h ASP 124 N -0.06 0.00 -2.15 -2.05 3.04 -2.02 -3.39 116.42 109.79 3i01 h ASP 124 Ca 0.31 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.62 3i01 h ASP 124 Cb 0.56 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 38.51 3i01 h ASP 124 CO -0.77 0.00 -0.82 -1.61 -2.04 0.00 0.00 179.24 174.00 3i01 s GLU 125 N -3.84 0.77 0.77 4.15 2.02 -0.25 -5.13 118.70 117.18 3i01 s GLU 125 Ca -0.02 -1.49 -0.14 0.00 0.02 0.00 0.00 54.97 53.34 3i01 s GLU 125 Cb 0.10 -1.05 0.06 0.00 0.10 0.00 0.00 34.13 33.34 3i01 s GLU 125 CO 0.41 -1.29 1.20 -1.25 0.02 0.00 0.00 175.26 174.35 3i01 s PRO 126 N 0.73 1.91 0.21 0.39 0.04 -1.24 -3.10 135.00 133.95 3i01 s PRO 126 Ca 0.25 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 3i01 s PRO 126 Cb -0.08 -1.81 0.23 0.00 0.04 0.00 0.00 34.50 32.88 3i01 s PRO 126 CO -0.09 -2.00 1.83 -0.07 0.04 0.00 0.00 177.00 176.71 3i01 h LEU 127 N -0.59 0.65 -8.80 -3.56 4.07 -1.92 -3.43 115.31 101.72 3i01 h LEU 127 Ca -0.47 0.02 -0.59 0.00 0.08 0.00 0.00 57.88 56.92 3i01 h LEU 127 Cb 1.29 -0.12 -0.21 0.00 1.08 0.00 0.00 40.66 42.71 3i01 h LEU 127 CO 0.48 0.43 -0.83 -0.76 -1.08 0.00 0.00 178.44 176.69 3i01 s LEU 128 N -10.22 2.35 0.75 1.67 1.43 -1.26 -5.15 118.68 108.25 3i01 s LEU 128 Ca -0.13 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.15 3i01 s LEU 128 Cb 0.16 -0.98 0.11 0.00 0.03 0.00 0.00 46.19 45.51 3i01 s LEU 128 CO 0.77 0.07 1.05 -2.16 0.23 0.00 0.00 176.35 176.31 3i01 s PRO 129 N -2.23 1.76 0.38 1.29 0.04 -1.26 -4.87 135.00 130.11 3i01 s PRO 129 Ca 0.12 -0.58 -0.25 0.00 0.04 0.00 0.00 61.00 60.33 3i01 s PRO 129 Cb -0.09 -2.18 -0.12 0.00 0.04 0.00 0.00 34.50 32.16 3i01 s PRO 129 CO 0.06 -1.49 0.99 -2.30 0.04 0.00 0.00 177.00 174.30 3i01 n PRO 130 N -3.02 1.33 0.00 0.56 -0.02 -1.26 -1.78 135.00 130.82 3i01 n PRO 130 Ca 0.11 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 3i01 n PRO 130 Cb 0.60 -1.96 0.65 0.00 -0.02 0.00 0.00 33.50 32.77 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 0.36 1.17 -1.69 0.52 -0.04 -1.26 -5.11 135.00 128.95 3i01 n PRO 131 Ca 0.09 -0.49 -0.37 0.00 -0.04 0.00 0.00 63.50 62.69 3i01 n PRO 131 Cb 0.37 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.40 3i01 n PRO 131 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3i01 n TRP 132 N -0.49 1.62 -0.07 0.54 8.01 -0.73 -4.43 117.44 121.89 3i01 n TRP 132 Ca 0.19 0.43 -0.09 0.00 -1.31 0.00 0.00 57.50 56.72 3i01 n TRP 132 Cb 0.27 -2.24 -0.08 0.00 -2.01 0.00 0.00 31.31 27.25 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 -1.73 0.88 -4.71 -0.99 -2.24 0.47 -4.78 114.28 101.18 3i01 n THR 133 Ca 0.14 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3i01 n THR 133 Cb 0.47 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 2.51 1.65 3.69 3.38 0.00 -1.15 -4.55 105.19 110.71 3i01 n GLY 134 Ca -0.25 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.72 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 8.44 2.47 -3.46 1.61 7.35 -1.26 -4.84 117.46 127.76 3i01 n PHE 135 Ca 0.00 0.09 -0.38 0.00 -0.76 0.00 0.00 57.45 56.40 3i01 n PHE 135 Cb 0.00 -2.63 -0.08 0.00 0.35 0.00 0.00 39.48 37.12 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 1.78 5.24 0.67 -2.13 1.01 -1.26 -5.03 121.20 121.47 3i01 s ILE 136 Ca 0.80 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 61.84 3i01 s ILE 136 Cb -0.60 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.21 3i01 s ILE 136 CO 0.38 0.27 1.26 -0.83 0.00 0.00 0.00 174.94 176.02 3i01 s GLY 137 N 1.11 2.68 0.33 6.18 0.00 -1.26 -4.86 107.32 111.50 3i01 s GLY 137 Ca 0.16 1.10 0.08 0.00 0.00 0.00 0.00 44.72 46.05 3i01 s GLY 137 CO 0.07 1.52 1.81 -0.55 0.00 0.00 0.00 173.10 175.95 3i01 h ASP 138 N 0.28 0.73 -0.36 1.64 3.45 -1.17 -1.82 116.42 119.18 3i01 h ASP 138 Ca -0.50 0.07 0.03 0.00 0.43 0.00 0.00 57.03 57.06 3i01 h ASP 138 Cb 1.32 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 40.01 3i01 h ASP 138 CO 0.52 0.30 0.24 -0.65 -1.57 0.00 0.00 179.24 178.08 3i01 h PRO 139 N 0.73 0.36 -0.18 3.56 0.11 -1.88 -1.39 132.00 133.31 3i01 h PRO 139 Ca 0.53 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.59 3i01 h PRO 139 Cb 0.87 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3i01 h PRO 139 CO -0.31 0.24 0.00 0.28 -0.21 0.00 0.00 178.00 178.00 3i01 h VAL 140 N 0.37 1.25 -0.54 3.15 2.07 -1.69 0.96 116.25 121.83 3i01 h VAL 140 Ca 0.15 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3i01 h VAL 140 Cb 0.12 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3i01 h VAL 140 CO -0.03 0.26 0.17 0.58 0.02 0.00 0.00 177.57 178.57 3i01 h VAL 141 N 0.08 0.77 -0.25 2.57 2.07 -1.27 -2.63 116.25 117.59 3i01 h VAL 141 Ca 0.05 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 3i01 h VAL 141 Cb 0.38 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3i01 h VAL 141 CO 0.01 0.06 -0.28 0.03 0.02 0.00 0.00 177.57 177.41 3i01 h ARG 142 N 0.33 0.63 -0.52 1.57 3.08 -1.24 -2.86 114.38 115.38 3i01 h ARG 142 Ca 0.27 -0.35 0.10 0.00 0.07 0.00 0.00 59.98 60.07 3i01 h ARG 142 Cb 0.33 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.29 3i01 h ARG 142 CO -0.30 0.95 -0.25 -0.09 -1.07 0.00 0.00 179.97 179.21 3i01 h ARG 143 N 0.35 -0.13 -0.00 0.04 2.43 -0.51 -1.41 114.38 115.16 3i01 h ARG 143 Ca 0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3i01 h ARG 143 Cb 0.85 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3i01 h ARG 143 CO 0.07 -0.08 -0.01 1.19 -1.51 0.00 0.00 179.97 179.62 3i01 n PHE 144 N -5.42 0.00 -0.28 2.20 3.72 -1.02 -4.22 117.46 112.44 3i01 n PHE 144 Ca 0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.39 3i01 n PHE 144 Cb 0.33 -0.03 0.06 0.00 -0.94 0.00 0.00 39.48 38.90 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 4.96 1.11 1.63 1.37 0.00 -1.02 -0.20 103.07 110.92 3i01 h GLY 145 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 46.91 3i01 h GLY 145 CO 0.00 0.44 0.16 1.19 0.00 0.00 0.00 176.54 178.34 3i01 h ILE 146 N 1.05 0.96 0.00 2.60 6.09 -1.73 -0.94 117.51 125.53 3i01 h ILE 146 Ca 0.27 -0.05 -0.05 0.00 -1.37 0.00 0.00 64.86 63.67 3i01 h ILE 146 Cb -0.04 0.80 -0.01 0.00 0.47 0.00 0.00 36.82 38.04 3i01 h ILE 146 CO -0.05 0.03 -0.22 0.11 -3.07 0.00 0.00 178.15 174.95 3i01 h LYS 147 N 0.15 0.00 -0.02 2.19 1.57 -1.31 -3.26 116.57 115.88 3i01 h LYS 147 Ca 0.10 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 3i01 h LYS 147 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.55 3i01 h LYS 147 CO -0.02 0.22 -0.95 0.52 -0.57 0.00 0.00 179.45 178.66 3i01 h MET 148 N 0.00 0.54 -0.15 3.15 2.86 -0.88 -1.22 114.93 119.24 3i01 h MET 148 Ca -0.00 -0.56 -0.03 0.00 -2.06 0.00 0.00 59.70 57.05 3i01 h MET 148 Cb 1.01 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 3i01 h MET 148 CO 0.03 1.19 -0.03 -0.39 1.06 0.00 0.00 176.91 178.76 3i01 h VAL 149 N 0.32 1.12 -0.33 -2.22 -1.51 -1.48 -2.15 116.25 110.00 3i01 h VAL 149 Ca -0.09 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3i01 h VAL 149 Cb 1.58 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 3i01 h VAL 149 CO 0.17 0.15 0.00 -0.90 -1.23 0.00 0.00 177.57 175.77 3i01 n ASP 150 N -4.38 3.17 -2.38 4.19 3.85 -1.26 -4.74 116.55 115.01 3i01 n ASP 150 Ca -0.01 -1.92 -0.21 0.00 -0.71 0.00 0.00 54.79 51.95 3i01 n ASP 150 Cb 0.18 -0.21 -0.01 0.00 -1.35 0.00 0.00 41.12 39.73 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 1.23 -0.99 -0.18 2.11 7.02 -0.81 -4.90 117.44 120.92 3i01 n TRP 151 Ca 0.16 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.69 3i01 n TRP 151 Cb 0.53 -3.95 0.33 0.00 -2.42 0.00 0.00 31.31 25.81 3i01 n TRP 151 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3i01 h THR 152 N 0.00 1.07 -3.24 -0.99 2.02 -1.51 -3.13 112.91 107.13 3i01 h THR 152 Ca -0.49 -0.28 -0.70 0.00 0.77 0.00 0.00 66.41 65.71 3i01 h THR 152 Cb 1.36 0.19 -0.19 0.00 -1.74 0.00 0.00 68.15 67.77 3i01 h THR 152 CO 0.58 0.15 -0.05 -0.63 0.37 0.00 0.00 175.52 175.94 3i01 s ILE 153 N -5.71 4.97 -0.56 3.11 1.01 -0.69 -4.52 121.20 118.81 3i01 s ILE 153 Ca -0.10 -0.70 0.25 0.00 0.00 0.00 0.00 60.65 60.10 3i01 s ILE 153 Cb 0.19 -4.27 0.31 0.00 0.01 0.00 0.00 42.46 38.70 3i01 s ILE 153 CO 0.77 -0.77 1.72 1.55 0.00 0.00 0.00 174.94 178.21 3i01 h PRO 154 N 8.94 0.00 0.00 2.79 0.13 -1.70 -3.43 132.00 138.73 3i01 h PRO 154 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i01 h PRO 154 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i01 h PRO 154 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 3i01 n GLY 155 N 1.08 -1.07 2.98 1.56 0.00 -1.26 -4.74 105.19 103.74 3i01 n GLY 155 Ca 0.04 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 3i01 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i01 s GLU 156 N -0.20 0.68 -0.24 1.61 8.01 0.90 -2.29 118.70 127.17 3i01 s GLU 156 Ca 0.00 -0.25 -0.05 0.00 0.01 0.00 0.00 54.97 54.69 3i01 s GLU 156 Cb 0.00 -0.66 -0.00 0.00 -4.31 0.00 0.00 34.13 29.16 3i01 s GLU 156 CO 0.00 0.12 -0.01 0.00 0.01 0.00 0.00 175.26 175.38 3i01 s ALA 157 N 0.03 2.89 -0.45 5.21 0.00 0.17 -2.00 121.76 127.61 3i01 s ALA 157 Ca -0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 3i01 s ALA 157 Cb -0.05 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.28 3i01 s ALA 157 CO -0.00 -0.56 0.47 0.42 0.00 0.00 0.00 175.76 176.10 3i01 s ILE 158 N 1.49 5.07 -0.37 0.00 1.01 0.13 -1.39 121.20 127.13 3i01 s ILE 158 Ca 0.05 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 3i01 s ILE 158 Cb -0.15 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.21 3i01 s ILE 158 CO -0.02 -0.55 0.22 -0.63 0.00 0.00 0.00 174.94 173.96 3i01 s ILE 159 N 2.15 4.82 -0.22 2.92 1.01 0.22 0.26 121.20 132.37 3i01 s ILE 159 Ca 0.11 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.12 3i01 s ILE 159 Cb -0.19 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.70 3i01 s ILE 159 CO 0.12 -0.17 -0.11 -0.22 0.00 0.00 0.00 174.94 174.55 3i01 s LEU 160 N 1.61 2.66 0.00 2.97 2.96 -0.51 -0.38 118.68 127.99 3i01 s LEU 160 Ca 0.04 -1.06 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 3i01 s LEU 160 Cb -0.19 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.15 3i01 s LEU 160 CO 0.08 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 3i01 n GLY 161 N 4.60 0.16 2.79 7.98 0.00 0.03 -0.34 105.19 120.40 3i01 n GLY 161 Ca -0.15 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.03 0.17 0.58 1.61 3.52 -0.15 -0.26 118.95 124.39 3i01 s ARG 162 Ca 0.00 0.14 -0.15 0.00 -0.13 0.00 0.00 55.73 55.58 3i01 s ARG 162 Cb 0.00 -0.43 -0.04 0.00 -1.56 0.00 0.00 34.95 32.92 3i01 s ARG 162 CO 0.00 -0.17 1.04 0.00 -0.81 0.00 0.00 175.30 175.36 3i01 s ALA 163 N 1.15 2.85 0.44 6.12 0.00 -1.26 -2.06 121.76 129.00 3i01 s ALA 163 Ca -0.08 0.27 0.23 0.00 0.00 0.00 0.00 51.96 52.39 3i01 s ALA 163 Cb -0.13 -3.19 1.22 0.00 0.00 0.00 0.00 23.12 21.03 3i01 s ALA 163 CO -0.02 -0.68 1.78 1.57 0.00 0.00 0.00 175.76 178.41 3i01 h LYS 164 N 0.41 0.27 -3.00 0.00 2.10 -1.98 -3.42 116.57 110.95 3i01 h LYS 164 Ca -0.46 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.15 3i01 h LYS 164 Cb 1.21 -0.06 -0.12 0.00 -0.90 0.00 0.00 32.23 32.36 3i01 h LYS 164 CO 0.59 0.18 0.21 0.16 -2.00 0.00 0.00 179.45 178.59 3i01 s ASP 165 N -5.26 -0.56 0.18 7.07 1.47 -1.26 -5.06 116.67 113.25 3i01 s ASP 165 Ca -0.08 -0.02 -0.13 0.00 1.18 0.00 0.00 52.55 53.51 3i01 s ASP 165 Cb 0.25 0.60 0.10 0.00 -0.34 0.00 0.00 42.92 43.52 3i01 s ASP 165 CO 0.80 -0.98 1.85 0.28 0.68 0.00 0.00 175.17 177.79 3i01 h SER 166 N 2.00 0.66 -0.07 2.11 0.02 -1.90 -2.51 113.55 113.86 3i01 h SER 166 Ca -0.34 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3i01 h SER 166 Cb 1.31 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 3i01 h SER 166 CO 0.38 0.47 0.04 0.11 -1.14 0.00 0.00 176.83 176.69 3i01 h LYS 167 N 0.78 0.09 -0.64 3.45 1.79 -1.97 -1.13 116.57 118.93 3i01 h LYS 167 Ca 0.22 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.76 3i01 h LYS 167 Cb -0.07 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 3i01 h LYS 167 CO -0.06 0.11 0.43 0.00 -1.08 0.00 0.00 179.45 178.85 3i01 h ALA 168 N 0.97 1.86 -0.11 3.86 0.00 -1.94 -2.17 119.26 121.73 3i01 h ALA 168 Ca 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 168 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i01 h ALA 168 CO -0.00 0.02 -0.34 1.25 0.00 0.00 0.00 179.25 180.17 3i01 h LEU 169 N 0.56 0.49 -1.60 0.00 6.46 -1.13 -3.05 115.31 117.04 3i01 h LEU 169 Ca 0.29 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 3i01 h LEU 169 Cb 0.39 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3i01 h LEU 169 CO -0.09 1.01 0.25 0.00 -0.62 0.00 0.00 178.44 178.99 3i01 h ALA 170 N 0.49 1.71 -0.09 1.25 0.00 -0.82 0.12 119.26 121.92 3i01 h ALA 170 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i01 h ALA 170 Cb 0.96 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3i01 h ALA 170 CO 0.07 0.27 -0.03 -0.22 0.00 0.00 0.00 179.25 179.34 3i01 h LYS 171 N 0.53 0.18 -0.28 0.00 3.64 -1.47 0.71 116.57 119.88 3i01 h LYS 171 Ca 0.14 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3i01 h LYS 171 Cb -0.05 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 3i01 h LYS 171 CO -0.03 0.52 -0.19 0.82 -2.27 0.00 0.00 179.45 178.30 3i01 h ILE 172 N -0.17 0.48 -0.11 2.00 2.04 -1.37 -2.30 117.51 118.08 3i01 h ILE 172 Ca 0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3i01 h ILE 172 Cb 0.46 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3i01 h ILE 172 CO 0.01 0.00 -0.03 0.58 0.00 0.00 0.00 178.15 178.72 3i01 h VAL 173 N -0.16 1.09 -0.14 1.67 2.07 -0.65 0.65 116.25 120.78 3i01 h VAL 173 Ca 0.15 -0.37 -0.22 0.00 0.82 0.00 0.00 66.70 67.08 3i01 h VAL 173 Cb 0.39 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3i01 h VAL 173 CO -0.38 0.12 -0.78 0.50 0.02 0.00 0.00 177.57 177.06 3i01 h LYS 174 N 0.16 0.74 0.73 1.57 3.64 -0.67 0.31 116.57 123.05 3i01 h LYS 174 Ca 0.04 -0.61 -0.04 0.00 -1.27 0.00 0.00 60.65 58.77 3i01 h LYS 174 Cb 0.16 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3i01 h LYS 174 CO 0.01 1.22 -0.35 1.49 -2.27 0.00 0.00 179.45 179.54 3i01 h GLU 175 N 0.50 -0.95 -0.70 1.90 4.81 -0.83 -1.37 114.58 117.94 3i01 h GLU 175 Ca -0.05 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 3i01 h GLU 175 Cb 1.40 0.22 -0.09 0.00 0.63 0.00 0.00 28.75 30.90 3i01 h GLU 175 CO 0.16 -0.63 0.23 -0.07 -0.73 0.00 0.00 179.01 177.96 3i01 h LEU 176 N -1.00 0.16 -0.84 1.64 3.38 -0.84 -1.20 115.31 116.61 3i01 h LEU 176 Ca -0.10 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3i01 h LEU 176 Cb 0.76 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3i01 h LEU 176 CO 0.17 0.06 0.40 0.24 0.09 0.00 0.00 178.44 179.39 3i01 h MET 177 N 0.36 1.21 -0.72 1.13 2.86 -0.89 -2.00 114.93 116.89 3i01 h MET 177 Ca 0.38 -0.18 0.16 0.00 -2.06 0.00 0.00 59.70 58.00 3i01 h MET 177 Cb 0.58 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3i01 h MET 177 CO -0.41 0.93 0.49 0.78 1.06 0.00 0.00 176.91 179.76 3i01 h GLY 178 N 1.20 0.49 -2.29 8.32 0.00 -0.05 -1.27 103.07 109.47 3i01 h GLY 178 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3i01 h GLY 178 CO -0.04 0.03 0.00 1.03 0.00 0.00 0.00 176.54 177.57 3i01 n MET 179 N -4.44 2.50 -0.96 4.80 2.00 -0.79 -4.65 117.12 115.58 3i01 n MET 179 Ca 0.14 -2.27 0.00 0.00 0.00 0.00 0.00 57.70 55.57 3i01 n MET 179 Cb 0.60 -1.52 0.00 0.00 0.00 0.00 0.00 33.22 32.30 3i01 n MET 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i01 n GLY 180 N 1.51 0.51 3.72 3.03 0.00 -0.48 -4.44 105.19 109.05 3i01 n GLY 180 Ca 0.20 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.00 0.19 1.61 0.40 -1.00 -4.12 117.98 116.07 3i01 s PHE 181 Ca 0.00 0.62 -0.30 0.00 -0.60 0.00 0.00 56.93 56.66 3i01 s PHE 181 Cb 0.00 -3.97 -0.08 0.00 0.51 0.00 0.00 43.02 39.48 3i01 s PHE 181 CO 0.00 -3.54 1.14 1.41 0.70 0.00 0.00 175.22 174.93 3i01 s MET 182 N 0.84 4.56 -0.05 0.44 -2.45 -0.97 -4.74 119.30 116.93 3i01 s MET 182 Ca 0.69 1.79 0.05 0.00 -1.25 0.00 0.00 55.69 56.98 3i01 s MET 182 Cb -0.45 -3.25 -0.02 0.00 1.25 0.00 0.00 34.83 32.36 3i01 s MET 182 CO 0.34 0.03 -0.22 -0.51 1.05 0.00 0.00 175.02 175.71 3i01 s LEU 183 N -0.46 2.29 -0.18 4.11 1.43 -0.63 -0.65 118.68 124.58 3i01 s LEU 183 Ca 0.50 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3i01 s LEU 183 Cb -0.31 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3i01 s LEU 183 CO 0.36 0.28 -0.18 -0.36 0.23 0.00 0.00 176.35 176.68 3i01 s PHE 184 N -0.35 2.78 -0.03 0.29 0.40 -0.49 -0.35 117.98 120.23 3i01 s PHE 184 Ca 0.02 -1.48 0.07 0.00 -0.60 0.00 0.00 56.93 54.94 3i01 s PHE 184 Cb -0.12 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 3i01 s PHE 184 CO 0.02 -0.73 -0.24 0.42 0.70 0.00 0.00 175.22 175.39 3i01 s ILE 185 N 1.21 2.23 -0.12 0.64 1.09 0.41 0.69 121.20 127.36 3i01 s ILE 185 Ca 0.03 -1.03 -0.08 0.00 -1.10 0.00 0.00 60.65 58.46 3i01 s ILE 185 Cb -0.14 -1.80 0.04 0.00 -1.06 0.00 0.00 42.46 39.50 3i01 s ILE 185 CO -0.09 0.58 0.29 0.00 -0.10 0.00 0.00 174.94 175.62 3i01 n ASP 187 N 3.60 0.00 0.29 0.00 8.00 -0.39 -0.79 116.55 127.25 3i01 n ASP 187 Ca -0.19 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.49 3i01 n ASP 187 Cb 0.56 0.00 0.78 0.00 -0.02 0.00 0.00 41.12 42.43 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 -1.22 -1.24 3.07 -1.68 -0.87 114.58 112.65 3i01 h GLU 188 Ca 0.00 0.00 0.35 0.00 -0.50 0.00 0.00 59.36 59.21 3i01 h GLU 188 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 3i01 h GLU 188 CO 0.00 0.00 0.86 0.00 -1.40 0.00 0.00 179.01 178.47 3i01 h ALA 189 N 2.00 2.99 -0.13 3.43 0.00 -0.82 -0.59 119.26 126.13 3i01 h ALA 189 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i01 h ALA 189 Cb 0.42 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i01 h ALA 189 CO 0.00 -1.37 0.03 0.28 0.00 0.00 0.00 179.25 178.20 3i01 h VAL 190 N 0.08 1.20 0.00 0.00 2.07 -1.42 -2.18 116.25 115.99 3i01 h VAL 190 Ca 0.61 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 3i01 h VAL 190 Cb 2.24 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 3i01 h VAL 190 CO -0.08 0.18 -0.83 -0.33 0.02 0.00 0.00 177.57 176.53 3i01 h GLU 191 N 0.02 0.00 0.19 1.57 3.07 -1.38 -1.86 114.58 116.19 3i01 h GLU 191 Ca 0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3i01 h GLU 191 Cb 0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3i01 h GLU 191 CO 0.00 0.83 -0.12 1.96 -1.40 0.00 0.00 179.01 180.28 3i01 h GLN 192 N 0.00 -0.29 -0.86 2.33 4.20 -1.14 -0.17 115.11 119.17 3i01 h GLN 192 Ca -0.01 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3i01 h GLN 192 Cb 1.50 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.31 3i01 h GLN 192 CO 0.11 -0.19 0.49 -0.07 -0.67 0.00 0.00 178.83 178.49 3i01 h LEU 193 N -0.30 1.07 -0.74 1.46 3.38 -1.35 -2.81 115.31 116.01 3i01 h LEU 193 Ca -0.02 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3i01 h LEU 193 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3i01 h LEU 193 CO 0.01 0.85 -0.40 -0.07 0.09 0.00 0.00 178.44 178.92 3i01 h LEU 194 N 1.20 0.51 -0.92 1.67 3.38 -1.22 -0.61 115.31 119.32 3i01 h LEU 194 Ca 0.31 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3i01 h LEU 194 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3i01 h LEU 194 CO -0.05 0.86 -0.50 1.05 0.09 0.00 0.00 178.44 179.89 3i01 h GLU 195 N 0.40 0.00 -0.01 1.13 4.11 -0.91 -2.84 114.58 116.46 3i01 h GLU 195 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3i01 h GLU 195 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3i01 h GLU 195 CO 0.07 0.50 0.00 0.39 0.07 0.00 0.00 179.01 180.04 3i01 n GLU 196 N -3.77 0.95 -2.74 1.06 -0.58 -1.06 -4.90 120.64 109.61 3i01 n GLU 196 Ca -0.01 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.55 3i01 n GLU 196 Cb 0.54 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 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 -0.50 -4.75 -4.78 1.62 3.02 -1.07 -4.99 115.26 103.82 3i01 n ASN 197 Ca 0.00 -0.07 -0.37 0.00 -0.03 0.00 0.00 54.58 54.11 3i01 n ASN 197 Cb 0.00 -3.95 -0.06 0.00 -0.61 0.00 0.00 39.78 35.17 3i01 n ASN 197 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3i01 s VAL 198 N -2.88 4.03 -0.32 2.41 -7.23 -0.26 -4.96 120.40 111.18 3i01 s VAL 198 Ca 0.14 1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 61.76 3i01 s VAL 198 Cb -0.07 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 32.95 3i01 s VAL 198 CO 0.18 0.12 0.75 -0.54 -0.31 0.00 0.00 175.10 175.29 3i01 s LYS 199 N -2.14 3.89 0.18 4.82 1.02 -1.26 -4.60 119.74 121.65 3i01 s LYS 199 Ca 0.52 0.44 0.11 0.00 0.02 0.00 0.00 55.97 57.05 3i01 s LYS 199 Cb -0.20 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 3i01 s LYS 199 CO 0.26 -0.70 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.25 3i01 s LEU 200 N 2.91 2.43 0.00 3.17 1.43 -1.26 -4.91 118.68 122.44 3i01 s LEU 200 Ca 0.30 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3i01 s LEU 200 Cb -0.14 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.97 3i01 s LEU 200 CO 0.13 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3i01 n GLY 201 N 0.31 1.02 0.27 -3.19 0.00 0.82 -4.84 105.19 99.58 3i01 n GLY 201 Ca -0.13 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 0.89 0.00 -0.61 2.04 -1.81 -1.41 117.51 116.61 3i01 h ILE 202 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3i01 h ILE 202 Cb 0.00 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3i01 h ILE 202 CO 0.00 0.12 0.00 0.47 0.00 0.00 0.00 178.15 178.74 3i01 n ASP 203 N -4.82 0.00 -0.58 1.72 8.00 -1.26 -1.93 116.55 117.68 3i01 n ASP 203 Ca 0.11 0.34 0.08 0.00 0.71 0.00 0.00 54.79 56.03 3i01 n ASP 203 Cb 0.24 -0.43 0.05 0.00 -0.02 0.00 0.00 41.12 40.97 3i01 n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i01 n TYR 204 N -1.43 0.00 -3.23 1.24 4.01 -0.55 -3.38 117.16 113.82 3i01 n TYR 204 Ca 0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.56 3i01 n TYR 204 Cb 0.18 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.66 -2.10 -3.39 -0.72 5.41 -0.81 -4.43 119.36 113.98 3i01 n ILE 205 Ca 0.09 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.63 3i01 n ILE 205 Cb 0.38 -3.37 -0.09 0.00 -0.71 0.00 0.00 39.64 35.85 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 -3.19 -0.03 -0.40 -1.39 0.00 -1.06 -1.61 121.76 114.07 3i01 s ALA 206 Ca 0.40 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 3i01 s ALA 206 Cb -0.18 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.05 3i01 s ALA 206 CO 0.49 -2.11 0.46 0.71 0.00 0.00 0.00 175.76 175.31 3i01 s TYR 207 N 1.37 3.16 -0.54 0.00 2.02 0.52 -0.13 117.35 123.75 3i01 s TYR 207 Ca 0.17 -0.22 -0.28 0.00 -0.37 0.00 0.00 57.07 56.36 3i01 s TYR 207 Cb -0.17 -2.93 0.03 0.00 -0.40 0.00 0.00 41.96 38.48 3i01 s TYR 207 CO -0.03 -0.67 1.21 -2.14 -1.57 0.00 0.00 175.55 172.34 3i01 s PRO 208 N 2.24 3.57 0.13 -1.71 0.02 -1.26 -0.44 135.00 137.54 3i01 s PRO 208 Ca 0.14 0.41 0.05 0.00 0.02 0.00 0.00 61.00 61.62 3i01 s PRO 208 Cb -0.16 -3.99 -0.17 0.00 0.02 0.00 0.00 34.50 30.20 3i01 s PRO 208 CO 0.14 -1.60 1.29 -0.07 -0.33 0.00 0.00 177.00 176.43 3i01 h LEU 209 N 11.81 0.07 0.00 -5.54 3.38 -1.35 0.14 115.31 123.82 3i01 h LEU 209 Ca -0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3i01 h LEU 209 Cb 1.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3i01 h LEU 209 CO 1.16 1.02 0.00 0.61 0.09 0.00 0.00 178.44 181.33 3i01 n GLY 210 N 1.27 0.15 3.19 0.83 0.00 -1.26 -2.96 105.19 106.41 3i01 n GLY 210 Ca -0.01 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 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 1.06 1.69 1.61 0.02 -1.26 -1.27 114.94 112.80 3i01 s ASN 211 Ca 0.00 -1.08 0.00 0.00 -1.02 0.00 0.00 52.86 50.76 3i01 s ASN 211 Cb 0.00 0.13 0.00 0.00 0.02 0.00 0.00 41.25 41.40 3i01 s ASN 211 CO 0.00 -0.53 0.00 0.33 0.02 0.00 0.00 177.10 176.92 3i01 n PHE 212 N -0.11 0.00 0.27 2.20 7.35 -1.26 -0.74 117.46 125.16 3i01 n PHE 212 Ca -0.10 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.67 3i01 n PHE 212 Cb 0.62 0.00 0.35 0.00 0.35 0.00 0.00 39.48 40.80 3i01 n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3i01 n THR 213 N 0.00 1.22 0.30 -2.13 -2.24 -1.26 -2.27 114.28 107.90 3i01 n THR 213 Ca 0.00 0.43 0.18 0.00 -2.27 0.00 0.00 64.05 62.39 3i01 n THR 213 Cb 0.00 -1.35 0.85 0.00 -2.10 0.00 0.00 70.33 67.73 3i01 n THR 213 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3i01 h GLN 214 N 0.00 0.00 -1.30 -0.78 7.50 -1.28 -2.15 115.11 117.10 3i01 h GLN 214 Ca 0.00 0.00 0.38 0.00 0.50 0.00 0.00 58.65 59.53 3i01 h GLN 214 Cb 0.16 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.63 3i01 h GLN 214 CO 0.00 0.00 0.98 0.97 -1.50 0.00 0.00 178.83 179.28 3i01 h ILE 215 N 0.00 0.29 0.00 2.54 6.09 -1.64 0.19 117.51 124.98 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 0.25 0.31 0.00 0.00 0.47 0.00 0.00 36.82 37.84 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 -1.66 -2.18 116.25 117.64 3i01 h VAL 216 Ca 0.62 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 3i01 h VAL 216 Cb 2.57 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 33.13 3i01 h VAL 216 CO -0.01 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.96 3i01 n HIS 217 N -2.80 0.35 0.03 3.17 8.25 0.05 -0.62 115.22 123.66 3i01 n HIS 217 Ca 0.01 0.14 -0.19 0.00 -0.26 0.00 0.00 57.72 57.41 3i01 n HIS 217 Cb 0.26 -0.72 -0.14 0.00 1.12 0.00 0.00 29.99 30.51 3i01 n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i01 h ALA 218 N 2.41 -0.06 -0.31 -1.41 0.00 -1.58 -3.19 119.26 115.13 3i01 h ALA 218 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 3i01 h ALA 218 Cb 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i01 h ALA 218 CO 0.00 0.34 0.01 0.00 0.00 0.00 0.00 179.25 179.60 3i01 h ALA 219 N 0.12 0.41 0.00 0.00 0.00 -1.39 -2.14 119.26 116.27 3i01 h ALA 219 Ca -0.12 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3i01 h ALA 219 Cb 1.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3i01 h ALA 219 CO 0.14 0.15 -0.40 -2.95 0.00 0.00 0.00 179.25 176.19 3i01 h ASN 220 N 0.34 0.00 0.29 0.00 7.08 -1.05 -2.04 115.58 120.19 3i01 h ASN 220 Ca 0.09 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.29 3i01 h ASN 220 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.66 3i01 h ASN 220 CO 0.01 0.40 -0.14 0.22 -2.08 0.00 0.00 177.43 175.85 3i01 h TYR 221 N 0.00 -0.35 -0.91 4.14 5.03 -1.49 -2.88 116.97 120.50 3i01 h TYR 221 Ca -0.00 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.47 3i01 h TYR 221 Cb 0.74 0.12 -0.17 0.00 1.55 0.00 0.00 36.73 38.97 3i01 h TYR 221 CO 0.00 -0.22 -0.26 0.00 -1.32 0.00 0.00 178.16 176.36 3i01 n ALA 222 N -2.23 0.13 0.21 1.82 0.00 -0.82 -1.92 120.51 117.71 3i01 n ALA 222 Ca -0.05 0.98 0.06 0.00 0.00 0.00 0.00 53.44 54.43 3i01 n ALA 222 Cb 0.15 -0.55 0.47 0.00 0.00 0.00 0.00 19.45 19.52 3i01 n ALA 222 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i01 h LEU 223 N 0.00 0.00 -1.19 0.00 3.38 -1.45 -2.67 115.31 113.38 3i01 h LEU 223 Ca 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 3i01 h LEU 223 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3i01 h LEU 223 CO -0.93 0.28 0.29 0.03 0.09 0.00 0.00 178.44 178.19 3i01 h ARG 224 N 0.00 0.86 -0.75 1.13 3.08 -1.15 -3.12 114.38 114.43 3i01 h ARG 224 Ca -0.00 -0.11 0.10 0.00 0.07 0.00 0.00 59.98 60.04 3i01 h ARG 224 Cb 0.55 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 3i01 h ARG 224 CO 0.04 0.66 0.39 0.00 -1.07 0.00 0.00 179.97 179.99 3i01 h ALA 225 N 1.47 1.05 -0.28 0.04 0.00 -1.52 0.77 119.26 120.79 3i01 h ALA 225 Ca 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3i01 h ALA 225 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3i01 h ALA 225 CO -0.03 -0.02 -0.16 0.78 0.00 0.00 0.00 179.25 179.82 3i01 h GLY 226 N 0.64 0.53 1.55 0.00 0.00 -1.67 -1.98 103.07 102.14 3i01 h GLY 226 Ca 0.37 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 3i01 h GLY 226 CO -0.27 0.36 -1.08 -0.33 0.00 0.00 0.00 176.54 175.21 3i01 h MET 227 N 0.45 0.00 0.00 4.80 2.07 -0.91 -0.34 114.93 121.00 3i01 h MET 227 Ca 0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 3i01 h MET 227 Cb 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 3i01 h MET 227 CO 0.04 0.56 0.00 -1.33 1.07 0.00 0.00 176.91 177.24 3i01 n MET 228 N -3.13 0.00 -0.26 1.72 2.81 0.25 -3.94 117.12 114.56 3i01 n MET 228 Ca -0.05 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.90 3i01 n MET 228 Cb 0.86 0.00 0.20 0.00 -0.71 0.00 0.00 33.22 33.57 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 0.49 0.00 2.03 0.04 -1.57 -2.18 116.94 115.76 3i01 h PHE 229 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3i01 h PHE 229 Cb 0.00 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3i01 h PHE 229 CO 0.00 0.03 0.00 0.78 -0.60 0.00 0.00 178.31 178.52 3i01 h GLY 230 N 0.42 0.00 -1.44 -1.45 0.00 -1.28 -3.34 103.07 95.98 3i01 h GLY 230 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.44 3i01 h GLY 230 CO -0.43 0.00 -0.29 0.61 0.00 0.00 0.00 176.54 176.43 3i01 n GLY 231 N 0.55 1.31 3.71 4.60 0.00 -0.82 -4.80 105.19 109.75 3i01 n GLY 231 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3i01 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i01 s VAL 232 N -2.34 2.96 0.01 1.61 1.01 -0.17 -4.91 120.40 118.56 3i01 s VAL 232 Ca 0.00 0.63 -0.36 0.00 0.00 0.00 0.00 61.98 62.25 3i01 s VAL 232 Cb 0.00 -3.40 -0.15 0.00 0.00 0.00 0.00 36.38 32.83 3i01 s VAL 232 CO 0.00 0.04 1.61 0.41 0.00 0.00 0.00 175.10 177.15 3i01 n THR 233 N 4.15 0.18 -1.69 3.92 -1.04 -1.26 -4.45 114.28 114.09 3i01 n THR 233 Ca 0.14 -0.03 -0.44 0.00 -2.04 0.00 0.00 64.05 61.67 3i01 n THR 233 Cb 0.40 -1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.53 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 4.21 2.36 0.00 -2.82 -0.02 -1.26 -2.10 135.00 135.37 3i01 n PRO 234 Ca 0.20 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3i01 n PRO 234 Cb 0.23 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 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 3.10 1.23 3.30 -1.23 0.00 0.10 -4.50 105.19 107.19 3i01 n GLY 235 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.92 4.23 -0.14 4.61 0.00 -0.89 -4.62 120.51 121.77 3i01 n ALA 236 Ca 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 53.44 49.40 3i01 n ALA 236 Cb 0.00 -3.39 0.05 0.00 0.00 0.00 0.00 19.45 16.11 3i01 n ALA 236 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i01 h ARG 237 N 6.94 0.29 -0.24 0.00 2.43 -1.80 -1.24 114.38 120.76 3i01 h ARG 237 Ca 0.44 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.43 3i01 h ARG 237 Cb 0.80 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3i01 h ARG 237 CO 1.51 0.19 -0.49 1.49 -1.51 0.00 0.00 179.97 181.16 3i01 h GLU 238 N 0.29 0.66 -0.71 0.20 4.22 -1.93 -1.41 114.58 115.91 3i01 h GLU 238 Ca 0.22 -0.38 -0.05 0.00 0.08 0.00 0.00 59.36 59.23 3i01 h GLU 238 Cb 0.25 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3i01 h GLU 238 CO -0.25 1.00 0.24 0.93 -2.18 0.00 0.00 179.01 178.75 3i01 h GLU 239 N 0.52 1.07 -0.29 1.92 5.08 -1.90 -0.95 114.58 120.03 3i01 h GLU 239 Ca 0.02 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3i01 h GLU 239 Cb 1.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3i01 h GLU 239 CO 0.10 0.90 0.12 1.96 -1.00 0.00 0.00 179.01 181.09 3i01 h GLN 240 N 1.04 0.43 -0.48 2.33 1.08 -0.89 -0.61 115.11 118.01 3i01 h GLN 240 Ca 0.23 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.25 3i01 h GLN 240 Cb 0.26 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3i01 h GLN 240 CO -0.01 0.44 -0.10 0.00 -0.95 0.00 0.00 178.83 178.21 3i01 h ARG 241 N 0.32 0.91 -0.69 1.46 3.08 -1.13 -1.02 114.38 117.31 3i01 h ARG 241 Ca 0.10 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3i01 h ARG 241 Cb 0.17 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3i01 h ARG 241 CO -0.01 1.00 0.40 0.22 -1.07 0.00 0.00 179.97 180.51 3i01 h ASP 242 N 0.76 0.85 -0.60 7.04 3.58 -1.10 0.56 116.42 127.51 3i01 h ASP 242 Ca 0.12 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3i01 h ASP 242 Cb 0.65 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 3i01 h ASP 242 CO 0.04 0.68 0.30 0.22 -2.88 0.00 0.00 179.24 177.60 3i01 h TYR 243 N 0.95 0.86 -0.02 0.28 5.03 -0.68 -1.37 116.97 122.01 3i01 h TYR 243 Ca 0.25 -0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.54 3i01 h TYR 243 Cb -0.00 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 37.99 3i01 h TYR 243 CO -0.01 0.64 -0.09 1.96 -1.32 0.00 0.00 178.16 179.34 3i01 h GLN 244 N 0.82 -0.15 -0.98 1.82 1.08 -0.66 -0.88 115.11 116.16 3i01 h GLN 244 Ca 0.21 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.43 3i01 h GLN 244 Cb 0.10 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 3i01 h GLN 244 CO -0.03 -0.10 0.65 -0.09 -0.95 0.00 0.00 178.83 178.32 3i01 h ARG 245 N -0.15 1.29 -0.01 1.46 9.65 -0.64 -1.55 114.38 124.42 3i01 h ARG 245 Ca 0.04 -0.08 -0.25 0.00 -1.10 0.00 0.00 59.98 58.59 3i01 h ARG 245 Cb 0.21 -0.29 0.01 0.00 -1.39 0.00 0.00 29.97 28.51 3i01 h ARG 245 CO -0.11 0.85 -0.99 0.00 2.80 0.00 0.00 179.97 182.52 3i01 h ARG 246 N 1.33 0.63 0.00 0.20 3.08 -1.18 -3.43 114.38 115.02 3i01 h ARG 246 Ca 0.36 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3i01 h ARG 246 Cb -0.15 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3i01 h ARG 246 CO -0.08 1.26 -1.05 0.54 -1.07 0.00 0.00 179.97 179.56 3i01 n ARG 247 N -3.83 2.80 -2.96 0.04 1.74 -0.34 -4.87 116.66 109.24 3i01 n ARG 247 Ca -0.09 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.55 3i01 n ARG 247 Cb 0.86 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 31.24 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 -2.02 4.65 -1.35 0.55 -1.09 -0.60 -4.96 121.20 116.38 3i01 s ILE 248 Ca -0.01 -1.08 -0.10 0.00 -2.23 0.00 0.00 60.65 57.24 3i01 s ILE 248 Cb 0.00 -4.67 0.11 0.00 -1.58 0.00 0.00 42.46 36.32 3i01 s ILE 248 CO 0.03 -1.39 2.12 0.54 -1.23 0.00 0.00 174.94 175.01 3i01 n ARG 249 N 6.78 3.62 -3.97 2.79 3.00 -1.26 -4.64 116.66 122.98 3i01 n ARG 249 Ca 0.07 -3.21 -0.30 0.00 -0.01 0.00 0.00 57.85 54.40 3i01 n ARG 249 Cb 0.46 -2.95 -0.05 0.00 0.00 0.00 0.00 32.46 29.93 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 0.89 3.86 0.08 7.54 0.00 -1.26 -0.07 121.76 132.79 3i01 s ALA 250 Ca 0.46 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 3i01 s ALA 250 Cb 0.13 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 3i01 s ALA 250 CO -0.04 0.77 0.03 -0.59 0.00 0.00 0.00 175.76 175.93 3i01 s PHE 251 N -1.50 0.53 -0.19 0.00 -0.12 -0.85 -4.22 117.98 111.62 3i01 s PHE 251 Ca 0.33 -1.02 -0.07 0.00 -0.05 0.00 0.00 56.93 56.13 3i01 s PHE 251 Cb -0.12 -0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 41.89 3i01 s PHE 251 CO 0.26 -0.45 0.04 0.08 -0.05 0.00 0.00 175.22 175.10 3i01 s VAL 252 N -3.94 4.47 -0.49 -2.49 1.01 -0.20 -0.69 120.40 118.07 3i01 s VAL 252 Ca 0.11 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 3i01 s VAL 252 Cb 0.07 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.50 3i01 s VAL 252 CO -0.07 0.44 0.50 -0.76 0.00 0.00 0.00 175.10 175.21 3i01 s LEU 253 N 0.68 5.35 -0.59 3.92 1.43 0.14 -0.26 118.68 129.36 3i01 s LEU 253 Ca 0.02 -1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 51.77 3i01 s LEU 253 Cb -0.14 -2.30 0.10 0.00 0.03 0.00 0.00 46.19 43.88 3i01 s LEU 253 CO 0.02 -0.76 0.72 -0.47 0.23 0.00 0.00 176.35 176.09 3i01 s TYR 254 N 2.08 2.97 -0.09 0.29 6.14 0.73 -1.43 117.35 128.04 3i01 s TYR 254 Ca 0.09 -0.88 -0.01 0.00 0.64 0.00 0.00 57.07 56.91 3i01 s TYR 254 Cb -0.22 -3.99 -0.03 0.00 0.42 0.00 0.00 41.96 38.13 3i01 s TYR 254 CO 0.09 -1.30 -0.03 -0.51 0.64 0.00 0.00 175.55 174.44 3i01 s LEU 255 N 2.81 3.38 0.00 6.97 1.43 0.54 -2.71 118.68 131.10 3i01 s LEU 255 Ca 0.13 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3i01 s LEU 255 Cb -0.23 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3i01 s LEU 255 CO 0.07 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.59 3i01 n GLY 256 N 2.46 -2.93 3.67 -3.19 0.00 -0.87 -0.98 105.19 103.35 3i01 n GLY 256 Ca -0.18 -1.92 -0.46 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.17 2.20 -2.10 1.61 2.13 -1.26 -4.74 120.64 118.30 3i01 n GLU 257 Ca 0.00 0.79 -0.33 0.00 0.66 0.00 0.00 57.16 58.29 3i01 n GLU 257 Cb 0.00 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.14 3i01 n GLU 257 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 3i01 s HIS 258 N 1.34 3.02 0.10 4.31 3.76 -1.26 -4.98 115.29 121.57 3i01 s HIS 258 Ca 0.80 1.51 -0.01 0.00 -0.15 0.00 0.00 55.06 57.22 3i01 s HIS 258 Cb -0.67 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 29.98 3i01 s HIS 258 CO 0.39 -1.05 0.02 0.16 -0.85 0.00 0.00 174.74 173.41 3i01 s ASP 259 N -2.74 0.43 0.34 1.40 -4.77 -1.26 -5.08 116.67 104.99 3i01 s ASP 259 Ca 0.64 -1.12 0.12 0.00 -3.30 0.00 0.00 52.55 48.88 3i01 s ASP 259 Cb -0.16 0.25 0.62 0.00 -1.09 0.00 0.00 42.92 42.54 3i01 s ASP 259 CO 0.35 -0.67 1.77 0.00 0.70 0.00 0.00 175.17 177.32 3i01 h MET 260 N 2.97 0.01 -0.05 2.11 -0.00 -1.97 -1.53 114.93 116.47 3i01 h MET 260 Ca -0.35 -0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.25 3i01 h MET 260 Cb 1.18 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.78 3i01 h MET 260 CO 0.62 0.44 -0.34 0.28 -0.00 0.00 0.00 176.91 177.92 3i01 h VAL 261 N 0.01 1.45 -0.80 -0.10 2.07 -1.88 -1.01 116.25 115.99 3i01 h VAL 261 Ca -0.00 -1.81 0.05 0.00 0.82 0.00 0.00 66.70 65.75 3i01 h VAL 261 Cb 0.78 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 3i01 h VAL 261 CO 0.06 0.52 0.52 0.11 0.02 0.00 0.00 177.57 178.80 3i01 h LYS 262 N -0.22 0.91 0.19 1.57 1.57 -1.89 -0.23 116.57 118.46 3i01 h LYS 262 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3i01 h LYS 262 Cb 1.02 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3i01 h LYS 262 CO 0.07 0.60 -0.09 1.15 -0.57 0.00 0.00 179.45 180.61 3i01 h THR 263 N 0.93 0.92 -0.56 -0.16 2.02 -1.25 0.90 112.91 115.71 3i01 h THR 263 Ca 0.33 -0.79 0.11 0.00 0.77 0.00 0.00 66.41 66.83 3i01 h THR 263 Cb 0.13 1.37 -0.10 0.00 -1.74 0.00 0.00 68.15 67.81 3i01 h THR 263 CO -0.11 0.17 -0.05 0.00 0.37 0.00 0.00 175.52 175.90 3i01 h ALA 264 N 0.03 0.48 -0.88 6.16 0.00 -1.09 -1.09 119.26 122.87 3i01 h ALA 264 Ca -0.03 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3i01 h ALA 264 Cb 0.47 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3i01 h ALA 264 CO 0.04 -0.41 0.52 0.00 0.00 0.00 0.00 179.25 179.40 3i01 h ALA 265 N 1.53 1.30 -0.92 0.00 0.00 -0.89 -1.77 119.26 118.50 3i01 h ALA 265 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i01 h ALA 265 Cb 0.44 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3i01 h ALA 265 CO -0.52 0.11 0.58 0.00 0.00 0.00 0.00 179.25 179.42 3i01 h ALA 266 N 1.50 1.28 0.00 0.00 0.00 -0.06 -2.54 119.26 119.44 3i01 h ALA 266 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3i01 h ALA 266 Cb 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i01 h ALA 266 CO -0.27 0.64 0.00 0.74 0.00 0.00 0.00 179.25 180.36 3i01 h PHE 267 N 1.26 0.00 -0.45 0.00 0.04 -0.37 -0.32 116.94 117.11 3i01 h PHE 267 Ca 0.33 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.02 3i01 h PHE 267 Cb -0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3i01 h PHE 267 CO 0.00 0.00 -0.08 0.78 -0.60 0.00 0.00 178.31 178.42 3i01 h GLY 268 N 1.61 0.85 0.88 -1.45 0.00 -0.99 0.04 103.07 104.02 3i01 h GLY 268 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.63 3i01 h GLY 268 CO 0.00 0.57 -0.15 0.00 0.00 0.00 0.00 176.54 176.96 3i01 h ALA 269 N 1.20 0.37 -0.23 3.60 0.00 -1.04 -3.02 119.26 120.13 3i01 h ALA 269 Ca 0.13 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3i01 h ALA 269 Cb 0.55 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3i01 h ALA 269 CO 0.03 0.26 -0.16 0.82 0.00 0.00 0.00 179.25 180.20 3i01 h ILE 270 N 0.29 0.54 -0.98 0.00 2.04 -1.07 -1.42 117.51 116.91 3i01 h ILE 270 Ca 0.06 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.24 3i01 h ILE 270 Cb 0.66 0.54 -0.17 0.00 -0.74 0.00 0.00 36.82 37.11 3i01 h ILE 270 CO 0.04 0.00 0.30 0.15 0.00 0.00 0.00 178.15 178.64 3i01 h PHE 271 N -0.15 0.43 -0.01 1.37 3.57 -0.92 0.33 116.94 121.56 3i01 h PHE 271 Ca 0.13 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3i01 h PHE 271 Cb 0.35 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3i01 h PHE 271 CO -0.33 -0.39 -0.04 2.41 -2.23 0.00 0.00 178.31 177.73 3i01 n THR 272 N -5.32 0.00 0.00 4.41 -1.04 -0.90 -4.96 114.28 106.47 3i01 n THR 272 Ca 0.29 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3i01 n THR 272 Cb 0.96 0.35 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 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 1.19 1.10 3.56 3.41 0.00 0.11 -3.91 105.19 110.64 3i01 n GLY 273 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 3.14 0.52 1.61 0.08 -0.58 -4.85 117.98 115.90 3i01 s PHE 274 Ca 0.00 -0.13 -0.18 0.00 0.12 0.00 0.00 56.93 56.74 3i01 s PHE 274 Cb 0.00 -2.05 -0.07 0.00 -0.57 0.00 0.00 43.02 40.33 3i01 s PHE 274 CO 0.00 0.02 1.03 -1.25 -0.10 0.00 0.00 175.22 174.92 3i01 s PRO 275 N 0.52 3.70 -0.19 0.24 0.04 -1.26 -2.91 135.00 135.14 3i01 s PRO 275 Ca 0.01 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 3i01 s PRO 275 Cb -0.13 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3i01 s PRO 275 CO 0.02 -0.50 -0.07 0.08 0.04 0.00 0.00 177.00 176.57 3i01 s VAL 276 N -2.26 3.32 -0.13 -0.36 1.01 0.12 -1.03 120.40 121.08 3i01 s VAL 276 Ca 0.64 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3i01 s VAL 276 Cb -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3i01 s VAL 276 CO 0.27 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 175.00 3i01 s ILE 277 N 1.04 2.33 0.03 2.22 1.09 0.64 -2.03 121.20 126.52 3i01 s ILE 277 Ca 0.00 -0.90 0.05 0.00 -1.10 0.00 0.00 60.65 58.70 3i01 s ILE 277 Cb -0.15 -1.94 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 3i01 s ILE 277 CO -0.00 0.54 -0.12 0.28 -0.10 0.00 0.00 174.94 175.54 3i01 s THR 278 N 0.57 3.26 -1.63 2.92 -1.32 0.35 -0.19 115.64 119.59 3i01 s THR 278 Ca -0.12 -0.98 0.29 0.00 -1.21 0.00 0.00 61.69 59.67 3i01 s THR 278 Cb -0.16 -2.41 0.62 0.00 -1.51 0.00 0.00 72.50 69.04 3i01 s THR 278 CO 0.04 0.35 2.03 -0.90 -2.21 0.00 0.00 174.62 173.93 3i01 n ASP 279 N 1.51 0.00 -4.77 8.08 5.75 -1.10 -1.08 116.55 124.94 3i01 n ASP 279 Ca -0.16 -0.41 -0.38 0.00 -0.01 0.00 0.00 54.79 53.84 3i01 n ASP 279 Cb 0.52 -0.18 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 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 -2.37 4.59 0.47 0.11 -1.52 -1.26 -4.43 119.66 115.26 3i01 s GLN 280 Ca 0.33 1.39 -0.22 0.00 -1.95 0.00 0.00 55.36 54.92 3i01 s GLN 280 Cb 0.20 -2.87 -0.08 0.00 -0.22 0.00 0.00 33.01 30.04 3i01 s GLN 280 CO 0.40 0.28 1.11 -1.25 -0.25 0.00 0.00 175.29 175.58 3i01 s PRO 281 N -1.92 3.78 -0.01 2.91 0.04 -1.26 -4.67 135.00 133.87 3i01 s PRO 281 Ca 0.49 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.18 3i01 s PRO 281 Cb -0.21 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 3i01 s PRO 281 CO 0.26 -0.50 -0.07 -0.51 0.04 0.00 0.00 177.00 176.22 3i01 s LEU 282 N -3.15 1.89 1.07 -3.56 1.43 -1.26 -5.08 118.68 110.02 3i01 s LEU 282 Ca 0.65 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.49 3i01 s LEU 282 Cb -0.24 -0.40 0.23 0.00 0.03 0.00 0.00 46.19 45.81 3i01 s LEU 282 CO 0.30 0.06 1.07 -2.84 0.23 0.00 0.00 176.35 175.17 3i01 s PRO 283 N 0.03 -0.19 0.32 1.29 0.02 -1.26 -4.91 135.00 130.30 3i01 s PRO 283 Ca -0.00 0.61 0.07 0.00 0.02 0.00 0.00 61.00 61.70 3i01 s PRO 283 Cb -0.05 -1.66 0.75 0.00 0.02 0.00 0.00 34.50 33.56 3i01 s PRO 283 CO -0.00 -3.17 1.81 0.93 -0.33 0.00 0.00 177.00 176.24 3i01 h GLU 284 N -2.22 0.75 -0.65 5.54 5.08 -2.01 -2.31 114.58 118.77 3i01 h GLU 284 Ca -0.58 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 3i01 h GLU 284 Cb 1.33 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3i01 h GLU 284 CO 0.55 0.49 0.00 -0.40 -1.00 0.00 0.00 179.01 178.66 3i01 n ASP 285 N -4.68 4.41 -0.65 1.42 3.85 -1.26 -3.67 116.55 115.98 3i01 n ASP 285 Ca 0.21 -2.42 0.06 0.00 -0.71 0.00 0.00 54.79 51.93 3i01 n ASP 285 Cb 0.53 -0.56 0.15 0.00 -1.35 0.00 0.00 41.12 39.89 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 1.00 1.13 -3.98 0.11 5.02 -0.87 -3.01 118.16 117.55 3i01 n LYS 286 Ca 0.24 -2.76 -0.09 0.00 -2.02 0.00 0.00 58.31 53.68 3i01 n LYS 286 Cb 0.83 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 34.52 3i01 n LYS 286 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3i01 s GLN 287 N -2.35 0.54 -0.15 1.97 1.03 -1.24 -4.82 119.66 114.65 3i01 s GLN 287 Ca 0.33 -0.87 -0.02 0.00 0.04 0.00 0.00 55.36 54.85 3i01 s GLN 287 Cb 0.33 0.20 0.05 0.00 0.03 0.00 0.00 33.01 33.62 3i01 s GLN 287 CO -0.06 -0.12 0.01 0.42 -2.54 0.00 0.00 175.29 173.00 3i01 s ILE 288 N -2.79 0.56 0.16 3.63 1.01 0.95 -4.66 121.20 120.06 3i01 s ILE 288 Ca -0.03 -0.35 -0.34 0.00 0.00 0.00 0.00 60.65 59.93 3i01 s ILE 288 Cb -0.00 -0.91 -0.15 0.00 0.01 0.00 0.00 42.46 41.41 3i01 s ILE 288 CO -0.06 -0.01 1.33 -2.65 0.00 0.00 0.00 174.94 173.55 3i01 n PRO 289 N 5.06 1.52 0.00 2.79 -0.02 -1.26 -1.10 135.00 141.99 3i01 n PRO 289 Ca -0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3i01 n PRO 289 Cb 0.48 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.41 0.00 0.00 2.55 8.00 -1.26 -4.67 116.55 123.57 3i01 n ASP 290 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 3i01 n ASP 290 Cb 0.25 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.97 0.00 -3.40 1.24 7.02 -0.63 -4.69 117.44 115.01 3i01 n TRP 291 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 3i01 n TRP 291 Cb 0.00 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.80 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 -1.87 -0.53 0.23 -5.99 2.19 -0.25 0.11 117.98 111.88 3i01 s PHE 292 Ca 0.00 -0.00 -0.18 0.00 0.33 0.00 0.00 56.93 57.08 3i01 s PHE 292 Cb 0.00 -0.38 0.02 0.00 -1.31 0.00 0.00 43.02 41.35 3i01 s PHE 292 CO 0.00 -0.88 0.58 -0.59 1.83 0.00 0.00 175.22 176.16 3i01 s PHE 293 N 2.39 -0.04 -0.17 10.12 -0.12 -0.86 -0.03 117.98 129.27 3i01 s PHE 293 Ca 0.09 -0.34 -0.08 0.00 -0.05 0.00 0.00 56.93 56.55 3i01 s PHE 293 Cb -0.14 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 3i01 s PHE 293 CO -0.29 -1.04 0.10 0.45 -0.05 0.00 0.00 175.22 174.39 3i01 s SER 294 N -2.92 5.97 -0.28 1.98 0.15 -1.26 -0.50 113.70 116.84 3i01 s SER 294 Ca 0.13 0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.96 3i01 s SER 294 Cb -0.03 -2.01 0.09 0.00 -1.71 0.00 0.00 66.02 62.37 3i01 s SER 294 CO 0.03 0.23 0.10 -0.69 1.20 0.00 0.00 173.24 174.10 3i01 s VAL 295 N 0.07 0.51 -0.09 4.45 1.01 -0.24 -4.93 120.40 121.19 3i01 s VAL 295 Ca 0.08 -1.05 0.13 0.00 0.00 0.00 0.00 61.98 61.14 3i01 s VAL 295 Cb -0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3i01 s VAL 295 CO -0.00 -0.62 1.36 -0.33 0.00 0.00 0.00 175.10 175.51 3i01 h GLU 296 N 8.22 0.00 -6.59 2.72 5.08 -1.78 -3.35 114.58 118.88 3i01 h GLU 296 Ca -0.16 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.64 3i01 h GLU 296 Cb 1.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 3i01 h GLU 296 CO 0.44 0.61 1.02 0.34 -1.00 0.00 0.00 179.01 180.42 3i01 s ASP 297 N -6.48 6.42 0.63 1.42 -1.08 -1.26 -4.89 116.67 111.43 3i01 s ASP 297 Ca 0.03 0.61 0.40 0.00 -0.52 0.00 0.00 52.55 53.07 3i01 s ASP 297 Cb 0.08 -2.54 2.15 0.00 -1.46 0.00 0.00 42.92 41.15 3i01 s ASP 297 CO 0.77 -1.41 2.29 1.88 0.52 0.00 0.00 175.17 179.22 3i01 h TYR 298 N 10.19 0.00 0.00 -5.34 -1.99 -1.99 -2.12 116.97 115.72 3i01 h TYR 298 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 3i01 h TYR 298 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 3i01 h TYR 298 CO 0.98 0.01 -0.02 -0.25 -0.00 0.00 0.00 178.16 178.88 3i01 n ASP 299 N -3.21 0.45 -0.00 3.88 10.43 -1.26 -3.65 116.55 123.19 3i01 n ASP 299 Ca -0.02 0.52 0.08 0.00 2.57 0.00 0.00 54.79 57.93 3i01 n ASP 299 Cb 0.12 -0.63 -0.11 0.00 1.84 0.00 0.00 41.12 42.34 3i01 n ASP 299 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i01 n LYS 300 N -1.92 1.02 -0.02 -1.24 5.02 -0.81 -4.77 118.16 115.43 3i01 n LYS 300 Ca 0.06 -0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 3i01 n LYS 300 Cb 0.39 -1.32 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 3i01 n LYS 300 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3i01 h ILE 301 N 0.00 0.03 -0.64 -0.18 2.04 -1.58 -0.17 117.51 117.01 3i01 h ILE 301 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3i01 h ILE 301 Cb 0.59 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3i01 h ILE 301 CO 0.00 0.00 0.42 0.58 0.00 0.00 0.00 178.15 179.15 3i01 h VAL 302 N -0.54 1.15 -0.47 1.67 2.07 -1.86 -0.22 116.25 118.04 3i01 h VAL 302 Ca 0.05 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3i01 h VAL 302 Cb 0.66 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3i01 h VAL 302 CO -0.45 0.16 0.11 -0.61 0.02 0.00 0.00 177.57 176.79 3i01 h GLN 303 N 0.85 0.76 -0.06 1.57 4.15 -1.81 -1.67 115.11 118.90 3i01 h GLN 303 Ca 0.24 -0.19 -0.13 0.00 0.77 0.00 0.00 58.65 59.35 3i01 h GLN 303 Cb -0.07 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3i01 h GLN 303 CO -0.06 0.75 -0.53 0.82 -1.93 0.00 0.00 178.83 177.87 3i01 h ILE 304 N 0.64 1.37 -0.04 2.39 2.04 -0.51 -1.92 117.51 121.47 3i01 h ILE 304 Ca 0.15 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.18 3i01 h ILE 304 Cb 0.33 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3i01 h ILE 304 CO 0.00 0.53 -0.00 0.00 0.00 0.00 0.00 178.15 178.69 3i01 h ALA 305 N 1.31 0.05 -0.62 1.87 0.00 -0.79 -1.41 119.26 119.68 3i01 h ALA 305 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3i01 h ALA 305 Cb 0.99 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3i01 h ALA 305 CO 0.08 -0.27 0.36 0.52 0.00 0.00 0.00 179.25 179.94 3i01 h MET 306 N -0.24 0.67 -0.18 0.00 2.86 -1.21 -0.32 114.93 116.51 3i01 h MET 306 Ca 0.01 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3i01 h MET 306 Cb 0.34 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3i01 h MET 306 CO 0.00 0.45 0.00 0.93 1.06 0.00 0.00 176.91 179.35 3i01 h GLU 307 N 0.69 0.32 -0.92 1.72 5.08 -1.34 0.72 114.58 120.86 3i01 h GLU 307 Ca 0.26 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3i01 h GLU 307 Cb 0.10 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3i01 h GLU 307 CO -0.14 0.52 0.60 1.15 -1.00 0.00 0.00 179.01 180.14 3i01 h THR 308 N 0.08 1.18 0.00 1.13 2.02 -1.12 -2.76 112.91 113.43 3i01 h THR 308 Ca 0.05 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 3i01 h THR 308 Cb 0.38 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3i01 h THR 308 CO 0.01 0.21 -0.17 -0.09 0.37 0.00 0.00 175.52 175.86 3i01 h ARG 309 N 1.18 0.00 0.00 6.66 9.65 -0.87 -3.48 114.38 127.52 3i01 h ARG 309 Ca 0.36 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 3i01 h ARG 309 Cb -0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 3i01 h ARG 309 CO -0.11 0.17 0.00 0.41 2.80 0.00 0.00 179.97 183.24 3i01 n GLY 310 N 0.64 1.01 3.61 2.80 0.00 0.11 -5.04 105.19 108.33 3i01 n GLY 310 Ca 0.02 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 3i01 n GLY 310 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 311 N -2.00 5.20 -0.05 -0.61 1.01 -0.41 -5.03 121.20 119.31 3i01 s ILE 311 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.21 3i01 s ILE 311 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3i01 s ILE 311 CO 0.00 0.18 -0.15 -0.54 0.00 0.00 0.00 174.94 174.44 3i01 s LYS 312 N 1.93 2.48 -0.21 2.79 1.02 -1.26 -4.53 119.74 121.95 3i01 s LYS 312 Ca 0.14 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.31 3i01 s LYS 312 Cb -0.16 -2.36 0.07 0.00 -0.52 0.00 0.00 37.83 34.86 3i01 s LYS 312 CO 0.10 0.62 0.52 -0.48 -0.92 0.00 0.00 175.35 175.18 3i01 s LEU 313 N -0.74 -0.45 -0.05 3.17 0.05 -1.26 -5.01 118.68 114.39 3i01 s LEU 313 Ca 0.11 1.14 -0.08 0.00 0.05 0.00 0.00 54.13 55.36 3i01 s LEU 313 Cb -0.11 1.75 -0.03 0.00 -2.05 0.00 0.00 46.19 45.75 3i01 s LEU 313 CO 0.00 -0.21 -0.16 0.35 -0.55 0.00 0.00 176.35 175.78 3i01 n THR 314 N 4.36 1.20 -0.37 5.48 -2.24 -1.26 -5.02 114.28 116.44 3i01 n THR 314 Ca -0.21 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3i01 n THR 314 Cb 0.56 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 3i01 n THR 314 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i01 n LYS 315 N -3.85 0.00 0.00 -0.78 0.00 -1.26 -3.98 118.16 108.29 3i01 n LYS 315 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.20 3i01 n LYS 315 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 3i01 n LYS 315 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 3i01 n ILE 316 N 0.01 0.00 -2.90 3.15 -6.64 -1.26 -4.95 119.36 106.77 3i01 n ILE 316 Ca 0.00 0.00 -0.40 0.00 -1.77 0.00 0.00 62.75 60.58 3i01 n ILE 316 Cb 0.00 0.00 -0.05 0.00 -1.44 0.00 0.00 39.64 38.15 3i01 n ILE 316 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3i01 s LYS 317 N 0.00 4.56 1.00 6.28 2.20 -1.26 -5.09 119.74 127.44 3i01 s LYS 317 Ca 0.00 1.20 -0.13 0.00 -0.36 0.00 0.00 55.97 56.67 3i01 s LYS 317 Cb 0.00 -3.37 0.19 0.00 -1.51 0.00 0.00 37.83 33.14 3i01 s LYS 317 CO 0.00 0.26 1.12 -0.51 -0.36 0.00 0.00 175.35 175.86 3i01 s LEU 318 N -0.05 1.62 -0.61 5.43 2.01 -1.26 -5.03 118.68 120.78 3i01 s LEU 318 Ca 0.41 0.98 0.04 0.00 0.01 0.00 0.00 54.13 55.57 3i01 s LEU 318 Cb -0.21 -3.13 0.16 0.00 0.01 0.00 0.00 46.19 43.02 3i01 s LEU 318 CO 0.25 -3.09 0.41 -0.62 1.01 0.00 0.00 176.35 174.31 3i01 s ASP 319 N -3.77 4.29 0.28 2.29 -1.08 -1.26 -5.08 116.67 112.33 3i01 s ASP 319 Ca 0.66 -3.50 0.03 0.00 -0.52 0.00 0.00 52.55 49.23 3i01 s ASP 319 Cb -0.15 -1.47 -0.06 0.00 -1.46 0.00 0.00 42.92 39.78 3i01 s ASP 319 CO 0.56 -0.14 0.05 -0.76 0.52 0.00 0.00 175.17 175.39 3i01 s LEU 320 N -0.91 2.06 0.12 -1.34 1.43 -1.26 -5.05 118.68 113.73 3i01 s LEU 320 Ca 0.23 -1.33 0.27 0.00 -1.03 0.00 0.00 54.13 52.28 3i01 s LEU 320 Cb -0.10 -0.26 0.95 0.00 0.03 0.00 0.00 46.19 46.81 3i01 s LEU 320 CO -0.12 -0.60 1.81 -0.81 0.23 0.00 0.00 176.35 176.86 3i01 n PRO 321 N -0.55 0.15 -4.51 1.29 -0.04 -1.26 -4.86 135.00 125.22 3i01 n PRO 321 Ca -0.03 0.12 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 3i01 n PRO 321 Cb 0.66 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 -3.06 2.16 0.58 0.52 -4.36 -1.26 -4.69 121.20 111.09 3i01 s ILE 322 Ca 0.12 -2.22 -0.11 0.00 -0.26 0.00 0.00 60.65 58.18 3i01 s ILE 322 Cb 0.15 -2.55 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 3i01 s ILE 322 CO 0.58 -0.25 0.98 0.21 0.24 0.00 0.00 174.94 176.69 3i01 s ASN 323 N -3.56 6.29 -0.09 4.36 2.47 -1.26 -4.92 114.94 118.23 3i01 s ASN 323 Ca 0.31 1.35 -0.04 0.00 0.42 0.00 0.00 52.86 54.91 3i01 s ASN 323 Cb 0.02 -2.43 0.05 0.00 -1.45 0.00 0.00 41.25 37.43 3i01 s ASN 323 CO 0.15 -0.77 0.18 0.12 -3.72 0.00 0.00 177.10 173.06 3i01 s PHE 324 N -3.01 -0.23 0.00 0.43 5.36 -1.26 -0.56 117.98 118.70 3i01 s PHE 324 Ca 0.54 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 3i01 s PHE 324 Cb -0.11 -0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.41 3i01 s PHE 324 CO 0.49 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 174.40 3i01 n GLY 325 N 5.01 0.01 0.35 13.12 0.00 0.08 -4.55 105.19 119.21 3i01 n GLY 325 Ca -0.11 -0.96 0.18 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.56 1.61 0.13 -1.84 -2.68 132.00 128.66 3i01 h PRO 326 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3i01 h PRO 326 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3i01 h PRO 326 CO 0.00 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.14 3i01 h ALA 327 N 1.77 1.63 -0.00 -0.56 0.00 -1.85 -1.21 119.26 119.05 3i01 h ALA 327 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 327 Cb 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i01 h ALA 327 CO -0.00 0.33 -0.20 1.19 0.00 0.00 0.00 179.25 180.58 3i01 n PHE 328 N -4.46 0.00 -0.04 0.00 3.01 -1.01 -4.06 117.46 110.91 3i01 n PHE 328 Ca 0.06 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.42 3i01 n PHE 328 Cb 0.07 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.23 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 0.32 0.19 -0.14 -1.08 4.81 -1.17 -3.07 114.58 114.44 3i01 h GLU 329 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i01 h GLU 329 Cb 0.44 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3i01 h GLU 329 CO 0.00 0.13 0.00 0.41 -0.73 0.00 0.00 179.01 178.82 3i01 n GLY 330 N -1.16 -0.49 3.77 1.92 0.00 -1.22 -4.81 105.19 103.21 3i01 n GLY 330 Ca -0.03 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.85 1.78 0.01 1.61 -1.05 -1.16 -4.87 118.70 113.16 3i01 s GLU 331 Ca 0.04 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.57 3i01 s GLU 331 Cb 0.02 -1.88 -0.01 0.00 -0.44 0.00 0.00 34.13 31.83 3i01 s GLU 331 CO 0.03 -1.85 -0.01 -1.54 0.95 0.00 0.00 175.26 172.84 3i01 s SER 332 N -3.73 0.06 -0.46 0.83 1.04 -1.26 -5.01 113.70 105.17 3i01 s SER 332 Ca 0.62 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.78 3i01 s SER 332 Cb -0.16 0.03 0.08 0.00 0.10 0.00 0.00 66.02 66.07 3i01 s SER 332 CO 0.55 -0.08 0.36 -0.63 0.98 0.00 0.00 173.24 174.42 3i01 s ILE 333 N -0.38 4.87 0.64 -1.02 1.01 -1.26 -5.06 121.20 120.00 3i01 s ILE 333 Ca -0.04 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.19 3i01 s ILE 333 Cb -0.03 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3i01 s ILE 333 CO -0.00 -0.59 1.14 0.54 0.00 0.00 0.00 174.94 176.03 3i01 n ARG 334 N 5.10 0.97 0.07 2.79 1.74 -1.26 -4.74 116.66 121.33 3i01 n ARG 334 Ca -0.12 0.38 0.06 0.00 -0.77 0.00 0.00 57.85 57.41 3i01 n ARG 334 Cb 0.43 -2.37 0.30 0.00 -1.02 0.00 0.00 32.46 29.80 3i01 n ARG 334 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i01 n LYS 335 N -1.59 0.07 -0.16 5.56 4.01 -1.26 -0.34 118.16 124.45 3i01 n LYS 335 Ca 0.15 0.48 0.10 0.00 -0.51 0.00 0.00 58.31 58.53 3i01 n LYS 335 Cb 0.48 -1.69 0.18 0.00 -0.51 0.00 0.00 35.03 33.49 3i01 n LYS 335 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i01 n GLY 336 N -0.94 1.62 0.00 0.72 0.00 -1.26 -4.21 105.19 101.12 3i01 n GLY 336 Ca 0.01 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.43 3i01 n GLY 336 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i01 n ASP 337 N 1.20 2.68 -4.72 1.61 10.43 0.54 -5.02 116.55 123.28 3i01 n ASP 337 Ca 0.16 -0.21 -0.42 0.00 2.57 0.00 0.00 54.79 56.89 3i01 n ASP 337 Cb 0.53 1.12 -0.03 0.00 1.84 0.00 0.00 41.12 44.58 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 -1.96 4.33 -0.24 -1.24 1.75 -0.92 0.78 119.30 121.81 3i01 s MET 338 Ca -0.00 2.07 -0.09 0.00 -1.25 0.00 0.00 55.69 56.42 3i01 s MET 338 Cb 0.03 -3.24 -0.17 0.00 2.84 0.00 0.00 34.83 34.29 3i01 s MET 338 CO 0.17 -0.40 -0.12 0.98 -0.65 0.00 0.00 175.02 175.00 3i01 n TYR 339 N 3.70 0.35 -3.71 4.11 9.36 0.75 -4.12 117.16 127.60 3i01 n TYR 339 Ca 0.10 0.11 -0.11 0.00 3.32 0.00 0.00 57.90 61.32 3i01 n TYR 339 Cb 0.42 -1.04 -0.12 0.00 -0.63 0.00 0.00 39.34 37.98 3i01 n TYR 339 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3i01 s VAL 340 N -2.50 -0.03 -0.12 2.97 0.11 -1.17 0.05 120.40 119.72 3i01 s VAL 340 Ca -0.34 0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 3i01 s VAL 340 Cb 0.10 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 3i01 s VAL 340 CO 0.59 0.05 -0.10 -0.70 -3.33 0.00 0.00 175.10 171.60 3i01 s GLU 341 N 1.30 3.29 0.12 1.54 2.12 -0.99 -1.79 118.70 124.28 3i01 s GLU 341 Ca -0.09 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.67 3i01 s GLU 341 Cb -0.09 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 3i01 s GLU 341 CO -0.10 0.32 -0.15 0.00 -0.54 0.00 0.00 175.26 174.78 3i01 s MET 342 N 0.09 1.03 2.87 4.30 0.23 -0.82 -1.51 119.30 125.49 3i01 s MET 342 Ca -0.04 -1.20 0.00 0.00 -1.03 0.00 0.00 55.69 53.42 3i01 s MET 342 Cb -0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 34.83 32.16 3i01 s MET 342 CO 0.04 0.20 0.00 0.41 -2.03 0.00 0.00 175.02 173.64 3i01 n GLY 343 N 0.70 -0.42 2.48 3.16 0.00 -1.25 -0.97 105.19 108.90 3i01 n GLY 343 Ca -0.17 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 3i01 n GLY 343 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i01 n GLY 344 N 0.00 -0.50 2.33 -0.02 0.00 0.01 -1.02 105.19 105.98 3i01 n GLY 344 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.87 -4.03 -0.03 1.61 3.02 -1.26 -4.87 115.26 107.82 3i01 n ASN 345 Ca -0.16 0.03 -0.19 0.00 -0.03 0.00 0.00 54.58 54.23 3i01 n ASN 345 Cb 0.62 -1.65 -0.13 0.00 -0.61 0.00 0.00 39.78 38.01 3i01 n ASN 345 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3i01 h ARG 346 N 0.53 0.13 -4.28 3.52 -0.00 -1.45 -3.49 114.38 109.35 3i01 h ARG 346 Ca -0.03 -0.23 -0.18 0.00 -0.50 0.00 0.00 59.98 59.05 3i01 h ARG 346 Cb 0.38 0.08 -0.13 0.00 0.00 0.00 0.00 29.97 30.30 3i01 h ARG 346 CO 0.04 1.11 -0.48 0.95 0.00 0.00 0.00 179.97 181.59 3i01 s THR 347 N -2.38 0.02 0.34 2.04 -4.23 -1.21 -4.96 115.64 105.26 3i01 s THR 347 Ca -0.21 -1.79 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 3i01 s THR 347 Cb 0.02 -2.29 -0.10 0.00 1.34 0.00 0.00 72.50 71.48 3i01 s THR 347 CO 0.72 -0.11 0.94 -2.84 -0.54 0.00 0.00 174.62 172.79 3i01 s PRO 348 N -4.09 4.53 -0.09 3.99 0.02 -1.26 -3.76 135.00 134.33 3i01 s PRO 348 Ca 0.31 1.29 -0.18 0.00 0.02 0.00 0.00 61.00 62.44 3i01 s PRO 348 Cb 0.05 -2.70 0.04 0.00 0.02 0.00 0.00 34.50 31.91 3i01 s PRO 348 CO 0.08 0.23 0.44 0.00 -0.33 0.00 0.00 177.00 177.42 3i01 s ALA 349 N -1.71 -1.10 0.04 -1.55 0.00 -1.26 -1.46 121.76 114.72 3i01 s ALA 349 Ca 0.52 0.94 -0.09 0.00 0.00 0.00 0.00 51.96 53.33 3i01 s ALA 349 Cb -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3i01 s ALA 349 CO 0.22 -0.26 0.19 -0.59 0.00 0.00 0.00 175.76 175.32 3i01 s PHE 350 N -0.56 0.06 0.05 0.00 -0.12 0.29 -4.23 117.98 113.47 3i01 s PHE 350 Ca -0.07 -0.27 0.08 0.00 -0.05 0.00 0.00 56.93 56.62 3i01 s PHE 350 Cb -0.03 -0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 3i01 s PHE 350 CO 0.03 -0.42 -0.22 -1.83 -0.05 0.00 0.00 175.22 172.74 3i01 s GLU 351 N -2.48 1.42 -0.17 1.99 -1.05 -0.71 -0.69 118.70 117.01 3i01 s GLU 351 Ca -0.06 -0.99 -0.10 0.00 -0.15 0.00 0.00 54.97 53.67 3i01 s GLU 351 Cb -0.02 -1.56 0.06 0.00 -0.44 0.00 0.00 34.13 32.17 3i01 s GLU 351 CO -0.03 0.40 0.42 -1.17 0.95 0.00 0.00 175.26 175.83 3i01 s LEU 352 N -1.26 -0.09 -0.12 1.83 2.96 0.10 -4.59 118.68 117.50 3i01 s LEU 352 Ca 0.08 0.92 -0.06 0.00 -0.22 0.00 0.00 54.13 54.85 3i01 s LEU 352 Cb -0.09 1.41 -0.04 0.00 0.50 0.00 0.00 46.19 47.97 3i01 s LEU 352 CO 0.02 -0.19 0.10 -0.69 -1.32 0.00 0.00 176.35 174.27 3i01 s VAL 353 N 1.30 5.14 -0.01 1.68 1.01 -1.26 -0.04 120.40 128.22 3i01 s VAL 353 Ca -0.09 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 3i01 s VAL 353 Cb -0.08 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.08 3i01 s VAL 353 CO -0.12 0.59 0.16 0.00 0.00 0.00 0.00 175.10 175.73 3i01 s ARG 354 N -0.80 0.44 0.21 2.72 1.04 -0.61 -4.88 118.95 117.07 3i01 s ARG 354 Ca 0.13 -0.26 -0.30 0.00 -1.04 0.00 0.00 55.73 54.26 3i01 s ARG 354 Cb -0.12 0.19 -0.08 0.00 -2.04 0.00 0.00 34.95 32.90 3i01 s ARG 354 CO 0.03 -0.10 1.18 0.99 -0.04 0.00 0.00 175.30 177.36 3i01 s THR 355 N -1.10 3.53 0.26 4.99 2.01 -1.26 -0.83 115.64 123.23 3i01 s THR 355 Ca -0.12 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.29 3i01 s THR 355 Cb -0.06 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 3i01 s THR 355 CO 0.01 0.23 -0.10 0.68 -0.69 0.00 0.00 174.62 174.76 3i01 s VAL 356 N -0.28 1.76 0.66 3.82 -7.23 -0.20 -4.84 120.40 114.09 3i01 s VAL 356 Ca 0.51 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 3i01 s VAL 356 Cb -0.33 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 3i01 s VAL 356 CO 0.38 -0.40 1.06 -0.94 -0.31 0.00 0.00 175.10 174.89 3i01 s SER 357 N -3.41 5.73 0.35 4.85 1.04 -1.26 -4.45 113.70 116.54 3i01 s SER 357 Ca 0.27 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.93 3i01 s SER 357 Cb 0.02 -2.10 0.65 0.00 0.10 0.00 0.00 66.02 64.69 3i01 s SER 357 CO 0.11 -1.15 1.99 -0.08 0.98 0.00 0.00 173.24 175.08 3i01 h GLU 358 N -0.49 0.83 0.00 4.02 4.81 -1.95 -1.68 114.58 120.11 3i01 h GLU 358 Ca -0.45 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 3i01 h GLU 358 Cb 1.23 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3i01 h GLU 358 CO 0.63 0.55 -0.12 0.66 -0.73 0.00 0.00 179.01 180.00 3i01 h SER 359 N 0.85 0.00 -0.10 1.04 4.64 -2.04 -3.09 113.55 114.85 3i01 h SER 359 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3i01 h SER 359 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3i01 h SER 359 CO -0.07 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 175.39 3i01 n GLU 360 N -3.27 2.35 -4.90 4.77 1.02 -0.64 -4.95 120.64 115.02 3i01 n GLU 360 Ca 0.00 -1.97 -0.33 0.00 -0.02 0.00 0.00 57.16 54.84 3i01 n GLU 360 Cb 0.36 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.91 2.87 -0.30 -3.67 2.07 -1.17 -4.96 121.20 114.13 3i01 s ILE 361 Ca 0.30 -0.75 -0.09 0.00 -1.41 0.00 0.00 60.65 58.70 3i01 s ILE 361 Cb 0.21 -2.16 -0.01 0.00 0.13 0.00 0.00 42.46 40.63 3i01 s ILE 361 CO 0.30 0.55 0.14 -0.89 -1.91 0.00 0.00 174.94 173.13 3i01 s THR 362 N 0.01 4.50 0.07 4.00 2.01 -1.26 -4.98 115.64 119.99 3i01 s THR 362 Ca -0.05 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 3i01 s THR 362 Cb -0.14 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 3i01 s THR 362 CO 0.04 0.09 1.68 -0.62 -0.69 0.00 0.00 174.62 175.12 3i01 s ASP 363 N 1.60 6.58 0.00 3.53 2.15 -1.26 -1.78 116.67 127.49 3i01 s ASP 363 Ca 0.04 2.51 0.00 0.00 0.43 0.00 0.00 52.55 55.53 3i01 s ASP 363 Cb -0.17 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3i01 s ASP 363 CO 0.06 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 3i01 n GLY 364 N 4.03 1.44 3.69 2.66 0.00 -0.18 -4.95 105.19 111.89 3i01 n GLY 364 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.47 4.26 -0.00 1.61 2.20 -0.74 -4.91 119.74 121.69 3i01 s LYS 365 Ca 0.00 2.07 0.04 0.00 -0.36 0.00 0.00 55.97 57.72 3i01 s LYS 365 Cb 0.00 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 3i01 s LYS 365 CO 0.00 -0.61 -0.12 0.42 -0.36 0.00 0.00 175.35 174.68 3i01 s ILE 366 N 2.41 0.92 -0.02 5.43 1.01 -1.26 -0.14 121.20 129.55 3i01 s ILE 366 Ca 0.67 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 3i01 s ILE 366 Cb -0.34 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.36 3i01 s ILE 366 CO 0.28 0.22 0.09 -1.83 0.00 0.00 0.00 174.94 173.70 3i01 s GLU 367 N -0.38 0.20 -0.26 2.79 -1.05 -0.69 -4.97 118.70 114.35 3i01 s GLU 367 Ca 0.04 -0.05 -0.08 0.00 -0.15 0.00 0.00 54.97 54.73 3i01 s GLU 367 Cb -0.05 0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.70 3i01 s GLU 367 CO -0.00 -0.04 0.09 0.08 0.95 0.00 0.00 175.26 176.35 3i01 s VAL 368 N -0.38 4.43 -0.49 1.83 1.01 -1.26 -1.36 120.40 124.19 3i01 s VAL 368 Ca -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 3i01 s VAL 368 Cb -0.03 -3.12 0.13 0.00 0.00 0.00 0.00 36.38 33.36 3i01 s VAL 368 CO 0.00 0.27 0.32 -0.63 0.00 0.00 0.00 175.10 175.07 3i01 s ILE 369 N 1.62 3.83 -2.16 2.22 -1.09 -0.56 -4.96 121.20 120.11 3i01 s ILE 369 Ca 0.06 -2.10 0.00 0.00 -2.23 0.00 0.00 60.65 56.38 3i01 s ILE 369 Cb -0.16 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 3i01 s ILE 369 CO 0.05 -0.77 0.00 0.61 -1.23 0.00 0.00 174.94 173.60 3i01 n GLY 370 N 4.53 0.58 3.77 6.18 0.00 -1.26 -0.85 105.19 118.13 3i01 n GLY 370 Ca -0.02 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 3i01 n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i01 s PRO 371 N -0.86 3.44 0.59 1.61 0.04 -1.26 -4.91 135.00 133.65 3i01 s PRO 371 Ca 0.00 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.85 3i01 s PRO 371 Cb 0.00 -2.15 0.09 0.00 0.04 0.00 0.00 34.50 32.48 3i01 s PRO 371 CO 0.00 -0.80 0.82 0.34 0.04 0.00 0.00 177.00 177.40 3i01 s ASP 372 N -1.56 4.99 0.20 6.66 -1.08 -1.26 -4.78 116.67 119.85 3i01 s ASP 372 Ca 0.70 -0.78 -0.13 0.00 -0.52 0.00 0.00 52.55 51.82 3i01 s ASP 372 Cb -0.27 0.26 0.23 0.00 -1.46 0.00 0.00 42.92 41.67 3i01 s ASP 372 CO 0.32 -1.42 1.64 0.40 0.52 0.00 0.00 175.17 176.63 3i01 h ILE 373 N 0.08 0.43 -0.26 4.11 5.03 -1.96 -2.21 117.51 122.73 3i01 h ILE 373 Ca -0.31 -0.01 -0.12 0.00 -0.12 0.00 0.00 64.86 64.30 3i01 h ILE 373 Cb 1.29 0.40 -0.07 0.00 -3.03 0.00 0.00 36.82 35.41 3i01 h ILE 373 CO 0.41 0.00 0.15 -0.90 -0.68 0.00 0.00 178.15 177.13 3i01 n ASP 374 N -5.37 3.07 -0.39 1.72 5.68 -1.26 -3.16 116.55 116.84 3i01 n ASP 374 Ca 0.07 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.95 3i01 n ASP 374 Cb 0.32 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 3i01 n ASP 374 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i01 n GLN 375 N 0.07 0.00 -4.08 0.11 6.02 -0.83 -5.08 117.38 113.58 3i01 n GLN 375 Ca 0.15 -0.89 -0.14 0.00 -0.01 0.00 0.00 57.00 56.12 3i01 n GLN 375 Cb 0.78 -0.50 -0.11 0.00 1.02 0.00 0.00 30.24 31.43 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 0.62 0.05 5.09 -4.36 -1.19 -4.81 121.20 116.60 3i01 s ILE 376 Ca 0.00 -1.11 -0.36 0.00 -0.26 0.00 0.00 60.65 58.92 3i01 s ILE 376 Cb 0.00 -0.67 -0.15 0.00 1.25 0.00 0.00 42.46 42.89 3i01 s ILE 376 CO 0.00 -0.36 1.51 -0.81 0.24 0.00 0.00 174.94 175.52 3i01 n PRO 377 N 1.44 1.55 -1.67 0.37 -0.04 -1.26 -4.93 135.00 130.46 3i01 n PRO 377 Ca -0.23 0.56 -0.44 0.00 -0.04 0.00 0.00 63.50 63.36 3i01 n PRO 377 Cb 0.55 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 3i01 n PRO 377 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i01 n GLU 378 N 3.52 1.94 -0.71 0.54 2.13 -1.26 -2.73 120.64 124.07 3i01 n GLU 378 Ca 0.19 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.70 3i01 n GLU 378 Cb 0.22 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.66 3i01 n GLU 378 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i01 n GLY 379 N 1.48 0.58 3.94 8.31 0.00 0.11 -5.04 105.19 114.56 3i01 n GLY 379 Ca 0.09 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.54 5.75 0.16 1.61 1.04 -0.89 -4.93 113.70 113.91 3i01 s SER 380 Ca 0.00 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.18 3i01 s SER 380 Cb 0.00 -1.19 -0.03 0.00 0.10 0.00 0.00 66.02 64.89 3i01 s SER 380 CO 0.00 -0.37 0.28 -0.54 0.98 0.00 0.00 173.24 173.60 3i01 s LYS 381 N -4.09 3.40 -0.18 4.02 -0.14 -1.26 -2.35 119.74 119.14 3i01 s LYS 381 Ca 0.42 -0.64 -0.24 0.00 -1.36 0.00 0.00 55.97 54.15 3i01 s LYS 381 Cb -0.08 -2.93 0.06 0.00 -1.68 0.00 0.00 37.83 33.20 3i01 s LYS 381 CO 0.29 0.50 0.64 -1.17 -0.76 0.00 0.00 175.35 174.86 3i01 s LEU 382 N -3.34 -0.46 0.66 3.17 2.96 -0.57 -4.93 118.68 116.18 3i01 s LEU 382 Ca 0.34 1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 55.24 3i01 s LEU 382 Cb -0.11 2.25 -0.02 0.00 0.50 0.00 0.00 46.19 48.82 3i01 s LEU 382 CO 0.28 -0.33 1.06 -2.16 -1.32 0.00 0.00 176.35 173.88 3i01 s PRO 383 N -0.12 3.28 -0.16 0.98 0.04 -1.26 -4.11 135.00 133.64 3i01 s PRO 383 Ca -0.03 0.62 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 3i01 s PRO 383 Cb -0.03 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.50 3i01 s PRO 383 CO 0.03 -0.77 0.51 -1.17 0.04 0.00 0.00 177.00 175.64 3i01 s LEU 384 N -5.26 0.05 -0.06 -3.56 2.96 -0.53 -4.39 118.68 107.88 3i01 s LEU 384 Ca 0.56 0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 55.38 3i01 s LEU 384 Cb -0.11 1.79 0.03 0.00 0.50 0.00 0.00 46.19 48.40 3i01 s LEU 384 CO 0.53 -0.25 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.47 3i01 s GLY 385 N -0.03 0.46 -0.26 7.98 0.00 0.27 -0.55 107.32 115.18 3i01 s GLY 385 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.54 3i01 s GLY 385 CO 0.02 0.87 0.04 -0.42 0.00 0.00 0.00 173.10 173.61 3i01 s ILE 386 N 1.56 3.84 -0.15 0.90 1.01 0.14 -0.84 121.20 127.66 3i01 s ILE 386 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3i01 s ILE 386 Cb -0.13 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.50 3i01 s ILE 386 CO -0.03 0.24 -0.10 -0.22 0.00 0.00 0.00 174.94 174.82 3i01 s LEU 387 N 1.51 1.65 -0.24 2.97 2.96 -0.57 0.01 118.68 126.98 3i01 s LEU 387 Ca 0.04 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3i01 s LEU 387 Cb -0.16 -1.05 0.05 0.00 0.50 0.00 0.00 46.19 45.53 3i01 s LEU 387 CO 0.01 -0.11 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.10 3i01 s VAL 388 N 1.56 2.20 -0.15 1.68 1.01 0.94 -0.20 120.40 127.44 3i01 s VAL 388 Ca 0.03 -1.39 -0.08 0.00 0.00 0.00 0.00 61.98 60.54 3i01 s VAL 388 Cb -0.14 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3i01 s VAL 388 CO -0.09 0.15 0.13 -1.81 0.00 0.00 0.00 175.10 173.48 3i01 s ASP 389 N 1.17 6.24 -0.05 3.32 -0.00 0.09 -1.58 116.67 125.86 3i01 s ASP 389 Ca -0.04 0.36 0.04 0.00 -0.00 0.00 0.00 52.55 52.91 3i01 s ASP 389 Cb -0.18 -2.04 -0.00 0.00 -0.00 0.00 0.00 42.92 40.70 3i01 s ASP 389 CO -0.07 0.32 -0.17 -0.63 -0.00 0.00 0.00 175.17 174.62 3i01 s ILE 390 N -0.51 1.47 -0.04 0.77 -1.09 -0.01 -1.45 121.20 120.34 3i01 s ILE 390 Ca 0.12 -0.73 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 3i01 s ILE 390 Cb -0.12 -1.27 -0.00 0.00 -1.58 0.00 0.00 42.46 39.50 3i01 s ILE 390 CO 0.02 0.42 -0.14 -0.47 -1.23 0.00 0.00 174.94 173.54 3i01 s TYR 391 N 0.09 1.45 0.05 3.97 5.04 -0.36 -1.03 117.35 126.56 3i01 s TYR 391 Ca -0.05 -0.40 -0.27 0.00 -2.44 0.00 0.00 57.07 53.91 3i01 s TYR 391 Cb -0.12 -0.99 0.09 0.00 0.35 0.00 0.00 41.96 41.28 3i01 s TYR 391 CO 0.03 -0.14 0.76 0.20 -1.34 0.00 0.00 175.55 175.06 3i01 s GLY 392 N 0.09 -0.52 0.00 8.97 0.00 -1.24 -0.20 107.32 114.42 3i01 s GLY 392 Ca -0.04 0.88 0.13 0.00 0.00 0.00 0.00 44.72 45.69 3i01 s GLY 392 CO 0.02 0.35 1.19 -0.96 0.00 0.00 0.00 173.10 173.70 3i01 n ARG 393 N -0.16 0.55 0.00 2.90 1.85 -1.12 -2.30 116.66 118.38 3i01 n ARG 393 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 3i01 n ARG 393 Cb 0.62 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.68 3i01 n ARG 393 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3i01 n LYS 394 N -0.86 0.37 -2.05 2.89 5.02 -1.08 -4.99 118.16 117.47 3i01 n LYS 394 Ca 0.09 -0.53 -0.36 0.00 -2.02 0.00 0.00 58.31 55.49 3i01 n LYS 394 Cb 0.04 -0.70 0.03 0.00 -0.02 0.00 0.00 35.03 34.38 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 -0.19 3.09 -0.01 1.97 1.75 -0.97 -4.75 119.30 120.18 3i01 s MET 395 Ca 0.00 1.82 -0.16 0.00 -1.25 0.00 0.00 55.69 56.10 3i01 s MET 395 Cb 0.00 -1.99 0.03 0.00 2.84 0.00 0.00 34.83 35.71 3i01 s MET 395 CO 0.00 -1.11 0.35 -0.65 -0.65 0.00 0.00 175.02 172.96 3i01 s GLN 396 N -3.25 0.72 0.37 4.11 -0.21 -1.26 -4.97 119.66 115.16 3i01 s GLN 396 Ca 0.76 -0.17 0.13 0.00 0.02 0.00 0.00 55.36 56.10 3i01 s GLN 396 Cb -0.30 0.32 0.94 0.00 1.00 0.00 0.00 33.01 34.97 3i01 s GLN 396 CO 0.33 -0.20 1.82 0.00 -2.12 0.00 0.00 175.29 175.12 3i01 h ALA 397 N 3.74 1.99 0.00 6.09 0.00 -2.00 -1.52 119.26 127.56 3i01 h ALA 397 Ca -0.29 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 397 Cb 1.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i01 h ALA 397 CO 0.40 -0.31 -0.05 -0.44 0.00 0.00 0.00 179.25 178.86 3i01 h ASP 398 N 0.56 0.00 0.08 0.00 3.45 -2.01 -2.45 116.42 116.05 3i01 h ASP 398 Ca 0.52 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.98 3i01 h ASP 398 Cb 1.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3i01 h ASP 398 CO -0.26 0.05 -0.10 0.49 -1.57 0.00 0.00 179.24 177.85 3i01 n PHE 399 N -3.60 0.00 0.32 4.55 0.99 -0.57 -4.33 117.46 114.81 3i01 n PHE 399 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.26 3i01 n PHE 399 Cb 0.15 -0.05 -0.09 0.00 -1.00 0.00 0.00 39.48 38.50 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 2.03 -0.73 -0.02 -1.08 5.08 -1.46 -1.59 114.58 116.80 3i01 h GLU 400 Ca 0.00 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3i01 h GLU 400 Cb 0.53 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3i01 h GLU 400 CO 0.00 -0.48 -0.33 0.78 -1.00 0.00 0.00 179.01 177.97 3i01 h GLY 401 N -0.78 0.03 0.91 -3.84 0.00 -1.79 -0.83 103.07 96.77 3i01 h GLY 401 Ca -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3i01 h GLY 401 CO 0.13 0.02 -0.15 -2.08 0.00 0.00 0.00 176.54 174.47 3i01 h VAL 402 N 0.03 0.69 -0.51 4.60 2.07 -1.73 -1.25 116.25 120.14 3i01 h VAL 402 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3i01 h VAL 402 Cb 0.61 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3i01 h VAL 402 CO 0.04 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.86 3i01 h LEU 403 N -0.36 0.46 -1.02 2.57 3.38 -1.11 -3.13 115.31 116.09 3i01 h LEU 403 Ca -0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3i01 h LEU 403 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3i01 h LEU 403 CO 0.01 0.32 -0.20 -0.08 0.09 0.00 0.00 178.44 178.58 3i01 h GLU 404 N 0.58 0.46 -0.74 1.13 4.81 -0.93 -2.26 114.58 117.63 3i01 h GLU 404 Ca 0.21 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3i01 h GLU 404 Cb 0.06 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3i01 h GLU 404 CO -0.11 0.64 0.49 -0.09 -0.73 0.00 0.00 179.01 179.21 3i01 h ARG 405 N 0.42 0.86 0.00 1.92 2.43 -1.17 -2.30 114.38 116.54 3i01 h ARG 405 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i01 h ARG 405 Cb 0.59 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3i01 h ARG 405 CO 0.04 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 179.07 3i01 h ARG 406 N 0.89 0.00 -1.00 0.20 2.47 -1.49 -2.81 114.38 112.64 3i01 h ARG 406 Ca 0.30 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 59.16 3i01 h ARG 406 Cb 0.08 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.31 3i01 h ARG 406 CO -0.09 0.00 0.63 0.82 0.56 0.00 0.00 179.97 181.89 3i01 h ILE 407 N 0.00 0.85 -0.19 2.04 2.04 -1.47 -0.75 117.51 120.03 3i01 h ILE 407 Ca 0.00 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.59 3i01 h ILE 407 Cb 0.39 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 3i01 h ILE 407 CO 0.00 0.17 -0.07 -0.74 0.00 0.00 0.00 178.15 177.51 3i01 h HIS 408 N 0.92 -0.15 -0.06 1.37 2.76 -1.68 -2.01 115.15 116.30 3i01 h HIS 408 Ca 0.52 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 58.48 3i01 h HIS 408 Cb 0.62 0.10 0.01 0.00 1.55 0.00 0.00 27.41 29.69 3i01 h HIS 408 CO -0.00 -0.11 -0.89 -0.44 -1.30 0.00 0.00 177.93 175.19 3i01 h ASP 409 N -0.03 0.77 -0.32 3.26 3.32 -1.58 -2.85 116.42 118.99 3i01 h ASP 409 Ca 0.10 -0.57 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 3i01 h ASP 409 Cb 0.18 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3i01 h ASP 409 CO -0.21 1.36 -0.03 -0.26 -1.72 0.00 0.00 179.24 178.38 3i01 h PHE 410 N 0.39 0.73 -0.03 4.55 0.04 -1.01 -1.77 116.94 119.85 3i01 h PHE 410 Ca -0.08 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 3i01 h PHE 410 Cb 1.52 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.47 3i01 h PHE 410 CO 0.08 0.71 -0.09 0.82 -0.60 0.00 0.00 178.31 179.23 3i01 h ILE 411 N 0.65 1.48 0.00 -0.55 2.04 -1.40 -3.35 117.51 116.38 3i01 h ILE 411 Ca 0.13 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 3i01 h ILE 411 Cb 0.45 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3i01 h ILE 411 CO 0.02 0.42 -0.10 0.78 0.00 0.00 0.00 178.15 179.27 3i01 h ASN 412 N -0.48 0.00 0.00 1.72 2.35 -1.24 -1.03 115.58 116.90 3i01 h ASN 412 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i01 h ASN 412 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3i01 h ASN 412 CO 0.02 0.10 0.05 -1.22 -1.65 0.00 0.00 177.43 174.73 3i01 n TYR 413 N -4.23 0.32 -2.88 1.19 0.53 -0.69 -3.17 117.16 108.23 3i01 n TYR 413 Ca -0.03 0.17 -0.40 0.00 -1.02 0.00 0.00 57.90 56.62 3i01 n TYR 413 Cb 0.18 -0.73 -0.05 0.00 -1.03 0.00 0.00 39.34 37.71 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 -3.18 2.86 -0.37 2.72 0.00 -0.39 -0.75 107.32 108.21 3i01 s GLY 414 Ca -0.01 0.39 -0.28 0.00 0.00 0.00 0.00 44.72 44.82 3i01 s GLY 414 CO 0.09 1.27 1.83 1.85 0.00 0.00 0.00 173.10 178.14 3i01 s GLU 415 N 0.13 3.20 0.00 2.90 2.12 0.27 -1.94 118.70 125.37 3i01 s GLU 415 Ca 0.42 1.32 0.00 0.00 0.36 0.00 0.00 54.97 57.08 3i01 s GLU 415 Cb -0.21 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 29.94 3i01 s GLU 415 CO 0.25 -2.03 0.00 0.41 -0.54 0.00 0.00 175.26 173.36 3i01 n GLY 416 N 5.48 0.35 3.59 -1.50 0.00 -1.26 -4.65 105.19 107.20 3i01 n GLY 416 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 3.80 0.08 0.99 1.43 -0.82 -1.39 118.68 122.78 3i01 s LEU 417 Ca 0.00 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 3i01 s LEU 417 Cb 0.00 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3i01 s LEU 417 CO 0.00 0.08 -0.21 0.86 0.23 0.00 0.00 176.35 177.31 3i01 s TRP 418 N 0.93 1.83 -0.23 0.29 -0.00 0.42 -4.28 118.94 117.90 3i01 s TRP 418 Ca 0.05 -0.40 -0.13 0.00 -0.00 0.00 0.00 56.10 55.62 3i01 s TRP 418 Cb -0.14 -1.04 0.07 0.00 -0.00 0.00 0.00 33.47 32.37 3i01 s TRP 418 CO 0.03 0.16 0.57 -1.58 -0.00 0.00 0.00 176.95 176.13 3i01 s HIS 419 N -1.00 -0.88 0.15 5.86 5.65 -1.26 -0.99 115.29 122.82 3i01 s HIS 419 Ca 0.07 1.78 0.02 0.00 0.25 0.00 0.00 55.06 57.18 3i01 s HIS 419 Cb -0.09 0.48 -0.04 0.00 -1.18 0.00 0.00 32.58 31.74 3i01 s HIS 419 CO 0.03 -0.46 -0.03 -0.08 -0.65 0.00 0.00 174.74 173.56 3i01 s THR 420 N 1.62 0.71 0.00 0.89 -1.32 0.59 -4.87 115.64 113.25 3i01 s THR 420 Ca -0.09 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.41 3i01 s THR 420 Cb -0.07 -1.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.97 3i01 s THR 420 CO -0.17 -0.63 0.00 0.61 -2.21 0.00 0.00 174.62 172.22 3i01 n GLY 421 N -0.17 -1.20 3.61 6.08 0.00 -1.26 -0.88 105.19 111.37 3i01 n GLY 421 Ca -0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 3i01 n GLY 421 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i01 s GLN 422 N 0.00 0.61 5.14 1.61 0.00 -1.14 -4.84 119.66 121.05 3i01 s GLN 422 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 55.36 55.07 3i01 s GLN 422 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 33.01 33.25 3i01 s GLN 422 CO 0.00 -0.27 0.00 0.54 0.00 0.00 0.00 175.29 175.56 3i01 n ARG 423 N -0.30 0.00 -0.34 9.60 1.74 -1.26 -0.96 116.66 125.13 3i01 n ARG 423 Ca -0.05 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.10 3i01 n ARG 423 Cb 0.61 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.28 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 7.53 3.61 -2.27 0.55 2.04 -1.26 -1.74 115.26 123.71 3i01 n ASN 424 Ca 0.00 -2.34 -0.27 0.00 -0.44 0.00 0.00 54.58 51.53 3i01 n ASN 424 Cb 0.00 -0.40 0.02 0.00 -2.53 0.00 0.00 39.78 36.87 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 0.47 2.64 -2.96 1.53 5.41 -0.13 -4.62 119.36 121.70 3i01 n ILE 425 Ca 0.18 -4.37 -0.18 0.00 1.00 0.00 0.00 62.75 59.37 3i01 n ILE 425 Cb 0.65 -1.20 0.07 0.00 -0.71 0.00 0.00 39.64 38.45 3i01 n ILE 425 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3i01 n ASN 426 N -0.63 1.81 -3.59 4.38 2.04 -1.18 -2.88 115.26 115.22 3i01 n ASN 426 Ca 0.44 -2.35 -0.01 0.00 -0.44 0.00 0.00 54.58 52.23 3i01 n ASN 426 Cb 0.78 -0.42 -0.06 0.00 -2.53 0.00 0.00 39.78 37.55 3i01 n ASN 426 CO 0.00 0.00 0.00 0.86 -0.44 0.00 0.00 177.26 177.68 3i01 s TRP 427 N -2.38 -0.54 0.05 -2.53 -0.00 -0.06 -0.81 118.94 112.67 3i01 s TRP 427 Ca 0.57 1.04 0.03 0.00 -0.00 0.00 0.00 56.10 57.74 3i01 s TRP 427 Cb -0.04 0.32 -0.02 0.00 -0.00 0.00 0.00 33.47 33.73 3i01 s TRP 427 CO 0.36 -0.27 -0.10 -0.51 -0.00 0.00 0.00 176.95 176.43 3i01 s LEU 428 N 1.55 2.24 0.02 5.86 1.02 -0.15 -0.30 118.68 128.93 3i01 s LEU 428 Ca -0.08 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.55 3i01 s LEU 428 Cb -0.04 -0.33 -0.02 0.00 0.02 0.00 0.00 46.19 45.83 3i01 s LEU 428 CO -0.15 -0.13 -0.06 -0.13 0.02 0.00 0.00 176.35 175.90 3i01 s ARG 429 N -1.53 0.46 -0.05 1.70 0.52 -0.16 -1.94 118.95 117.95 3i01 s ARG 429 Ca -0.06 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 54.71 3i01 s ARG 429 Cb -0.09 -0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.05 3i01 s ARG 429 CO 0.01 0.07 -0.23 0.08 0.02 0.00 0.00 175.30 175.25 3i01 s VAL 430 N -0.85 1.92 0.44 3.52 1.01 -0.74 -0.44 120.40 125.26 3i01 s VAL 430 Ca -0.05 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 3i01 s VAL 430 Cb -0.07 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 3i01 s VAL 430 CO 0.00 0.54 0.92 -0.94 0.00 0.00 0.00 175.10 175.61 3i01 s SER 431 N -0.18 6.78 0.41 3.32 1.04 -0.48 -0.18 113.70 124.42 3i01 s SER 431 Ca -0.02 1.55 0.14 0.00 0.48 0.00 0.00 55.95 58.09 3i01 s SER 431 Cb -0.13 -2.49 0.99 0.00 0.10 0.00 0.00 66.02 64.49 3i01 s SER 431 CO 0.03 -0.41 1.93 0.11 0.98 0.00 0.00 173.24 175.87 3i01 h LYS 432 N 1.60 0.47 -0.28 4.02 1.57 0.12 -2.71 116.57 121.35 3i01 h LYS 432 Ca -0.48 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.12 3i01 h LYS 432 Cb 1.18 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3i01 h LYS 432 CO 0.62 0.31 -0.44 0.22 -0.57 0.00 0.00 179.45 179.59 3i01 h ASP 433 N 0.48 0.87 -0.84 0.86 1.82 -1.93 -1.66 116.42 116.01 3i01 h ASP 433 Ca 0.36 -0.52 0.05 0.00 -0.39 0.00 0.00 57.03 56.53 3i01 h ASP 433 Cb 0.73 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 40.44 3i01 h ASP 433 CO -0.12 1.22 0.55 0.00 -1.61 0.00 0.00 179.24 179.28 3i01 h ALA 434 N 0.67 1.53 -0.55 -0.78 0.00 -1.75 -1.89 119.26 116.49 3i01 h ALA 434 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3i01 h ALA 434 Cb 1.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3i01 h ALA 434 CO 0.10 0.36 -0.04 0.28 0.00 0.00 0.00 179.25 179.95 3i01 h VAL 435 N 0.99 1.27 -0.47 0.00 2.07 -1.35 -0.75 116.25 118.01 3i01 h VAL 435 Ca 0.35 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 3i01 h VAL 435 Cb 0.13 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3i01 h VAL 435 CO -0.12 0.42 0.15 0.00 0.02 0.00 0.00 177.57 178.04 3i01 h ALA 436 N 0.95 1.39 0.00 1.67 0.00 -0.93 -1.96 119.26 120.37 3i01 h ALA 436 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i01 h ALA 436 Cb 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i01 h ALA 436 CO 0.04 0.45 0.00 0.87 0.00 0.00 0.00 179.25 180.61 3i01 h LYS 437 N 0.67 0.00 0.00 0.00 1.57 -1.06 -3.46 116.57 114.30 3i01 h LYS 437 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3i01 h LYS 437 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3i01 h LYS 437 CO -0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 3i01 n GLY 438 N 0.21 1.71 3.68 3.86 0.00 -0.74 -4.83 105.19 109.08 3i01 n GLY 438 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3i01 n GLY 438 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i01 n PHE 439 N -0.17 2.48 -4.28 1.61 7.35 -0.32 -4.91 117.46 119.21 3i01 n PHE 439 Ca 0.00 0.01 -0.22 0.00 -0.76 0.00 0.00 57.45 56.47 3i01 n PHE 439 Cb 0.00 -2.66 -0.12 0.00 0.35 0.00 0.00 39.48 37.05 3i01 n PHE 439 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3i01 s ARG 440 N 2.36 1.13 0.52 -4.13 1.81 -1.26 -4.70 118.95 114.67 3i01 s ARG 440 Ca 0.83 -1.22 0.28 0.00 -1.72 0.00 0.00 55.73 53.89 3i01 s ARG 440 Cb -0.58 -1.28 1.40 0.00 -0.45 0.00 0.00 34.95 34.05 3i01 s ARG 440 CO 0.40 0.28 1.93 0.74 -0.68 0.00 0.00 175.30 177.96 3i01 h PHE 441 N 3.81 0.07 -1.16 -0.53 0.05 -1.96 0.54 116.94 117.75 3i01 h PHE 441 Ca -0.44 0.00 0.40 0.00 3.82 0.00 0.00 57.97 61.75 3i01 h PHE 441 Cb 1.19 -0.02 -0.14 0.00 2.00 0.00 0.00 35.95 38.98 3i01 h PHE 441 CO 0.64 0.02 0.71 -0.22 -0.18 0.00 0.00 178.31 179.28 3i01 h LYS 442 N 0.05 0.13 -0.26 1.51 3.64 -1.96 -2.70 116.57 116.99 3i01 h LYS 442 Ca 0.36 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.59 3i01 h LYS 442 Cb 1.38 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3i01 h LYS 442 CO -0.02 0.09 -0.44 -0.91 -2.27 0.00 0.00 179.45 175.90 3i01 h ASN 443 N 0.14 0.69 -0.94 4.20 -0.26 -0.31 -0.13 115.58 118.97 3i01 h ASN 443 Ca 0.80 -0.32 0.19 0.00 -0.56 0.00 0.00 56.30 56.40 3i01 h ASN 443 Cb 2.24 -0.19 -0.18 0.00 -1.06 0.00 0.00 38.32 39.13 3i01 h ASN 443 CO -0.54 1.03 -0.23 1.88 -1.06 0.00 0.00 177.43 178.51 3i01 h TYR 444 N 0.52 -0.50 0.06 1.19 0.05 -1.63 -0.17 116.97 116.49 3i01 h TYR 444 Ca 0.04 0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3i01 h TYR 444 Cb 0.97 0.37 -0.01 0.00 1.01 0.00 0.00 36.73 39.07 3i01 h TYR 444 CO 0.04 -0.40 -0.07 0.78 -1.05 0.00 0.00 178.16 177.46 3i01 h GLY 445 N -0.00 -0.13 0.87 3.88 0.00 -1.12 -2.58 103.07 103.98 3i01 h GLY 445 Ca 0.45 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.90 3i01 h GLY 445 CO -0.97 -0.08 0.57 0.83 0.00 0.00 0.00 176.54 176.89 3i01 h GLU 446 N -0.16 1.07 0.44 4.80 5.08 -0.35 -0.51 114.58 124.95 3i01 h GLU 446 Ca 0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3i01 h GLU 446 Cb 0.16 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3i01 h GLU 446 CO -0.03 0.71 -0.24 0.82 -1.00 0.00 0.00 179.01 179.27 3i01 h ILE 447 N 1.10 0.50 -0.58 3.13 2.04 -1.07 -2.18 117.51 120.45 3i01 h ILE 447 Ca 0.35 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.23 3i01 h ILE 447 Cb 0.01 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3i01 h ILE 447 CO -0.12 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.33 3i01 h LEU 448 N -0.64 0.64 0.24 1.44 4.07 -1.08 0.18 115.31 120.15 3i01 h LEU 448 Ca -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 3i01 h LEU 448 Cb 0.51 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3i01 h LEU 448 CO 0.07 0.46 -0.11 0.58 -1.08 0.00 0.00 178.44 178.35 3i01 h VAL 449 N 0.76 0.81 -0.62 1.22 2.07 -1.12 -0.95 116.25 118.42 3i01 h VAL 449 Ca 0.22 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3i01 h VAL 449 Cb -0.06 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3i01 h VAL 449 CO -0.06 0.06 0.23 0.00 0.02 0.00 0.00 177.57 177.82 3i01 h ALA 450 N 0.27 0.81 0.12 1.67 0.00 -1.03 -2.50 119.26 118.59 3i01 h ALA 450 Ca -0.03 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 3i01 h ALA 450 Cb 0.35 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i01 h ALA 450 CO 0.05 0.44 -0.96 0.87 0.00 0.00 0.00 179.25 179.65 3i01 h LYS 451 N 0.87 0.44 -0.53 0.00 1.79 -0.63 -1.81 116.57 116.70 3i01 h LYS 451 Ca 0.21 -0.63 0.10 0.00 -2.18 0.00 0.00 60.65 58.14 3i01 h LYS 451 Cb 0.23 0.22 -0.11 0.00 -1.58 0.00 0.00 32.23 30.99 3i01 h LYS 451 CO -0.01 1.28 -0.26 0.52 -1.08 0.00 0.00 179.45 179.89 3i01 h MET 452 N -0.08 -0.12 -0.75 3.15 2.86 -1.24 0.34 114.93 119.08 3i01 h MET 452 Ca -0.15 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3i01 h MET 452 Cb 1.71 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 33.36 3i01 h MET 452 CO 0.18 -0.08 0.39 0.87 1.06 0.00 0.00 176.91 179.33 3i01 h LYS 453 N -0.13 1.06 -0.00 1.72 1.57 -1.43 -0.54 116.57 118.82 3i01 h LYS 453 Ca 0.24 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3i01 h LYS 453 Cb 0.51 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3i01 h LYS 453 CO -0.61 0.79 -0.01 1.49 -0.57 0.00 0.00 179.45 180.54 3i01 h GLU 454 N 1.06 0.01 -0.12 3.15 4.81 -0.91 -3.22 114.58 119.35 3i01 h GLU 454 Ca 0.26 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 3i01 h GLU 454 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3i01 h GLU 454 CO -0.04 0.58 -0.64 0.93 -0.73 0.00 0.00 179.01 179.11 3i01 h GLU 455 N -0.56 0.45 -2.16 1.92 4.39 -0.27 -3.38 114.58 114.96 3i01 h GLU 455 Ca 0.00 -0.32 -0.58 0.00 0.34 0.00 0.00 59.36 58.80 3i01 h GLU 455 Cb 0.58 0.05 -0.41 0.00 -0.10 0.00 0.00 28.75 28.87 3i01 h GLU 455 CO 0.00 0.94 -0.74 1.19 -1.16 0.00 0.00 179.01 179.24 3i01 n PHE 456 N -3.89 2.75 -2.12 4.33 3.01 -0.22 -5.09 117.46 116.23 3i01 n PHE 456 Ca -0.04 -3.99 -0.38 0.00 1.01 0.00 0.00 57.45 54.05 3i01 n PHE 456 Cb 0.65 -0.50 -0.00 0.00 -0.01 0.00 0.00 39.48 39.63 3i01 n PHE 456 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3i01 s PRO 457 N -2.44 3.77 0.00 -1.08 0.02 -1.22 -0.96 135.00 133.09 3i01 s PRO 457 Ca 0.41 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3i01 s PRO 457 Cb 0.19 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 32.18 3i01 s PRO 457 CO -0.06 -0.60 0.00 0.00 -0.33 0.00 0.00 177.00 176.01 3i01 n ALA 458 N -0.29 0.00 0.03 -1.55 0.00 -1.26 -4.51 120.51 112.93 3i01 n ALA 458 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i01 n ALA 458 Cb 0.46 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.20 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 1.21 -3.82 0.00 2.04 -1.84 -2.82 117.51 112.27 3i01 h ILE 459 Ca 0.00 -0.92 -0.67 0.00 1.00 0.00 0.00 64.86 64.27 3i01 h ILE 459 Cb 0.00 1.12 -0.36 0.00 -0.74 0.00 0.00 36.82 36.84 3i01 h ILE 459 CO 0.00 0.30 -0.76 -0.69 0.00 0.00 0.00 178.15 177.00 3i01 s VAL 460 N -4.78 2.44 -0.06 1.67 1.01 -0.13 -3.47 120.40 117.08 3i01 s VAL 460 Ca -0.07 -1.61 0.22 0.00 0.00 0.00 0.00 61.98 60.52 3i01 s VAL 460 Cb 0.15 -2.45 -0.32 0.00 0.00 0.00 0.00 36.38 33.76 3i01 s VAL 460 CO 0.76 -0.10 0.52 0.47 0.00 0.00 0.00 175.10 176.76 3i01 n ASP 461 N 4.48 0.06 -3.69 3.32 8.00 0.72 -4.54 116.55 124.90 3i01 n ASP 461 Ca -0.13 -0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.23 3i01 n ASP 461 Cb 0.42 1.90 -0.09 0.00 -0.02 0.00 0.00 41.12 43.34 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 -3.50 0.68 0.01 -1.24 0.52 0.14 -4.99 118.95 110.57 3i01 s ARG 462 Ca -0.07 0.43 -0.10 0.00 -0.52 0.00 0.00 55.73 55.47 3i01 s ARG 462 Cb 0.14 0.32 0.01 0.00 0.52 0.00 0.00 34.95 35.94 3i01 s ARG 462 CO 0.90 -0.14 0.21 0.08 0.02 0.00 0.00 175.30 176.37 3i01 s VAL 463 N -0.31 0.08 -0.05 3.52 1.01 -1.26 -1.23 120.40 122.16 3i01 s VAL 463 Ca -0.05 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3i01 s VAL 463 Cb -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3i01 s VAL 463 CO 0.03 -0.38 0.28 -1.58 0.00 0.00 0.00 175.10 173.45 3i01 s GLN 464 N -1.73 0.52 -0.02 2.72 0.74 -0.53 -1.01 119.66 120.35 3i01 s GLN 464 Ca -0.12 -0.00 0.02 0.00 0.05 0.00 0.00 55.36 55.31 3i01 s GLN 464 Cb -0.05 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.30 3i01 s GLN 464 CO 0.01 -0.12 -0.05 0.08 -0.55 0.00 0.00 175.29 174.65 3i01 s VAL 465 N -0.78 0.49 -0.10 1.34 1.01 0.80 -0.73 120.40 122.42 3i01 s VAL 465 Ca -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3i01 s VAL 465 Cb -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.90 3i01 s VAL 465 CO 0.02 0.16 -0.12 -0.89 0.00 0.00 0.00 175.10 174.27 3i01 s THR 466 N 0.20 1.27 -0.39 3.92 2.01 0.72 -1.70 115.64 121.67 3i01 s THR 466 Ca -0.02 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.39 3i01 s THR 466 Cb -0.06 -1.19 0.06 0.00 0.01 0.00 0.00 72.50 71.31 3i01 s THR 466 CO -0.00 0.40 0.21 -0.63 -0.69 0.00 0.00 174.62 173.91 3i01 s ILE 467 N 1.10 4.16 -0.14 1.82 1.09 -0.46 -1.51 121.20 127.25 3i01 s ILE 467 Ca -0.05 -1.27 -0.22 0.00 -1.10 0.00 0.00 60.65 58.01 3i01 s ILE 467 Cb -0.14 -3.47 -0.03 0.00 -1.06 0.00 0.00 42.46 37.75 3i01 s ILE 467 CO -0.02 -0.39 0.65 -0.36 -0.10 0.00 0.00 174.94 174.72 3i01 s PHE 468 N 1.43 3.47 -0.05 3.97 0.40 -0.02 -1.50 117.98 125.69 3i01 s PHE 468 Ca 0.02 1.07 0.03 0.00 -0.60 0.00 0.00 56.93 57.45 3i01 s PHE 468 Cb -0.22 -2.79 -0.05 0.00 0.51 0.00 0.00 43.02 40.48 3i01 s PHE 468 CO 0.03 -0.04 0.09 0.25 0.70 0.00 0.00 175.22 176.25 3i01 n THR 469 N 4.24 0.00 -2.08 0.64 -2.24 -0.03 -0.57 114.28 114.24 3i01 n THR 469 Ca -0.01 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 3i01 n THR 469 Cb 0.50 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 3i01 n THR 469 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i01 s ASP 470 N -2.04 6.73 0.61 3.42 2.15 -1.13 -4.35 116.67 122.07 3i01 s ASP 470 Ca -0.00 2.41 0.39 0.00 0.43 0.00 0.00 52.55 55.77 3i01 s ASP 470 Cb 0.02 -2.58 1.98 0.00 -0.30 0.00 0.00 42.92 42.04 3i01 s ASP 470 CO 0.13 -0.74 2.22 -0.08 -0.17 0.00 0.00 175.17 176.54 3i01 h GLU 471 N 7.07 0.00 0.14 4.34 4.81 -1.95 -2.07 114.58 126.93 3i01 h GLU 471 Ca -0.42 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.53 3i01 h GLU 471 Cb 1.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.59 3i01 h GLU 471 CO 0.89 0.02 -1.38 0.00 -0.73 0.00 0.00 179.01 177.81 3i01 h ALA 472 N 1.98 0.10 0.00 2.92 0.00 -1.97 -0.34 119.26 121.95 3i01 h ALA 472 Ca -0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 54.91 53.85 3i01 h ALA 472 Cb 0.18 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i01 h ALA 472 CO 0.00 0.77 -0.24 0.87 0.00 0.00 0.00 179.25 180.65 3i01 h LYS 473 N -0.21 0.00 0.34 0.00 1.57 -1.94 0.19 116.57 116.53 3i01 h LYS 473 Ca -0.28 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 3i01 h LYS 473 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.15 3i01 h LYS 473 CO 0.11 0.24 -0.17 0.28 -0.57 0.00 0.00 179.45 179.35 3i01 h VAL 474 N 0.00 0.00 -0.61 0.50 2.07 -1.48 -1.87 116.25 114.85 3i01 h VAL 474 Ca -0.00 -0.47 0.15 0.00 0.82 0.00 0.00 66.70 67.20 3i01 h VAL 474 Cb 0.92 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.58 3i01 h VAL 474 CO 0.03 0.00 -0.03 1.17 0.02 0.00 0.00 177.57 178.76 3i01 n LYS 475 N -4.56 -0.05 0.17 1.57 0.00 -0.14 -0.17 118.16 114.98 3i01 n LYS 475 Ca -0.06 0.92 -0.07 0.00 0.00 0.00 0.00 58.31 59.10 3i01 n LYS 475 Cb 0.18 -1.44 -0.03 0.00 0.00 0.00 0.00 35.03 33.74 3i01 n LYS 475 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 3i01 h GLU 476 N 0.00 -0.45 0.00 1.64 4.81 -1.02 -3.32 114.58 116.24 3i01 h GLU 476 Ca 0.35 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3i01 h GLU 476 Cb 0.67 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3i01 h GLU 476 CO -0.59 -0.30 0.00 0.66 -0.73 0.00 0.00 179.01 178.05 3i01 n TYR 477 N -4.06 0.47 0.00 0.92 4.02 -0.70 -2.48 117.16 115.32 3i01 n TYR 477 Ca -0.06 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 3i01 n TYR 477 Cb 0.18 -0.79 0.00 0.00 -0.02 0.00 0.00 39.34 38.71 3i01 n TYR 477 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 3i01 n MET 478 N -1.92 0.00 -0.03 -0.72 1.56 0.76 -2.06 117.12 114.70 3i01 n MET 478 Ca 0.03 0.03 -0.05 0.00 -0.27 0.00 0.00 57.70 57.44 3i01 n MET 478 Cb 0.21 -1.51 -0.03 0.00 2.15 0.00 0.00 33.22 34.05 3i01 n MET 478 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 3i01 n GLU 479 N -0.95 0.17 -0.27 2.12 -0.58 -1.03 -3.59 120.64 116.50 3i01 n GLU 479 Ca 0.00 0.04 0.06 0.00 -0.42 0.00 0.00 57.16 56.84 3i01 n GLU 479 Cb 0.01 -1.12 0.21 0.00 -0.57 0.00 0.00 31.44 29.96 3i01 n GLU 479 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i01 h VAL 480 N -0.01 0.68 0.70 2.62 2.07 -1.63 -0.52 116.25 120.17 3i01 h VAL 480 Ca -0.15 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3i01 h VAL 480 Cb 1.23 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3i01 h VAL 480 CO -0.03 0.09 -0.34 0.00 0.02 0.00 0.00 177.57 177.32 3i01 h ALA 481 N 1.56 -0.94 0.00 1.67 0.00 -1.65 -2.59 119.26 117.31 3i01 h ALA 481 Ca 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i01 h ALA 481 Cb 0.66 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i01 h ALA 481 CO -0.39 -0.91 0.26 -0.09 0.00 0.00 0.00 179.25 178.12 3i01 h ARG 482 N -1.17 0.00 0.03 0.00 2.43 -1.59 0.33 114.38 114.41 3i01 h ARG 482 Ca -0.10 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 3i01 h ARG 482 Cb 0.75 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3i01 h ARG 482 CO 0.16 0.00 -0.30 1.49 -1.51 0.00 0.00 179.97 179.81 3i01 h GLU 483 N 0.00 0.15 -0.72 0.20 4.81 -0.98 -3.19 114.58 114.85 3i01 h GLU 483 Ca 0.00 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.04 3i01 h GLU 483 Cb 0.53 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3i01 h GLU 483 CO 0.00 1.01 0.47 0.87 -0.73 0.00 0.00 179.01 180.63 3i01 h LYS 484 N -0.61 0.92 -0.57 1.92 1.79 -0.07 -2.34 116.57 117.60 3i01 h LYS 484 Ca -0.05 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 3i01 h LYS 484 Cb 1.14 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 3i01 h LYS 484 CO 0.06 0.61 0.30 1.88 -1.08 0.00 0.00 179.45 181.21 3i01 h TYR 485 N 0.94 0.81 -0.26 -1.35 0.99 -0.98 0.56 116.97 117.68 3i01 h TYR 485 Ca 0.27 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.95 3i01 h TYR 485 Cb -0.07 -0.25 -0.01 0.00 1.00 0.00 0.00 36.73 37.40 3i01 h TYR 485 CO -0.03 0.60 0.07 0.87 -0.00 0.00 0.00 178.16 179.68 3i01 h LYS 486 N 0.78 0.41 -0.85 4.88 1.79 -1.53 0.20 116.57 122.25 3i01 h LYS 486 Ca 0.20 -0.09 0.12 0.00 -2.18 0.00 0.00 60.65 58.70 3i01 h LYS 486 Cb 0.08 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.61 3i01 h LYS 486 CO -0.03 0.50 0.55 0.93 -1.08 0.00 0.00 179.45 180.32 3i01 h GLU 487 N 0.25 0.68 0.43 3.15 5.08 -1.14 -0.13 114.58 122.90 3i01 h GLU 487 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3i01 h GLU 487 Cb 0.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i01 h GLU 487 CO -0.00 0.45 -0.21 0.00 -1.00 0.00 0.00 179.01 178.25 3i01 h ARG 488 N 0.70 -0.56 -0.82 2.33 3.08 -0.52 -2.63 114.38 115.96 3i01 h ARG 488 Ca 0.41 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.65 3i01 h ARG 488 Cb 0.61 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.69 3i01 h ARG 488 CO -0.17 -0.33 0.39 -0.44 -1.07 0.00 0.00 179.97 178.34 3i01 h ASP 489 N -1.13 0.43 -0.60 7.04 3.32 -0.53 -0.79 116.42 124.17 3i01 h ASP 489 Ca -0.06 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3i01 h ASP 489 Cb 0.48 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3i01 h ASP 489 CO 0.10 0.16 0.22 0.44 -1.72 0.00 0.00 179.24 178.44 3i01 h ASP 490 N 0.55 0.84 -0.02 6.45 3.45 -1.10 -2.63 116.42 123.96 3i01 h ASP 490 Ca 0.45 -0.19 -0.09 0.00 0.43 0.00 0.00 57.03 57.64 3i01 h ASP 490 Cb 0.68 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 3i01 h ASP 490 CO -0.39 0.80 -0.25 -0.09 -1.57 0.00 0.00 179.24 177.74 3i01 h ARG 491 N 0.83 0.43 -0.04 3.56 2.43 -1.00 -3.20 114.38 117.41 3i01 h ARG 491 Ca 0.20 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3i01 h ARG 491 Cb 0.24 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3i01 h ARG 491 CO -0.01 0.66 0.02 0.52 -1.51 0.00 0.00 179.97 179.65 3i01 h MET 492 N 0.38 0.05 -0.05 0.20 2.86 -0.82 -2.56 114.93 115.00 3i01 h MET 492 Ca 0.06 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3i01 h MET 492 Cb 0.65 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3i01 h MET 492 CO 0.05 0.09 0.14 0.00 1.06 0.00 0.00 176.91 178.25 3i01 h ARG 493 N -0.00 0.00 0.00 1.72 3.08 -1.47 0.30 114.38 118.01 3i01 h ARG 493 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i01 h ARG 493 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3i01 h ARG 493 CO -0.00 0.00 -0.79 0.41 -1.07 0.00 0.00 179.97 178.52 3i01 n GLY 494 N -1.22 -1.16 3.45 0.04 0.00 -0.99 -4.78 105.19 100.53 3i01 n GLY 494 Ca -0.02 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 3i01 n GLY 494 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i01 s LEU 495 N -3.25 4.56 0.10 0.99 2.96 0.11 -4.79 118.68 119.36 3i01 s LEU 495 Ca 0.08 -0.97 0.01 0.00 -0.22 0.00 0.00 54.13 53.03 3i01 s LEU 495 Cb 0.16 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3i01 s LEU 495 CO 0.78 -1.31 -0.03 0.42 -1.32 0.00 0.00 176.35 174.89 3i01 s THR 496 N 3.69 0.49 0.46 3.68 -4.23 -1.26 -4.76 115.64 113.70 3i01 s THR 496 Ca 0.21 -1.91 0.12 0.00 -1.18 0.00 0.00 61.69 58.93 3i01 s THR 496 Cb -0.18 -1.77 0.24 0.00 1.34 0.00 0.00 72.50 72.13 3i01 s THR 496 CO 0.11 -0.77 2.07 0.44 -0.54 0.00 0.00 174.62 175.93 3i01 h ASP 497 N 2.95 0.20 -0.35 3.99 3.32 -1.92 -2.14 116.42 122.47 3i01 h ASP 497 Ca -0.35 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.52 3i01 h ASP 497 Cb 1.17 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3i01 h ASP 497 CO 0.64 0.19 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.59 3i01 h GLU 498 N 0.23 0.91 0.11 3.56 3.07 -1.97 -3.33 114.58 117.16 3i01 h GLU 498 Ca 0.06 -0.50 -0.27 0.00 -0.50 0.00 0.00 59.36 58.15 3i01 h GLU 498 Cb 0.06 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3i01 h GLU 498 CO -0.01 1.15 -1.22 1.79 -1.40 0.00 0.00 179.01 179.33 3i01 h THR 499 N 0.73 1.52 -3.92 1.13 1.35 -1.72 -3.45 112.91 108.56 3i01 h THR 499 Ca 0.05 -3.11 -0.48 0.00 -0.55 0.00 0.00 66.41 62.32 3i01 h THR 499 Cb 1.02 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.37 3i01 h THR 499 CO 0.10 0.90 0.23 0.68 -0.25 0.00 0.00 175.52 177.18 3i01 s VAL 500 N -2.66 4.63 -2.21 6.82 -7.23 -0.88 -4.96 120.40 113.92 3i01 s VAL 500 Ca -0.03 0.98 0.19 0.00 -1.81 0.00 0.00 61.98 61.31 3i01 s VAL 500 Cb 0.07 -3.69 0.28 0.00 0.56 0.00 0.00 36.38 33.60 3i01 s VAL 500 CO 0.88 -0.50 1.23 -0.90 -0.31 0.00 0.00 175.10 175.50 3i01 n ASP 501 N -1.15 2.96 -3.85 4.85 5.75 -1.26 -4.90 116.55 118.94 3i01 n ASP 501 Ca 0.05 -1.88 -0.23 0.00 -0.01 0.00 0.00 54.79 52.72 3i01 n ASP 501 Cb 0.54 -0.13 -0.17 0.00 -1.03 0.00 0.00 41.12 40.33 3i01 n ASP 501 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3i01 s THR 502 N -1.44 0.58 0.51 2.12 2.01 -1.26 -0.29 115.64 117.87 3i01 s THR 502 Ca 0.29 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.27 3i01 s THR 502 Cb 0.18 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 72.06 3i01 s THR 502 CO 0.26 0.27 0.70 -0.36 -0.69 0.00 0.00 174.62 174.80 3i01 s PHE 503 N 1.51 2.64 -0.03 4.92 2.99 -0.06 -4.89 117.98 125.06 3i01 s PHE 503 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 56.93 56.69 3i01 s PHE 503 Cb -0.13 -2.57 0.00 0.00 0.00 0.00 0.00 43.02 40.33 3i01 s PHE 503 CO -0.04 -0.76 -0.11 0.71 -0.00 0.00 0.00 175.22 175.02 3i01 s TYR 504 N -2.60 1.17 0.81 0.36 1.51 -0.84 0.15 117.35 117.90 3i01 s TYR 504 Ca 0.57 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 56.20 3i01 s TYR 504 Cb -0.09 -0.82 0.07 0.00 -0.11 0.00 0.00 41.96 41.01 3i01 s TYR 504 CO 0.37 -0.13 1.10 -1.54 -1.11 0.00 0.00 175.55 174.24 3i01 s SER 505 N 0.20 4.42 -0.10 2.29 1.04 -0.24 -0.25 113.70 121.06 3i01 s SER 505 Ca -0.04 1.29 -0.04 0.00 0.48 0.00 0.00 55.95 57.64 3i01 s SER 505 Cb -0.10 -2.01 0.05 0.00 0.10 0.00 0.00 66.02 64.06 3i01 s SER 505 CO 0.01 -2.01 0.21 0.00 0.98 0.00 0.00 173.24 172.43 3i01 n VAL 507 N 4.99 1.91 -0.19 0.00 0.24 -0.29 -0.93 118.33 124.06 3i01 n VAL 507 Ca -0.12 -2.63 -0.06 0.00 -2.04 0.00 0.00 64.34 59.49 3i01 n VAL 507 Cb 0.51 -0.16 0.10 0.00 -1.47 0.00 0.00 33.84 32.81 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 0.55 0.95 0.00 1.34 5.85 -1.91 -2.13 115.31 119.95 3i01 h LEU 508 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3i01 h LEU 508 Cb 1.05 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3i01 h LEU 508 CO 0.00 0.95 0.00 0.00 -0.34 0.00 0.00 178.44 179.05 3i01 n GLN 510 N -1.12 0.08 0.10 0.00 6.02 -0.80 -0.27 117.38 121.38 3i01 n GLN 510 Ca 0.12 0.33 0.02 0.00 -0.01 0.00 0.00 57.00 57.46 3i01 n GLN 510 Cb 0.10 -1.66 0.38 0.00 1.02 0.00 0.00 30.24 30.08 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 0.26 0.00 1.08 4.64 -1.79 -3.31 113.55 114.43 3i01 h SER 511 Ca 0.00 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3i01 h SER 511 Cb 0.28 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3i01 h SER 511 CO 0.00 0.40 -1.47 0.49 -0.87 0.00 0.00 176.83 175.38 3i01 n PHE 512 N -4.28 0.00 -3.72 4.77 3.01 -0.48 -4.87 117.46 111.89 3i01 n PHE 512 Ca -0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 3i01 n PHE 512 Cb 0.26 -0.26 -0.13 0.00 -0.01 0.00 0.00 39.48 39.35 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 -2.60 2.42 0.56 4.37 0.00 0.62 -2.75 121.76 124.38 3i01 s ALA 513 Ca -0.04 -2.83 0.28 0.00 0.00 0.00 0.00 51.96 49.37 3i01 s ALA 513 Cb 0.06 -1.92 1.47 0.00 0.00 0.00 0.00 23.12 22.73 3i01 s ALA 513 CO 0.40 -2.05 1.97 -1.35 0.00 0.00 0.00 175.76 174.72 3i01 h PRO 514 N 6.38 0.00 -0.00 0.00 0.11 -1.81 -1.70 132.00 134.98 3i01 h PRO 514 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3i01 h PRO 514 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3i01 h PRO 514 CO 0.52 0.00 -0.11 0.09 -0.21 0.00 0.00 178.00 178.29 3i01 n ASN 515 N -4.08 0.99 -4.76 -2.05 3.02 -1.26 -4.85 115.26 102.27 3i01 n ASN 515 Ca 0.09 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 3i01 n ASN 515 Cb 0.63 0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 40.19 3i01 n ASN 515 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i01 s HIS 516 N -0.94 3.40 -0.06 3.10 2.46 -0.64 -4.43 115.29 118.17 3i01 s HIS 516 Ca 0.05 1.57 0.01 0.00 0.47 0.00 0.00 55.06 57.16 3i01 s HIS 516 Cb 0.05 -3.43 0.02 0.00 -0.13 0.00 0.00 32.58 29.09 3i01 s HIS 516 CO 0.14 -1.05 -0.08 0.08 -2.47 0.00 0.00 174.74 171.36 3i01 s VAL 517 N -0.97 0.85 0.01 0.89 1.01 -1.26 -4.63 120.40 116.30 3i01 s VAL 517 Ca 0.47 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 3i01 s VAL 517 Cb -0.34 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3i01 s VAL 517 CO 0.44 0.30 0.28 0.00 0.00 0.00 0.00 175.10 176.12 3i01 s ILE 519 N -1.28 2.86 -0.20 0.00 -1.09 -1.26 -0.79 121.20 119.43 3i01 s ILE 519 Ca 0.27 -1.40 -0.08 0.00 -2.23 0.00 0.00 60.65 57.21 3i01 s ILE 519 Cb -0.13 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3i01 s ILE 519 CO 0.15 -0.08 0.09 -0.69 -1.23 0.00 0.00 174.94 173.19 3i01 s VAL 520 N 1.23 4.95 0.23 2.92 1.01 0.66 -4.89 120.40 126.51 3i01 s VAL 520 Ca -0.06 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.02 3i01 s VAL 520 Cb -0.20 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3i01 s VAL 520 CO -0.02 0.43 -0.11 0.42 0.00 0.00 0.00 175.10 175.82 3i01 s THR 521 N 0.59 1.63 0.53 3.92 -4.23 -0.74 -1.98 115.64 115.36 3i01 s THR 521 Ca 0.05 -2.17 0.32 0.00 -1.18 0.00 0.00 61.69 58.71 3i01 s THR 521 Cb -0.13 -2.17 0.50 0.00 1.34 0.00 0.00 72.50 72.04 3i01 s THR 521 CO 0.01 -0.50 1.86 -0.65 -0.54 0.00 0.00 174.62 174.80 3i01 h PRO 522 N 2.48 0.04 -0.16 3.99 0.11 -1.90 -1.59 132.00 134.96 3i01 h PRO 522 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3i01 h PRO 522 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i01 h PRO 522 CO 0.64 0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 3i01 n GLU 523 N -4.27 1.57 -3.74 1.05 1.02 -1.26 -4.75 120.64 110.26 3i01 n GLU 523 Ca 0.21 -1.61 -0.30 0.00 -0.02 0.00 0.00 57.16 55.44 3i01 n GLU 523 Cb 1.03 -1.28 -0.15 0.00 -0.02 0.00 0.00 31.44 31.02 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 -1.07 0.78 0.84 3.49 3.52 -0.60 -4.63 118.95 121.29 3i01 s ARG 524 Ca 0.20 -1.19 -0.13 0.00 -0.13 0.00 0.00 55.73 54.48 3i01 s ARG 524 Cb 0.12 -2.05 0.05 0.00 -1.56 0.00 0.00 34.95 31.51 3i01 s ARG 524 CO 0.17 -1.01 0.80 1.55 -0.81 0.00 0.00 175.30 176.01 3i01 n VAL 525 N 4.70 1.17 -1.84 7.11 3.14 -1.26 -1.79 118.33 129.57 3i01 n VAL 525 Ca -0.01 -0.23 -0.41 0.00 -2.96 0.00 0.00 64.34 60.73 3i01 n VAL 525 Cb 0.41 -0.90 -0.01 0.00 -1.06 0.00 0.00 33.84 32.28 3i01 n VAL 525 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3i01 s GLY 526 N -1.98 2.30 0.52 7.55 0.00 0.11 -4.64 107.32 111.18 3i01 s GLY 526 Ca 0.66 1.52 0.40 0.00 0.00 0.00 0.00 44.72 47.30 3i01 s GLY 526 CO 0.58 2.44 1.68 0.17 0.00 0.00 0.00 173.10 177.97 3i01 h LEU 527 N 4.56 0.07 -1.26 0.66 8.10 -1.87 0.36 115.31 125.93 3i01 h LEU 527 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.55 3i01 h LEU 527 Cb 1.22 0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 3i01 h LEU 527 CO 0.76 -0.03 0.00 0.00 -4.11 0.00 0.00 178.44 175.06 3i01 n GLY 529 N -0.55 0.33 0.17 0.00 0.00 0.13 -4.63 105.19 100.63 3i01 n GLY 529 Ca 0.00 0.00 0.02 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 1.00 2.51 -3.67 4.61 0.00 -1.26 -4.92 120.51 118.78 3i01 n ALA 530 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 3i01 n ALA 530 Cb 0.18 -0.17 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.58 0.97 0.74 0.00 1.01 -1.26 -5.03 120.40 116.25 3i01 s VAL 531 Ca 0.05 -2.02 -0.08 0.00 0.00 0.00 0.00 61.98 59.94 3i01 s VAL 531 Cb 0.04 -1.70 0.08 0.00 0.00 0.00 0.00 36.38 34.80 3i01 s VAL 531 CO 0.08 -0.85 1.05 -0.94 0.00 0.00 0.00 175.10 174.45 3i01 s SER 532 N 0.90 4.63 0.24 3.32 1.04 -1.26 0.04 113.70 122.60 3i01 s SER 532 Ca 0.15 0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.96 3i01 s SER 532 Cb -0.22 -1.00 0.38 0.00 0.10 0.00 0.00 66.02 65.28 3i01 s SER 532 CO -0.08 -1.73 1.82 -0.25 0.98 0.00 0.00 173.24 173.99 3i01 h TRP 533 N -0.72 0.90 -0.12 5.02 7.01 -1.89 -0.33 115.95 125.82 3i01 h TRP 533 Ca -0.44 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.52 3i01 h TRP 533 Cb 1.31 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 28.09 3i01 h TRP 533 CO 0.19 0.40 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.95 3i01 h LEU 534 N 0.85 0.39 -0.92 0.65 3.38 -1.95 -0.76 115.31 116.95 3i01 h LEU 534 Ca 0.39 -0.55 0.17 0.00 0.09 0.00 0.00 57.88 57.99 3i01 h LEU 534 Cb 0.30 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 40.78 3i01 h LEU 534 CO -0.22 0.86 -0.28 0.44 0.09 0.00 0.00 178.44 179.33 3i01 h ASP 535 N -0.07 -1.03 -0.05 -0.43 3.32 -1.85 0.81 116.42 117.13 3i01 h ASP 535 Ca 0.01 0.28 -0.16 0.00 0.02 0.00 0.00 57.03 57.18 3i01 h ASP 535 Cb 0.79 0.62 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 3i01 h ASP 535 CO 0.05 -0.30 -0.51 0.00 -1.72 0.00 0.00 179.24 176.75 3i01 h ALA 536 N 1.73 0.69 -0.06 3.45 0.00 -0.94 -0.44 119.26 123.68 3i01 h ALA 536 Ca 0.41 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i01 h ALA 536 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i01 h ALA 536 CO -0.94 0.68 0.03 -0.22 0.00 0.00 0.00 179.25 178.80 3i01 h LYS 537 N 0.48 0.07 -0.30 0.00 3.64 -0.48 -0.79 116.57 119.19 3i01 h LYS 537 Ca 0.02 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3i01 h LYS 537 Cb 1.06 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 3i01 h LYS 537 CO 0.10 0.04 -0.09 0.00 -2.27 0.00 0.00 179.45 177.23 3i01 h ALA 538 N 1.03 0.17 -0.64 5.00 0.00 -0.62 -1.32 119.26 122.87 3i01 h ALA 538 Ca 0.02 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3i01 h ALA 538 Cb -0.00 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3i01 h ALA 538 CO -0.01 -0.49 0.35 1.03 0.00 0.00 0.00 179.25 180.13 3i01 h SER 539 N -0.03 0.50 -0.43 0.00 0.87 -0.83 0.21 113.55 113.84 3i01 h SER 539 Ca 0.15 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3i01 h SER 539 Cb 0.25 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3i01 h SER 539 CO -0.32 0.32 0.09 0.22 -0.53 0.00 0.00 176.83 176.61 3i01 h TYR 540 N 0.64 0.80 -0.54 2.24 3.20 -0.58 -2.14 116.97 120.58 3i01 h TYR 540 Ca 0.29 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3i01 h TYR 540 Cb 0.21 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3i01 h TYR 540 CO -0.09 0.69 0.32 0.93 -1.64 0.00 0.00 178.16 178.37 3i01 h GLU 541 N 0.74 0.74 -0.76 1.82 4.39 0.11 -2.75 114.58 118.87 3i01 h GLU 541 Ca 0.16 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 3i01 h GLU 541 Cb 0.32 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 3i01 h GLU 541 CO 0.00 0.54 0.37 0.82 -1.16 0.00 0.00 179.01 179.59 3i01 h ILE 542 N 0.73 1.24 -2.08 3.13 2.04 -0.72 -3.43 117.51 118.41 3i01 h ILE 542 Ca 0.19 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3i01 h ILE 542 Cb -0.00 0.26 -0.25 0.00 -0.74 0.00 0.00 36.82 36.09 3i01 h ILE 542 CO -0.04 0.28 -0.31 0.21 0.00 0.00 0.00 178.15 178.30 3i01 s ASN 543 N -6.38 -0.57 0.26 1.72 2.47 -0.84 -4.96 114.94 106.64 3i01 s ASN 543 Ca -0.11 1.02 0.13 0.00 0.42 0.00 0.00 52.86 54.32 3i01 s ASN 543 Cb 0.17 1.68 0.18 0.00 -1.45 0.00 0.00 41.25 41.83 3i01 s ASN 543 CO 0.81 -0.24 1.49 0.45 -3.72 0.00 0.00 177.10 175.89 3i01 h HIS 544 N 8.10 0.00 -0.53 0.43 3.86 -1.81 -2.24 115.15 122.96 3i01 h HIS 544 Ca -0.18 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.90 3i01 h HIS 544 Cb 1.12 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.51 3i01 h HIS 544 CO 0.20 0.63 0.17 0.00 0.86 0.00 0.00 177.93 179.79 3i01 n ALA 545 N -2.31 3.95 -1.14 2.45 0.00 -1.26 -4.91 120.51 117.29 3i01 n ALA 545 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.81 3i01 n ALA 545 Cb 0.72 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3i01 n ALA 545 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i01 n GLY 546 N 0.04 -0.87 0.08 0.00 0.00 -0.84 -4.95 105.19 98.65 3i01 n GLY 546 Ca 0.28 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.91 1.11 -4.02 1.61 -0.04 -1.26 -4.62 135.00 126.86 3i01 n PRO 547 Ca 0.00 -0.16 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 3i01 n PRO 547 Cb 0.00 -1.23 -0.17 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.42 2.55 -0.02 3.54 -0.87 -1.26 -1.14 114.94 116.32 3i01 s ASN 548 Ca 0.22 -0.44 0.07 0.00 -1.57 0.00 0.00 52.86 51.14 3i01 s ASN 548 Cb 0.10 -1.10 -0.02 0.00 -0.02 0.00 0.00 41.25 40.22 3i01 s ASN 548 CO 0.17 -0.07 -0.25 -1.10 -2.57 0.00 0.00 177.10 173.28 3i01 s GLN 549 N 1.51 2.16 0.21 -0.60 -0.21 -1.24 -4.29 119.66 117.19 3i01 s GLN 549 Ca 0.04 -0.90 -0.30 0.00 0.02 0.00 0.00 55.36 54.22 3i01 s GLN 549 Cb -0.13 -2.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.72 3i01 s GLN 549 CO -0.10 0.57 1.10 -1.25 -2.12 0.00 0.00 175.29 173.49 3i01 s PRO 550 N -0.62 4.61 -0.29 2.91 0.04 -1.26 -1.08 135.00 139.31 3i01 s PRO 550 Ca 0.10 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 3i01 s PRO 550 Cb -0.10 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.24 3i01 s PRO 550 CO -0.01 0.12 -0.02 0.42 0.04 0.00 0.00 177.00 177.56 3i01 s ILE 551 N -0.55 2.90 0.02 0.56 1.01 0.39 -4.90 121.20 120.63 3i01 s ILE 551 Ca 0.48 -1.35 -0.34 0.00 0.00 0.00 0.00 60.65 59.44 3i01 s ILE 551 Cb -0.30 -2.64 -0.12 0.00 0.01 0.00 0.00 42.46 39.41 3i01 s ILE 551 CO 0.37 -0.05 1.78 -2.65 0.00 0.00 0.00 174.94 174.38 3i01 n PRO 552 N 4.61 2.26 -2.27 2.79 -0.02 -1.26 -0.88 135.00 140.23 3i01 n PRO 552 Ca -0.14 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 3i01 n PRO 552 Cb 0.44 -2.65 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 3i01 n PRO 552 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i01 s LYS 553 N 2.87 3.07 0.36 -0.52 2.20 0.61 -4.59 119.74 123.73 3i01 s LYS 553 Ca 0.87 -1.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 3i01 s LYS 553 Cb -0.65 -5.30 -0.04 0.00 -1.51 0.00 0.00 37.83 30.32 3i01 s LYS 553 CO 0.45 -3.14 0.11 -1.21 -0.36 0.00 0.00 175.35 171.20 3i01 s GLU 554 N 5.76 1.75 -1.55 4.03 2.02 -1.26 -4.89 118.70 124.56 3i01 s GLU 554 Ca 0.62 -2.02 -0.11 0.00 0.02 0.00 0.00 54.97 53.47 3i01 s GLU 554 Cb -0.01 -0.57 0.08 0.00 0.10 0.00 0.00 34.13 33.73 3i01 s GLU 554 CO 0.06 -0.38 0.73 0.41 0.02 0.00 0.00 175.26 176.10 3i01 n GLY 555 N -0.76 -0.38 3.56 -1.39 0.00 -1.26 -2.90 105.19 102.06 3i01 n GLY 555 Ca -0.03 0.15 -0.54 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.46 0.81 -0.07 1.61 2.13 -1.26 -0.87 120.64 118.52 3i01 n GLU 556 Ca -0.07 0.29 -0.12 0.00 0.66 0.00 0.00 57.16 57.92 3i01 n GLU 556 Cb 0.57 -1.87 -0.06 0.00 0.27 0.00 0.00 31.44 30.35 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 2.09 0.84 -3.17 6.31 5.41 0.08 -4.85 119.36 126.06 3i01 n ILE 557 Ca 0.18 -0.29 0.03 0.00 1.00 0.00 0.00 62.75 63.67 3i01 n ILE 557 Cb 0.17 -1.20 -0.01 0.00 -0.71 0.00 0.00 39.64 37.88 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 -5.68 -1.27 0.31 4.38 -1.08 -1.08 -4.98 116.67 107.27 3i01 s ASP 558 Ca -0.20 0.59 0.26 0.00 -0.52 0.00 0.00 52.55 52.68 3i01 s ASP 558 Cb 0.06 2.02 1.01 0.00 -1.46 0.00 0.00 42.92 44.55 3i01 s ASP 558 CO 0.32 -0.28 1.77 1.55 0.52 0.00 0.00 175.17 179.05 3i01 h PRO 559 N 8.02 0.00 0.02 4.34 0.13 -1.95 0.16 132.00 142.72 3i01 h PRO 559 Ca -0.16 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.70 3i01 h PRO 559 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 3i01 h PRO 559 CO 0.23 0.00 -1.45 -0.89 -0.23 0.00 0.00 178.00 175.67 3i01 n ILE 560 N -2.41 1.57 -0.12 -3.56 2.08 -1.26 -4.18 119.36 111.48 3i01 n ILE 560 Ca 0.02 -0.14 -0.05 0.00 0.56 0.00 0.00 62.75 63.14 3i01 n ILE 560 Cb 0.28 -1.99 0.13 0.00 -0.75 0.00 0.00 39.64 37.31 3i01 n ILE 560 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3i01 h LYS 561 N -0.83 0.82 -1.01 0.38 1.57 -1.93 -3.36 116.57 112.21 3i01 h LYS 561 Ca -0.38 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 3i01 h LYS 561 Cb 1.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3i01 h LYS 561 CO -0.18 0.85 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 3i01 n GLY 562 N -0.54 0.80 3.19 3.86 0.00 -0.09 -0.83 105.19 111.58 3i01 n GLY 562 Ca 0.02 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.34 2.10 -0.02 -0.61 1.01 -0.42 -0.93 121.20 120.00 3i01 s ILE 563 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3i01 s ILE 563 Cb 0.00 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3i01 s ILE 563 CO 0.00 0.55 -0.08 0.26 0.00 0.00 0.00 174.94 175.67 3i01 s TRP 564 N 0.69 0.84 0.48 3.97 0.51 -1.26 -0.74 118.94 123.42 3i01 s TRP 564 Ca -0.10 -0.19 0.13 0.00 -2.12 0.00 0.00 56.10 53.82 3i01 s TRP 564 Cb -0.16 -0.59 1.12 0.00 -0.81 0.00 0.00 33.47 33.04 3i01 s TRP 564 CO 0.01 -0.07 2.11 -0.22 -0.51 0.00 0.00 176.95 178.27 3i01 h LYS 565 N 6.26 0.18 -0.26 4.98 1.63 -0.91 -1.63 116.57 126.81 3i01 h LYS 565 Ca -0.32 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.36 3i01 h LYS 565 Cb 1.17 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 3i01 h LYS 565 CO 0.49 0.13 -0.26 0.66 -3.45 0.00 0.00 179.45 177.02 3i01 h SER 566 N 0.18 0.68 -0.05 4.20 4.64 -1.77 -0.48 113.55 120.95 3i01 h SER 566 Ca 0.05 -0.47 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3i01 h SER 566 Cb -0.01 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3i01 h SER 566 CO -0.01 1.01 0.02 0.58 -0.87 0.00 0.00 176.83 177.56 3i01 h VAL 567 N 0.36 1.15 -0.58 0.95 2.07 -1.75 -1.48 116.25 116.97 3i01 h VAL 567 Ca 0.04 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3i01 h VAL 567 Cb 0.82 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3i01 h VAL 567 CO 0.06 0.12 0.17 0.78 0.02 0.00 0.00 177.57 178.73 3i01 h ASN 568 N -0.09 0.12 -0.58 0.57 2.35 -1.31 -0.67 115.58 115.96 3i01 h ASN 568 Ca 0.02 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3i01 h ASN 568 Cb 0.18 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3i01 h ASN 568 CO -0.00 0.08 0.20 0.44 -1.65 0.00 0.00 177.43 176.49 3i01 h ASP 569 N 0.33 0.84 -0.33 5.81 5.19 -0.98 -2.08 116.42 125.20 3i01 h ASP 569 Ca 0.30 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 3i01 h ASP 569 Cb 0.40 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 3i01 h ASP 569 CO -0.34 0.81 0.18 0.22 -3.12 0.00 0.00 179.24 177.00 3i01 h TYR 570 N 0.82 0.45 -0.88 4.55 3.20 -0.99 -3.15 116.97 120.98 3i01 h TYR 570 Ca 0.19 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3i01 h TYR 570 Cb 0.27 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 3i01 h TYR 570 CO 0.02 0.36 0.56 1.25 -1.64 0.00 0.00 178.16 178.71 3i01 h LEU 571 N 0.41 0.92 0.07 2.82 6.46 -1.02 -0.78 115.31 124.19 3i01 h LEU 571 Ca 0.12 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3i01 h LEU 571 Cb 0.06 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 3i01 h LEU 571 CO -0.02 0.62 -0.28 0.22 -0.62 0.00 0.00 178.44 178.36 3i01 h TYR 572 N 1.07 -0.76 -0.24 1.25 3.20 -1.33 -1.29 116.97 118.86 3i01 h TYR 572 Ca 0.36 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 62.09 3i01 h TYR 572 Cb 0.05 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3i01 h TYR 572 CO -0.02 -0.38 -0.46 1.15 -1.64 0.00 0.00 178.16 176.81 3i01 h THR 573 N -0.47 1.30 0.00 1.81 2.02 -1.58 0.23 112.91 116.23 3i01 h THR 573 Ca 0.04 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3i01 h THR 573 Cb 0.52 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3i01 h THR 573 CO -0.20 0.53 0.00 0.00 0.37 0.00 0.00 175.52 176.22 3i01 h ALA 574 N 0.64 1.00 -0.63 6.16 0.00 -0.98 -2.01 119.26 123.43 3i01 h ALA 574 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i01 h ALA 574 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i01 h ALA 574 CO 0.10 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 3i01 n SER 575 N -3.05 3.80 -3.33 0.00 3.41 -0.50 -4.83 113.62 109.13 3i01 n SER 575 Ca 0.00 -2.06 -0.22 0.00 -0.26 0.00 0.00 58.87 56.33 3i01 n SER 575 Cb 0.26 -0.44 0.07 0.00 -0.26 0.00 0.00 64.21 63.84 3i01 n SER 575 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i01 n ASN 576 N 1.31 -6.11 -0.37 4.04 3.02 -0.76 -2.73 115.26 113.67 3i01 n ASN 576 Ca 0.22 -0.47 -0.05 0.00 -0.03 0.00 0.00 54.58 54.25 3i01 n ASN 576 Cb 0.61 -4.76 -0.02 0.00 -0.61 0.00 0.00 39.78 35.00 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 -4.61 -0.44 0.04 3.52 1.74 0.81 -4.93 116.66 112.80 3i01 n ARG 577 Ca -0.01 0.61 0.02 0.00 -0.77 0.00 0.00 57.85 57.70 3i01 n ARG 577 Cb 0.56 -4.30 -0.07 0.00 -1.02 0.00 0.00 32.46 27.64 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 0.82 0.83 -4.14 0.55 3.02 -1.10 -4.90 115.26 110.33 3i01 n ASN 578 Ca -0.05 0.35 -0.22 0.00 -0.03 0.00 0.00 54.58 54.64 3i01 n ASN 578 Cb 0.18 0.27 -0.14 0.00 -0.61 0.00 0.00 39.78 39.48 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 -5.66 2.11 -0.02 3.41 1.43 -1.26 -5.04 118.68 113.64 3i01 s LEU 579 Ca -0.03 -0.38 0.16 0.00 -1.03 0.00 0.00 54.13 52.85 3i01 s LEU 579 Cb 0.09 -0.70 -0.25 0.00 0.03 0.00 0.00 46.19 45.36 3i01 s LEU 579 CO 0.81 0.11 0.35 -0.62 0.23 0.00 0.00 176.35 177.22 3i01 n GLU 580 N 2.23 0.51 -3.74 1.70 1.02 -1.26 -3.62 120.64 117.48 3i01 n GLU 580 Ca -0.16 -0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 56.70 3i01 n GLU 580 Cb 0.55 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.50 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 -3.10 0.63 -0.01 3.49 0.74 -1.26 -4.70 119.66 115.45 3i01 s GLN 581 Ca -0.06 0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.44 3i01 s GLN 581 Cb 0.10 0.29 -0.00 0.00 1.10 0.00 0.00 33.01 34.50 3i01 s GLN 581 CO 0.66 -0.15 -0.04 0.54 -0.55 0.00 0.00 175.29 175.75 3i01 s VAL 582 N -0.83 0.34 -0.27 1.34 0.11 -1.26 -4.85 120.40 114.98 3i01 s VAL 582 Ca -0.09 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.70 3i01 s VAL 582 Cb -0.04 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 3i01 s VAL 582 CO 0.03 0.10 0.12 0.00 -3.33 0.00 0.00 175.10 172.02 3i01 n LEU 584 N 4.97 0.61 -0.00 0.00 4.77 -0.10 -3.81 117.00 123.43 3i01 n LEU 584 Ca -0.15 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3i01 n LEU 584 Cb 0.51 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3i01 n LEU 584 CO 0.32 -0.24 0.49 -1.22 -1.33 0.00 0.00 177.39 175.42 3i01 n TYR 585 N -2.09 0.00 -4.21 -1.77 0.53 -0.01 -4.89 117.16 104.71 3i01 n TYR 585 Ca 0.05 -0.49 -0.17 0.00 -1.02 0.00 0.00 57.90 56.27 3i01 n TYR 585 Cb 0.36 -0.05 -0.13 0.00 -1.03 0.00 0.00 39.34 38.49 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 -1.00 0.74 0.00 -0.72 -1.32 -1.25 -2.29 115.64 109.80 3i01 s THR 586 Ca 0.01 -0.80 0.17 0.00 -1.21 0.00 0.00 61.69 59.86 3i01 s THR 586 Cb 0.01 -0.70 0.10 0.00 -1.51 0.00 0.00 72.50 70.40 3i01 s THR 586 CO 0.00 -0.08 1.59 0.25 -2.21 0.00 0.00 174.62 174.17 3i01 h LEU 587 N 5.12 0.00 0.00 9.08 5.85 -1.94 -3.40 115.31 130.02 3i01 h LEU 587 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3i01 h LEU 587 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3i01 h LEU 587 CO 0.45 0.44 -1.82 0.23 -0.34 0.00 0.00 178.44 177.40 3i01 n MET 588 N -3.36 0.59 -4.03 1.25 2.81 -1.26 -0.97 117.12 112.15 3i01 n MET 588 Ca 0.01 -0.17 -0.16 0.00 -1.81 0.00 0.00 57.70 55.57 3i01 n MET 588 Cb 0.63 -1.45 -0.15 0.00 -0.71 0.00 0.00 33.22 31.54 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 -3.30 0.34 -0.38 0.03 2.12 -1.26 -4.68 118.70 111.57 3i01 s GLU 589 Ca -0.06 -0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.16 3i01 s GLU 589 Cb 0.12 -0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.12 3i01 s GLU 589 CO 0.79 -0.01 0.10 0.09 -0.54 0.00 0.00 175.26 175.69 3i01 n ASN 590 N 3.48 -0.47 -4.71 -1.70 3.02 -1.26 -4.30 115.26 109.33 3i01 n ASN 590 Ca -0.19 -0.36 -0.30 0.00 -0.03 0.00 0.00 54.58 53.70 3i01 n ASN 590 Cb 0.55 -0.43 0.14 0.00 -0.61 0.00 0.00 39.78 39.42 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 -4.99 1.36 0.33 3.52 0.04 -1.26 -1.17 135.00 132.82 3i01 s PRO 591 Ca 0.07 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 3i01 s PRO 591 Cb -0.04 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.58 3i01 s PRO 591 CO 0.27 -2.26 1.48 -0.12 0.04 0.00 0.00 177.00 176.42 3i01 n MET 592 N -3.93 2.54 -2.00 4.56 1.56 -1.26 -4.82 117.12 113.77 3i01 n MET 592 Ca 0.08 0.90 -0.29 0.00 -0.27 0.00 0.00 57.70 58.12 3i01 n MET 592 Cb 0.54 -2.61 0.15 0.00 2.15 0.00 0.00 33.22 33.45 3i01 n MET 592 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3i01 s THR 593 N -0.66 2.03 0.05 1.12 -4.23 -1.26 -4.69 115.64 108.00 3i01 s THR 593 Ca 0.58 -0.07 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3i01 s THR 593 Cb -0.51 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 3i01 s THR 593 CO 0.57 0.00 -0.04 -0.44 -0.54 0.00 0.00 174.62 174.17 3i01 s SER 594 N -4.80 0.55 0.00 3.99 0.01 -1.26 -4.85 113.70 107.34 3i01 s SER 594 Ca 0.70 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.12 3i01 s SER 594 Cb -0.06 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.32 3i01 s SER 594 CO 0.51 -0.48 0.00 0.00 0.41 0.00 0.00 173.24 173.68 3i01 n GLY 596 N 2.31 0.10 1.15 0.00 0.00 -1.26 -1.11 105.19 106.38 3i01 n GLY 596 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 1.41 1.13 0.21 0.00 1.16 -1.26 -4.44 117.46 115.66 3i01 n PHE 598 Ca 0.20 0.72 0.05 0.00 -1.87 0.00 0.00 57.45 56.55 3i01 n PHE 598 Cb 0.57 -2.24 0.44 0.00 -1.61 0.00 0.00 39.48 36.64 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 3.02 0.00 -3.31 3.97 5.08 -1.07 -3.44 114.58 118.84 3i01 h GLU 599 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3i01 h GLU 599 Cb 1.35 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.53 3i01 h GLU 599 CO 0.68 0.29 0.06 0.00 -1.00 0.00 0.00 179.01 179.03 3i01 s ALA 600 N -4.30 -0.82 -0.02 3.43 0.00 -0.73 -1.63 121.76 117.71 3i01 s ALA 600 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3i01 s ALA 600 Cb 0.14 0.93 0.02 0.00 0.00 0.00 0.00 23.12 24.21 3i01 s ALA 600 CO 0.70 -0.91 0.02 0.42 0.00 0.00 0.00 175.76 175.99 3i01 s ILE 601 N -3.94 -0.01 0.02 0.00 1.01 -0.25 -1.40 121.20 116.62 3i01 s ILE 601 Ca 0.14 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 3i01 s ILE 601 Cb -0.03 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 3i01 s ILE 601 CO 0.05 0.07 0.20 0.00 0.00 0.00 0.00 174.94 175.26 3i01 s MET 602 N 0.80 3.45 -0.01 2.79 0.23 -0.16 -1.35 119.30 125.04 3i01 s MET 602 Ca -0.07 -0.35 0.00 0.00 -1.03 0.00 0.00 55.69 54.24 3i01 s MET 602 Cb -0.10 -3.07 0.02 0.00 -1.53 0.00 0.00 34.83 30.15 3i01 s MET 602 CO -0.02 0.64 0.02 0.00 -2.03 0.00 0.00 175.02 173.63 3i01 s ALA 603 N -1.41 0.06 0.55 3.16 0.00 -0.61 -1.01 121.76 122.51 3i01 s ALA 603 Ca 0.31 0.19 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 3i01 s ALA 603 Cb -0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 3i01 s ALA 603 CO 0.22 -0.07 1.30 0.96 0.00 0.00 0.00 175.76 178.18 3i01 s ILE 604 N 0.68 2.32 -0.43 0.00 -5.25 0.75 -1.07 121.20 118.20 3i01 s ILE 604 Ca -0.06 0.23 0.02 0.00 -0.99 0.00 0.00 60.65 59.85 3i01 s ILE 604 Cb -0.08 -3.11 0.13 0.00 2.95 0.00 0.00 42.46 42.35 3i01 s ILE 604 CO -0.02 -0.01 0.22 -0.76 -1.79 0.00 0.00 174.94 172.58 3i01 s LEU 605 N -3.60 2.84 0.36 0.37 1.43 0.12 -4.84 118.68 115.36 3i01 s LEU 605 Ca 0.72 -2.57 0.13 0.00 -1.03 0.00 0.00 54.13 51.38 3i01 s LEU 605 Cb -0.37 -1.09 0.66 0.00 0.03 0.00 0.00 46.19 45.43 3i01 s LEU 605 CO 0.43 -0.28 1.79 -0.65 0.23 0.00 0.00 176.35 177.87 3i01 h PRO 606 N 6.84 0.00 0.00 1.29 0.11 -1.81 -1.24 132.00 137.19 3i01 h PRO 606 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3i01 h PRO 606 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3i01 h PRO 606 CO 0.50 0.41 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 3i01 n GLU 607 N -4.02 0.16 -0.19 1.05 4.71 -1.26 -1.47 120.64 119.61 3i01 n GLU 607 Ca -0.02 0.46 0.06 0.00 -0.01 0.00 0.00 57.16 57.65 3i01 n GLU 607 Cb 0.44 -1.84 0.17 0.00 -1.01 0.00 0.00 31.44 29.20 3i01 n GLU 607 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i01 n ASN 609 N 0.63 -1.78 0.00 0.00 5.15 -0.54 -4.25 115.26 114.47 3i01 n ASN 609 Ca 0.13 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 3i01 n ASN 609 Cb 0.44 -1.79 0.00 0.00 -0.53 0.00 0.00 39.78 37.90 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 -0.33 5.24 3.07 8.20 0.00 -1.08 -4.69 105.19 115.60 3i01 n GLY 610 Ca -0.06 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 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 0.20 0.51 0.22 -0.61 -4.36 0.27 -0.70 121.20 116.73 3i01 s ILE 611 Ca 0.00 -1.20 0.06 0.00 -0.26 0.00 0.00 60.65 59.25 3i01 s ILE 611 Cb 0.00 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 42.92 3i01 s ILE 611 CO 0.00 -0.48 0.19 0.00 0.24 0.00 0.00 174.94 174.89 3i01 s MET 612 N -1.95 2.96 -0.01 0.37 0.23 -0.23 -0.92 119.30 119.74 3i01 s MET 612 Ca -0.07 -0.97 0.04 0.00 -1.03 0.00 0.00 55.69 53.66 3i01 s MET 612 Cb -0.07 -2.61 -0.01 0.00 -1.53 0.00 0.00 34.83 30.60 3i01 s MET 612 CO -0.01 0.43 -0.13 0.42 -2.03 0.00 0.00 175.02 173.70 3i01 s ILE 613 N -2.00 1.02 0.22 3.16 1.01 -0.79 -1.57 121.20 122.24 3i01 s ILE 613 Ca 0.32 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.45 3i01 s ILE 613 Cb -0.09 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 3i01 s ILE 613 CO 0.25 0.29 0.02 0.28 0.00 0.00 0.00 174.94 175.78 3i01 s THR 614 N -0.26 0.83 0.22 2.92 -1.32 -0.46 -4.06 115.64 113.51 3i01 s THR 614 Ca 0.04 -2.01 0.04 0.00 -1.21 0.00 0.00 61.69 58.55 3i01 s THR 614 Cb -0.05 -2.34 -0.05 0.00 -1.51 0.00 0.00 72.50 68.54 3i01 s THR 614 CO -0.00 -0.30 -0.02 0.42 -2.21 0.00 0.00 174.62 172.51 3i01 s THR 615 N -3.56 1.08 0.34 5.08 -4.23 -1.26 -1.10 115.64 112.00 3i01 s THR 615 Ca 0.29 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.83 3i01 s THR 615 Cb 0.06 -2.28 0.31 0.00 1.34 0.00 0.00 72.50 71.94 3i01 s THR 615 CO 0.08 -0.38 1.87 -0.09 -0.54 0.00 0.00 174.62 175.56 3i01 h ARG 616 N 2.51 0.72 -0.00 3.99 2.43 -1.59 -1.67 114.38 120.77 3i01 h ARG 616 Ca -0.38 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3i01 h ARG 616 Cb 1.22 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3i01 h ARG 616 CO 0.64 0.48 -0.13 -0.25 -1.51 0.00 0.00 179.97 179.20 3i01 n ASP 617 N -4.56 0.22 -4.45 -3.80 8.00 -1.26 -4.71 116.55 105.99 3i01 n ASP 617 Ca 0.17 -0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.23 3i01 n ASP 617 Cb 0.43 -0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.82 3.16 -0.11 1.24 2.46 -0.63 -4.95 115.29 113.65 3i01 s HIS 618 Ca 0.19 -0.53 0.21 0.00 0.47 0.00 0.00 55.06 55.39 3i01 s HIS 618 Cb 0.19 -3.07 0.49 0.00 -0.13 0.00 0.00 32.58 30.07 3i01 s HIS 618 CO 0.54 -0.78 1.64 0.00 -2.47 0.00 0.00 174.74 173.67 3i01 h ALA 619 N 8.78 0.88 -2.36 1.58 0.00 -1.84 -3.39 119.26 122.92 3i01 h ALA 619 Ca -0.27 -0.24 -0.51 0.00 0.00 0.00 0.00 54.91 53.89 3i01 h ALA 619 Cb 1.11 -0.04 0.13 0.00 0.00 0.00 0.00 17.79 18.98 3i01 h ALA 619 CO 0.84 0.33 0.33 0.20 0.00 0.00 0.00 179.25 180.95 3i01 s GLY 620 N -4.33 1.82 0.70 0.00 0.00 -1.26 -4.73 107.32 99.52 3i01 s GLY 620 Ca 0.03 0.36 -0.16 0.00 0.00 0.00 0.00 44.72 44.95 3i01 s GLY 620 CO 0.68 0.71 1.14 -0.13 0.00 0.00 0.00 173.10 175.50 3i01 n MET 621 N -3.22 0.71 -4.19 2.90 1.56 -1.26 -4.47 117.12 109.15 3i01 n MET 621 Ca 0.10 0.30 -0.14 0.00 -0.27 0.00 0.00 57.70 57.69 3i01 n MET 621 Cb 0.53 -2.38 -0.11 0.00 2.15 0.00 0.00 33.22 33.41 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 -1.68 0.97 -0.21 1.12 -4.23 -1.22 -4.75 115.64 105.63 3i01 s THR 622 Ca 0.77 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.62 3i01 s THR 622 Cb -0.35 -1.49 0.09 0.00 1.34 0.00 0.00 72.50 72.09 3i01 s THR 622 CO 0.46 -0.63 1.16 -2.65 -0.54 0.00 0.00 174.62 172.43 3i01 n PRO 623 N 0.35 0.06 0.16 3.99 -0.02 -0.80 -0.54 135.00 138.20 3i01 n PRO 623 Ca -0.14 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 3i01 n PRO 623 Cb 0.59 -1.95 0.50 0.00 -0.02 0.00 0.00 33.50 32.61 3i01 n PRO 623 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i01 h SER 624 N 0.00 0.00 0.00 2.55 4.64 -1.91 -3.38 113.55 115.45 3i01 h SER 624 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i01 h SER 624 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3i01 h SER 624 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3i01 n GLY 625 N 0.29 0.82 2.88 -0.77 0.00 0.30 -5.06 105.19 103.65 3i01 n GLY 625 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.71 0.01 0.93 1.61 -1.94 -1.23 -4.90 119.30 113.08 3i01 s MET 626 Ca 0.00 0.02 -0.13 0.00 -1.71 0.00 0.00 55.69 53.87 3i01 s MET 626 Cb 0.00 -0.00 0.15 0.00 2.01 0.00 0.00 34.83 36.99 3i01 s MET 626 CO 0.00 -0.01 1.14 0.95 -0.01 0.00 0.00 175.02 177.10 3i01 s THR 627 N 0.03 1.98 0.24 2.05 -4.23 -1.26 -3.43 115.64 111.02 3i01 s THR 627 Ca -0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.41 3i01 s THR 627 Cb -0.00 -2.75 0.29 0.00 1.34 0.00 0.00 72.50 71.38 3i01 s THR 627 CO -0.00 0.00 1.62 0.15 -0.54 0.00 0.00 174.62 175.85 3i01 h PHE 628 N -1.55 -0.24 -0.30 3.99 3.57 -1.78 -1.72 116.94 118.90 3i01 h PHE 628 Ca -0.50 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.09 3i01 h PHE 628 Cb 1.33 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 40.26 3i01 h PHE 628 CO 0.13 -0.29 0.12 0.77 -2.23 0.00 0.00 178.31 176.81 3i01 h SER 629 N 0.04 0.15 -0.46 0.41 0.02 -1.91 0.55 113.55 112.35 3i01 h SER 629 Ca 0.39 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.29 3i01 h SER 629 Cb 0.64 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3i01 h SER 629 CO -0.73 0.12 0.01 0.74 -1.14 0.00 0.00 176.83 175.84 3i01 h THR 630 N 0.26 1.26 -0.90 -2.27 2.02 -1.77 -1.73 112.91 109.79 3i01 h THR 630 Ca 0.13 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 3i01 h THR 630 Cb 0.08 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3i01 h THR 630 CO -0.12 0.36 0.52 -0.07 0.37 0.00 0.00 175.52 176.58 3i01 h LEU 631 N 0.65 1.10 -0.81 2.58 3.38 -1.02 -2.41 115.31 118.79 3i01 h LEU 631 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i01 h LEU 631 Cb 0.48 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3i01 h LEU 631 CO 0.02 0.86 0.52 0.00 0.09 0.00 0.00 178.44 179.93 3i01 h ALA 632 N 1.32 1.02 0.00 1.53 0.00 0.52 -1.18 119.26 122.48 3i01 h ALA 632 Ca 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3i01 h ALA 632 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3i01 h ALA 632 CO -0.06 0.45 -0.27 0.78 0.00 0.00 0.00 179.25 180.15 3i01 h GLY 633 N 1.09 0.00 1.30 0.00 0.00 -0.99 -1.41 103.07 103.07 3i01 h GLY 633 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.34 3i01 h GLY 633 CO -0.06 0.00 -1.17 1.98 0.00 0.00 0.00 176.54 177.29 3i01 h MET 634 N 0.00 0.59 0.00 4.80 -1.53 -0.93 -3.39 114.93 114.46 3i01 h MET 634 Ca -0.00 -0.74 -0.21 0.00 -3.44 0.00 0.00 59.70 55.30 3i01 h MET 634 Cb 0.66 0.24 -0.04 0.00 -0.55 0.00 0.00 31.60 31.91 3i01 h MET 634 CO 0.03 1.32 -1.67 0.44 0.14 0.00 0.00 176.91 177.18 3i01 n ILE 635 N -3.78 1.22 -1.21 1.77 -5.35 -0.50 -4.87 119.36 106.64 3i01 n ILE 635 Ca -0.12 -0.72 -0.15 0.00 -0.27 0.00 0.00 62.75 61.49 3i01 n ILE 635 Cb 0.95 -0.70 0.11 0.00 -1.74 0.00 0.00 39.64 38.26 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 1.47 -1.78 2.22 3.28 0.00 -0.55 -4.20 105.19 105.64 3i01 n GLY 636 Ca -0.14 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 0.07 0.24 1.69 -0.02 0.00 -0.27 -3.60 105.19 103.30 3i01 n GLY 637 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.55 1.20 3.65 -0.02 0.00 -0.77 -4.51 105.19 104.18 3i01 n GLY 638 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3i01 n GLY 638 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i01 n THR 639 N -2.00 1.56 -2.75 2.61 -2.24 -1.24 -4.89 114.28 105.33 3i01 n THR 639 Ca 0.00 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 3i01 n THR 639 Cb 0.00 -1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 66.90 3i01 n THR 639 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 s GLN 640 N -1.18 4.34 -0.45 -0.78 0.00 -1.26 -4.69 119.66 115.64 3i01 s GLN 640 Ca 0.62 1.25 0.04 0.00 -0.00 0.00 0.00 55.36 57.27 3i01 s GLN 640 Cb -0.66 -3.58 0.17 0.00 0.00 0.00 0.00 33.01 28.94 3i01 s GLN 640 CO 0.57 -0.39 0.36 0.25 0.00 0.00 0.00 175.29 176.08 3i01 n THR 641 N 4.80 -0.87 -1.63 3.63 -2.24 -1.26 -5.10 114.28 111.61 3i01 n THR 641 Ca 0.08 -3.61 -0.55 0.00 -2.27 0.00 0.00 64.05 57.71 3i01 n THR 641 Cb 0.48 -1.72 -0.07 0.00 -2.10 0.00 0.00 70.33 66.93 3i01 n THR 641 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3i01 n PRO 642 N 2.71 1.06 0.00 -0.78 -0.02 -1.26 -1.62 135.00 135.10 3i01 n PRO 642 Ca 0.29 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3i01 n PRO 642 Cb 0.46 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3i01 n PRO 642 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i01 n GLY 643 N 3.04 0.43 2.88 -1.23 0.00 -0.15 -4.99 105.19 105.18 3i01 n GLY 643 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 3i01 n GLY 643 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i01 s PHE 644 N -2.00 -0.14 -0.19 1.61 0.40 -0.64 -0.18 117.98 116.85 3i01 s PHE 644 Ca 0.00 0.46 -0.15 0.00 -0.60 0.00 0.00 56.93 56.64 3i01 s PHE 644 Cb 0.00 -0.15 0.05 0.00 0.51 0.00 0.00 43.02 43.43 3i01 s PHE 644 CO 0.00 -0.18 0.48 1.41 0.70 0.00 0.00 175.22 177.63 3i01 s MET 645 N 1.41 0.54 0.11 0.44 1.75 -0.18 -4.67 119.30 118.70 3i01 s MET 645 Ca -0.06 0.74 -0.24 0.00 -1.25 0.00 0.00 55.69 54.87 3i01 s MET 645 Cb -0.12 0.20 -0.07 0.00 2.84 0.00 0.00 34.83 37.68 3i01 s MET 645 CO -0.05 -0.09 0.74 0.20 -0.65 0.00 0.00 175.02 175.16 3i01 s GLY 646 N 0.62 2.84 0.13 2.11 0.00 -1.26 -0.99 107.32 110.77 3i01 s GLY 646 Ca -0.03 0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.82 3i01 s GLY 646 CO -0.04 0.89 0.39 -0.26 0.00 0.00 0.00 173.10 174.07 3i01 s ILE 647 N -0.75 0.07 0.37 0.90 -4.36 -0.50 -4.82 121.20 112.12 3i01 s ILE 647 Ca 0.36 -0.71 -0.17 0.00 -0.26 0.00 0.00 60.65 59.87 3i01 s ILE 647 Cb -0.22 -1.27 -0.09 0.00 1.25 0.00 0.00 42.46 42.13 3i01 s ILE 647 CO 0.24 -0.33 0.82 -0.83 0.24 0.00 0.00 174.94 175.08 3i01 s GLY 648 N -2.83 2.31 0.39 6.27 0.00 -1.12 -1.77 107.32 110.56 3i01 s GLY 648 Ca 0.05 0.14 0.09 0.00 0.00 0.00 0.00 44.72 45.00 3i01 s GLY 648 CO -0.10 0.37 1.96 3.21 0.00 0.00 0.00 173.10 178.54 3i01 h ARG 649 N 2.00 0.62 0.00 2.90 3.08 -1.91 -2.64 114.38 118.42 3i01 h ARG 649 Ca -0.48 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.48 3i01 h ARG 649 Cb 1.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3i01 h ARG 649 CO 0.64 0.41 -0.24 1.79 -1.07 0.00 0.00 179.97 181.49 3i01 h THR 650 N 0.63 0.96 -1.06 2.04 1.35 -1.97 -2.32 112.91 112.54 3i01 h THR 650 Ca 0.31 -0.91 0.30 0.00 -0.55 0.00 0.00 66.41 65.56 3i01 h THR 650 Cb 0.37 1.52 -0.12 0.00 -1.73 0.00 0.00 68.15 68.19 3i01 h THR 650 CO -0.10 0.24 0.66 0.22 -0.25 0.00 0.00 175.52 176.29 3i01 h TYR 651 N 0.00 0.78 -0.02 4.73 3.20 -1.80 -2.56 116.97 121.30 3i01 h TYR 651 Ca -0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3i01 h TYR 651 Cb 0.50 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 3i01 h TYR 651 CO 0.00 -0.03 -0.09 0.82 -1.64 0.00 0.00 178.16 177.22 3i01 h ILE 652 N 0.38 1.08 -0.72 1.81 2.04 -1.58 -1.36 117.51 119.16 3i01 h ILE 652 Ca 0.67 -0.36 -0.31 0.00 1.00 0.00 0.00 64.86 65.86 3i01 h ILE 652 Cb 1.63 1.16 -0.19 0.00 -0.74 0.00 0.00 36.82 38.69 3i01 h ILE 652 CO -0.42 0.10 0.33 1.33 0.00 0.00 0.00 178.15 179.49 3i01 n VAL 653 N -4.42 2.92 -3.61 1.67 0.24 -0.97 -4.81 118.33 109.35 3i01 n VAL 653 Ca -0.02 -2.02 -0.30 0.00 -2.04 0.00 0.00 64.34 59.95 3i01 n VAL 653 Cb 0.18 -0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 32.12 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 -1.55 6.47 0.43 -1.34 0.15 -0.51 -4.99 113.70 112.36 3i01 s SER 654 Ca 0.53 0.58 0.23 0.00 0.70 0.00 0.00 55.95 57.99 3i01 s SER 654 Cb 0.44 -2.09 0.80 0.00 -1.71 0.00 0.00 66.02 63.47 3i01 s SER 654 CO 0.09 -0.01 1.77 0.11 1.20 0.00 0.00 173.24 176.40 3i01 h LYS 655 N 2.44 0.00 -0.28 5.44 1.57 -1.87 -2.65 116.57 121.23 3i01 h LYS 655 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3i01 h LYS 655 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3i01 h LYS 655 CO 0.70 0.23 0.00 1.63 -0.57 0.00 0.00 179.45 181.45 3i01 n LYS 656 N -3.33 1.53 -1.62 3.15 4.76 -1.26 -4.76 118.16 116.63 3i01 n LYS 656 Ca 0.01 -0.73 -0.43 0.00 -2.87 0.00 0.00 58.31 54.29 3i01 n LYS 656 Cb 0.47 -1.22 -0.03 0.00 -1.84 0.00 0.00 35.03 32.41 3i01 n LYS 656 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3i01 s PHE 657 N -1.70 1.18 -0.13 2.13 2.19 -1.00 -2.81 117.98 117.84 3i01 s PHE 657 Ca 0.13 0.59 -0.02 0.00 0.33 0.00 0.00 56.93 57.96 3i01 s PHE 657 Cb 0.07 -3.92 0.00 0.00 -1.31 0.00 0.00 43.02 37.87 3i01 s PHE 657 CO 0.08 -3.98 0.08 0.44 1.83 0.00 0.00 175.22 173.67 3i01 n ILE 658 N 7.77 -0.35 -0.16 3.12 -5.35 -1.26 -3.67 119.36 119.46 3i01 n ILE 658 Ca 0.30 -0.04 -0.10 0.00 -0.27 0.00 0.00 62.75 62.64 3i01 n ILE 658 Cb 0.45 -0.30 -0.00 0.00 -1.74 0.00 0.00 39.64 38.05 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 1.74 0.83 -0.04 7.28 4.64 -1.32 -1.22 113.55 125.46 3i01 h SER 659 Ca -0.08 -0.32 0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3i01 h SER 659 Cb 0.17 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3i01 h SER 659 CO 0.06 0.95 0.10 0.00 -0.87 0.00 0.00 176.83 177.06 3i01 h ALA 660 N 0.91 1.35 -0.32 5.18 0.00 -1.61 -0.87 119.26 123.88 3i01 h ALA 660 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i01 h ALA 660 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i01 h ALA 660 CO 0.03 -0.12 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 3i01 n ASP 661 N -3.38 2.86 0.00 0.00 8.00 -1.04 -5.01 116.55 117.98 3i01 n ASP 661 Ca -0.02 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3i01 n ASP 661 Cb 0.18 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 0.60 0.49 7.00 0.44 0.00 -0.33 -4.88 105.19 108.50 3i01 n GLY 662 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.48 -0.58 0.34 -0.02 0.00 -0.49 -3.70 105.19 99.26 3i01 n GLY 663 Ca 0.00 -1.12 0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 0.03 -0.12 -0.61 3.07 -1.88 -1.28 117.51 116.73 3i01 h ILE 664 Ca 0.00 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.42 3i01 h ILE 664 Cb 0.00 0.65 -0.01 0.00 -0.27 0.00 0.00 36.82 37.20 3i01 h ILE 664 CO 0.00 0.00 0.08 0.00 -1.05 0.00 0.00 178.15 177.18 3i01 h ALA 665 N 1.32 1.99 0.00 0.16 0.00 -1.97 -2.68 119.26 118.08 3i01 h ALA 665 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i01 h ALA 665 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i01 h ALA 665 CO -0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.12 3i01 h ARG 666 N 0.10 0.00 -6.28 0.00 2.47 -1.43 -3.33 114.38 105.92 3i01 h ARG 666 Ca 0.05 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.21 3i01 h ARG 666 Cb 0.07 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 3i01 h ARG 666 CO -0.01 0.12 0.79 0.42 0.56 0.00 0.00 179.97 181.86 3i01 s ILE 667 N -3.79 4.15 0.00 2.04 1.01 -1.01 -0.56 121.20 123.03 3i01 s ILE 667 Ca -0.00 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3i01 s ILE 667 Cb 0.11 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3i01 s ILE 667 CO 0.58 -0.04 0.20 1.33 0.00 0.00 0.00 174.94 177.01 3i01 n VAL 668 N 4.86 0.00 -3.66 2.92 0.24 -0.10 -4.84 118.33 117.76 3i01 n VAL 668 Ca 0.12 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.34 61.96 3i01 n VAL 668 Cb 0.45 1.15 -0.08 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.33 -0.81 0.01 6.34 -0.00 -1.25 -1.56 118.94 121.35 3i01 s TRP 669 Ca 0.00 1.78 -0.12 0.00 -0.00 0.00 0.00 56.10 57.76 3i01 s TRP 669 Cb 0.00 0.39 0.02 0.00 -0.00 0.00 0.00 33.47 33.87 3i01 s TRP 669 CO 0.00 -0.41 0.26 -1.64 -0.00 0.00 0.00 176.95 175.17 3i01 s MET 670 N 0.98 0.69 0.64 5.86 -1.94 -0.92 -1.89 119.30 122.71 3i01 s MET 670 Ca -0.05 -0.39 -0.17 0.00 -1.71 0.00 0.00 55.69 53.37 3i01 s MET 670 Cb -0.05 0.30 -0.01 0.00 2.01 0.00 0.00 34.83 37.07 3i01 s MET 670 CO -0.09 -0.20 1.15 -1.25 -0.01 0.00 0.00 175.02 174.62 3i01 s PRO 671 N -1.90 2.83 0.51 2.03 0.04 -1.26 -4.21 135.00 133.04 3i01 s PRO 671 Ca -0.10 1.58 0.26 0.00 0.04 0.00 0.00 61.00 62.78 3i01 s PRO 671 Cb -0.04 -1.94 1.39 0.00 0.04 0.00 0.00 34.50 33.95 3i01 s PRO 671 CO 0.00 -1.26 2.06 -0.22 0.04 0.00 0.00 177.00 177.62 3i01 h LYS 672 N 0.37 0.00 -0.56 4.56 3.64 -1.96 -0.78 116.57 121.83 3i01 h LYS 672 Ca -0.48 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 3i01 h LYS 672 Cb 1.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3i01 h LYS 672 CO 0.54 0.13 0.02 0.66 -2.27 0.00 0.00 179.45 178.53 3i01 h SER 673 N 0.00 0.92 -0.01 4.20 4.64 -2.00 -2.46 113.55 118.84 3i01 h SER 673 Ca -0.00 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3i01 h SER 673 Cb 0.33 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3i01 h SER 673 CO 0.02 0.97 -0.06 0.25 -0.87 0.00 0.00 176.83 177.13 3i01 h LEU 674 N 0.88 0.08 -0.77 5.97 6.46 -1.53 -1.20 115.31 125.19 3i01 h LEU 674 Ca 0.17 -0.66 0.09 0.00 -0.12 0.00 0.00 57.88 57.35 3i01 h LEU 674 Cb 0.49 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 3i01 h LEU 674 CO 0.02 0.73 -0.40 0.29 -0.62 0.00 0.00 178.44 178.46 3i01 n LYS 675 N -4.70 -0.28 0.11 1.25 5.02 -0.87 -1.56 118.16 117.13 3i01 n LYS 675 Ca -0.09 1.18 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 3i01 n LYS 675 Cb 0.36 -1.74 0.32 0.00 -0.02 0.00 0.00 35.03 33.95 3i01 n LYS 675 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3i01 h ASP 676 N 0.00 0.24 -0.38 4.39 3.32 -1.28 0.23 116.42 122.93 3i01 h ASP 676 Ca 0.18 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 3i01 h ASP 676 Cb 0.38 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3i01 h ASP 676 CO -0.74 0.49 -0.36 0.15 -1.72 0.00 0.00 179.24 177.06 3i01 h PHE 677 N 0.22 1.11 -0.34 4.55 3.57 -0.71 -3.26 116.94 122.07 3i01 h PHE 677 Ca 0.04 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3i01 h PHE 677 Cb 0.56 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3i01 h PHE 677 CO 0.01 1.15 0.00 1.28 -2.23 0.00 0.00 178.31 178.52 3i01 n LEU 678 N -4.06 3.02 -0.34 0.59 4.77 -0.60 -4.84 117.00 115.54 3i01 n LEU 678 Ca -0.02 -1.64 -0.10 0.00 -0.03 0.00 0.00 56.01 54.22 3i01 n LEU 678 Cb 0.53 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3i01 n LEU 678 CO 0.48 0.69 0.51 -0.74 -1.33 0.00 0.00 177.39 177.00 3i01 h HIS 679 N 3.10 -1.69 -0.46 -1.77 2.76 -0.59 -0.09 115.15 116.41 3i01 h HIS 679 Ca 0.00 0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 3i01 h HIS 679 Cb 0.79 0.85 -0.02 0.00 1.55 0.00 0.00 27.41 30.59 3i01 h HIS 679 CO 0.22 -0.40 0.04 -0.44 -1.30 0.00 0.00 177.93 176.05 3i01 h ASP 680 N -0.09 0.76 0.84 3.26 3.32 -1.87 0.91 116.42 123.55 3i01 h ASP 680 Ca 0.17 -0.28 -0.12 0.00 0.02 0.00 0.00 57.03 56.82 3i01 h ASP 680 Cb 0.48 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3i01 h ASP 680 CO -0.86 0.85 -0.55 -0.33 -1.72 0.00 0.00 179.24 176.63 3i01 h GLU 681 N 0.64 0.00 -0.07 3.56 5.08 -1.91 -3.13 114.58 118.75 3i01 h GLU 681 Ca 0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3i01 h GLU 681 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3i01 h GLU 681 CO 0.02 0.55 -0.08 0.35 -1.00 0.00 0.00 179.01 178.85 3i01 h PHE 682 N 0.00 0.22 -0.55 4.33 3.57 -0.49 -0.17 116.94 123.86 3i01 h PHE 682 Ca -0.01 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3i01 h PHE 682 Cb 1.12 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 3i01 h PHE 682 CO 0.00 0.64 0.36 0.28 -2.23 0.00 0.00 178.31 177.36 3i01 h VAL 683 N -0.26 0.99 -0.20 1.41 2.07 -0.90 -0.51 116.25 118.85 3i01 h VAL 683 Ca 0.01 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.18 3i01 h VAL 683 Cb 0.60 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3i01 h VAL 683 CO 0.02 0.09 -0.59 -0.09 0.02 0.00 0.00 177.57 177.03 3i01 h ARG 684 N 0.51 0.65 -0.08 1.57 2.43 -1.45 -2.19 114.38 115.82 3i01 h ARG 684 Ca 0.24 -0.43 -0.10 0.00 -0.81 0.00 0.00 59.98 58.87 3i01 h ARG 684 Cb 0.28 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3i01 h ARG 684 CO -0.06 1.05 -0.40 0.00 -1.51 0.00 0.00 179.97 179.04 3i01 h ARG 685 N 0.49 0.17 -0.34 0.20 2.47 -0.47 -2.63 114.38 114.27 3i01 h ARG 685 Ca 0.00 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 3i01 h ARG 685 Cb 1.16 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 3i01 h ARG 685 CO 0.12 0.55 0.11 0.77 0.56 0.00 0.00 179.97 182.07 3i01 h SER 686 N 0.14 0.50 -0.19 7.04 0.02 -0.84 -2.47 113.55 117.75 3i01 h SER 686 Ca 0.01 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3i01 h SER 686 Cb 0.78 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3i01 h SER 686 CO 0.06 0.57 0.04 0.58 -1.14 0.00 0.00 176.83 176.94 3i01 h VAL 687 N 0.40 0.92 0.00 2.27 2.07 -1.33 0.78 116.25 121.36 3i01 h VAL 687 Ca 0.11 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3i01 h VAL 687 Cb 0.25 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3i01 h VAL 687 CO -0.00 0.02 0.00 -0.33 0.02 0.00 0.00 177.57 177.28 3i01 h GLU 688 N 0.11 0.00 0.00 1.57 5.08 -1.23 -0.30 114.58 119.81 3i01 h GLU 688 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3i01 h GLU 688 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i01 h GLU 688 CO -0.11 0.00 -1.01 0.39 -1.00 0.00 0.00 179.01 177.28 3i01 n GLU 689 N -2.62 0.14 -2.49 2.33 -0.58 -0.95 -4.95 120.64 111.52 3i01 n GLU 689 Ca -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3i01 n GLU 689 Cb 0.13 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 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 1.44 0.96 0.00 0.62 0.00 -0.12 -4.96 105.19 103.13 3i01 n GLY 690 Ca 0.03 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.50 0.20 -0.77 0.99 4.77 0.22 -5.02 117.00 116.90 3i01 n LEU 691 Ca 0.00 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3i01 n LEU 691 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3i01 n LEU 691 CO 0.00 0.05 -0.20 0.61 -1.33 0.00 0.00 177.39 176.52 3i01 n GLY 692 N 1.60 -4.01 0.00 -0.72 0.00 -0.93 -4.23 105.19 96.90 3i01 n GLY 692 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.18 0.00 0.00 1.61 4.71 -1.26 -0.15 120.64 125.37 3i01 n GLU 693 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 3i01 n GLU 693 Cb 0.00 0.00 0.84 0.00 -1.01 0.00 0.00 31.44 31.27 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 0.00 0.00 -0.22 1.62 5.68 -1.26 -4.26 116.55 118.11 3i01 n ASP 694 Ca 0.00 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 3i01 n ASP 694 Cb 0.00 -0.11 0.12 0.00 -1.14 0.00 0.00 41.12 39.99 3i01 n ASP 694 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3i01 h PHE 695 N 0.00 0.48 0.00 2.11 3.57 -0.72 -2.15 116.94 120.23 3i01 h PHE 695 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i01 h PHE 695 Cb 0.10 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3i01 h PHE 695 CO 0.00 0.14 0.05 0.97 -2.23 0.00 0.00 178.31 177.25 3i01 h ILE 696 N 0.47 0.00 0.00 1.41 2.10 -1.85 0.25 117.51 119.89 3i01 h ILE 696 Ca 0.32 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.26 3i01 h ILE 696 Cb 0.38 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 3i01 h ILE 696 CO -0.29 0.00 -1.16 0.47 -1.08 0.00 0.00 178.15 176.09 3i01 n ASP 697 N -2.46 0.58 0.09 2.19 8.00 -0.81 -3.81 116.55 120.32 3i01 n ASP 697 Ca -0.02 -0.22 0.11 0.00 0.71 0.00 0.00 54.79 55.37 3i01 n ASP 697 Cb 0.10 0.96 0.45 0.00 -0.02 0.00 0.00 41.12 42.60 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 -2.01 0.15 -3.43 -1.24 5.02 0.87 -4.78 118.16 112.74 3i01 n LYS 698 Ca 0.01 0.34 -0.38 0.00 -2.02 0.00 0.00 58.31 56.26 3i01 n LYS 698 Cb 0.45 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.61 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 -3.21 5.22 0.76 -0.18 1.01 -1.19 -4.81 121.20 118.80 3i01 s ILE 699 Ca 0.06 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 3i01 s ILE 699 Cb 0.10 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.94 3i01 s ILE 699 CO 0.40 0.24 1.08 0.00 0.00 0.00 0.00 174.94 176.66 3i01 s ALA 700 N 1.50 2.35 0.00 9.38 0.00 -0.60 -4.85 121.76 129.53 3i01 s ALA 700 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3i01 s ALA 700 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3i01 s ALA 700 CO 0.08 -1.60 0.00 -0.40 0.00 0.00 0.00 175.76 173.84 3i01 n ASP 701 N -3.37 0.00 0.24 0.00 5.68 -1.26 -2.17 116.55 115.67 3i01 n ASP 701 Ca 0.08 -0.52 0.11 0.00 -0.50 0.00 0.00 54.79 53.96 3i01 n ASP 701 Cb 0.54 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.11 3i01 n ASP 701 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i01 h GLU 702 N 0.00 0.00 0.00 0.11 4.11 -1.76 0.90 114.58 117.94 3i01 h GLU 702 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 3i01 h GLU 702 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i01 h GLU 702 CO 0.00 0.18 -0.47 1.79 0.07 0.00 0.00 179.01 180.58 3i01 h THR 703 N 0.00 1.24 0.07 -1.06 1.35 -1.95 -3.29 112.91 109.26 3i01 h THR 703 Ca -0.00 -1.65 -0.33 0.00 -0.55 0.00 0.00 66.41 63.88 3i01 h THR 703 Cb 0.56 1.91 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 3i01 h THR 703 CO 0.02 0.46 -1.80 2.30 -0.25 0.00 0.00 175.52 176.25 3i01 n ILE 704 N -3.84 1.66 0.00 6.82 -6.64 -0.74 -5.09 119.36 111.53 3i01 n ILE 704 Ca -0.01 -0.42 0.00 0.00 -1.77 0.00 0.00 62.75 60.55 3i01 n ILE 704 Cb 0.51 -1.83 0.00 0.00 -1.44 0.00 0.00 39.64 36.88 3i01 n ILE 704 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3i01 n GLY 705 N 1.77 -0.98 0.00 3.28 0.00 0.23 -4.84 105.19 104.66 3i01 n GLY 705 Ca -0.34 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.17 0.21 -4.51 2.61 -2.24 -1.26 -4.13 114.28 104.78 3i01 n THR 706 Ca 0.00 -0.49 -0.24 0.00 -2.27 0.00 0.00 64.05 61.05 3i01 n THR 706 Cb 0.00 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.21 1.48 -0.00 4.28 -4.23 -1.26 -1.90 115.64 113.80 3i01 s THR 707 Ca 0.00 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.27 3i01 s THR 707 Cb 0.00 -2.86 -0.15 0.00 1.34 0.00 0.00 72.50 70.84 3i01 s THR 707 CO 0.00 -0.01 1.06 0.58 -0.54 0.00 0.00 174.62 175.72 3i01 h VAL 708 N 2.00 0.37 0.00 2.29 2.07 -1.93 -2.93 116.25 118.13 3i01 h VAL 708 Ca -0.42 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3i01 h VAL 708 Cb 1.24 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3i01 h VAL 708 CO 0.73 0.07 0.28 0.47 0.02 0.00 0.00 177.57 179.14 3i01 n ASP 709 N -5.20 0.24 0.01 0.57 8.00 -1.26 -0.64 116.55 118.26 3i01 n ASP 709 Ca -0.10 0.47 -0.18 0.00 0.71 0.00 0.00 54.79 55.70 3i01 n ASP 709 Cb 0.29 -0.43 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 3i01 n ASP 709 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3i01 h GLU 710 N 0.00 0.21 0.00 -1.24 5.08 -1.93 -3.40 114.58 113.30 3i01 h GLU 710 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3i01 h GLU 710 Cb 0.55 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3i01 h GLU 710 CO 0.00 1.04 -1.39 0.44 -1.00 0.00 0.00 179.01 178.10 3i01 n ILE 711 N -3.39 0.21 0.07 3.13 -5.35 0.18 -4.45 119.36 109.77 3i01 n ILE 711 Ca -0.26 -0.41 -0.13 0.00 -0.27 0.00 0.00 62.75 61.68 3i01 n ILE 711 Cb 1.05 0.03 -0.08 0.00 -1.74 0.00 0.00 39.64 38.90 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 -0.13 -0.43 7.28 5.85 -1.25 0.56 115.31 127.19 3i01 h LEU 712 Ca 0.00 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.62 3i01 h LEU 712 Cb 0.89 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 3i01 h LEU 712 CO 0.00 0.10 -0.42 -0.65 -0.34 0.00 0.00 178.44 177.13 3i01 h PRO 713 N -0.36 -0.29 -0.43 5.25 0.11 -1.82 0.18 132.00 134.64 3i01 h PRO 713 Ca -0.02 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.24 3i01 h PRO 713 Cb 0.30 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3i01 h PRO 713 CO 0.03 -0.20 0.32 -0.92 -0.21 0.00 0.00 178.00 177.02 3i01 h TYR 714 N -0.30 0.00 -0.03 0.65 3.20 -1.75 0.98 116.97 119.71 3i01 h TYR 714 Ca 0.15 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3i01 h TYR 714 Cb 0.58 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.85 3i01 h TYR 714 CO -0.62 0.00 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.50 3i01 h LEU 715 N 0.00 0.34 0.71 2.82 3.38 0.15 -1.71 115.31 121.00 3i01 h LEU 715 Ca 0.20 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 3i01 h LEU 715 Cb 0.84 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.49 3i01 h LEU 715 CO -0.00 0.99 -0.34 -0.33 0.09 0.00 0.00 178.44 178.85 3i01 h GLU 716 N -0.28 -0.92 -0.94 1.13 5.08 0.23 -1.64 114.58 117.25 3i01 h GLU 716 Ca -0.03 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.61 3i01 h GLU 716 Cb 1.01 0.21 -0.17 0.00 0.50 0.00 0.00 28.75 30.30 3i01 h GLU 716 CO 0.07 -0.59 -0.12 1.49 -1.00 0.00 0.00 179.01 178.86 3i01 h GLU 717 N -1.05 0.01 -0.12 2.33 4.81 0.88 0.33 114.58 121.77 3i01 h GLU 717 Ca -0.10 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3i01 h GLU 717 Cb 0.75 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3i01 h GLU 717 CO 0.16 0.01 0.00 1.63 -0.73 0.00 0.00 179.01 180.08 3i01 n LYS 718 N -5.53 1.67 -3.12 1.92 4.76 -0.64 -5.00 118.16 112.21 3i01 n LYS 718 Ca 0.18 -1.00 -0.19 0.00 -2.87 0.00 0.00 58.31 54.43 3i01 n LYS 718 Cb 0.57 -1.41 0.02 0.00 -1.84 0.00 0.00 35.03 32.38 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 1.12 -0.89 3.71 0.72 0.00 0.12 -4.86 105.19 105.10 3i01 n GLY 719 Ca 0.17 1.08 -0.35 0.00 0.00 0.00 0.00 46.02 46.91 3i01 n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i01 s HIS 720 N -1.96 3.37 -1.88 1.61 2.46 -1.07 -4.99 115.29 112.82 3i01 s HIS 720 Ca 0.27 0.27 0.05 0.00 0.47 0.00 0.00 55.06 56.12 3i01 s HIS 720 Cb -0.05 -2.14 0.32 0.00 -0.13 0.00 0.00 32.58 30.58 3i01 s HIS 720 CO 0.76 0.26 0.84 -0.35 -2.47 0.00 0.00 174.74 173.78 3i01 n PRO 721 N 3.54 0.15 0.09 2.88 -0.04 -1.26 -2.61 135.00 137.76 3i01 n PRO 721 Ca -0.16 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 3i01 n PRO 721 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 3i01 n PRO 721 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i01 h ALA 722 N 2.33 0.09 -0.37 0.55 0.00 -1.89 -2.55 119.26 117.41 3i01 h ALA 722 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 3i01 h ALA 722 Cb 0.01 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3i01 h ALA 722 CO 0.00 0.96 0.17 -0.07 0.00 0.00 0.00 179.25 180.31 3i01 h LEU 723 N 0.11 0.46 0.00 0.00 3.38 -1.68 -2.48 115.31 115.10 3i01 h LEU 723 Ca -0.29 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3i01 h LEU 723 Cb 2.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 3i01 h LEU 723 CO 0.20 0.40 -1.15 0.71 0.09 0.00 0.00 178.44 178.69 3i01 h THR 724 N 0.52 0.45 -4.00 0.22 1.35 -1.69 -3.48 112.91 106.27 3i01 h THR 724 Ca 0.13 -1.81 -0.49 0.00 -0.55 0.00 0.00 66.41 63.69 3i01 h THR 724 Cb 0.07 1.99 0.18 0.00 -1.73 0.00 0.00 68.15 68.65 3i01 h THR 724 CO -0.02 0.26 0.20 -0.04 -0.25 0.00 0.00 175.52 175.67 3i01 s MET 725 N -3.02 0.84 1.05 4.72 -1.94 -0.93 -5.00 119.30 115.02 3i01 s MET 725 Ca -0.01 1.12 -0.15 0.00 -1.71 0.00 0.00 55.69 54.94 3i01 s MET 725 Cb 0.09 -1.74 0.12 0.00 2.01 0.00 0.00 34.83 35.30 3i01 s MET 725 CO 0.79 -2.61 0.41 -0.40 -0.01 0.00 0.00 175.02 173.20 3i01 n ASP 726 N -4.18 -1.92 -4.78 3.03 5.75 -1.26 -4.93 116.55 108.26 3i01 n ASP 726 Ca 0.08 0.07 -0.38 0.00 -0.01 0.00 0.00 54.79 54.56 3i01 n ASP 726 Cb 0.54 -1.14 -0.06 0.00 -1.03 0.00 0.00 41.12 39.42 3i01 n ASP 726 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3i01 s PRO 727 N -3.77 4.61 -0.16 0.11 0.04 -1.26 -4.98 135.00 129.58 3i01 s PRO 727 Ca 0.59 1.31 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 3i01 s PRO 727 Cb -0.18 -2.91 -0.06 0.00 0.04 0.00 0.00 34.50 31.38 3i01 s PRO 727 CO 0.66 0.35 -0.31 1.51 0.04 0.00 0.00 177.00 179.25 3i01 n ILE 728 N 0.79 1.44 -0.28 0.56 3.06 -1.26 -5.15 119.36 118.51 3i01 n ILE 728 Ca 0.01 0.07 0.00 0.00 -2.50 0.00 0.00 62.75 60.32 3i01 n ILE 728 Cb 0.50 -2.16 0.00 0.00 0.54 0.00 0.00 39.64 38.51 3i01 n ILE 728 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28