#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p52 s ASP 3 N 0.00 1.88 0.26 4.52 1.47 -1.26 -4.84 116.67 118.70 1p52 s ASP 3 Ca 0.00 1.61 -0.03 0.00 1.18 0.00 0.00 52.55 55.30 1p52 s ASP 3 Cb 0.00 -2.29 0.33 0.00 -0.34 0.00 0.00 42.92 40.62 1p52 s ASP 3 CO 0.00 -3.66 1.82 -0.61 0.68 0.00 0.00 175.17 173.41 1p52 h GLN 4 N -2.25 0.97 -0.42 2.11 5.75 -2.05 -2.77 115.11 116.45 1p52 h GLN 4 Ca -0.56 -0.18 0.04 0.00 -0.15 0.00 0.00 58.65 57.81 1p52 h GLN 4 Cb 1.31 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 1p52 h GLN 4 CO 0.50 0.82 0.18 0.00 -2.65 0.00 0.00 178.83 177.68 1p52 h ALA 5 N 1.30 0.51 -0.57 3.38 0.00 -1.99 0.14 119.26 122.02 1p52 h ALA 5 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1p52 h ALA 5 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1p52 h ALA 5 CO -0.01 -0.20 0.36 1.15 0.00 0.00 0.00 179.25 180.55 1p52 h THR 6 N 0.37 1.16 -0.78 0.00 2.02 -1.87 -1.12 112.91 112.69 1p52 h THR 6 Ca 0.19 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1p52 h THR 6 Cb 0.13 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1p52 h THR 6 CO -0.16 0.16 0.40 -0.07 0.37 0.00 0.00 175.52 176.23 1p52 h LEU 7 N 0.77 1.00 0.22 2.58 3.38 -1.16 0.93 115.31 123.04 1p52 h LEU 7 Ca 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1p52 h LEU 7 Cb -0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1p52 h LEU 7 CO -0.04 0.83 -0.13 0.44 0.09 0.00 0.00 178.44 179.63 1p52 h ASP 8 N 1.09 -0.31 -0.74 -0.43 3.32 -0.52 0.18 116.42 119.01 1p52 h ASP 8 Ca 0.27 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.37 1p52 h ASP 8 Cb 0.08 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1p52 h ASP 8 CO -0.04 -0.21 0.49 0.11 -1.72 0.00 0.00 179.24 177.87 1p52 h LYS 9 N -0.33 0.88 -0.01 3.56 1.57 -0.87 0.20 116.57 121.57 1p52 h LYS 9 Ca -0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1p52 h LYS 9 Cb 0.27 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1p52 h LYS 9 CO 0.03 0.58 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.42 1p52 h LEU 10 N 0.91 0.02 -0.92 2.94 3.38 -0.34 1.25 115.31 122.54 1p52 h LEU 10 Ca 0.29 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1p52 h LEU 10 Cb 0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1p52 h LEU 10 CO -0.08 0.46 0.61 -0.33 0.09 0.00 0.00 178.44 179.18 1p52 h GLU 11 N -0.42 1.18 -0.30 1.13 4.39 -0.33 0.87 114.58 121.10 1p52 h GLU 11 Ca 0.00 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 1p52 h GLU 11 Cb 0.45 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1p52 h GLU 11 CO 0.00 0.78 -0.46 0.00 -1.16 0.00 0.00 179.01 178.17 1p52 h ALA 12 N 1.36 0.62 -0.17 3.43 0.00 -0.54 -0.34 119.26 123.63 1p52 h ALA 12 Ca 0.35 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1p52 h ALA 12 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1p52 h ALA 12 CO -0.09 0.68 0.06 0.78 0.00 0.00 0.00 179.25 180.67 1p52 h GLY 13 N 0.86 0.27 0.85 0.00 0.00 0.28 0.33 103.07 105.67 1p52 h GLY 13 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.24 1p52 h GLY 13 CO 0.10 0.15 0.47 -2.75 0.00 0.00 0.00 176.54 174.50 1p52 h PHE 14 N 0.10 0.87 0.31 5.60 3.57 0.78 -2.32 116.94 125.86 1p52 h PHE 14 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1p52 h PHE 14 Cb 0.20 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1p52 h PHE 14 CO -0.01 0.49 -0.36 -0.22 -2.23 0.00 0.00 178.31 175.99 1p52 h LYS 15 N 0.91 -0.65 -0.92 1.11 1.63 -0.61 -2.74 116.57 115.29 1p52 h LYS 15 Ca 0.30 0.04 0.26 0.00 -0.85 0.00 0.00 60.65 60.40 1p52 h LYS 15 Cb 0.03 0.15 -0.14 0.00 -0.60 0.00 0.00 32.23 31.67 1p52 h LYS 15 CO -0.12 -0.44 0.35 -0.22 -3.45 0.00 0.00 179.45 175.57 1p52 h LYS 16 N -0.68 0.26 -0.89 1.90 3.64 -0.72 0.20 116.57 120.28 1p52 h LYS 16 Ca -0.04 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1p52 h LYS 16 Cb 0.60 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1p52 h LYS 16 CO -0.07 0.17 0.59 -0.07 -2.27 0.00 0.00 179.45 177.80 1p52 h LEU 17 N 0.27 0.96 0.33 5.20 3.38 -1.13 -2.47 115.31 121.84 1p52 h LEU 17 Ca 0.60 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 1p52 h LEU 17 Cb 1.25 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1p52 h LEU 17 CO -0.63 0.66 -0.16 1.56 0.09 0.00 0.00 178.44 179.97 1p52 h GLN 18 N 1.12 -0.43 0.00 1.13 1.08 -0.37 -2.72 115.11 114.92 1p52 h GLN 18 Ca 0.35 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1p52 h GLN 18 Cb 0.02 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1p52 h GLN 18 CO -0.11 -0.13 0.00 0.39 -0.95 0.00 0.00 178.83 178.04 1p52 n GLU 19 N -5.17 0.09 -2.48 1.46 1.02 -0.97 -3.45 120.64 111.15 1p52 n GLU 19 Ca -0.10 0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 1p52 n GLU 19 Cb 0.26 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1p52 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1p52 n ALA 20 N -1.09 6.06 0.32 0.62 0.00 -0.95 -4.80 120.51 120.67 1p52 n ALA 20 Ca 0.02 -4.46 0.09 0.00 0.00 0.00 0.00 53.44 49.10 1p52 n ALA 20 Cb 0.02 -2.48 0.50 0.00 0.00 0.00 0.00 19.45 17.49 1p52 n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1p52 h SER 21 N 4.72 0.00 -0.41 0.00 4.64 -1.80 0.27 113.55 120.96 1p52 h SER 21 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1p52 h SER 21 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1p52 h SER 21 CO 1.35 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.78 1p52 n ASP 22 N -2.67 3.10 -4.71 4.97 8.00 -1.26 -4.98 116.55 119.00 1p52 n ASP 22 Ca -0.01 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.07 1p52 n ASP 22 Cb 0.59 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1p52 n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p52 n LYS 24 N 3.88 1.93 -2.52 0.00 5.02 -1.26 -4.92 118.16 120.29 1p52 n LYS 24 Ca 0.07 -2.75 -0.33 0.00 -2.02 0.00 0.00 58.31 53.28 1p52 n LYS 24 Cb 0.50 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1p52 n LYS 24 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p52 s SER 25 N -2.53 6.52 0.55 4.39 1.04 -1.24 -4.90 113.70 117.52 1p52 s SER 25 Ca 0.37 1.75 0.29 0.00 0.48 0.00 0.00 55.95 58.84 1p52 s SER 25 Cb 0.31 -2.54 1.58 0.00 0.10 0.00 0.00 66.02 65.48 1p52 s SER 25 CO 0.04 -0.66 2.12 -0.07 0.98 0.00 0.00 173.24 175.66 1p52 h LEU 26 N 1.35 0.00 0.17 2.42 3.38 -1.19 -1.42 115.31 120.02 1p52 h LEU 26 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1p52 h LEU 26 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1p52 h LEU 26 CO 0.60 0.08 -0.08 0.25 0.09 0.00 0.00 178.44 179.38 1p52 h LEU 27 N 0.00 -0.20 -0.22 1.67 5.85 -1.45 0.27 115.31 121.23 1p52 h LEU 27 Ca -0.00 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1p52 h LEU 27 Cb 0.26 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1p52 h LEU 27 CO 0.01 0.01 0.01 0.50 -0.34 0.00 0.00 178.44 178.63 1p52 h LYS 28 N -0.40 0.08 -0.67 1.25 1.63 -1.60 -1.51 116.57 115.34 1p52 h LYS 28 Ca -0.02 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1p52 h LYS 28 Cb 0.31 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1p52 h LYS 28 CO 0.04 0.05 0.40 -0.22 -3.45 0.00 0.00 179.45 176.27 1p52 h LYS 29 N 0.08 0.92 -0.02 1.90 3.64 -1.15 -3.30 116.57 118.64 1p52 h LYS 29 Ca 0.10 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1p52 h LYS 29 Cb 0.12 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1p52 h LYS 29 CO -0.16 0.66 -0.18 0.72 -2.27 0.00 0.00 179.45 178.22 1p52 n HIS 30 N -4.56 0.00 -2.92 1.91 8.25 0.07 -4.69 115.22 113.29 1p52 n HIS 30 Ca 0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.08 1p52 n HIS 30 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1p52 n HIS 30 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1p52 n LEU 31 N 0.70 5.72 -4.88 2.41 7.94 -0.58 -4.88 117.00 123.43 1p52 n LEU 31 Ca 0.11 -4.71 -0.31 0.00 -1.11 0.00 0.00 56.01 49.99 1p52 n LEU 31 Cb 0.49 -1.52 0.03 0.00 0.53 0.00 0.00 43.42 42.95 1p52 n LEU 31 CO 0.18 1.11 0.73 0.42 -1.11 0.00 0.00 177.39 178.72 1p52 s THR 32 N 0.20 4.18 0.45 1.96 -4.23 -1.26 -4.78 115.64 112.15 1p52 s THR 32 Ca 0.38 0.70 0.12 0.00 -1.18 0.00 0.00 61.69 61.71 1p52 s THR 32 Cb -0.01 -3.70 0.23 0.00 1.34 0.00 0.00 72.50 70.36 1p52 s THR 32 CO -0.00 -0.92 2.05 0.50 -0.54 0.00 0.00 174.62 175.70 1p52 h LYS 33 N -0.45 0.21 -0.21 3.99 3.64 -1.98 0.51 116.57 122.28 1p52 h LYS 33 Ca -0.44 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1p52 h LYS 33 Cb 1.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1p52 h LYS 33 CO 0.63 0.21 0.10 0.22 -2.27 0.00 0.00 179.45 178.34 1p52 h ASP 34 N 0.21 0.27 0.05 4.20 1.82 -1.99 0.30 116.42 121.29 1p52 h ASP 34 Ca 0.05 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1p52 h ASP 34 Cb 0.12 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1p52 h ASP 34 CO -0.00 0.32 -0.03 0.58 -1.61 0.00 0.00 179.24 178.51 1p52 h VAL 35 N 0.20 1.02 0.18 2.25 2.07 -1.59 -2.10 116.25 118.28 1p52 h VAL 35 Ca 0.07 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1p52 h VAL 35 Cb 0.13 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1p52 h VAL 35 CO -0.01 0.06 -0.33 0.15 0.02 0.00 0.00 177.57 177.46 1p52 h PHE 36 N -0.18 -0.95 -0.38 1.57 3.57 0.29 -2.35 116.94 118.52 1p52 h PHE 36 Ca -0.01 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1p52 h PHE 36 Cb 0.15 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1p52 h PHE 36 CO -0.04 -0.40 0.27 -0.44 -2.23 0.00 0.00 178.31 175.47 1p52 h ASP 37 N -0.55 0.04 0.35 0.41 3.32 -0.48 -0.32 116.42 119.19 1p52 h ASP 37 Ca -0.02 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1p52 h ASP 37 Cb 0.52 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1p52 h ASP 37 CO -0.12 0.02 -0.21 -1.28 -1.72 0.00 0.00 179.24 175.93 1p52 h SER 38 N 0.04 0.00 0.00 6.45 0.87 -0.83 -3.36 113.55 116.72 1p52 h SER 38 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1p52 h SER 38 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1p52 h SER 38 CO -0.01 0.21 -0.08 2.30 -0.53 0.00 0.00 176.83 178.72 1p52 n ILE 39 N -3.92 0.00 0.16 2.23 -5.35 -0.80 -4.83 119.36 106.86 1p52 n ILE 39 Ca -0.02 -0.25 0.19 0.00 -0.27 0.00 0.00 62.75 62.39 1p52 n ILE 39 Cb 0.29 0.90 0.75 0.00 -1.74 0.00 0.00 39.64 39.85 1p52 n ILE 39 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1p52 h LYS 40 N 0.00 0.00 -0.22 6.28 2.10 -1.23 0.11 116.57 123.61 1p52 h LYS 40 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1p52 h LYS 40 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1p52 h LYS 40 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1p52 n ASN 41 N -3.44 2.99 -4.82 7.07 4.13 -1.26 -4.71 115.26 115.21 1p52 n ASN 41 Ca 0.05 -1.93 -0.33 0.00 1.68 0.00 0.00 54.58 54.04 1p52 n ASN 41 Cb 0.57 -0.14 -0.07 0.00 -1.54 0.00 0.00 39.78 38.60 1p52 n ASN 41 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1p52 s LYS 42 N -1.73 4.24 -0.08 3.52 1.02 0.39 -4.61 119.74 122.50 1p52 s LYS 42 Ca 0.34 1.13 -0.05 0.00 0.02 0.00 0.00 55.97 57.41 1p52 s LYS 42 Cb 0.21 -2.20 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1p52 s LYS 42 CO 0.31 -0.02 0.20 0.21 -0.92 0.00 0.00 175.35 175.12 1p52 s LYS 43 N -3.14 0.19 0.79 1.68 2.20 -1.26 -4.20 119.74 116.00 1p52 s LYS 43 Ca 0.62 0.36 -0.11 0.00 -0.36 0.00 0.00 55.97 56.48 1p52 s LYS 43 Cb -0.09 -0.02 0.08 0.00 -1.51 0.00 0.00 37.83 36.28 1p52 s LYS 43 CO 0.13 -0.10 1.15 0.95 -0.36 0.00 0.00 175.35 177.13 1p52 s THR 44 N 0.66 2.05 0.50 3.43 -4.23 -0.02 -4.89 115.64 113.14 1p52 s THR 44 Ca -0.05 -0.05 0.35 0.00 -1.18 0.00 0.00 61.69 60.75 1p52 s THR 44 Cb -0.06 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.13 1p52 s THR 44 CO -0.04 0.00 2.05 1.23 -0.54 0.00 0.00 174.62 177.33 1p52 h GLY 45 N -0.97 0.00 -1.68 3.99 0.00 -1.98 0.35 103.07 102.78 1p52 h GLY 45 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1p52 h GLY 45 CO 0.65 0.00 0.00 1.03 0.00 0.00 0.00 176.54 178.22 1p52 n MET 46 N -2.83 3.03 -0.25 4.80 2.81 -1.26 -4.96 117.12 118.46 1p52 n MET 46 Ca -0.02 -2.76 0.00 0.00 -1.81 0.00 0.00 57.70 53.11 1p52 n MET 46 Cb 0.18 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1p52 n MET 46 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p52 n GLY 47 N -0.29 1.86 3.72 3.03 0.00 0.11 -5.01 105.19 108.61 1p52 n GLY 47 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1p52 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p52 n ALA 48 N -0.20 2.44 -2.65 4.61 0.00 -1.26 -4.63 120.51 118.82 1p52 n ALA 48 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 1p52 n ALA 48 Cb 0.00 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 16.91 1p52 n ALA 48 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1p52 s THR 49 N 0.55 1.60 0.49 0.00 -4.23 -1.26 -0.84 115.64 111.95 1p52 s THR 49 Ca 0.70 -1.92 0.26 0.00 -1.18 0.00 0.00 61.69 59.55 1p52 s THR 49 Cb -0.53 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.09 1p52 s THR 49 CO 0.41 0.00 2.14 0.25 -0.54 0.00 0.00 174.62 176.88 1p52 h LEU 50 N 1.44 0.00 -0.44 4.79 5.85 -1.85 -1.44 115.31 123.66 1p52 h LEU 50 Ca -0.43 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 1p52 h LEU 50 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1p52 h LEU 50 CO 0.74 0.08 -0.18 0.25 -0.34 0.00 0.00 178.44 178.99 1p52 h LEU 51 N 0.00 0.93 -1.95 2.25 5.85 -1.93 -1.16 115.31 119.30 1p52 h LEU 51 Ca -0.00 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1p52 h LEU 51 Cb 0.19 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1p52 h LEU 51 CO 0.01 1.11 -0.03 0.44 -0.34 0.00 0.00 178.44 179.63 1p52 h ASP 52 N 0.74 0.00 0.01 1.25 3.32 -1.66 0.29 116.42 120.37 1p52 h ASP 52 Ca 0.10 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1p52 h ASP 52 Cb 0.74 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1p52 h ASP 52 CO 0.06 0.03 -0.01 0.58 -1.72 0.00 0.00 179.24 178.18 1p52 h VAL 53 N 0.00 1.51 -0.00 -1.35 2.07 -1.15 -3.39 116.25 113.93 1p52 h VAL 53 Ca 0.00 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1p52 h VAL 53 Cb 0.05 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1p52 h VAL 53 CO 0.00 0.47 -0.67 2.30 0.02 0.00 0.00 177.57 179.69 1p52 n ILE 54 N -4.69 0.00 -0.26 4.57 -5.35 -0.49 -2.38 119.36 110.76 1p52 n ILE 54 Ca -0.09 -0.02 0.06 0.00 -0.27 0.00 0.00 62.75 62.43 1p52 n ILE 54 Cb 0.38 0.59 0.18 0.00 -1.74 0.00 0.00 39.64 39.05 1p52 n ILE 54 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1p52 h GLN 55 N 0.19 0.16 -0.84 6.28 4.15 -0.63 0.74 115.11 125.15 1p52 h GLN 55 Ca 0.00 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 1p52 h GLN 55 Cb 0.51 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 1p52 h GLN 55 CO 0.00 0.10 0.53 1.03 -1.93 0.00 0.00 178.83 178.57 1p52 h SER 56 N 0.16 0.87 0.59 -0.69 0.87 -1.77 -0.77 113.55 112.81 1p52 h SER 56 Ca 0.43 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.87 1p52 h SER 56 Cb 0.77 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1p52 h SER 56 CO -0.61 0.59 -0.58 1.23 -0.53 0.00 0.00 176.83 176.93 1p52 h GLY 57 N 1.02 0.00 0.68 5.77 0.00 0.13 -0.78 103.07 109.90 1p52 h GLY 57 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 1p52 h GLY 57 CO -0.13 0.00 -0.30 -2.08 0.00 0.00 0.00 176.54 174.03 1p52 h VAL 58 N 0.00 1.42 0.00 4.60 2.07 -0.46 -3.30 116.25 120.58 1p52 h VAL 58 Ca -0.01 -1.69 -0.11 0.00 0.82 0.00 0.00 66.70 65.71 1p52 h VAL 58 Cb 1.03 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1p52 h VAL 58 CO 0.08 0.49 -0.53 -0.33 0.02 0.00 0.00 177.57 177.29 1p52 h GLU 59 N -0.16 0.00 -3.29 1.57 4.39 -1.16 -3.37 114.58 112.56 1p52 h GLU 59 Ca -0.02 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.04 1p52 h GLU 59 Cb 0.94 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.19 1p52 h GLU 59 CO 0.06 0.53 -0.53 -0.80 -1.16 0.00 0.00 179.01 177.11 1p52 s ASN 60 N -6.73 4.76 0.61 1.42 0.01 -0.30 -4.93 114.94 109.77 1p52 s ASN 60 Ca -0.01 -3.37 0.34 0.00 -0.71 0.00 0.00 52.86 49.10 1p52 s ASN 60 Cb 0.12 -1.69 1.98 0.00 0.41 0.00 0.00 41.25 42.08 1p52 s ASN 60 CO 0.74 -0.19 2.29 -0.07 -1.51 0.00 0.00 177.10 178.35 1p52 h LEU 61 N 6.10 0.00 0.00 0.60 3.38 -1.74 -0.69 115.31 122.97 1p52 h LEU 61 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1p52 h LEU 61 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1p52 h LEU 61 CO 0.72 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.35 1p52 n ASP 62 N -3.64 0.00 -4.75 -0.43 5.75 -1.26 -4.43 116.55 107.79 1p52 n ASP 62 Ca -0.03 -1.60 -0.37 0.00 -0.01 0.00 0.00 54.79 52.78 1p52 n ASP 62 Cb 0.08 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.22 1p52 n ASP 62 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1p52 s SER 63 N -1.31 5.09 -0.10 -1.12 0.01 -0.27 -4.94 113.70 111.07 1p52 s SER 63 Ca 0.10 2.60 0.03 0.00 1.31 0.00 0.00 55.95 59.99 1p52 s SER 63 Cb 0.05 -2.62 -0.24 0.00 0.21 0.00 0.00 66.02 63.41 1p52 s SER 63 CO 0.08 -1.68 0.45 0.61 0.41 0.00 0.00 173.24 173.11 1p52 n GLY 64 N 0.72 -0.75 0.57 3.44 0.00 -1.26 -3.63 105.19 104.27 1p52 n GLY 64 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1p52 n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p52 n VAL 65 N -3.26 0.85 -0.22 1.61 0.31 -1.26 -1.27 118.33 115.09 1p52 n VAL 65 Ca -0.26 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1p52 n VAL 65 Cb 1.05 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 1p52 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p52 n GLY 66 N 2.54 0.66 3.16 2.92 0.00 -1.26 -1.28 105.19 111.92 1p52 n GLY 66 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1p52 n GLY 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p52 s ILE 67 N -2.49 0.66 0.07 -0.61 -4.36 -1.26 -1.54 121.20 111.67 1p52 s ILE 67 Ca 0.00 -1.90 -0.03 0.00 -0.26 0.00 0.00 60.65 58.45 1p52 s ILE 67 Cb 0.00 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 42.04 1p52 s ILE 67 CO 0.00 -0.87 0.05 -0.31 0.24 0.00 0.00 174.94 174.05 1p52 s TYR 68 N -3.58 0.44 -0.41 1.37 1.51 -1.00 -4.59 117.35 111.08 1p52 s TYR 68 Ca 0.11 -0.93 -0.15 0.00 -1.01 0.00 0.00 57.07 55.09 1p52 s TYR 68 Cb 0.05 -0.29 0.02 0.00 -0.11 0.00 0.00 41.96 41.63 1p52 s TYR 68 CO -0.05 -0.45 0.30 0.00 -1.11 0.00 0.00 175.55 174.25 1p52 s ALA 69 N -3.91 3.48 0.48 3.71 0.00 -0.35 -4.46 121.76 120.71 1p52 s ALA 69 Ca 0.08 -1.74 0.13 0.00 0.00 0.00 0.00 51.96 50.44 1p52 s ALA 69 Cb 0.07 -2.90 1.12 0.00 0.00 0.00 0.00 23.12 21.42 1p52 s ALA 69 CO -0.09 -1.47 2.10 -1.35 0.00 0.00 0.00 175.76 174.95 1p52 h PRO 70 N 8.64 0.14 -3.60 0.00 0.11 -1.87 -3.45 132.00 131.97 1p52 h PRO 70 Ca -0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1p52 h PRO 70 Cb 1.12 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.10 1p52 h PRO 70 CO 0.74 0.12 -0.11 0.16 -0.21 0.00 0.00 178.00 178.70 1p52 s ASP 71 N -6.96 -0.11 0.25 -2.05 3.84 -1.26 -3.37 116.67 107.00 1p52 s ASP 71 Ca -0.06 -0.82 -0.05 0.00 -0.00 0.00 0.00 52.55 51.63 1p52 s ASP 71 Cb 0.17 0.56 0.31 0.00 -1.38 0.00 0.00 42.92 42.59 1p52 s ASP 71 CO 0.69 -1.09 1.89 0.00 -0.00 0.00 0.00 175.17 176.67 1p52 h ALA 72 N 2.28 1.27 -0.92 2.11 0.00 -1.96 -2.38 119.26 119.66 1p52 h ALA 72 Ca -0.27 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.71 1p52 h ALA 72 Cb 1.25 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1p52 h ALA 72 CO 0.37 0.49 0.59 1.49 0.00 0.00 0.00 179.25 182.20 1p52 h GLU 73 N 1.19 0.85 -0.87 0.00 4.81 -1.98 -2.29 114.58 116.28 1p52 h GLU 73 Ca 0.38 -0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.80 1p52 h GLU 73 Cb 0.02 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 1p52 h GLU 73 CO -0.13 0.56 0.61 0.77 -0.73 0.00 0.00 179.01 180.09 1p52 h SER 74 N 0.87 0.13 -0.15 1.04 0.02 -1.83 -0.46 113.55 113.17 1p52 h SER 74 Ca 0.45 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.42 1p52 h SER 74 Cb 0.51 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1p52 h SER 74 CO -0.21 0.05 0.10 1.88 -1.14 0.00 0.00 176.83 177.51 1p52 h TYR 75 N 0.12 0.15 0.00 3.45 -1.99 -1.55 -0.86 116.97 116.29 1p52 h TYR 75 Ca 0.43 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.78 1p52 h TYR 75 Cb 1.50 -0.05 -0.07 0.00 2.00 0.00 0.00 36.73 40.11 1p52 h TYR 75 CO -0.00 0.09 -2.44 0.54 -0.00 0.00 0.00 178.16 176.35 1p52 n ARG 76 N -4.51 0.65 -0.16 4.88 1.74 -0.31 -3.14 116.66 115.81 1p52 n ARG 76 Ca -0.00 0.13 0.03 0.00 -0.77 0.00 0.00 57.85 57.24 1p52 n ARG 76 Cb 0.12 -1.51 0.31 0.00 -1.02 0.00 0.00 32.46 30.36 1p52 n ARG 76 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1p52 h THR 77 N 0.00 1.13 -0.28 0.55 2.02 -1.13 -1.22 112.91 113.98 1p52 h THR 77 Ca -0.57 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.19 1p52 h THR 77 Cb 1.91 0.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.45 1p52 h THR 77 CO -0.08 0.16 -0.12 0.49 0.37 0.00 0.00 175.52 176.33 1p52 n PHE 78 N -4.45 0.89 -0.31 3.16 3.01 -0.33 -4.78 117.46 114.64 1p52 n PHE 78 Ca 0.08 -1.49 0.13 0.00 1.01 0.00 0.00 57.45 57.17 1p52 n PHE 78 Cb 0.09 -0.43 0.31 0.00 -0.01 0.00 0.00 39.48 39.43 1p52 n PHE 78 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1p52 h GLY 79 N 1.04 1.56 0.44 1.37 0.00 -1.16 -0.46 103.07 105.85 1p52 h GLY 79 Ca 0.16 -0.19 0.15 0.00 0.00 0.00 0.00 47.33 47.45 1p52 h GLY 79 CO 0.31 -0.24 0.64 -2.55 0.00 0.00 0.00 176.54 174.69 1p52 h PRO 80 N 0.44 0.00 0.00 4.80 0.11 -1.86 0.58 132.00 136.07 1p52 h PRO 80 Ca 0.56 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 66.25 1p52 h PRO 80 Cb 1.04 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1p52 h PRO 80 CO -0.51 0.00 -2.42 -0.11 -0.21 0.00 0.00 178.00 174.75 1p52 n LEU 81 N -3.47 2.07 0.01 2.35 7.94 -0.26 -4.48 117.00 121.17 1p52 n LEU 81 Ca 0.10 0.21 -0.11 0.00 -1.11 0.00 0.00 56.01 55.11 1p52 n LEU 81 Cb 0.83 -0.78 -0.05 0.00 0.53 0.00 0.00 43.42 43.95 1p52 n LEU 81 CO 0.24 0.62 0.85 -0.26 -1.11 0.00 0.00 177.39 177.73 1p52 h PHE 82 N -0.72 -0.06 -0.37 1.96 -1.00 -0.54 -2.97 116.94 113.24 1p52 h PHE 82 Ca -0.63 0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.23 1p52 h PHE 82 Cb 1.63 0.04 -0.09 0.00 3.61 0.00 0.00 35.95 41.14 1p52 h PHE 82 CO -0.06 -0.04 -0.33 -0.44 -1.61 0.00 0.00 178.31 175.83 1p52 h ASP 83 N -0.02 -1.08 -0.27 2.17 3.32 -0.13 0.23 116.42 120.64 1p52 h ASP 83 Ca 0.04 0.19 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1p52 h ASP 83 Cb 0.07 0.50 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1p52 h ASP 83 CO -0.08 -0.32 -0.13 1.55 -1.72 0.00 0.00 179.24 178.54 1p52 h PRO 84 N -0.27 0.68 -0.51 3.56 0.13 -1.76 -0.72 132.00 133.12 1p52 h PRO 84 Ca 0.16 -0.22 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 1p52 h PRO 84 Cb 0.54 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 1p52 h PRO 84 CO -0.52 0.79 -0.00 0.82 -0.23 0.00 0.00 178.00 178.85 1p52 h ILE 85 N 0.62 1.26 -0.36 -3.56 2.04 -1.25 -1.09 117.51 115.18 1p52 h ILE 85 Ca 0.11 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 1p52 h ILE 85 Cb 0.58 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1p52 h ILE 85 CO 0.04 0.39 0.04 0.40 0.00 0.00 0.00 178.15 179.01 1p52 h ILE 86 N 0.77 1.25 -0.38 -0.67 2.04 -0.37 -0.34 117.51 119.80 1p52 h ILE 86 Ca 0.14 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1p52 h ILE 86 Cb 0.53 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1p52 h ILE 86 CO 0.03 0.30 0.15 -0.78 0.00 0.00 0.00 178.15 177.85 1p52 h ASP 87 N 0.44 0.19 0.90 1.72 3.58 -0.98 -1.56 116.42 120.71 1p52 h ASP 87 Ca 0.11 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 1p52 h ASP 87 Cb 0.39 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1p52 h ASP 87 CO 0.01 0.15 -0.43 -0.78 -2.88 0.00 0.00 179.24 175.30 1p52 h ASP 88 N 0.32 -1.03 -0.15 2.28 1.82 -1.01 0.86 116.42 119.52 1p52 h ASP 88 Ca 0.17 0.04 0.05 0.00 -0.39 0.00 0.00 57.03 56.89 1p52 h ASP 88 Cb 0.13 0.27 -0.05 0.00 0.68 0.00 0.00 39.33 40.35 1p52 h ASP 88 CO -0.16 -0.69 -0.17 0.22 -1.61 0.00 0.00 179.24 176.84 1p52 h TYR 89 N -1.31 -0.42 0.00 0.28 3.20 -1.00 -2.29 116.97 115.43 1p52 h TYR 89 Ca -0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1p52 h TYR 89 Cb 0.93 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1p52 h TYR 89 CO 0.00 -0.24 0.00 0.72 -1.64 0.00 0.00 178.16 177.01 1p52 n HIS 90 N -5.31 0.00 -2.65 -3.82 8.25 -0.59 -4.78 115.22 106.31 1p52 n HIS 90 Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 1p52 n HIS 90 Cb 0.23 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.36 1p52 n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1p52 n GLY 91 N 0.42 -0.15 0.00 -1.41 0.00 -0.86 -4.80 105.19 98.39 1p52 n GLY 91 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1p52 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p52 n GLY 92 N -1.22 2.35 2.98 -0.02 0.00 0.28 -5.04 105.19 104.52 1p52 n GLY 92 Ca -0.10 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1p52 n GLY 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p52 s PHE 93 N 0.00 -1.12 0.99 1.61 5.36 -1.25 -4.94 117.98 118.63 1p52 s PHE 93 Ca 0.00 -0.30 -0.11 0.00 -0.96 0.00 0.00 56.93 55.56 1p52 s PHE 93 Cb 0.00 0.02 0.18 0.00 -0.34 0.00 0.00 43.02 42.88 1p52 s PHE 93 CO 0.00 -1.11 1.04 1.63 -1.46 0.00 0.00 175.22 175.33 1p52 n LYS 94 N 4.14 -0.98 0.19 10.12 5.02 -1.26 -4.28 118.16 131.11 1p52 n LYS 94 Ca 0.13 -0.23 0.10 0.00 -2.02 0.00 0.00 58.31 56.28 1p52 n LYS 94 Cb 0.52 -2.28 0.63 0.00 -0.02 0.00 0.00 35.03 33.88 1p52 n LYS 94 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1p52 h LEU 95 N -2.09 0.05 -0.50 -0.35 3.38 -2.01 -1.56 115.31 112.22 1p52 h LEU 95 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1p52 h LEU 95 Cb 1.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1p52 h LEU 95 CO 0.42 0.03 -0.40 0.35 0.09 0.00 0.00 178.44 178.94 1p52 n THR 96 N -4.51 0.00 -1.76 0.22 -2.24 -1.26 -4.96 114.28 99.77 1p52 n THR 96 Ca -0.00 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 1p52 n THR 96 Cb 0.17 0.62 0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1p52 n THR 96 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1p52 s ASP 97 N -2.61 5.64 -0.01 3.42 1.01 -0.59 -5.07 116.67 118.46 1p52 s ASP 97 Ca 0.20 1.64 0.01 0.00 0.71 0.00 0.00 52.55 55.10 1p52 s ASP 97 Cb 0.18 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1p52 s ASP 97 CO 0.59 -1.27 -0.02 -0.54 0.21 0.00 0.00 175.17 174.14 1p52 s LYS 98 N -4.78 0.19 0.22 8.23 1.02 -1.26 -4.91 119.74 118.45 1p52 s LYS 98 Ca 0.59 -0.05 -0.30 0.00 0.02 0.00 0.00 55.97 56.23 1p52 s LYS 98 Cb -0.14 -0.22 -0.10 0.00 -0.52 0.00 0.00 37.83 36.85 1p52 s LYS 98 CO 0.49 0.01 1.41 -1.58 -0.92 0.00 0.00 175.35 174.76 1p52 s HIS 99 N 0.15 3.11 0.84 3.18 5.65 0.03 -4.91 115.29 123.33 1p52 s HIS 99 Ca -0.01 1.04 -0.11 0.00 0.25 0.00 0.00 55.06 56.24 1p52 s HIS 99 Cb -0.03 -3.75 0.10 0.00 -1.18 0.00 0.00 32.58 27.71 1p52 s HIS 99 CO -0.00 -2.48 1.11 -1.25 -0.65 0.00 0.00 174.74 171.46 1p52 s PRO 100 N -0.06 1.65 0.72 2.88 0.04 -1.26 -4.76 135.00 134.20 1p52 s PRO 100 Ca 0.60 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 1p52 s PRO 100 Cb -0.40 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1p52 s PRO 100 CO 0.40 -2.09 1.16 -2.30 0.04 0.00 0.00 177.00 174.21 1p52 n PRO 101 N -3.83 0.64 -1.67 0.56 -0.02 -1.26 -4.86 135.00 124.55 1p52 n PRO 101 Ca 0.09 0.28 -0.46 0.00 -2.02 0.00 0.00 63.50 61.40 1p52 n PRO 101 Cb 0.53 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1p52 n PRO 101 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1p52 n LYS 102 N -2.28 2.19 -3.43 -0.52 0.00 -1.26 -4.88 118.16 107.98 1p52 n LYS 102 Ca 0.14 0.79 -0.18 0.00 0.00 0.00 0.00 58.31 59.06 1p52 n LYS 102 Cb 0.49 -2.57 -0.11 0.00 0.00 0.00 0.00 35.03 32.85 1p52 n LYS 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1p52 s GLN 103 N 1.06 0.28 0.37 1.64 2.00 -1.26 -5.01 119.66 118.74 1p52 s GLN 103 Ca 0.79 -0.06 0.17 0.00 -2.00 0.00 0.00 55.36 54.26 1p52 s GLN 103 Cb -0.67 -0.82 0.68 0.00 0.80 0.00 0.00 33.01 33.01 1p52 s GLN 103 CO 0.38 -0.92 1.75 -1.49 -0.50 0.00 0.00 175.29 174.51 1p52 h TRP 104 N 8.28 0.00 0.00 1.67 -0.00 -1.94 -2.03 115.95 121.93 1p52 h TRP 104 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.74 1p52 h TRP 104 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.25 1p52 h TRP 104 CO 0.24 0.40 0.00 0.41 -0.00 0.00 0.00 178.44 179.49 1p52 n GLY 105 N 0.05 -2.31 3.55 1.49 0.00 -1.26 -3.81 105.19 102.90 1p52 n GLY 105 Ca -0.01 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1p52 n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p52 s ASP 106 N -2.33 6.11 0.59 1.61 3.68 -1.26 -4.86 116.67 120.21 1p52 s ASP 106 Ca 0.00 -0.33 0.29 0.00 2.13 0.00 0.00 52.55 54.64 1p52 s ASP 106 Cb 0.00 -2.56 1.78 0.00 -1.45 0.00 0.00 42.92 40.69 1p52 s ASP 106 CO 0.00 -1.85 2.24 0.40 0.13 0.00 0.00 175.17 176.08 1p52 h ILE 107 N 6.11 0.55 0.00 4.11 2.04 -2.00 -1.87 117.51 126.46 1p52 h ILE 107 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1p52 h ILE 107 Cb 1.06 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1p52 h ILE 107 CO 1.27 0.00 0.00 0.78 0.00 0.00 0.00 178.15 180.20 1p52 h ASN 108 N 0.00 0.00 1.05 1.72 2.35 -1.98 -2.82 115.58 115.90 1p52 h ASN 108 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1p52 h ASN 108 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1p52 h ASN 108 CO -0.00 0.00 -0.13 0.35 -1.65 0.00 0.00 177.43 176.00 1p52 n THR 109 N -2.52 0.20 -2.63 2.81 -2.24 -0.70 -4.85 114.28 104.34 1p52 n THR 109 Ca 0.01 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 1p52 n THR 109 Cb 0.19 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 1p52 n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p52 s LEU 110 N -3.55 3.82 0.39 3.22 1.43 -1.07 -5.07 118.68 117.86 1p52 s LEU 110 Ca 0.12 1.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 1p52 s LEU 110 Cb 0.16 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1p52 s LEU 110 CO 0.59 -0.52 0.09 0.68 0.23 0.00 0.00 176.35 177.42 1p52 s VAL 111 N -2.27 0.85 0.20 -1.59 -7.23 -1.26 -4.75 120.40 104.34 1p52 s VAL 111 Ca 0.62 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 1p52 s VAL 111 Cb -0.11 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.27 1p52 s VAL 111 CO 0.20 0.00 1.33 -1.81 -0.31 0.00 0.00 175.10 174.51 1p52 s ASP 112 N -3.59 6.86 0.36 4.85 1.11 -1.26 -4.05 116.67 120.94 1p52 s ASP 112 Ca 0.26 2.43 0.19 0.00 0.18 0.00 0.00 52.55 55.62 1p52 s ASP 112 Cb 0.04 -2.61 0.21 0.00 1.07 0.00 0.00 42.92 41.63 1p52 s ASP 112 CO 0.14 -0.56 1.53 -0.07 1.18 0.00 0.00 175.17 177.39 1p52 h LEU 113 N 5.42 0.00 -5.00 1.23 3.38 -1.06 -3.42 115.31 115.86 1p52 h LEU 113 Ca -0.45 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.37 1p52 h LEU 113 Cb 1.21 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 1p52 h LEU 113 CO 0.78 0.23 -0.44 -0.67 0.09 0.00 0.00 178.44 178.43 1p52 n ASP 114 N -3.15 -3.01 -0.28 -0.43 2.03 -1.26 -4.79 116.55 105.65 1p52 n ASP 114 Ca 0.03 -2.85 0.06 0.00 0.52 0.00 0.00 54.79 52.55 1p52 n ASP 114 Cb 0.63 1.66 0.16 0.00 -0.72 0.00 0.00 41.12 42.84 1p52 n ASP 114 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1p52 h PRO 115 N 4.49 0.05 0.00 -0.67 0.11 -1.95 0.13 132.00 134.16 1p52 h PRO 115 Ca -0.03 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1p52 h PRO 115 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1p52 h PRO 115 CO 0.10 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 177.93 1p52 h ALA 116 N 1.80 1.00 -1.56 -0.75 0.00 -2.00 -3.47 119.26 114.28 1p52 h ALA 116 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.06 1p52 h ALA 116 Cb 0.78 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1p52 h ALA 116 CO -0.77 0.00 -0.34 0.41 0.00 0.00 0.00 179.25 178.55 1p52 n GLY 117 N 0.07 0.43 0.03 0.00 0.00 0.46 -4.92 105.19 101.26 1p52 n GLY 117 Ca 0.02 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1p52 n GLY 117 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p52 n GLN 118 N -2.47 0.26 -0.04 1.61 1.13 -1.26 -4.62 117.38 111.98 1p52 n GLN 118 Ca -0.16 0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 54.84 1p52 n GLN 118 Cb 0.58 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 1p52 n GLN 118 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1p52 n PHE 119 N -1.93 0.00 -2.97 1.08 3.01 -1.26 -4.90 117.46 110.49 1p52 n PHE 119 Ca 0.02 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.08 1p52 n PHE 119 Cb 0.43 -0.28 -0.05 0.00 -0.01 0.00 0.00 39.48 39.57 1p52 n PHE 119 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1p52 s ILE 120 N -2.15 4.85 -0.23 4.37 1.01 -1.26 -1.07 121.20 126.73 1p52 s ILE 120 Ca -0.10 1.63 -0.11 0.00 0.00 0.00 0.00 60.65 62.07 1p52 s ILE 120 Cb 0.03 -4.12 -0.18 0.00 0.01 0.00 0.00 42.46 38.21 1p52 s ILE 120 CO 0.16 0.30 -0.05 -0.38 0.00 0.00 0.00 174.94 174.97 1p52 n ILE 121 N 3.26 1.57 -3.55 2.92 5.41 0.20 -4.68 119.36 124.50 1p52 n ILE 121 Ca -0.01 -0.39 -0.13 0.00 1.00 0.00 0.00 62.75 63.22 1p52 n ILE 121 Cb 0.51 -1.79 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 1p52 n ILE 121 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1p52 s SER 122 N -7.03 -0.43 -0.01 4.38 1.04 -1.20 -1.02 113.70 109.43 1p52 s SER 122 Ca -0.32 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.20 1p52 s SER 122 Cb 0.10 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 1p52 s SER 122 CO 0.59 -0.81 -0.18 -0.89 0.98 0.00 0.00 173.24 172.93 1p52 s THR 123 N -3.04 1.44 -0.05 2.02 2.01 -0.61 -0.95 115.64 116.46 1p52 s THR 123 Ca -0.02 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 1p52 s THR 123 Cb -0.00 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.32 1p52 s THR 123 CO -0.07 0.41 0.17 -0.60 -0.69 0.00 0.00 174.62 173.85 1p52 s ARG 124 N -0.42 0.30 -0.03 4.92 3.52 0.15 -2.11 118.95 125.28 1p52 s ARG 124 Ca 0.07 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.74 1p52 s ARG 124 Cb -0.07 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.47 1p52 s ARG 124 CO -0.01 -0.05 -0.02 0.08 -0.81 0.00 0.00 175.30 174.49 1p52 s VAL 125 N -0.33 0.29 0.11 7.11 1.01 -0.09 0.20 120.40 128.71 1p52 s VAL 125 Ca -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1p52 s VAL 125 Cb -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1p52 s VAL 125 CO 0.01 0.16 -0.08 0.00 0.00 0.00 0.00 175.10 175.18 1p52 s ARG 126 N 0.79 0.87 0.20 2.72 1.04 -0.91 -1.17 118.95 122.50 1p52 s ARG 126 Ca -0.09 -1.29 0.03 0.00 -1.04 0.00 0.00 55.73 53.34 1p52 s ARG 126 Cb -0.12 -0.38 -0.05 0.00 -2.04 0.00 0.00 34.95 32.36 1p52 s ARG 126 CO -0.01 0.03 -0.02 0.00 -0.04 0.00 0.00 175.30 175.26 1p52 s GLY 128 N -3.24 1.13 -0.01 0.00 0.00 -1.22 -0.66 107.32 103.32 1p52 s GLY 128 Ca 0.25 -1.17 -0.06 0.00 0.00 0.00 0.00 44.72 43.74 1p52 s GLY 128 CO 0.06 -1.17 0.13 0.50 0.00 0.00 0.00 173.10 172.62 1p52 s ARG 129 N -1.81 0.40 -0.06 2.90 1.81 -0.31 -4.87 118.95 117.02 1p52 s ARG 129 Ca 0.04 -0.27 0.04 0.00 -1.72 0.00 0.00 55.73 53.82 1p52 s ARG 129 Cb -0.10 0.17 -0.02 0.00 -0.45 0.00 0.00 34.95 34.55 1p52 s ARG 129 CO 0.04 -0.09 -0.18 -1.12 -0.68 0.00 0.00 175.30 173.26 1p52 s SER 130 N -1.05 3.66 0.01 0.23 0.01 -1.25 -1.36 113.70 113.93 1p52 s SER 130 Ca -0.11 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1p52 s SER 130 Cb -0.06 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 1p52 s SER 130 CO 0.01 0.28 1.08 -0.76 0.41 0.00 0.00 173.24 174.26 1p52 s LEU 131 N -0.35 4.35 0.33 2.44 1.43 -1.26 -0.85 118.68 124.77 1p52 s LEU 131 Ca 0.03 1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 54.63 1p52 s LEU 131 Cb -0.12 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 1p52 s LEU 131 CO 0.02 -0.39 1.50 -1.10 0.23 0.00 0.00 176.35 176.61 1p52 s GLN 132 N 1.25 4.16 0.00 1.70 -0.21 -0.09 -1.87 119.66 124.60 1p52 s GLN 132 Ca 0.54 2.50 0.00 0.00 0.02 0.00 0.00 55.36 58.43 1p52 s GLN 132 Cb -0.24 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.76 1p52 s GLN 132 CO 0.27 -0.51 0.00 0.41 -2.12 0.00 0.00 175.29 173.33 1p52 n GLY 133 N 1.24 1.91 3.27 3.09 0.00 -1.26 -4.99 105.19 108.45 1p52 n GLY 133 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1p52 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p52 s TYR 134 N -2.51 2.28 0.92 1.61 1.51 -0.78 -5.14 117.35 115.24 1p52 s TYR 134 Ca 0.00 -0.57 -0.13 0.00 -1.01 0.00 0.00 57.07 55.37 1p52 s TYR 134 Cb 0.00 -1.48 0.20 0.00 -0.11 0.00 0.00 41.96 40.56 1p52 s TYR 134 CO 0.00 -0.13 1.26 -1.25 -1.11 0.00 0.00 175.55 174.32 1p52 s PRO 135 N -0.34 0.75 0.65 -1.71 0.04 -1.26 -4.72 135.00 128.41 1p52 s PRO 135 Ca 0.02 -0.63 -0.12 0.00 0.04 0.00 0.00 61.00 60.31 1p52 s PRO 135 Cb -0.12 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1p52 s PRO 135 CO 0.01 -2.28 1.05 -0.06 0.04 0.00 0.00 177.00 175.77 1p52 s PHE 136 N -3.75 3.20 0.06 0.56 2.99 -1.22 -4.76 117.98 115.07 1p52 s PHE 136 Ca 0.73 1.42 -0.09 0.00 0.00 0.00 0.00 56.93 58.99 1p52 s PHE 136 Cb -0.03 -2.87 0.00 0.00 0.00 0.00 0.00 43.02 40.12 1p52 s PHE 136 CO 0.51 -1.06 0.50 0.09 -0.00 0.00 0.00 175.22 175.26 1p52 n ASN 137 N -2.78 -0.31 0.30 1.36 3.02 -1.26 -1.09 115.26 114.50 1p52 n ASN 137 Ca 0.07 0.57 0.18 0.00 -0.03 0.00 0.00 54.58 55.38 1p52 n ASN 137 Cb 0.54 -0.09 0.93 0.00 -0.61 0.00 0.00 39.78 40.55 1p52 n ASN 137 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1p52 h PRO 138 N 0.00 0.00 -0.02 3.52 0.11 -1.78 -1.56 132.00 132.26 1p52 h PRO 138 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1p52 h PRO 138 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1p52 h PRO 138 CO -0.31 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 177.38 1p52 s LEU 140 N -1.87 4.45 0.41 0.00 1.43 -0.59 -4.94 118.68 117.57 1p52 s LEU 140 Ca 0.22 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 1p52 s LEU 140 Cb 0.17 -3.74 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 1p52 s LEU 140 CO 0.32 0.04 0.60 0.42 0.23 0.00 0.00 176.35 177.96 1p52 s THR 141 N -1.43 3.83 0.25 5.49 -4.23 -1.26 -4.98 115.64 113.30 1p52 s THR 141 Ca 0.45 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1p52 s THR 141 Cb -0.21 -3.37 0.24 0.00 1.34 0.00 0.00 72.50 70.50 1p52 s THR 141 CO 0.25 -0.21 1.89 0.00 -0.54 0.00 0.00 174.62 176.02 1p52 h ALA 142 N 0.57 1.26 -0.70 3.99 0.00 -1.98 -1.82 119.26 120.59 1p52 h ALA 142 Ca -0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1p52 h ALA 142 Cb 1.26 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1p52 h ALA 142 CO 0.54 0.46 0.28 1.49 0.00 0.00 0.00 179.25 182.03 1p52 h GLU 143 N 1.17 1.03 -0.41 0.00 4.57 -2.00 -2.52 114.58 116.42 1p52 h GLU 143 Ca 0.38 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 1p52 h GLU 143 Cb 0.04 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1p52 h GLU 143 CO -0.13 0.84 -0.11 1.96 -1.18 0.00 0.00 179.01 180.39 1p52 h GLN 144 N 1.01 0.73 -0.77 1.92 4.20 -1.73 -0.25 115.11 120.22 1p52 h GLN 144 Ca 0.24 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1p52 h GLN 144 Cb 0.19 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1p52 h GLN 144 CO -0.02 0.81 0.51 1.88 -0.67 0.00 0.00 178.83 181.34 1p52 h TYR 145 N 0.66 0.95 -0.37 2.96 -1.99 -1.04 -0.23 116.97 117.91 1p52 h TYR 145 Ca 0.12 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.81 1p52 h TYR 145 Cb 0.57 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 1p52 h TYR 145 CO 0.03 0.58 0.01 0.87 -0.00 0.00 0.00 178.16 179.65 1p52 h LYS 146 N 1.01 0.65 -0.05 4.88 1.57 -1.09 -1.42 116.57 122.12 1p52 h LYS 146 Ca 0.29 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1p52 h LYS 146 Cb -0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1p52 h LYS 146 CO -0.08 0.75 -0.12 0.93 -0.57 0.00 0.00 179.45 180.36 1p52 h GLU 147 N 0.47 -0.17 -0.65 3.15 5.08 -0.58 -1.03 114.58 120.86 1p52 h GLU 147 Ca 0.11 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1p52 h GLU 147 Cb 0.45 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1p52 h GLU 147 CO 0.02 -0.11 0.36 0.52 -1.00 0.00 0.00 179.01 178.79 1p52 h MET 148 N -0.17 0.91 -0.47 2.33 2.86 -1.00 -0.23 114.93 119.16 1p52 h MET 148 Ca 0.06 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1p52 h MET 148 Cb 0.25 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1p52 h MET 148 CO -0.15 0.68 0.27 1.49 1.06 0.00 0.00 176.91 180.27 1p52 h GLU 149 N 0.89 0.53 -0.22 1.72 4.81 -0.98 0.43 114.58 121.76 1p52 h GLU 149 Ca 0.23 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1p52 h GLU 149 Cb 0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1p52 h GLU 149 CO -0.04 0.35 0.12 1.49 -0.73 0.00 0.00 179.01 180.21 1p52 h GLU 150 N 0.55 0.31 -0.31 1.92 4.57 -0.72 -0.33 114.58 120.57 1p52 h GLU 150 Ca 0.19 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1p52 h GLU 150 Cb 0.02 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1p52 h GLU 150 CO -0.09 0.29 0.20 -0.22 -1.18 0.00 0.00 179.01 178.01 1p52 h LYS 151 N 0.25 0.41 -0.12 1.92 3.64 -0.66 -2.04 116.57 119.98 1p52 h LYS 151 Ca 0.08 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1p52 h LYS 151 Cb 0.07 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1p52 h LYS 151 CO -0.01 0.28 -0.18 0.28 -2.27 0.00 0.00 179.45 177.55 1p52 h VAL 152 N 0.41 1.37 -0.46 2.00 2.07 -0.84 -2.65 116.25 118.15 1p52 h VAL 152 Ca 0.11 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1p52 h VAL 152 Cb -0.04 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1p52 h VAL 152 CO -0.02 0.41 0.29 0.77 0.02 0.00 0.00 177.57 179.04 1p52 h SER 153 N -0.09 0.53 -0.29 0.57 4.64 -1.05 -0.99 113.55 116.87 1p52 h SER 153 Ca 0.01 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1p52 h SER 153 Cb 0.74 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1p52 h SER 153 CO 0.04 0.40 -0.32 0.28 -0.87 0.00 0.00 176.83 176.36 1p52 h SER 154 N 0.63 0.78 -0.55 4.97 0.02 -1.38 -2.70 113.55 115.33 1p52 h SER 154 Ca 0.17 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1p52 h SER 154 Cb -0.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1p52 h SER 154 CO -0.03 1.11 0.26 0.74 -1.14 0.00 0.00 176.83 177.76 1p52 h THR 155 N 0.48 1.20 0.00 -2.27 2.02 -1.02 -2.60 112.91 110.72 1p52 h THR 155 Ca 0.04 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 1p52 h THR 155 Cb 0.90 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1p52 h THR 155 CO 0.08 0.23 -0.08 -0.07 0.37 0.00 0.00 175.52 176.05 1p52 h LEU 156 N 0.74 0.00 0.00 2.58 3.38 -1.17 -1.89 115.31 118.96 1p52 h LEU 156 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1p52 h LEU 156 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1p52 h LEU 156 CO -0.02 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 1p52 n SER 157 N -3.35 0.00 -0.50 -0.43 3.41 -0.98 -1.76 113.62 110.02 1p52 n SER 157 Ca -0.01 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1p52 n SER 157 Cb 0.26 -0.48 0.24 0.00 -0.26 0.00 0.00 64.21 63.96 1p52 n SER 157 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p52 n SER 158 N -1.48 1.78 -4.76 4.04 3.41 -0.71 -4.94 113.62 110.95 1p52 n SER 158 Ca 0.03 -1.40 -0.38 0.00 -0.26 0.00 0.00 58.87 56.86 1p52 n SER 158 Cb 0.15 0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1p52 n SER 158 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1p52 s MET 159 N -2.31 3.62 0.30 4.33 1.00 -0.72 -5.02 119.30 120.50 1p52 s MET 159 Ca 0.26 2.01 0.06 0.00 0.00 0.00 0.00 55.69 58.03 1p52 s MET 159 Cb 0.19 -2.45 -0.06 0.00 0.00 0.00 0.00 34.83 32.51 1p52 s MET 159 CO 0.46 -0.73 -0.04 -1.21 0.00 0.00 0.00 175.02 173.50 1p52 s GLU 160 N -2.64 1.61 6.00 2.03 2.02 -1.26 -4.22 118.70 122.23 1p52 s GLU 160 Ca 0.64 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1p52 s GLU 160 Cb -0.35 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 32.71 1p52 s GLU 160 CO 0.42 0.01 0.00 -0.25 0.02 0.00 0.00 175.26 175.46 1p52 n ASP 161 N -0.64 0.00 0.19 -0.19 8.00 -1.26 -2.12 116.55 120.54 1p52 n ASP 161 Ca -0.05 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.58 1p52 n ASP 161 Cb 0.64 0.00 0.69 0.00 -0.02 0.00 0.00 41.12 42.43 1p52 n ASP 161 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1p52 h GLU 162 N 0.00 0.00 -0.05 -1.24 4.81 -2.05 -1.83 114.58 114.22 1p52 h GLU 162 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1p52 h GLU 162 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1p52 h GLU 162 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 1p52 n LEU 163 N -4.39 1.41 -4.73 1.64 4.77 -0.90 -4.86 117.00 109.93 1p52 n LEU 163 Ca 0.01 -0.50 -0.41 0.00 -0.03 0.00 0.00 56.01 55.07 1p52 n LEU 163 Cb 0.25 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1p52 n LEU 163 CO 0.34 0.25 0.97 -0.75 -1.33 0.00 0.00 177.39 176.87 1p52 s LYS 164 N -1.95 4.40 0.00 3.23 2.20 -0.69 -4.57 119.74 122.36 1p52 s LYS 164 Ca 0.37 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1p52 s LYS 164 Cb 0.20 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1p52 s LYS 164 CO 0.32 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 1p52 n GLY 165 N 2.62 2.09 3.22 5.54 0.00 -1.26 -4.15 105.19 113.25 1p52 n GLY 165 Ca 0.07 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1p52 n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p52 s THR 166 N -2.68 1.37 -0.14 2.61 2.01 -0.97 -4.86 115.64 112.97 1p52 s THR 166 Ca 0.00 -1.40 -0.15 0.00 0.31 0.00 0.00 61.69 60.45 1p52 s THR 166 Cb 0.00 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1p52 s THR 166 CO 0.00 -0.15 0.33 -0.47 -0.69 0.00 0.00 174.62 173.64 1p52 s TYR 167 N -1.22 3.48 -0.33 4.92 5.04 -1.26 -1.94 117.35 126.04 1p52 s TYR 167 Ca 0.02 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 55.34 1p52 s TYR 167 Cb -0.10 -2.37 0.09 0.00 0.35 0.00 0.00 41.96 39.93 1p52 s TYR 167 CO 0.03 0.25 0.04 0.71 -1.34 0.00 0.00 175.55 175.24 1p52 s TYR 168 N 0.40 3.66 0.56 4.97 1.51 0.33 -4.97 117.35 123.80 1p52 s TYR 168 Ca 0.19 -2.81 -0.21 0.00 -1.01 0.00 0.00 57.07 53.22 1p52 s TYR 168 Cb -0.13 -2.78 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 1p52 s TYR 168 CO 0.05 -0.94 1.34 -2.30 -1.11 0.00 0.00 175.55 172.60 1p52 n PRO 169 N 4.33 1.61 0.10 -1.71 -0.02 -1.26 -1.90 135.00 136.15 1p52 n PRO 169 Ca 0.00 0.60 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 1p52 n PRO 169 Cb 0.42 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 1p52 n PRO 169 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1p52 h LEU 170 N 1.32 0.54 -8.96 2.45 5.85 -1.06 -3.34 115.31 112.11 1p52 h LEU 170 Ca -0.51 -0.53 -0.57 0.00 0.84 0.00 0.00 57.88 57.12 1p52 h LEU 170 Cb 1.31 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1p52 h LEU 170 CO 0.56 1.38 1.22 -0.89 -0.34 0.00 0.00 178.44 180.37 1p52 s THR 171 N -2.85 3.54 0.00 1.05 2.01 -1.26 -1.35 115.64 116.78 1p52 s THR 171 Ca -0.05 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1p52 s THR 171 Cb 0.07 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1p52 s THR 171 CO 0.89 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 1p52 n GLY 172 N 5.09 0.60 3.77 4.40 0.00 -1.26 -5.07 105.19 112.72 1p52 n GLY 172 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1p52 n GLY 172 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p52 s MET 173 N -0.95 4.52 0.53 1.61 0.00 -0.46 -5.03 119.30 119.52 1p52 s MET 173 Ca 0.00 1.10 -0.21 0.00 0.00 0.00 0.00 55.69 56.58 1p52 s MET 173 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 34.83 31.49 1p52 s MET 173 CO 0.00 0.49 1.24 -1.54 0.00 0.00 0.00 175.02 175.21 1p52 s SER 174 N -0.82 5.59 0.38 1.11 1.04 -1.26 -4.86 113.70 114.87 1p52 s SER 174 Ca 0.36 2.49 0.07 0.00 0.48 0.00 0.00 55.95 59.34 1p52 s SER 174 Cb -0.22 -2.61 0.75 0.00 0.10 0.00 0.00 66.02 64.03 1p52 s SER 174 CO 0.25 -1.33 1.96 0.11 0.98 0.00 0.00 173.24 175.21 1p52 h LYS 175 N 1.52 0.47 -0.16 4.02 1.79 -1.98 -1.04 116.57 121.19 1p52 h LYS 175 Ca -0.50 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 57.87 1p52 h LYS 175 Cb 1.28 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 1p52 h LYS 175 CO 0.58 0.44 -0.01 0.00 -1.08 0.00 0.00 179.45 179.37 1p52 h ALA 176 N 1.63 0.22 -0.06 3.86 0.00 -1.99 -1.47 119.26 121.44 1p52 h ALA 176 Ca 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1p52 h ALA 176 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p52 h ALA 176 CO -0.00 -0.06 0.03 1.15 0.00 0.00 0.00 179.25 180.36 1p52 h THR 177 N 0.02 1.13 -0.18 0.00 2.02 -1.84 -1.42 112.91 112.65 1p52 h THR 177 Ca 0.04 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.88 1p52 h THR 177 Cb 0.40 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 1p52 h THR 177 CO 0.01 0.11 -0.13 -0.61 0.37 0.00 0.00 175.52 175.28 1p52 h GLN 178 N -0.04 -0.12 -0.65 6.66 4.15 -1.22 0.15 115.11 124.04 1p52 h GLN 178 Ca 0.02 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.51 1p52 h GLN 178 Cb 0.15 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1p52 h GLN 178 CO -0.00 -0.08 0.43 0.37 -1.93 0.00 0.00 178.83 177.61 1p52 h GLN 179 N -0.13 0.62 0.06 1.69 5.75 -1.14 -0.80 115.11 121.16 1p52 h GLN 179 Ca 0.11 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1p52 h GLN 179 Cb 0.29 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1p52 h GLN 179 CO -0.25 0.41 -0.03 0.37 -2.65 0.00 0.00 178.83 176.68 1p52 h GLN 180 N 0.64 -0.07 -0.66 1.69 4.15 -0.12 -0.72 115.11 120.02 1p52 h GLN 180 Ca 0.28 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.84 1p52 h GLN 180 Cb 0.28 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1p52 h GLN 180 CO -0.09 0.47 0.45 -0.07 -1.93 0.00 0.00 178.83 177.67 1p52 h LEU 181 N -0.68 0.27 0.01 -2.39 3.38 -0.36 0.37 115.31 115.91 1p52 h LEU 181 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1p52 h LEU 181 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1p52 h LEU 181 CO 0.01 0.15 -0.15 0.40 0.09 0.00 0.00 178.44 178.94 1p52 h ILE 182 N 0.30 1.62 -0.05 1.22 2.04 -1.13 0.51 117.51 122.02 1p52 h ILE 182 Ca 0.32 -2.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.15 1p52 h ILE 182 Cb 0.84 2.96 -0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1p52 h ILE 182 CO -0.08 0.54 0.01 0.44 0.00 0.00 0.00 178.15 179.06 1p52 h ASP 183 N -0.69 0.06 -0.00 1.72 3.32 -0.20 0.12 116.42 120.75 1p52 h ASP 183 Ca -0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1p52 h ASP 183 Cb 0.97 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1p52 h ASP 183 CO 0.03 0.06 0.00 0.47 -1.72 0.00 0.00 179.24 178.08 1p52 n ASP 184 N -4.51 0.02 -0.61 6.45 8.00 0.12 -4.89 116.55 121.14 1p52 n ASP 184 Ca -0.02 -1.06 -0.07 0.00 0.71 0.00 0.00 54.79 54.35 1p52 n ASP 184 Cb 0.10 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 1p52 n ASP 184 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1p52 n HIS 185 N -0.96 -0.08 -0.12 1.24 8.25 0.43 -4.94 115.22 119.05 1p52 n HIS 185 Ca 0.23 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.45 1p52 n HIS 185 Cb 0.11 -1.64 -0.11 0.00 1.12 0.00 0.00 29.99 29.47 1p52 n HIS 185 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1p52 n PHE 186 N -3.10 0.24 -3.89 4.41 0.99 -0.01 -4.99 117.46 111.11 1p52 n PHE 186 Ca -0.07 0.07 -0.34 0.00 -0.00 0.00 0.00 57.45 57.11 1p52 n PHE 186 Cb 0.32 -1.03 -0.05 0.00 -1.00 0.00 0.00 39.48 37.72 1p52 n PHE 186 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1p52 s LEU 187 N -7.09 4.37 0.46 4.37 2.96 -0.16 -4.98 118.68 118.61 1p52 s LEU 187 Ca -0.34 0.39 -0.24 0.00 -0.22 0.00 0.00 54.13 53.71 1p52 s LEU 187 Cb 0.11 -2.53 -0.07 0.00 0.50 0.00 0.00 46.19 44.19 1p52 s LEU 187 CO 0.58 0.29 1.27 0.72 -1.32 0.00 0.00 176.35 177.88 1p52 s PHE 188 N -1.27 2.69 0.91 5.38 -0.12 -1.26 -4.37 117.98 119.94 1p52 s PHE 188 Ca 0.25 1.44 -0.13 0.00 -0.05 0.00 0.00 56.93 58.44 1p52 s PHE 188 Cb -0.13 -3.61 0.14 0.00 -0.63 0.00 0.00 43.02 38.80 1p52 s PHE 188 CO 0.16 -2.11 1.18 -1.59 -0.05 0.00 0.00 175.22 172.81 1p52 s LYS 189 N -2.58 1.17 0.07 1.99 -2.85 -1.26 -4.92 119.74 111.36 1p52 s LYS 189 Ca 0.63 0.11 0.02 0.00 -1.00 0.00 0.00 55.97 55.73 1p52 s LYS 189 Cb -0.35 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 33.52 1p52 s LYS 189 CO 0.44 -2.14 0.13 -1.21 0.10 0.00 0.00 175.35 172.67 1p52 s GLU 190 N -5.47 3.12 -1.14 1.78 2.02 -1.26 -4.76 118.70 112.99 1p52 s GLU 190 Ca 0.65 -0.58 -0.10 0.00 0.02 0.00 0.00 54.97 54.96 1p52 s GLU 190 Cb -0.12 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 1p52 s GLU 190 CO 0.52 0.59 0.83 0.41 0.02 0.00 0.00 175.26 177.63 1p52 n GLY 191 N 0.41 -0.89 3.67 -1.39 0.00 -1.26 -4.97 105.19 100.77 1p52 n GLY 191 Ca -0.07 0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 1p52 n GLY 191 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p52 s ASP 192 N -3.66 7.07 0.40 1.61 -1.08 -1.26 -4.93 116.67 114.82 1p52 s ASP 192 Ca 0.36 1.56 0.08 0.00 -0.52 0.00 0.00 52.55 54.03 1p52 s ASP 192 Cb -0.09 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.68 1p52 s ASP 192 CO 0.80 -0.64 1.99 0.08 0.52 0.00 0.00 175.17 177.92 1p52 h ARG 193 N 7.60 0.59 -0.28 4.34 0.11 -1.99 0.20 114.38 124.95 1p52 h ARG 193 Ca -0.25 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.72 1p52 h ARG 193 Cb 1.10 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 1p52 h ARG 193 CO 0.94 0.39 -0.08 0.74 0.10 0.00 0.00 179.97 182.06 1p52 h PHE 194 N 0.60 0.63 -0.40 4.08 -1.00 -1.93 -2.28 116.94 116.64 1p52 h PHE 194 Ca 0.26 -0.14 -0.14 0.00 2.81 0.00 0.00 57.97 60.76 1p52 h PHE 194 Cb 0.25 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1p52 h PHE 194 CO -0.00 0.76 -0.29 -0.07 -1.61 0.00 0.00 178.31 177.11 1p52 h LEU 195 N 0.31 0.94 -0.14 1.54 3.38 -1.79 -3.13 115.31 116.41 1p52 h LEU 195 Ca 0.07 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1p52 h LEU 195 Cb 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1p52 h LEU 195 CO 0.03 1.18 0.02 1.56 0.09 0.00 0.00 178.44 181.31 1p52 h GLN 196 N 0.71 0.07 0.00 1.13 4.20 -0.60 -1.56 115.11 119.06 1p52 h GLN 196 Ca 0.08 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1p52 h GLN 196 Cb 0.87 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1p52 h GLN 196 CO 0.08 0.05 0.00 0.25 -0.67 0.00 0.00 178.83 178.53 1p52 n THR 197 N -5.10 0.77 0.06 -0.54 -2.24 -0.86 -0.89 114.28 105.49 1p52 n THR 197 Ca -0.04 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.04 1p52 n THR 197 Cb 0.07 -0.95 0.28 0.00 -2.10 0.00 0.00 70.33 67.63 1p52 n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p52 n ALA 198 N -1.37 2.41 -3.08 6.98 0.00 -0.66 -3.91 120.51 120.87 1p52 n ALA 198 Ca 0.05 -1.09 -0.22 0.00 0.00 0.00 0.00 53.44 52.18 1p52 n ALA 198 Cb 0.14 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.68 1p52 n ALA 198 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p52 n ASN 199 N 1.42 -5.55 -0.60 0.00 3.02 -0.07 -4.62 115.26 108.87 1p52 n ASN 199 Ca 0.21 -0.30 0.12 0.00 -0.03 0.00 0.00 54.58 54.59 1p52 n ASN 199 Cb 0.57 -4.50 0.24 0.00 -0.61 0.00 0.00 39.78 35.47 1p52 n ASN 199 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p52 n ALA 200 N -3.51 2.86 -1.13 5.41 0.00 -0.78 -3.56 120.51 119.80 1p52 n ALA 200 Ca -0.09 -0.56 0.07 0.00 0.00 0.00 0.00 53.44 52.86 1p52 n ALA 200 Cb 0.60 -0.96 0.20 0.00 0.00 0.00 0.00 19.45 19.30 1p52 n ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p52 n ARG 202 N -0.99 2.15 -1.06 0.00 1.74 -1.26 -2.59 116.66 114.65 1p52 n ARG 202 Ca 0.21 0.77 -0.02 0.00 -0.77 0.00 0.00 57.85 58.04 1p52 n ARG 202 Cb 0.80 -2.62 -0.01 0.00 -1.02 0.00 0.00 32.46 29.61 1p52 n ARG 202 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1p52 n TYR 203 N -0.37 0.00 -1.64 -1.55 4.02 -1.26 -4.90 117.16 111.46 1p52 n TYR 203 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.52 1p52 n TYR 203 Cb 0.42 -1.45 -0.01 0.00 -0.02 0.00 0.00 39.34 38.28 1p52 n TYR 203 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1p52 n TRP 204 N -2.40 1.78 0.02 -0.72 -0.00 -1.07 -1.09 117.44 113.97 1p52 n TRP 204 Ca -0.02 0.63 0.07 0.00 -0.00 0.00 0.00 57.50 58.17 1p52 n TRP 204 Cb 0.34 -2.33 0.25 0.00 -0.00 0.00 0.00 31.31 29.57 1p52 n TRP 204 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1p52 n PRO 205 N 0.64 2.95 -1.66 5.87 -0.04 -1.26 -5.12 135.00 136.38 1p52 n PRO 205 Ca 0.07 -2.02 -0.49 0.00 -0.04 0.00 0.00 63.50 61.02 1p52 n PRO 205 Cb 0.34 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 1p52 n PRO 205 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1p52 n THR 206 N 0.72 0.16 -0.96 0.52 -1.04 -0.25 -1.19 114.28 112.25 1p52 n THR 206 Ca 0.18 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1p52 n THR 206 Cb 0.67 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 1p52 n THR 206 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p52 n GLY 207 N 3.52 0.78 3.88 3.41 0.00 -1.26 -4.78 105.19 110.75 1p52 n GLY 207 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1p52 n GLY 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p52 s ARG 208 N -0.14 3.59 -0.09 1.61 3.00 -0.33 -4.42 118.95 122.16 1p52 s ARG 208 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 55.73 55.36 1p52 s ARG 208 Cb 0.00 -3.08 0.11 0.00 0.00 0.00 0.00 34.95 31.99 1p52 s ARG 208 CO 0.00 0.65 1.39 0.20 0.00 0.00 0.00 175.30 177.53 1p52 s GLY 209 N -1.69 -0.28 -0.02 -3.53 0.00 -0.84 -0.47 107.32 100.48 1p52 s GLY 209 Ca 0.28 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1p52 s GLY 209 CO 0.16 5.20 0.01 -1.50 0.00 0.00 0.00 173.10 176.96 1p52 s ILE 210 N -2.01 0.10 -0.03 0.90 2.07 -0.80 0.15 121.20 121.59 1p52 s ILE 210 Ca 0.28 0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 1p52 s ILE 210 Cb 0.02 -0.19 -0.04 0.00 0.13 0.00 0.00 42.46 42.38 1p52 s ILE 210 CO -0.04 0.11 0.11 0.12 -1.91 0.00 0.00 174.94 173.33 1p52 s PHE 211 N 0.84 3.39 -0.14 3.50 5.36 -0.05 -0.51 117.98 130.36 1p52 s PHE 211 Ca -0.08 0.30 -0.29 0.00 -0.96 0.00 0.00 56.93 55.90 1p52 s PHE 211 Cb -0.11 -1.80 0.10 0.00 -0.34 0.00 0.00 43.02 40.87 1p52 s PHE 211 CO -0.02 0.60 0.84 -3.38 -1.46 0.00 0.00 175.22 171.80 1p52 s HIS 212 N -1.16 -0.55 0.74 10.12 -3.43 -0.82 -0.22 115.29 119.98 1p52 s HIS 212 Ca 0.21 1.05 -0.11 0.00 -0.80 0.00 0.00 55.06 55.42 1p52 s HIS 212 Cb -0.12 0.40 0.04 0.00 -1.43 0.00 0.00 32.58 31.47 1p52 s HIS 212 CO 0.12 -0.44 1.08 0.54 -2.00 0.00 0.00 174.74 174.03 1p52 s ASN 213 N -0.80 4.91 0.47 7.38 4.22 -0.74 -2.29 114.94 128.09 1p52 s ASN 213 Ca -0.05 1.59 0.20 0.00 -2.14 0.00 0.00 52.86 52.46 1p52 s ASN 213 Cb -0.01 -2.39 1.20 0.00 1.28 0.00 0.00 41.25 41.32 1p52 s ASN 213 CO 0.04 -1.74 1.95 0.44 -2.04 0.00 0.00 177.10 175.74 1p52 h ASP 214 N -0.93 0.23 1.30 3.54 3.32 -1.92 0.24 116.42 122.21 1p52 h ASP 214 Ca -0.45 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1p52 h ASP 214 Cb 1.23 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1p52 h ASP 214 CO 0.56 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 1p52 h ALA 215 N 1.67 1.00 -3.83 3.45 0.00 -1.93 -3.47 119.26 116.15 1p52 h ALA 215 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.95 1p52 h ALA 215 Cb 0.95 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.81 1p52 h ALA 215 CO -0.07 0.00 -0.46 1.63 0.00 0.00 0.00 179.25 180.34 1p52 n LYS 216 N -2.48 -4.47 -0.00 0.00 5.02 0.83 -4.90 118.16 112.16 1p52 n LYS 216 Ca 0.04 0.64 0.08 0.00 -2.02 0.00 0.00 58.31 57.05 1p52 n LYS 216 Cb 0.38 -5.00 -0.11 0.00 -0.02 0.00 0.00 35.03 30.28 1p52 n LYS 216 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1p52 n THR 217 N -4.24 0.00 -3.91 -0.18 -2.24 -1.26 -4.80 114.28 97.65 1p52 n THR 217 Ca -0.05 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.21 1p52 n THR 217 Cb 0.57 0.53 -0.17 0.00 -2.10 0.00 0.00 70.33 69.16 1p52 n THR 217 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1p52 s PHE 218 N -2.88 1.33 0.05 4.78 5.36 -1.26 -1.29 117.98 124.07 1p52 s PHE 218 Ca -0.00 -0.62 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1p52 s PHE 218 Cb 0.11 -1.14 -0.03 0.00 -0.34 0.00 0.00 43.02 41.62 1p52 s PHE 218 CO 0.69 -0.47 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.42 1p52 s LEU 219 N 1.70 2.36 -0.16 6.12 1.02 -0.20 -1.79 118.68 127.74 1p52 s LEU 219 Ca 0.04 -0.74 -0.02 0.00 0.02 0.00 0.00 54.13 53.43 1p52 s LEU 219 Cb -0.13 0.01 0.05 0.00 0.02 0.00 0.00 46.19 46.14 1p52 s LEU 219 CO -0.07 -0.38 0.03 -0.69 0.02 0.00 0.00 176.35 175.26 1p52 s VAL 220 N -2.47 0.48 0.11 -1.59 1.01 0.70 -0.25 120.40 118.38 1p52 s VAL 220 Ca -0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1p52 s VAL 220 Cb -0.03 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 1p52 s VAL 220 CO -0.03 -0.08 1.01 0.26 0.00 0.00 0.00 175.10 176.26 1p52 s TRP 221 N 1.89 3.71 -0.19 5.22 0.51 0.02 -0.87 118.94 129.23 1p52 s TRP 221 Ca 0.01 1.70 -0.02 0.00 -2.12 0.00 0.00 56.10 55.67 1p52 s TRP 221 Cb -0.16 -3.14 -0.00 0.00 -0.81 0.00 0.00 33.47 29.36 1p52 s TRP 221 CO -0.07 -0.12 -0.10 0.08 -0.51 0.00 0.00 176.95 176.23 1p52 s VAL 222 N 0.16 2.99 -1.31 4.03 1.01 0.12 -2.04 120.40 125.36 1p52 s VAL 222 Ca 0.49 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1p52 s VAL 222 Cb -0.25 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1p52 s VAL 222 CO 0.31 0.47 0.31 0.59 0.00 0.00 0.00 175.10 176.78 1p52 n ASN 223 N 4.52 -5.11 0.00 3.32 3.02 -0.58 -1.98 115.26 118.44 1p52 n ASN 223 Ca -0.19 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1p52 n ASN 223 Cb 0.51 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.63 1p52 n ASN 223 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1p52 n GLU 224 N -3.08 0.00 -0.21 3.52 2.13 -1.26 -4.80 120.64 116.94 1p52 n GLU 224 Ca -0.13 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.61 1p52 n GLU 224 Cb 0.62 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.35 1p52 n GLU 224 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1p52 h GLU 225 N 0.00 0.93 -6.04 5.31 4.81 -1.95 -3.44 114.58 114.20 1p52 h GLU 225 Ca 0.00 -0.22 -0.60 0.00 -0.13 0.00 0.00 59.36 58.41 1p52 h GLU 225 Cb 0.00 -0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.13 1p52 h GLU 225 CO 0.00 0.85 -0.67 -0.51 -0.73 0.00 0.00 179.01 177.96 1p52 s ASP 226 N -6.25 3.95 0.20 1.04 1.01 -1.26 -4.66 116.67 110.71 1p52 s ASP 226 Ca -0.13 -1.04 -0.11 0.00 0.71 0.00 0.00 52.55 51.99 1p52 s ASP 226 Cb 0.13 -0.45 0.25 0.00 1.01 0.00 0.00 42.92 43.86 1p52 s ASP 226 CO 0.81 -0.16 1.73 0.45 0.21 0.00 0.00 175.17 178.21 1p52 h HIS 227 N 1.97 0.29 -3.92 4.23 3.86 -1.84 -3.29 115.15 116.45 1p52 h HIS 227 Ca -0.42 0.03 -0.31 0.00 -1.16 0.00 0.00 60.37 58.51 1p52 h HIS 227 Cb 1.25 -0.04 -0.26 0.00 1.06 0.00 0.00 27.41 29.41 1p52 h HIS 227 CO 0.74 0.05 -0.75 -0.51 0.86 0.00 0.00 177.93 178.32 1p52 s LEU 228 N -10.44 2.08 -0.14 2.43 1.02 -0.47 -1.53 118.68 111.64 1p52 s LEU 228 Ca -0.13 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 53.80 1p52 s LEU 228 Cb 0.17 -0.23 0.03 0.00 0.02 0.00 0.00 46.19 46.17 1p52 s LEU 228 CO 0.74 -0.01 -0.08 -0.13 0.02 0.00 0.00 176.35 176.88 1p52 s ARG 229 N -0.53 1.68 -0.26 1.70 1.81 -0.87 -1.16 118.95 121.32 1p52 s ARG 229 Ca -0.01 -0.40 -0.09 0.00 -1.72 0.00 0.00 55.73 53.51 1p52 s ARG 229 Cb -0.04 -1.83 -0.04 0.00 -0.45 0.00 0.00 34.95 32.59 1p52 s ARG 229 CO -0.00 -0.31 0.12 0.42 -0.68 0.00 0.00 175.30 174.85 1p52 s ILE 230 N 1.63 4.72 0.01 1.52 1.01 0.17 -0.80 121.20 129.47 1p52 s ILE 230 Ca 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1p52 s ILE 230 Cb -0.13 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1p52 s ILE 230 CO -0.09 0.31 -0.22 -0.63 0.00 0.00 0.00 174.94 174.31 1p52 s ILE 231 N 1.63 1.77 -0.07 2.92 1.01 0.65 -1.08 121.20 128.03 1p52 s ILE 231 Ca 0.07 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1p52 s ILE 231 Cb -0.15 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.83 1p52 s ILE 231 CO 0.06 0.39 -0.11 -0.55 0.00 0.00 0.00 174.94 174.73 1p52 s SER 232 N -0.80 1.76 0.12 3.58 0.15 -0.32 -1.03 113.70 117.16 1p52 s SER 232 Ca 0.09 -0.29 -0.25 0.00 0.70 0.00 0.00 55.95 56.20 1p52 s SER 232 Cb -0.09 -0.81 0.07 0.00 -1.71 0.00 0.00 66.02 63.49 1p52 s SER 232 CO 0.00 0.02 0.63 0.00 1.20 0.00 0.00 173.24 175.09 1p52 s MET 233 N 0.76 1.21 -0.08 5.44 0.23 -0.41 -0.91 119.30 125.54 1p52 s MET 233 Ca -0.13 -0.36 -0.32 0.00 -1.03 0.00 0.00 55.69 53.86 1p52 s MET 233 Cb -0.15 0.56 0.12 0.00 -1.53 0.00 0.00 34.83 33.82 1p52 s MET 233 CO 0.03 -0.51 1.12 1.14 -2.03 0.00 0.00 175.02 174.76 1p52 s GLN 234 N -3.34 0.53 0.81 3.16 -2.07 -0.90 -4.30 119.66 113.56 1p52 s GLN 234 Ca -0.00 -0.23 -0.11 0.00 -1.82 0.00 0.00 55.36 53.20 1p52 s GLN 234 Cb -0.01 0.22 0.08 0.00 -1.09 0.00 0.00 33.01 32.22 1p52 s GLN 234 CO -0.10 -0.24 1.12 0.15 -1.32 0.00 0.00 175.29 174.91 1p52 s LYS 235 N -2.68 1.84 0.47 9.60 -0.14 -1.26 -1.57 119.74 126.00 1p52 s LYS 235 Ca 0.09 1.38 0.00 0.00 -1.36 0.00 0.00 55.97 56.08 1p52 s LYS 235 Cb -0.00 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.32 1p52 s LYS 235 CO -0.05 -1.99 0.00 0.41 -0.76 0.00 0.00 175.35 172.96 1p52 n GLY 236 N -0.49 -1.92 0.53 -3.33 0.00 -0.19 -4.71 105.19 95.08 1p52 n GLY 236 Ca 0.11 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.44 1p52 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p52 n GLY 237 N -0.01 4.18 3.14 -0.02 0.00 -1.26 -2.50 105.19 108.71 1p52 n GLY 237 Ca 0.00 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1p52 n GLY 237 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p52 n ASP 238 N -0.93 4.23 -0.16 1.61 -0.08 -1.26 -0.30 116.55 119.65 1p52 n ASP 238 Ca 0.15 -2.86 0.07 0.00 -1.51 0.00 0.00 54.79 50.64 1p52 n ASP 238 Cb 0.73 -1.67 0.38 0.00 2.34 0.00 0.00 41.12 42.89 1p52 n ASP 238 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1p52 h LEU 239 N 11.58 0.61 0.12 -2.67 5.85 -1.92 -2.26 115.31 126.62 1p52 h LEU 239 Ca 0.50 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.24 1p52 h LEU 239 Cb 0.75 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1p52 h LEU 239 CO 1.69 0.40 -0.21 0.50 -0.34 0.00 0.00 178.44 180.47 1p52 h LYS 240 N 0.70 -0.38 -0.36 1.25 3.64 -1.86 0.12 116.57 119.68 1p52 h LYS 240 Ca 0.30 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1p52 h LYS 240 Cb 0.28 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1p52 h LYS 240 CO -0.10 -0.26 0.15 1.15 -2.27 0.00 0.00 179.45 178.13 1p52 h THR 241 N -0.40 1.18 -0.15 1.00 2.02 -1.87 -1.04 112.91 113.66 1p52 h THR 241 Ca 0.02 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.69 1p52 h THR 241 Cb 0.41 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1p52 h THR 241 CO -0.11 0.20 -0.11 0.58 0.37 0.00 0.00 175.52 176.46 1p52 h VAL 242 N 0.43 0.69 -0.24 3.16 2.07 -1.13 -1.41 116.25 119.82 1p52 h VAL 242 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1p52 h VAL 242 Cb 0.17 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1p52 h VAL 242 CO -0.01 0.00 0.13 0.22 0.02 0.00 0.00 177.57 177.92 1p52 h TYR 243 N -0.11 0.34 -0.55 1.57 3.20 -0.69 -2.17 116.97 118.56 1p52 h TYR 243 Ca 0.09 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1p52 h TYR 243 Cb 0.25 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 1p52 h TYR 243 CO -0.24 0.31 0.26 -0.22 -1.64 0.00 0.00 178.16 176.63 1p52 h LYS 244 N 0.27 0.49 -0.54 1.82 1.63 -0.97 0.88 116.57 120.15 1p52 h LYS 244 Ca 0.08 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1p52 h LYS 244 Cb 0.09 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 1p52 h LYS 244 CO -0.01 0.32 0.35 -0.09 -3.45 0.00 0.00 179.45 176.57 1p52 h ARG 245 N 0.50 0.68 -0.38 1.90 2.43 -1.07 0.17 114.38 118.61 1p52 h ARG 245 Ca 0.25 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1p52 h ARG 245 Cb 0.19 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1p52 h ARG 245 CO -0.19 0.45 0.22 1.25 -1.51 0.00 0.00 179.97 180.19 1p52 h LEU 246 N 0.70 0.47 -0.29 3.80 5.85 -0.69 -0.76 115.31 124.39 1p52 h LEU 246 Ca 0.20 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1p52 h LEU 246 Cb -0.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1p52 h LEU 246 CO -0.06 0.40 0.19 0.58 -0.34 0.00 0.00 178.44 179.21 1p52 h VAL 247 N 0.49 1.07 -0.14 1.05 2.07 -0.52 0.52 116.25 120.79 1p52 h VAL 247 Ca 0.14 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1p52 h VAL 247 Cb 0.03 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1p52 h VAL 247 CO -0.02 0.07 -0.05 0.74 0.02 0.00 0.00 177.57 178.33 1p52 h THR 248 N 0.39 0.83 -0.31 2.57 2.02 -0.70 -0.89 112.91 116.81 1p52 h THR 248 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1p52 h THR 248 Cb -0.04 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1p52 h THR 248 CO -0.03 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.04 1p52 h ALA 249 N 1.11 0.39 -0.44 6.16 0.00 -0.82 -2.15 119.26 123.52 1p52 h ALA 249 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1p52 h ALA 249 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1p52 h ALA 249 CO -0.16 -0.09 0.02 0.28 0.00 0.00 0.00 179.25 179.31 1p52 h VAL 250 N 0.38 1.26 -0.57 0.00 2.07 -0.73 -0.19 116.25 118.47 1p52 h VAL 250 Ca 0.11 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1p52 h VAL 250 Cb 0.04 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1p52 h VAL 250 CO -0.02 0.34 0.33 0.44 0.02 0.00 0.00 177.57 178.68 1p52 h ASP 251 N 0.61 0.51 0.05 0.57 3.32 -1.12 -0.26 116.42 120.10 1p52 h ASP 251 Ca 0.13 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1p52 h ASP 251 Cb 0.46 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1p52 h ASP 251 CO 0.02 0.35 -0.02 -1.13 -1.72 0.00 0.00 179.24 176.74 1p52 h ASN 252 N 0.64 -0.05 -0.38 6.45 -0.73 -1.13 -2.75 115.58 117.62 1p52 h ASN 252 Ca 0.24 -0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.19 1p52 h ASN 252 Cb 0.08 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1p52 h ASN 252 CO -0.13 0.16 0.15 0.40 -0.37 0.00 0.00 177.43 177.64 1p52 h ILE 253 N -0.26 1.18 0.00 2.57 2.04 -0.85 -2.44 117.51 119.74 1p52 h ILE 253 Ca -0.01 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1p52 h ILE 253 Cb 0.24 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1p52 h ILE 253 CO 0.01 0.22 -0.25 -0.33 0.00 0.00 0.00 178.15 177.81 1p52 h GLU 254 N 0.63 0.00 0.00 2.37 5.08 -0.95 0.56 114.58 122.27 1p52 h GLU 254 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1p52 h GLU 254 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1p52 h GLU 254 CO -0.01 0.25 0.00 -1.13 -1.00 0.00 0.00 179.01 177.12 1p52 n SER 255 N -3.64 0.24 -0.07 1.42 3.41 -0.92 -3.89 113.62 110.17 1p52 n SER 255 Ca -0.01 0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 1p52 n SER 255 Cb 0.38 -0.59 -0.09 0.00 -0.26 0.00 0.00 64.21 63.65 1p52 n SER 255 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p52 n LYS 256 N -1.74 1.09 -4.53 4.33 5.02 -0.56 -5.03 118.16 116.74 1p52 n LYS 256 Ca 0.06 0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 1p52 n LYS 256 Cb 0.32 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 33.89 1p52 n LYS 256 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1p52 s LEU 257 N -5.49 2.69 -0.37 -0.35 1.43 0.08 -5.10 118.68 111.57 1p52 s LEU 257 Ca -0.15 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1p52 s LEU 257 Cb 0.05 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1p52 s LEU 257 CO 0.43 0.23 0.61 -2.16 0.23 0.00 0.00 176.35 175.70 1p52 s PRO 258 N -1.67 3.61 -0.06 1.29 0.04 -1.26 -4.60 135.00 132.35 1p52 s PRO 258 Ca 0.16 -0.04 -0.02 0.00 0.04 0.00 0.00 61.00 61.14 1p52 s PRO 258 Cb -0.11 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 1p52 s PRO 258 CO 0.07 -0.76 0.04 -0.06 0.04 0.00 0.00 177.00 176.33 1p52 s PHE 259 N 2.67 3.23 -0.10 0.56 2.99 -1.26 -0.91 117.98 125.16 1p52 s PHE 259 Ca 0.23 0.22 -0.29 0.00 0.00 0.00 0.00 56.93 57.09 1p52 s PHE 259 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 43.02 41.05 1p52 s PHE 259 CO 0.15 0.52 1.61 -1.12 -0.00 0.00 0.00 175.22 176.39 1p52 s SER 260 N -1.21 6.63 -0.03 1.36 0.01 -0.03 -4.79 113.70 115.64 1p52 s SER 260 Ca 0.17 2.07 0.04 0.00 1.31 0.00 0.00 55.95 59.53 1p52 s SER 260 Cb -0.12 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.58 1p52 s SER 260 CO 0.07 -0.98 -0.14 -2.28 0.41 0.00 0.00 173.24 170.31 1p52 s HIS 261 N 4.24 1.42 -0.08 2.43 2.46 -1.26 -1.98 115.29 122.52 1p52 s HIS 261 Ca 0.71 -0.36 0.01 0.00 0.47 0.00 0.00 55.06 55.90 1p52 s HIS 261 Cb -0.31 -0.96 -0.03 0.00 -0.13 0.00 0.00 32.58 31.16 1p52 s HIS 261 CO 0.28 -0.11 -0.11 0.34 -2.47 0.00 0.00 174.74 172.67 1p52 s ASP 262 N -0.02 4.31 0.41 9.88 2.15 0.53 -4.93 116.67 129.00 1p52 s ASP 262 Ca -0.01 -0.15 0.07 0.00 0.43 0.00 0.00 52.55 52.90 1p52 s ASP 262 Cb -0.09 -1.16 0.85 0.00 -0.30 0.00 0.00 42.92 42.22 1p52 s ASP 262 CO 0.01 0.31 2.05 0.44 -0.17 0.00 0.00 175.17 177.80 1p52 h ASP 263 N 5.63 0.49 0.03 -0.34 5.19 -1.96 0.24 116.42 125.69 1p52 h ASP 263 Ca -0.43 -0.01 -0.32 0.00 -0.62 0.00 0.00 57.03 55.65 1p52 h ASP 263 Cb 1.17 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.52 1p52 h ASP 263 CO 0.53 0.35 -1.79 -1.14 -3.12 0.00 0.00 179.24 174.06 1p52 n ARG 264 N -4.47 0.62 -0.08 3.56 0.63 -1.26 -4.12 116.66 111.54 1p52 n ARG 264 Ca 0.04 0.41 0.11 0.00 -0.92 0.00 0.00 57.85 57.49 1p52 n ARG 264 Cb 0.09 -1.67 0.36 0.00 0.45 0.00 0.00 32.46 31.70 1p52 n ARG 264 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1p52 n PHE 265 N -4.10 0.21 -3.34 -0.14 0.99 -1.21 -0.79 117.46 109.08 1p52 n PHE 265 Ca -0.38 -0.11 0.00 0.00 -0.00 0.00 0.00 57.45 56.96 1p52 n PHE 265 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.31 1p52 n PHE 265 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1p52 n GLY 266 N 1.19 2.30 3.71 1.37 0.00 0.83 -0.68 105.19 113.91 1p52 n GLY 266 Ca 0.17 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1p52 n GLY 266 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p52 s PHE 267 N 0.00 3.33 0.20 1.61 0.40 -0.90 0.20 117.98 122.81 1p52 s PHE 267 Ca 0.00 1.23 -0.30 0.00 -0.60 0.00 0.00 56.93 57.26 1p52 s PHE 267 Cb 0.00 -3.45 -0.08 0.00 0.51 0.00 0.00 43.02 40.00 1p52 s PHE 267 CO 0.00 -1.43 0.98 -0.51 0.70 0.00 0.00 175.22 174.96 1p52 s LEU 268 N 1.40 4.57 0.10 -0.37 1.43 -0.84 -2.68 118.68 122.31 1p52 s LEU 268 Ca 0.59 1.95 -0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1p52 s LEU 268 Cb -0.29 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 1p52 s LEU 268 CO 0.28 0.01 0.01 0.42 0.23 0.00 0.00 176.35 177.30 1p52 s THR 269 N -0.71 0.23 0.21 5.49 -4.23 -1.26 -3.92 115.64 111.45 1p52 s THR 269 Ca 0.44 -1.88 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 1p52 s THR 269 Cb -0.26 -1.85 0.16 0.00 1.34 0.00 0.00 72.50 71.89 1p52 s THR 269 CO 0.33 -0.68 1.81 0.15 -0.54 0.00 0.00 174.62 175.68 1p52 h PHE 270 N 2.96 1.12 -2.99 3.99 3.57 -1.87 -3.42 116.94 120.28 1p52 h PHE 270 Ca -0.35 -0.05 -0.66 0.00 3.53 0.00 0.00 57.97 60.45 1p52 h PHE 270 Cb 1.18 -0.35 -0.11 0.00 2.79 0.00 0.00 35.95 39.46 1p52 h PHE 270 CO 0.49 0.81 -0.53 0.00 -2.23 0.00 0.00 178.31 176.85 1p52 h PRO 272 N 5.51 0.00 0.00 0.00 0.13 -1.82 -1.46 132.00 134.36 1p52 h PRO 272 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1p52 h PRO 272 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p52 h PRO 272 CO 0.61 0.00 -0.02 1.79 -0.23 0.00 0.00 178.00 180.16 1p52 h THR 273 N 0.00 0.04 -0.66 1.56 1.35 -1.94 -3.20 112.91 110.07 1p52 h THR 273 Ca 0.01 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1p52 h THR 273 Cb 0.07 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1p52 h THR 273 CO -0.00 0.02 0.00 0.59 -0.25 0.00 0.00 175.52 175.88 1p52 n ASN 274 N -3.12 3.80 -4.35 5.36 3.02 -0.55 -4.54 115.26 114.88 1p52 n ASN 274 Ca 0.00 -2.00 -0.29 0.00 -0.03 0.00 0.00 54.58 52.26 1p52 n ASN 274 Cb 0.30 -0.44 0.20 0.00 -0.61 0.00 0.00 39.78 39.22 1p52 n ASN 274 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p52 s LEU 275 N -1.03 1.34 0.00 3.41 1.43 -1.21 -3.32 118.68 119.30 1p52 s LEU 275 Ca 0.45 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1p52 s LEU 275 Cb 0.24 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1p52 s LEU 275 CO 0.31 -3.43 0.00 0.61 0.23 0.00 0.00 176.35 174.07 1p52 n GLY 276 N -1.31 1.79 0.19 -3.19 0.00 0.15 -2.75 105.19 100.07 1p52 n GLY 276 Ca 0.09 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1p52 n GLY 276 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1p52 h THR 277 N 0.00 0.11 -0.63 2.61 1.35 -1.21 -2.39 112.91 112.75 1p52 h THR 277 Ca 0.00 -1.16 -0.26 0.00 -0.55 0.00 0.00 66.41 64.44 1p52 h THR 277 Cb 0.00 1.96 -0.10 0.00 -1.73 0.00 0.00 68.15 68.28 1p52 h THR 277 CO 0.00 0.06 -0.23 0.35 -0.25 0.00 0.00 175.52 175.45 1p52 n THR 278 N -3.03 0.00 -3.32 6.82 -2.24 -1.11 -4.72 114.28 106.68 1p52 n THR 278 Ca 0.03 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 1p52 n THR 278 Cb 0.56 -1.58 -0.06 0.00 -2.10 0.00 0.00 70.33 67.15 1p52 n THR 278 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1p52 s MET 279 N -3.05 4.31 -0.26 -0.78 -2.45 -1.26 -3.45 119.30 112.36 1p52 s MET 279 Ca 0.00 0.41 0.01 0.00 -1.25 0.00 0.00 55.69 54.86 1p52 s MET 279 Cb 0.00 -3.46 0.07 0.00 1.25 0.00 0.00 34.83 32.69 1p52 s MET 279 CO 0.00 0.11 -0.02 0.50 1.05 0.00 0.00 175.02 176.66 1p52 s ARG 280 N 0.78 1.51 -0.24 4.11 3.52 -0.83 -4.72 118.95 123.08 1p52 s ARG 280 Ca 0.25 -1.14 -0.11 0.00 -0.13 0.00 0.00 55.73 54.59 1p52 s ARG 280 Cb -0.15 -2.62 -0.05 0.00 -1.56 0.00 0.00 34.95 30.57 1p52 s ARG 280 CO 0.10 -0.70 0.20 0.00 -0.81 0.00 0.00 175.30 174.09 1p52 s ALA 281 N 1.34 3.59 0.16 6.12 0.00 -1.26 -2.14 121.76 129.56 1p52 s ALA 281 Ca -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1p52 s ALA 281 Cb -0.19 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 1p52 s ALA 281 CO -0.09 -0.27 0.07 -1.54 0.00 0.00 0.00 175.76 173.94 1p52 s SER 282 N 1.17 0.36 0.04 0.00 1.04 0.13 -2.80 113.70 113.63 1p52 s SER 282 Ca 0.09 -1.26 0.02 0.00 0.48 0.00 0.00 55.95 55.28 1p52 s SER 282 Cb -0.14 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1p52 s SER 282 CO 0.06 -0.75 -0.08 0.68 0.98 0.00 0.00 173.24 174.14 1p52 s VAL 283 N -4.04 0.52 -0.27 5.02 -7.23 -0.88 -0.67 120.40 112.85 1p52 s VAL 283 Ca 0.29 -1.08 -0.10 0.00 -1.81 0.00 0.00 61.98 59.28 1p52 s VAL 283 Cb 0.07 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 1p52 s VAL 283 CO 0.05 -0.39 0.15 -1.00 -0.31 0.00 0.00 175.10 173.60 1p52 s HIS 284 N -1.40 3.19 0.02 2.82 3.76 -0.12 -1.76 115.29 121.79 1p52 s HIS 284 Ca -0.10 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1p52 s HIS 284 Cb -0.10 -2.33 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 1p52 s HIS 284 CO 0.00 -0.19 0.02 -1.50 -0.85 0.00 0.00 174.74 172.22 1p52 s ILE 285 N 1.64 0.11 -0.16 0.60 2.07 0.51 -0.63 121.20 125.33 1p52 s ILE 285 Ca 0.07 -0.93 -0.02 0.00 -1.41 0.00 0.00 60.65 58.36 1p52 s ILE 285 Cb -0.15 -0.42 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 1p52 s ILE 285 CO 0.08 -0.51 -0.09 -1.10 -1.91 0.00 0.00 174.94 171.41 1p52 s GLN 286 N -1.67 3.42 -0.44 3.50 -0.21 -0.23 -0.94 119.66 123.08 1p52 s GLN 286 Ca -0.14 -0.64 0.06 0.00 0.02 0.00 0.00 55.36 54.66 1p52 s GLN 286 Cb -0.08 -2.79 0.22 0.00 1.00 0.00 0.00 33.01 31.36 1p52 s GLN 286 CO -0.01 0.08 0.48 1.28 -2.12 0.00 0.00 175.29 175.00 1p52 n LEU 287 N 3.95 0.47 -0.34 2.90 4.77 -1.26 -4.64 117.00 122.85 1p52 n LEU 287 Ca -0.18 -4.69 -0.01 0.00 -0.03 0.00 0.00 56.01 51.10 1p52 n LEU 287 Cb 0.52 0.41 0.04 0.00 -2.33 0.00 0.00 43.42 42.05 1p52 n LEU 287 CO 0.30 1.99 0.51 -2.65 -1.33 0.00 0.00 177.39 176.21 1p52 n PRO 288 N 1.84 -0.20 -0.02 3.23 -0.02 -1.26 0.32 135.00 138.88 1p52 n PRO 288 Ca 0.25 1.35 -0.15 0.00 -2.02 0.00 0.00 63.50 62.92 1p52 n PRO 288 Cb 0.49 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 1p52 n PRO 288 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1p52 h LYS 289 N 0.00 0.25 -0.11 -0.52 1.57 -1.96 -3.32 116.57 112.48 1p52 h LYS 289 Ca 0.31 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1p52 h LYS 289 Cb 0.52 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1p52 h LYS 289 CO -0.87 0.93 -0.43 -0.07 -0.57 0.00 0.00 179.45 178.44 1p52 h LEU 290 N -0.35 0.26 -5.72 2.94 3.38 -1.81 -3.26 115.31 110.76 1p52 h LEU 290 Ca -0.03 -0.11 -0.79 0.00 0.09 0.00 0.00 57.88 57.04 1p52 h LEU 290 Cb 1.02 -0.07 -0.27 0.00 0.09 0.00 0.00 40.66 41.43 1p52 h LEU 290 CO 0.06 0.66 1.03 0.00 0.09 0.00 0.00 178.44 180.28 1p52 n ALA 291 N -2.47 6.25 0.00 1.53 0.00 0.15 -3.77 120.51 122.20 1p52 n ALA 291 Ca -0.02 -4.41 -0.15 0.00 0.00 0.00 0.00 53.44 48.87 1p52 n ALA 291 Cb 0.49 -2.09 -0.14 0.00 0.00 0.00 0.00 19.45 17.71 1p52 n ALA 291 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1p52 h LYS 292 N 3.69 0.14 -4.06 0.00 1.63 -1.66 -3.44 116.57 112.88 1p52 h LYS 292 Ca 0.55 -0.25 -0.54 0.00 -0.85 0.00 0.00 60.65 59.56 1p52 h LYS 292 Cb 0.20 0.09 -0.38 0.00 -0.60 0.00 0.00 32.23 31.54 1p52 h LYS 292 CO 1.28 0.88 -0.79 0.34 -3.45 0.00 0.00 179.45 177.72 1p52 s ASP 293 N -6.61 2.78 0.45 4.20 -1.08 -1.26 -5.02 116.67 110.13 1p52 s ASP 293 Ca -0.12 -0.66 0.27 0.00 -0.52 0.00 0.00 52.55 51.52 1p52 s ASP 293 Cb 0.07 -0.85 1.31 0.00 -1.46 0.00 0.00 42.92 42.00 1p52 s ASP 293 CO 0.81 -0.20 1.75 -0.09 0.52 0.00 0.00 175.17 177.95 1p52 h ARG 294 N 8.14 0.20 -0.52 4.34 2.43 -1.91 0.16 114.38 127.22 1p52 h ARG 294 Ca -0.23 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.84 1p52 h ARG 294 Cb 1.11 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1p52 h ARG 294 CO 0.38 0.13 -0.03 0.87 -1.51 0.00 0.00 179.97 179.82 1p52 h LYS 295 N 0.21 0.94 -0.54 0.20 1.57 -1.96 -0.47 116.57 116.53 1p52 h LYS 295 Ca 0.64 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 59.03 1p52 h LYS 295 Cb 2.00 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.21 1p52 h LYS 295 CO -0.23 0.97 0.01 0.28 -0.57 0.00 0.00 179.45 179.91 1p52 h VAL 296 N 0.81 1.25 -0.22 0.50 2.07 -1.03 -0.31 116.25 119.32 1p52 h VAL 296 Ca 0.14 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1p52 h VAL 296 Cb 0.56 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1p52 h VAL 296 CO 0.03 0.38 -0.02 0.25 0.02 0.00 0.00 177.57 178.23 1p52 h LEU 297 N 0.84 0.39 -0.67 2.57 5.85 -1.26 -2.14 115.31 120.88 1p52 h LEU 297 Ca 0.16 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1p52 h LEU 297 Cb 0.48 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1p52 h LEU 297 CO 0.02 0.63 0.37 -0.33 -0.34 0.00 0.00 178.44 178.78 1p52 h GLU 298 N 0.14 0.94 -0.73 1.25 5.08 -0.84 0.97 114.58 121.39 1p52 h GLU 298 Ca 0.06 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1p52 h GLU 298 Cb 0.44 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1p52 h GLU 298 CO 0.01 0.71 0.24 -0.44 -1.00 0.00 0.00 179.01 178.53 1p52 h ASP 299 N 0.92 1.05 -0.09 1.42 3.32 -1.01 0.04 116.42 122.06 1p52 h ASP 299 Ca 0.24 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1p52 h ASP 299 Cb 0.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1p52 h ASP 299 CO -0.04 0.97 0.03 0.40 -1.72 0.00 0.00 179.24 178.88 1p52 h ILE 300 N 1.08 1.18 -0.98 0.35 2.04 -0.83 -3.04 117.51 117.30 1p52 h ILE 300 Ca 0.24 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1p52 h ILE 300 Cb 0.29 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1p52 h ILE 300 CO -0.01 0.16 0.64 0.00 0.00 0.00 0.00 178.15 178.94 1p52 h ALA 301 N 0.83 1.31 -0.74 1.87 0.00 -0.53 -2.52 119.26 119.48 1p52 h ALA 301 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1p52 h ALA 301 Cb 0.23 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1p52 h ALA 301 CO -0.00 0.53 0.49 1.03 0.00 0.00 0.00 179.25 181.30 1p52 h SER 302 N 1.24 0.55 0.84 0.00 0.87 -0.88 -0.24 113.55 115.94 1p52 h SER 302 Ca 0.39 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1p52 h SER 302 Cb 0.01 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1p52 h SER 302 CO -0.13 0.32 0.00 0.11 -0.53 0.00 0.00 176.83 176.61 1p52 h LYS 303 N 0.61 0.00 -0.53 2.24 1.57 -1.43 -1.57 116.57 117.46 1p52 h LYS 303 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1p52 h LYS 303 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1p52 h LYS 303 CO -0.12 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.95 1p52 n PHE 304 N -2.30 0.95 -2.54 -1.35 3.01 -0.26 -4.94 117.46 110.03 1p52 n PHE 304 Ca 0.02 -0.58 -0.18 0.00 1.01 0.00 0.00 57.45 57.73 1p52 n PHE 304 Cb 0.26 -0.12 0.01 0.00 -0.01 0.00 0.00 39.48 39.62 1p52 n PHE 304 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1p52 n ASN 305 N 0.87 -5.20 -4.77 4.37 5.03 -0.59 -4.80 115.26 110.18 1p52 n ASN 305 Ca 0.20 -0.10 -0.22 0.00 0.87 0.00 0.00 54.58 55.33 1p52 n ASN 305 Cb 0.67 -4.19 -0.05 0.00 -1.02 0.00 0.00 39.78 35.18 1p52 n ASN 305 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1p52 s LEU 306 N -5.23 3.63 0.03 3.41 1.43 -0.26 -1.67 118.68 120.02 1p52 s LEU 306 Ca 0.09 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1p52 s LEU 306 Cb -0.04 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1p52 s LEU 306 CO 0.12 -0.03 -0.23 -1.58 0.23 0.00 0.00 176.35 174.86 1p52 s GLN 307 N -3.79 1.58 -0.13 1.70 0.74 0.83 -3.63 119.66 116.96 1p52 s GLN 307 Ca 0.32 -0.97 -0.03 0.00 0.05 0.00 0.00 55.36 54.73 1p52 s GLN 307 Cb -0.07 -1.69 -0.03 0.00 1.10 0.00 0.00 33.01 32.31 1p52 s GLN 307 CO 0.23 0.44 -0.01 0.08 -0.55 0.00 0.00 175.29 175.49 1p52 s VAL 308 N -0.76 4.18 0.22 1.34 1.01 -1.26 -1.41 120.40 123.73 1p52 s VAL 308 Ca 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1p52 s VAL 308 Cb -0.09 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1p52 s VAL 308 CO 0.01 0.53 0.05 -0.13 0.00 0.00 0.00 175.10 175.56 1p52 s ARG 309 N -0.13 1.28 0.97 2.72 0.52 0.47 -4.99 118.95 119.78 1p52 s ARG 309 Ca 0.04 -1.66 -0.15 0.00 -0.52 0.00 0.00 55.73 53.44 1p52 s ARG 309 Cb -0.13 -0.32 0.18 0.00 0.52 0.00 0.00 34.95 35.20 1p52 s ARG 309 CO 0.02 -0.20 1.19 0.20 0.02 0.00 0.00 175.30 176.53 1p52 s GLY 310 N -3.26 1.64 0.53 -3.53 0.00 -1.15 -1.69 107.32 99.86 1p52 s GLY 310 Ca 0.31 -0.82 0.18 0.00 0.00 0.00 0.00 44.72 44.39 1p52 s GLY 310 CO 0.09 -0.15 2.16 -0.84 0.00 0.00 0.00 173.10 174.37 1p52 h THR 311 N -1.69 0.92 -0.52 0.90 2.02 -1.49 -1.95 112.91 111.09 1p52 h THR 311 Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1p52 h THR 311 Cb 1.30 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1p52 h THR 311 CO 0.50 0.01 0.00 0.54 0.37 0.00 0.00 175.52 176.94 1p52 n ARG 312 N -4.40 2.44 0.00 6.66 1.74 -1.26 -4.96 116.66 116.87 1p52 n ARG 312 Ca -0.03 -2.22 0.00 0.00 -0.77 0.00 0.00 57.85 54.83 1p52 n ARG 312 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1p52 n ARG 312 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p52 n GLY 313 N 1.49 -1.16 2.66 -0.13 0.00 -0.73 -4.95 105.19 102.36 1p52 n GLY 313 Ca 0.20 -2.10 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 1p52 n GLY 313 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p52 n ASP 314 N 0.00 0.13 -3.54 1.61 -0.08 -1.26 -2.13 116.55 111.29 1p52 n ASP 314 Ca 0.00 0.87 -0.26 0.00 -1.51 0.00 0.00 54.79 53.89 1p52 n ASP 314 Cb 0.00 -0.69 0.01 0.00 2.34 0.00 0.00 41.12 42.79 1p52 n ASP 314 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1p52 n HIS 315 N 1.41 -2.00 -4.62 -0.67 8.25 -1.26 -4.94 115.22 111.40 1p52 n HIS 315 Ca 0.16 0.64 -0.28 0.00 -0.26 0.00 0.00 57.72 57.99 1p52 n HIS 315 Cb 0.04 -3.56 -0.11 0.00 1.12 0.00 0.00 29.99 27.49 1p52 n HIS 315 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1p52 s THR 316 N -3.11 1.81 0.34 1.59 -4.23 -0.90 -5.01 115.64 106.13 1p52 s THR 316 Ca 0.49 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1p52 s THR 316 Cb -0.25 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1p52 s THR 316 CO 0.61 0.00 0.52 -1.61 -0.54 0.00 0.00 174.62 173.59 1p52 s GLU 317 N -3.75 3.34 0.18 3.99 0.41 -1.26 -2.92 118.70 118.70 1p52 s GLU 317 Ca 0.32 -0.56 -0.30 0.00 -0.41 0.00 0.00 54.97 54.02 1p52 s GLU 317 Cb 0.09 -2.72 -0.08 0.00 -1.78 0.00 0.00 34.13 29.64 1p52 s GLU 317 CO 0.16 0.13 1.01 -1.54 -0.49 0.00 0.00 175.26 174.53 1p52 s SER 318 N -4.08 7.45 -0.17 -0.19 1.04 -1.26 -1.85 113.70 114.65 1p52 s SER 318 Ca 0.41 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.81 1p52 s SER 318 Cb -0.09 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1p52 s SER 318 CO 0.34 -0.06 -0.16 -1.61 0.98 0.00 0.00 173.24 172.73 1p52 s GLU 319 N -0.57 3.16 -1.32 4.02 2.02 -1.24 -4.66 118.70 120.11 1p52 s GLU 319 Ca 0.46 -0.77 -0.02 0.00 0.02 0.00 0.00 54.97 54.67 1p52 s GLU 319 Cb -0.27 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1p52 s GLU 319 CO 0.33 -0.06 0.22 0.41 0.02 0.00 0.00 175.26 176.18 1p52 n GLY 320 N 4.26 -0.28 2.43 -1.39 0.00 -1.26 -2.36 105.19 106.59 1p52 n GLY 320 Ca -0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 1p52 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p52 n GLY 321 N -1.17 0.34 3.63 -0.02 0.00 -1.26 -4.99 105.19 101.71 1p52 n GLY 321 Ca -0.15 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1p52 n GLY 321 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p52 s VAL 322 N -1.61 5.18 0.19 1.61 1.01 -0.99 -4.23 120.40 121.55 1p52 s VAL 322 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.70 1p52 s VAL 322 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1p52 s VAL 322 CO 0.00 0.18 -0.11 -0.31 0.00 0.00 0.00 175.10 174.86 1p52 s TYR 323 N 1.85 2.58 -0.38 5.22 1.51 -0.12 -3.68 117.35 124.34 1p52 s TYR 323 Ca 0.16 -0.24 -0.12 0.00 -1.01 0.00 0.00 57.07 55.86 1p52 s TYR 323 Cb -0.15 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1p52 s TYR 323 CO 0.09 0.52 0.24 0.34 -1.11 0.00 0.00 175.55 175.63 1p52 s ASP 324 N -2.87 5.88 -0.09 2.29 -1.08 -0.68 -0.36 116.67 119.75 1p52 s ASP 324 Ca 0.25 -0.86 0.04 0.00 -0.52 0.00 0.00 52.55 51.46 1p52 s ASP 324 Cb -0.08 -2.08 -0.00 0.00 -1.46 0.00 0.00 42.92 39.29 1p52 s ASP 324 CO 0.15 -0.37 -0.23 -0.63 0.52 0.00 0.00 175.17 174.60 1p52 s ILE 325 N 1.62 2.13 0.23 4.11 1.01 -0.72 -0.40 121.20 129.18 1p52 s ILE 325 Ca 0.04 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.58 1p52 s ILE 325 Cb -0.19 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1p52 s ILE 325 CO 0.08 0.56 0.40 -0.94 0.00 0.00 0.00 174.94 175.04 1p52 s SER 326 N 0.23 -0.04 0.20 3.58 1.04 -0.50 -2.08 113.70 116.13 1p52 s SER 326 Ca -0.15 -0.99 -0.30 0.00 0.48 0.00 0.00 55.95 54.98 1p52 s SER 326 Cb -0.17 0.53 -0.09 0.00 0.10 0.00 0.00 66.02 66.39 1p52 s SER 326 CO 0.08 -1.06 1.40 0.54 0.98 0.00 0.00 173.24 175.18 1p52 s ASN 327 N -3.03 6.76 0.00 7.02 4.22 -1.12 -0.12 114.94 128.66 1p52 s ASN 327 Ca 0.24 2.51 -0.09 0.00 -2.14 0.00 0.00 52.86 53.38 1p52 s ASN 327 Cb 0.01 -2.61 -0.31 0.00 1.28 0.00 0.00 41.25 39.62 1p52 s ASN 327 CO 0.08 -0.65 0.87 0.50 -2.04 0.00 0.00 177.10 175.86 1p52 h LYS 328 N 5.71 0.38 -6.51 3.55 3.64 -1.61 -3.43 116.57 118.29 1p52 h LYS 328 Ca -0.44 -0.65 -0.52 0.00 -1.27 0.00 0.00 60.65 57.76 1p52 h LYS 328 Cb 1.21 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 1p52 h LYS 328 CO 0.81 1.28 0.27 1.03 -2.27 0.00 0.00 179.45 180.57 1p52 s ARG 329 N -2.60 4.64 0.00 1.90 0.52 -1.26 -4.94 118.95 117.21 1p52 s ARG 329 Ca -0.11 1.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 1p52 s ARG 329 Cb 0.06 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.19 1p52 s ARG 329 CO 0.88 0.34 0.00 0.54 0.02 0.00 0.00 175.30 177.08 1p52 n ARG 330 N 2.41 3.04 -4.60 3.54 1.74 -1.26 -4.89 116.66 116.64 1p52 n ARG 330 Ca -0.01 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1p52 n ARG 330 Cb 0.49 -0.73 -0.11 0.00 -1.02 0.00 0.00 32.46 31.09 1p52 n ARG 330 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1p52 s LEU 331 N -1.52 3.14 0.00 0.55 2.96 -1.23 -0.78 118.68 121.80 1p52 s LEU 331 Ca 0.00 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1p52 s LEU 331 Cb 0.00 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.97 1p52 s LEU 331 CO 0.00 0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.98 1p52 n GLY 332 N 2.03 0.77 3.23 7.98 0.00 -1.26 -4.92 105.19 113.01 1p52 n GLY 332 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1p52 n GLY 332 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1p52 s LEU 333 N 0.00 1.10 0.81 0.99 2.34 -1.26 -4.90 118.68 117.76 1p52 s LEU 333 Ca 0.00 -0.35 -0.12 0.00 0.06 0.00 0.00 54.13 53.72 1p52 s LEU 333 Cb 0.00 1.20 0.08 0.00 -0.56 0.00 0.00 46.19 46.91 1p52 s LEU 333 CO 0.00 -0.64 1.13 0.42 -1.06 0.00 0.00 176.35 176.21 1p52 s THR 334 N -2.92 2.54 0.17 5.48 -4.23 -1.26 -4.60 115.64 110.81 1p52 s THR 334 Ca -0.02 0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 1p52 s THR 334 Cb 0.00 -3.06 0.05 0.00 1.34 0.00 0.00 72.50 70.83 1p52 s THR 334 CO -0.06 -0.23 1.76 -0.33 -0.54 0.00 0.00 174.62 175.22 1p52 h GLU 335 N -1.08 0.33 -0.29 3.99 3.07 -1.88 0.68 114.58 119.40 1p52 h GLU 335 Ca -0.47 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.41 1p52 h GLU 335 Cb 1.30 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 1p52 h GLU 335 CO 0.63 0.22 0.07 -0.92 -1.40 0.00 0.00 179.01 177.61 1p52 h TYR 336 N 0.34 0.13 -0.65 4.33 3.20 -1.46 -1.44 116.97 121.41 1p52 h TYR 336 Ca 0.19 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1p52 h TYR 336 Cb 0.16 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1p52 h TYR 336 CO -0.14 0.04 0.32 1.96 -1.64 0.00 0.00 178.16 178.71 1p52 h GLN 337 N 0.19 0.91 -0.20 1.82 4.20 -1.67 -0.93 115.11 119.43 1p52 h GLN 337 Ca 0.13 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1p52 h GLN 337 Cb 0.13 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1p52 h GLN 337 CO -0.16 0.70 0.02 0.00 -0.67 0.00 0.00 178.83 178.71 1p52 h ALA 338 N 1.44 0.27 -0.23 3.87 0.00 -0.30 -1.40 119.26 122.90 1p52 h ALA 338 Ca 0.23 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1p52 h ALA 338 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1p52 h ALA 338 CO -0.03 -0.04 -0.28 -0.24 0.00 0.00 0.00 179.25 178.66 1p52 h VAL 339 N 0.12 1.27 -0.37 0.00 3.04 -1.12 -2.73 116.25 116.47 1p52 h VAL 339 Ca 0.06 -1.31 -0.07 0.00 -1.01 0.00 0.00 66.70 64.36 1p52 h VAL 339 Cb 0.36 1.40 -0.02 0.00 -2.01 0.00 0.00 31.29 31.02 1p52 h VAL 339 CO 0.01 0.41 -0.07 0.03 -1.01 0.00 0.00 177.57 176.94 1p52 h ARG 340 N 0.40 0.62 -0.72 4.17 2.47 -1.00 -0.27 114.38 120.05 1p52 h ARG 340 Ca 0.06 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1p52 h ARG 340 Cb 0.70 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.92 1p52 h ARG 340 CO 0.05 0.69 0.43 0.93 0.56 0.00 0.00 179.97 182.64 1p52 h GLU 341 N 0.58 0.97 -0.06 0.04 5.08 -0.93 0.30 114.58 120.56 1p52 h GLU 341 Ca 0.11 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1p52 h GLU 341 Cb 0.47 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1p52 h GLU 341 CO 0.03 0.68 -0.14 1.98 -1.00 0.00 0.00 179.01 180.56 1p52 h MET 342 N 0.99 0.20 0.09 2.33 4.05 -1.39 -1.88 114.93 119.32 1p52 h MET 342 Ca 0.26 -0.14 0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1p52 h MET 342 Cb -0.04 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 1p52 h MET 342 CO -0.05 0.73 -0.22 0.37 0.23 0.00 0.00 176.91 177.97 1p52 h GLN 343 N -0.30 -0.39 -0.10 0.39 4.15 -0.62 0.11 115.11 118.35 1p52 h GLN 343 Ca 0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1p52 h GLN 343 Cb 0.73 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1p52 h GLN 343 CO 0.03 -0.26 0.05 -0.44 -1.93 0.00 0.00 178.83 176.28 1p52 h ASP 344 N -0.40 0.08 -0.37 -0.69 3.32 -0.49 -0.81 116.42 117.06 1p52 h ASP 344 Ca 0.03 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1p52 h ASP 344 Cb 0.44 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1p52 h ASP 344 CO -0.14 0.06 -0.10 1.23 -1.72 0.00 0.00 179.24 178.58 1p52 h GLY 345 N 0.11 0.88 1.17 2.75 0.00 -1.25 -2.14 103.07 104.60 1p52 h GLY 345 Ca 0.04 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 46.54 1p52 h GLY 345 CO -0.03 0.61 -0.46 -2.22 0.00 0.00 0.00 176.54 174.44 1p52 h ILE 346 N 0.73 1.27 -0.62 2.60 1.08 -0.87 0.10 117.51 121.81 1p52 h ILE 346 Ca 0.12 -1.64 0.01 0.00 -0.39 0.00 0.00 64.86 62.96 1p52 h ILE 346 Cb 0.59 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 1p52 h ILE 346 CO 0.04 0.54 0.41 -0.07 -0.69 0.00 0.00 178.15 178.38 1p52 h LEU 347 N 0.70 0.72 -0.17 1.44 3.38 -1.00 -1.18 115.31 119.20 1p52 h LEU 347 Ca 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1p52 h LEU 347 Cb 1.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1p52 h LEU 347 CO 0.11 0.53 -0.09 -0.08 0.09 0.00 0.00 178.44 178.99 1p52 h GLU 348 N 0.84 0.37 -0.58 1.13 4.57 -1.28 -2.24 114.58 117.40 1p52 h GLU 348 Ca 0.23 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1p52 h GLU 348 Cb -0.09 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1p52 h GLU 348 CO -0.05 0.68 0.38 0.52 -1.18 0.00 0.00 179.01 179.36 1p52 h MET 349 N 0.04 0.57 -0.65 1.92 2.86 -0.80 0.18 114.93 119.05 1p52 h MET 349 Ca 0.04 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1p52 h MET 349 Cb 0.57 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1p52 h MET 349 CO 0.03 0.38 0.06 0.82 1.06 0.00 0.00 176.91 179.26 1p52 h ILE 350 N 0.59 1.26 -0.78 -1.22 2.04 -1.06 -0.06 117.51 118.28 1p52 h ILE 350 Ca 0.24 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 1p52 h ILE 350 Cb 0.22 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1p52 h ILE 350 CO -0.07 0.41 0.29 0.11 0.00 0.00 0.00 178.15 178.89 1p52 h LYS 351 N 1.02 1.18 -0.56 2.37 1.57 -0.26 -1.16 116.57 120.73 1p52 h LYS 351 Ca 0.19 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1p52 h LYS 351 Cb 0.49 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1p52 h LYS 351 CO 0.02 0.97 -0.07 0.52 -0.57 0.00 0.00 179.45 180.32 1p52 h MET 352 N 1.14 1.04 -0.63 3.15 2.86 -0.35 -2.40 114.93 119.73 1p52 h MET 352 Ca 0.26 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1p52 h MET 352 Cb 0.25 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1p52 h MET 352 CO -0.02 1.06 0.30 1.49 1.06 0.00 0.00 176.91 180.80 1p52 h GLU 353 N 0.92 0.92 0.00 1.72 4.57 -0.70 -0.19 114.58 121.82 1p52 h GLU 353 Ca 0.15 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1p52 h GLU 353 Cb 0.64 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1p52 h GLU 353 CO 0.04 0.74 -0.13 0.87 -1.18 0.00 0.00 179.01 179.36 1p52 h LYS 354 N 0.88 0.00 0.00 1.92 1.57 -1.05 -2.72 116.57 117.17 1p52 h LYS 354 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1p52 h LYS 354 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1p52 h LYS 354 CO -0.03 0.13 -0.92 0.00 -0.57 0.00 0.00 179.45 178.07 1p52 n ALA 355 N -2.26 4.46 -1.72 3.86 0.00 -0.90 -4.98 120.51 118.98 1p52 n ALA 355 Ca -0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 53.44 52.52 1p52 n ALA 355 Cb 0.26 -0.84 0.04 0.00 0.00 0.00 0.00 19.45 18.91 1p52 n ALA 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p52 s ALA 356 N -3.01 2.52 -2.33 0.00 0.00 -0.13 -5.08 121.76 113.73 1p52 s ALA 356 Ca 0.08 0.98 0.29 0.00 0.00 0.00 0.00 51.96 53.31 1p52 s ALA 356 Cb 0.16 -3.44 1.35 0.00 0.00 0.00 0.00 23.12 21.19 1p52 s ALA 356 CO 0.84 -1.20 1.91 0.00 0.00 0.00 0.00 175.76 177.31