#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj6 s THR 4 N 0.00 3.58 0.63 0.44 2.01 -1.26 -5.12 115.64 115.92 1pj6 s THR 4 Ca 0.00 -0.51 -0.17 0.00 0.31 0.00 0.00 61.69 61.32 1pj6 s THR 4 Cb 0.00 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 1pj6 s THR 4 CO 0.00 0.58 1.14 -2.84 -0.69 0.00 0.00 174.62 172.80 1pj6 s PRO 5 N -0.54 2.88 -0.27 4.92 0.02 -1.26 -4.99 135.00 135.77 1pj6 s PRO 5 Ca 0.08 1.54 -0.29 0.00 0.02 0.00 0.00 61.00 62.36 1pj6 s PRO 5 Cb -0.12 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.47 1pj6 s PRO 5 CO 0.02 -1.21 1.03 1.03 -0.33 0.00 0.00 177.00 177.54 1pj6 s ARG 6 N -3.77 4.17 -0.11 5.54 0.52 -1.26 -4.64 118.95 119.40 1pj6 s ARG 6 Ca 0.71 1.19 0.01 0.00 -0.52 0.00 0.00 55.73 57.12 1pj6 s ARG 6 Cb -0.24 -3.68 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 1pj6 s ARG 6 CO 0.37 -0.74 -0.14 0.42 0.02 0.00 0.00 175.30 175.23 1pj6 s ILE 7 N 3.36 3.00 -0.15 1.52 1.01 -0.48 -0.24 121.20 129.22 1pj6 s ILE 7 Ca 0.44 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 1pj6 s ILE 7 Cb -0.14 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1pj6 s ILE 7 CO 0.10 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 174.76 1pj6 s VAL 8 N 0.08 2.89 -0.21 2.92 1.01 -0.23 -0.82 120.40 126.04 1pj6 s VAL 8 Ca -0.06 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1pj6 s VAL 8 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1pj6 s VAL 8 CO 0.05 0.51 0.10 -0.63 0.00 0.00 0.00 175.10 175.13 1pj6 s ILE 9 N 0.64 4.93 -0.41 2.22 1.01 -0.00 -1.06 121.20 128.53 1pj6 s ILE 9 Ca -0.07 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 1pj6 s ILE 9 Cb -0.16 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1pj6 s ILE 9 CO 0.03 0.40 0.50 -0.63 0.00 0.00 0.00 174.94 175.23 1pj6 s ILE 10 N 0.80 5.01 0.00 2.92 1.01 -0.01 -0.94 121.20 129.99 1pj6 s ILE 10 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1pj6 s ILE 10 Cb -0.13 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1pj6 s ILE 10 CO 0.02 -0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.17 1pj6 n GLY 11 N 5.02 3.00 2.46 6.18 0.00 0.69 -0.25 105.19 122.29 1pj6 n GLY 11 Ca -0.06 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1pj6 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj6 n ALA 12 N 0.72 5.95 -1.30 4.61 0.00 -1.25 -4.02 120.51 125.22 1pj6 n ALA 12 Ca 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1pj6 n ALA 12 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1pj6 n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj6 n GLY 13 N -0.71 -0.53 0.22 0.00 0.00 -1.26 -4.76 105.19 98.15 1pj6 n GLY 13 Ca 0.53 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.86 1pj6 n GLY 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pj6 h ILE 14 N -0.63 1.16 0.11 -0.61 6.09 -1.94 -2.03 117.51 119.66 1pj6 h ILE 14 Ca 0.00 -0.73 -0.01 0.00 -1.37 0.00 0.00 64.86 62.76 1pj6 h ILE 14 Cb 0.00 1.35 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1pj6 h ILE 14 CO 0.00 0.21 -0.05 0.58 -3.07 0.00 0.00 178.15 175.82 1pj6 h VAL 15 N 0.05 1.00 -0.93 2.19 2.07 -1.91 -2.81 116.25 115.91 1pj6 h VAL 15 Ca 0.01 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1pj6 h VAL 15 Cb 0.37 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1pj6 h VAL 15 CO 0.03 0.27 0.56 1.23 0.02 0.00 0.00 177.57 179.68 1pj6 h GLY 16 N -0.85 1.35 1.20 2.17 0.00 -1.67 0.28 103.07 105.55 1pj6 h GLY 16 Ca -0.02 -0.56 -0.23 0.00 0.00 0.00 0.00 47.33 46.52 1pj6 h GLY 16 CO 0.02 0.54 -0.82 -0.91 0.00 0.00 0.00 176.54 175.38 1pj6 h THR 17 N 1.28 1.28 -0.70 4.70 1.35 -1.51 -1.35 112.91 117.97 1pj6 h THR 17 Ca 0.33 -2.02 0.02 0.00 -0.55 0.00 0.00 66.41 64.19 1pj6 h THR 17 Cb -0.06 2.04 -0.04 0.00 -1.73 0.00 0.00 68.15 68.37 1pj6 h THR 17 CO -0.06 0.64 0.46 0.78 -0.25 0.00 0.00 175.52 177.09 1pj6 h ASN 18 N 0.52 0.77 -0.31 5.36 2.35 -1.21 -2.19 115.58 120.86 1pj6 h ASN 18 Ca -0.06 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 1pj6 h ASN 18 Cb 1.45 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 1pj6 h ASN 18 CO 0.17 0.55 -0.04 0.25 -1.65 0.00 0.00 177.43 176.70 1pj6 h LEU 19 N 0.90 0.57 -0.63 1.61 5.85 -0.74 0.26 115.31 123.13 1pj6 h LEU 19 Ca 0.27 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1pj6 h LEU 19 Cb -0.03 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1pj6 h LEU 19 CO -0.07 0.77 0.32 0.00 -0.34 0.00 0.00 178.44 179.13 1pj6 h ALA 20 N 0.82 0.84 -0.37 1.25 0.00 -1.10 -0.85 119.26 119.84 1pj6 h ALA 20 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pj6 h ALA 20 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1pj6 h ALA 20 CO 0.02 -0.04 0.17 0.22 0.00 0.00 0.00 179.25 179.62 1pj6 h ASP 21 N 0.58 0.50 0.38 0.00 3.58 -1.11 -0.24 116.42 120.11 1pj6 h ASP 21 Ca 0.29 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 1pj6 h ASP 21 Cb 0.25 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1pj6 h ASP 21 CO -0.22 0.50 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.01 1pj6 h GLU 22 N 0.46 0.00 -0.06 0.28 4.39 -0.64 -1.82 114.58 117.19 1pj6 h GLU 22 Ca 0.13 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 1pj6 h GLU 22 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1pj6 h GLU 22 CO -0.01 0.31 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.74 1pj6 h LEU 23 N 0.00 0.39 -0.64 1.33 3.38 -0.81 -3.13 115.31 115.84 1pj6 h LEU 23 Ca -0.00 -0.67 0.08 0.00 0.09 0.00 0.00 57.88 57.38 1pj6 h LEU 23 Cb 0.58 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1pj6 h LEU 23 CO 0.04 1.00 0.30 0.58 0.09 0.00 0.00 178.44 180.45 1pj6 h VAL 24 N -0.19 0.86 0.00 1.22 2.07 -0.74 -1.11 116.25 118.37 1pj6 h VAL 24 Ca -0.03 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1pj6 h VAL 24 Cb 1.00 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1pj6 h VAL 24 CO 0.07 0.10 0.00 0.71 0.02 0.00 0.00 177.57 178.47 1pj6 h THR 25 N 0.54 0.00 -0.41 2.57 1.35 -1.39 -0.39 112.91 115.17 1pj6 h THR 25 Ca 0.31 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1pj6 h THR 25 Cb 0.31 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1pj6 h THR 25 CO -0.25 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.56 1pj6 n ARG 26 N -2.82 2.03 -0.61 4.72 1.74 -0.53 -4.94 116.66 116.26 1pj6 n ARG 26 Ca 0.02 -1.60 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 1pj6 n ARG 26 Cb 0.31 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1pj6 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pj6 n GLY 27 N 1.23 0.73 3.35 -0.13 0.00 -0.16 -5.04 105.19 105.18 1pj6 n GLY 27 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1pj6 n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pj6 s TRP 28 N -2.43 3.27 0.00 1.61 0.52 -0.57 -4.93 118.94 116.41 1pj6 s TRP 28 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 56.10 55.04 1pj6 s TRP 28 Cb 0.00 -2.65 0.00 0.00 -1.15 0.00 0.00 33.47 29.67 1pj6 s TRP 28 CO 0.00 -0.71 0.73 0.27 0.02 0.00 0.00 176.95 177.26 1pj6 n ASN 29 N 5.01 1.38 -4.02 2.95 0.23 -1.26 -2.50 115.26 117.05 1pj6 n ASN 29 Ca -0.11 -1.51 -0.42 0.00 -0.53 0.00 0.00 54.58 52.00 1pj6 n ASN 29 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1pj6 n ASN 29 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1pj6 n ASN 30 N -0.26 4.41 -4.09 0.53 2.85 -1.26 -4.08 115.26 113.36 1pj6 n ASN 30 Ca 0.00 -2.91 -0.25 0.00 -0.11 0.00 0.00 54.58 51.32 1pj6 n ASN 30 Cb 0.18 -1.65 -0.16 0.00 1.24 0.00 0.00 39.78 39.39 1pj6 n ASN 30 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1pj6 s ILE 31 N 2.95 1.25 -0.18 -1.44 1.01 -1.26 -1.38 121.20 122.16 1pj6 s ILE 31 Ca 0.47 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 1pj6 s ILE 31 Cb 0.10 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.49 1pj6 s ILE 31 CO -0.03 0.37 -0.15 -0.89 0.00 0.00 0.00 174.94 174.24 1pj6 s THR 32 N 0.13 2.50 -0.21 2.92 2.01 0.00 -1.28 115.64 121.71 1pj6 s THR 32 Ca -0.05 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 1pj6 s THR 32 Cb -0.11 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1pj6 s THR 32 CO 0.02 0.51 0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 1pj6 s VAL 33 N 1.23 5.18 -0.04 3.82 1.01 0.97 -0.82 120.40 131.75 1pj6 s VAL 33 Ca 0.03 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1pj6 s VAL 33 Cb -0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1pj6 s VAL 33 CO -0.08 0.41 -0.08 -0.76 0.00 0.00 0.00 175.10 174.59 1pj6 s LEU 34 N 0.65 3.09 -0.10 3.92 1.43 -0.12 -0.93 118.68 126.62 1pj6 s LEU 34 Ca 0.06 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 1pj6 s LEU 34 Cb -0.12 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1pj6 s LEU 34 CO 0.01 0.33 0.26 -0.62 0.23 0.00 0.00 176.35 176.56 1pj6 s ASP 35 N -1.04 -0.28 0.47 2.29 2.15 -0.66 -0.22 116.67 119.38 1pj6 s ASP 35 Ca 0.14 0.53 0.26 0.00 0.43 0.00 0.00 52.55 53.91 1pj6 s ASP 35 Cb -0.11 0.52 1.07 0.00 -0.30 0.00 0.00 42.92 44.10 1pj6 s ASP 35 CO 0.04 -0.11 1.89 0.06 -0.17 0.00 0.00 175.17 176.88 1pj6 h GLN 36 N 6.02 0.00 -7.27 4.34 3.07 -1.74 0.75 115.11 120.28 1pj6 h GLN 36 Ca -0.29 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 58.00 1pj6 h GLN 36 Cb 1.19 0.00 0.09 0.00 0.08 0.00 0.00 27.48 28.83 1pj6 h GLN 36 CO 0.35 0.18 0.20 0.20 0.09 0.00 0.00 178.83 179.85 1pj6 s GLY 37 N -4.26 1.73 0.30 0.06 0.00 -1.26 -3.84 107.32 100.06 1pj6 s GLY 37 Ca -0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 1pj6 s GLY 37 CO 0.62 -0.70 1.16 2.56 0.00 0.00 0.00 173.10 176.73 1pj6 s PRO 38 N -5.24 4.52 0.48 2.90 0.04 -1.26 -0.62 135.00 135.83 1pj6 s PRO 38 Ca 0.63 1.91 0.17 0.00 0.04 0.00 0.00 61.00 63.74 1pj6 s PRO 38 Cb -0.09 -3.11 1.18 0.00 0.04 0.00 0.00 34.50 32.52 1pj6 s PRO 38 CO 0.45 0.07 2.05 -0.07 0.04 0.00 0.00 177.00 179.54 1pj6 h LEU 39 N 3.61 0.16 -0.79 -3.56 3.38 -1.92 -1.69 115.31 114.50 1pj6 h LEU 39 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1pj6 h LEU 39 Cb 1.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1pj6 h LEU 39 CO 0.66 0.11 0.00 -0.55 0.09 0.00 0.00 178.44 178.75 1pj6 h ASN 40 N 0.19 0.00 -0.72 -0.43 -1.07 -2.01 -3.38 115.58 108.16 1pj6 h ASN 40 Ca 0.16 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.40 1pj6 h ASN 40 Cb 0.41 0.00 -0.16 0.00 -2.07 0.00 0.00 38.32 36.50 1pj6 h ASN 40 CO -0.03 0.00 -0.42 0.80 0.07 0.00 0.00 177.43 177.85 1pj6 n MET 41 N -2.60 0.50 -0.34 4.14 0.00 -0.71 -5.05 117.12 113.06 1pj6 n MET 41 Ca 0.02 -1.77 0.11 0.00 0.00 0.00 0.00 57.70 56.06 1pj6 n MET 41 Cb 0.31 -1.20 0.31 0.00 0.00 0.00 0.00 33.22 32.65 1pj6 n MET 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1pj6 h PRO 42 N 4.69 0.79 0.00 2.12 0.11 -1.56 -3.37 132.00 134.78 1pj6 h PRO 42 Ca 0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1pj6 h PRO 42 Cb 1.11 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1pj6 h PRO 42 CO 0.03 0.52 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 1pj6 n GLY 43 N -1.36 0.75 0.00 -0.55 0.00 -1.26 -4.09 105.19 98.68 1pj6 n GLY 43 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1pj6 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj6 n GLY 44 N -2.07 -1.30 0.25 -0.02 0.00 -1.26 -2.51 105.19 98.30 1pj6 n GLY 44 Ca 0.00 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.46 1pj6 n GLY 44 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pj6 h SER 45 N -0.15 0.04 -0.44 1.61 0.02 -1.93 -1.36 113.55 111.34 1pj6 h SER 45 Ca 0.00 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1pj6 h SER 45 Cb 0.00 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1pj6 h SER 45 CO 0.00 0.08 0.29 0.74 -1.14 0.00 0.00 176.83 176.80 1pj6 h THR 46 N 0.05 1.05 0.00 -2.27 2.02 -1.93 -1.58 112.91 110.24 1pj6 h THR 46 Ca 0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1pj6 h THR 46 Cb 0.08 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1pj6 h THR 46 CO 0.00 0.09 0.00 -1.20 0.37 0.00 0.00 175.52 174.78 1pj6 n SER 47 N -4.48 0.00 0.00 4.18 7.64 -0.51 -3.03 113.62 117.43 1pj6 n SER 47 Ca 0.05 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1pj6 n SER 47 Cb 0.14 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1pj6 n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pj6 n HIS 48 N -1.15 0.00 -2.34 1.43 1.44 -0.63 -4.98 115.22 108.99 1pj6 n HIS 48 Ca 0.13 -0.14 -0.42 0.00 -2.01 0.00 0.00 57.72 55.28 1pj6 n HIS 48 Cb 0.12 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.18 1pj6 n HIS 48 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pj6 s ALA 49 N -0.28 3.46 -0.31 1.59 0.00 -0.97 -4.92 121.76 120.32 1pj6 s ALA 49 Ca 0.00 0.95 0.27 0.00 0.00 0.00 0.00 51.96 53.19 1pj6 s ALA 49 Cb 0.00 -3.46 0.89 0.00 0.00 0.00 0.00 23.12 20.55 1pj6 s ALA 49 CO 0.00 -0.46 1.79 -1.00 0.00 0.00 0.00 175.76 176.09 1pj6 h PRO 50 N 6.22 0.00 0.00 0.00 0.13 -1.92 -3.45 132.00 132.98 1pj6 h PRO 50 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1pj6 h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pj6 h PRO 50 CO 0.80 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 1pj6 n GLY 51 N 0.58 0.61 3.72 1.56 0.00 -1.26 -4.70 105.19 105.70 1pj6 n GLY 51 Ca 0.03 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1pj6 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj6 s LEU 52 N 0.00 4.37 -0.28 0.99 1.02 -1.26 -0.29 118.68 123.23 1pj6 s LEU 52 Ca 0.00 2.29 0.02 0.00 0.02 0.00 0.00 54.13 56.46 1pj6 s LEU 52 Cb 0.00 -3.59 0.07 0.00 0.02 0.00 0.00 46.19 42.70 1pj6 s LEU 52 CO 0.00 -0.63 -0.03 -0.69 0.02 0.00 0.00 176.35 175.02 1pj6 s VAL 53 N 1.08 1.93 -0.30 -1.59 1.01 0.03 -4.66 120.40 117.90 1pj6 s VAL 53 Ca 0.64 -1.72 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1pj6 s VAL 53 Cb -0.36 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1pj6 s VAL 53 CO 0.30 -0.27 0.10 -0.36 0.00 0.00 0.00 175.10 174.87 1pj6 s PHE 54 N 1.16 3.16 0.10 5.22 0.40 -1.26 -2.59 117.98 124.18 1pj6 s PHE 54 Ca -0.01 -0.93 -0.11 0.00 -0.60 0.00 0.00 56.93 55.29 1pj6 s PHE 54 Cb -0.19 -2.28 -0.16 0.00 0.51 0.00 0.00 43.02 40.90 1pj6 s PHE 54 CO -0.08 -0.57 1.27 1.96 0.70 0.00 0.00 175.22 178.50 1pj6 h GLN 55 N 8.26 0.65 -6.84 0.44 4.20 -1.94 -3.46 115.11 116.42 1pj6 h GLN 55 Ca -0.31 -0.63 -0.53 0.00 0.06 0.00 0.00 58.65 57.24 1pj6 h GLN 55 Cb 1.13 0.16 0.08 0.00 0.30 0.00 0.00 27.48 29.15 1pj6 h GLN 55 CO 0.61 1.23 0.78 0.99 -0.67 0.00 0.00 178.83 181.78 1pj6 s THR 56 N -3.45 2.32 -0.09 -0.54 2.01 -1.26 -4.37 115.64 110.27 1pj6 s THR 56 Ca -0.09 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1pj6 s THR 56 Cb 0.08 -3.19 0.07 0.00 0.01 0.00 0.00 72.50 69.48 1pj6 s THR 56 CO 0.90 0.06 0.71 0.21 -0.69 0.00 0.00 174.62 175.81 1pj6 s ASN 57 N 0.12 -0.65 0.56 3.53 3.84 -1.26 -5.00 114.94 116.08 1pj6 s ASN 57 Ca 0.57 0.79 0.31 0.00 0.21 0.00 0.00 52.86 54.74 1pj6 s ASN 57 Cb -0.45 0.64 1.64 0.00 -0.55 0.00 0.00 41.25 42.53 1pj6 s ASN 57 CO 0.52 -0.54 2.13 1.55 -2.79 0.00 0.00 177.10 177.97 1pj6 h PRO 58 N 3.23 0.00 -5.55 0.43 0.13 -1.97 -3.42 132.00 124.85 1pj6 h PRO 58 Ca -0.27 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.26 1pj6 h PRO 58 Cb 1.14 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 1pj6 h PRO 58 CO 0.34 0.07 0.11 0.45 -0.23 0.00 0.00 178.00 178.75 1pj6 s SER 59 N -5.98 6.60 0.20 1.44 0.15 -1.26 -4.96 113.70 109.89 1pj6 s SER 59 Ca -0.03 0.73 -0.10 0.00 0.70 0.00 0.00 55.95 57.25 1pj6 s SER 59 Cb 0.13 -2.33 0.24 0.00 -1.71 0.00 0.00 66.02 62.35 1pj6 s SER 59 CO 0.55 -0.31 1.78 0.50 1.20 0.00 0.00 173.24 176.96 1pj6 h LYS 60 N 7.73 0.52 -0.23 5.44 3.64 -1.99 0.07 116.57 131.74 1pj6 h LYS 60 Ca -0.29 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1pj6 h LYS 60 Cb 1.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1pj6 h LYS 60 CO 0.76 0.35 0.10 1.15 -2.27 0.00 0.00 179.45 179.54 1pj6 h THR 61 N 0.54 1.15 -0.62 1.00 2.02 -1.93 -0.54 112.91 114.54 1pj6 h THR 61 Ca 0.29 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1pj6 h THR 61 Cb 0.26 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1pj6 h THR 61 CO -0.22 0.15 0.14 0.24 0.37 0.00 0.00 175.52 176.20 1pj6 h MET 62 N 0.23 0.97 -0.63 6.66 2.86 -1.88 -0.89 114.93 122.25 1pj6 h MET 62 Ca 0.08 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1pj6 h MET 62 Cb 0.15 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1pj6 h MET 62 CO -0.01 0.87 0.25 0.00 1.06 0.00 0.00 176.91 179.08 1pj6 h ALA 63 N 1.22 0.83 -0.80 6.32 0.00 -0.72 -1.16 119.26 124.94 1pj6 h ALA 63 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1pj6 h ALA 63 Cb 0.35 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1pj6 h ALA 63 CO 0.00 0.45 0.34 0.66 0.00 0.00 0.00 179.25 180.70 1pj6 h SER 64 N 0.89 1.08 -0.98 0.00 4.64 -0.68 -0.45 113.55 118.05 1pj6 h SER 64 Ca 0.21 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1pj6 h SER 64 Cb 0.21 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 1pj6 h SER 64 CO -0.02 0.94 0.65 -0.26 -0.87 0.00 0.00 176.83 177.28 1pj6 h PHE 65 N 1.15 1.23 -0.33 4.77 0.05 -0.84 -1.37 116.94 121.61 1pj6 h PHE 65 Ca 0.27 0.03 -0.18 0.00 3.82 0.00 0.00 57.97 61.91 1pj6 h PHE 65 Cb 0.18 -0.42 -0.00 0.00 2.00 0.00 0.00 35.95 37.71 1pj6 h PHE 65 CO 0.02 0.78 -0.49 0.00 -0.18 0.00 0.00 178.31 178.44 1pj6 h ALA 66 N 1.39 0.50 -0.62 2.45 0.00 -0.71 -1.65 119.26 120.62 1pj6 h ALA 66 Ca 0.36 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1pj6 h ALA 66 Cb -0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1pj6 h ALA 66 CO -0.08 0.68 0.15 0.87 0.00 0.00 0.00 179.25 180.88 1pj6 h LYS 67 N 0.71 0.96 -0.50 0.00 1.57 -0.76 -1.33 116.57 117.23 1pj6 h LYS 67 Ca 0.03 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 1pj6 h LYS 67 Cb 1.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1pj6 h LYS 67 CO 0.11 0.85 -0.15 -0.92 -0.57 0.00 0.00 179.45 178.77 1pj6 h TYR 68 N 0.92 1.08 -0.62 -1.35 3.20 -1.17 -1.49 116.97 117.53 1pj6 h TYR 68 Ca 0.20 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1pj6 h TYR 68 Cb 0.32 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1pj6 h TYR 68 CO 0.02 1.03 0.34 1.15 -1.64 0.00 0.00 178.16 179.06 1pj6 h THR 69 N 0.85 1.20 0.09 1.81 2.02 -0.82 0.19 112.91 118.24 1pj6 h THR 69 Ca 0.13 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1pj6 h THR 69 Cb 0.70 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1pj6 h THR 69 CO 0.05 0.22 -0.11 0.58 0.37 0.00 0.00 175.52 176.63 1pj6 h VAL 70 N 0.85 0.74 -0.45 3.16 2.07 -1.06 0.13 116.25 121.69 1pj6 h VAL 70 Ca 0.22 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.76 1pj6 h VAL 70 Cb 0.04 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1pj6 h VAL 70 CO -0.04 0.00 0.26 -0.08 0.02 0.00 0.00 177.57 177.73 1pj6 h GLU 71 N -0.24 0.50 -0.24 1.57 4.81 -0.94 -1.45 114.58 118.59 1pj6 h GLU 71 Ca 0.01 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1pj6 h GLU 71 Cb 0.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1pj6 h GLU 71 CO -0.05 0.33 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.20 1pj6 h LYS 72 N 0.51 0.51 -0.06 1.92 3.64 -0.44 -2.63 116.57 120.02 1pj6 h LYS 72 Ca 0.18 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1pj6 h LYS 72 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1pj6 h LYS 72 CO -0.10 0.80 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.44 1pj6 h LEU 73 N 0.22 0.13 -1.50 5.20 3.38 -0.84 -1.57 115.31 120.34 1pj6 h LEU 73 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pj6 h LEU 73 Cb 0.66 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1pj6 h LEU 73 CO 0.04 0.50 0.30 -0.07 0.09 0.00 0.00 178.44 179.30 1pj6 h LEU 74 N 0.11 0.56 0.00 1.67 3.38 -1.13 -2.16 115.31 117.74 1pj6 h LEU 74 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pj6 h LEU 74 Cb 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pj6 h LEU 74 CO 0.05 0.42 -0.17 0.77 0.09 0.00 0.00 178.44 179.61 1pj6 h SER 75 N 0.65 0.00 -3.08 -0.43 4.64 -0.94 -3.43 113.55 110.96 1pj6 h SER 75 Ca 0.17 -0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.83 1pj6 h SER 75 Cb -0.05 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.89 1pj6 h SER 75 CO -0.03 0.01 0.30 -0.22 -0.87 0.00 0.00 176.83 176.02 1pj6 s LEU 76 N -5.68 4.65 0.05 5.97 2.96 -0.77 -4.99 118.68 120.88 1pj6 s LEU 76 Ca 0.07 -0.83 -0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1pj6 s LEU 76 Cb 0.07 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1pj6 s LEU 76 CO 0.67 -1.13 -0.04 0.28 -1.32 0.00 0.00 176.35 174.82 1pj6 s THR 77 N 3.30 0.31 -0.20 3.68 -1.32 -1.26 -1.52 115.64 118.64 1pj6 s THR 77 Ca 0.20 -1.69 -0.23 0.00 -1.21 0.00 0.00 61.69 58.77 1pj6 s THR 77 Cb -0.17 -1.35 0.06 0.00 -1.51 0.00 0.00 72.50 69.53 1pj6 s THR 77 CO 0.13 -0.88 0.62 -0.70 -2.21 0.00 0.00 174.62 171.57 1pj6 s GLU 78 N -3.48 0.77 -1.30 7.08 2.12 -0.94 -4.92 118.70 118.03 1pj6 s GLU 78 Ca 0.04 0.74 -0.03 0.00 0.36 0.00 0.00 54.97 56.08 1pj6 s GLU 78 Cb 0.04 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.82 1pj6 s GLU 78 CO -0.07 -0.12 0.21 -0.25 -0.54 0.00 0.00 175.26 174.48 1pj6 n ASP 79 N 2.43 -4.53 -0.15 -1.70 8.00 -1.26 -1.66 116.55 117.68 1pj6 n ASP 79 Ca -0.15 -0.05 -0.02 0.00 0.71 0.00 0.00 54.79 55.28 1pj6 n ASP 79 Cb 0.56 -3.78 -0.01 0.00 -0.02 0.00 0.00 41.12 37.87 1pj6 n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pj6 n GLY 80 N -1.04 0.52 3.05 0.44 0.00 -1.26 -5.02 105.19 101.88 1pj6 n GLY 80 Ca -0.13 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1pj6 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pj6 s VAL 81 N -1.88 1.67 0.50 1.61 1.01 -0.66 -5.13 120.40 117.51 1pj6 s VAL 81 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1pj6 s VAL 81 Cb 0.00 -1.54 0.11 0.00 0.00 0.00 0.00 36.38 34.95 1pj6 s VAL 81 CO 0.00 0.47 0.68 -1.54 0.00 0.00 0.00 175.10 174.72 1pj6 n SER 82 N 4.59 0.27 -1.61 3.32 3.41 -1.26 -2.21 113.62 120.12 1pj6 n SER 82 Ca -0.18 -1.38 0.08 0.00 -0.26 0.00 0.00 58.87 57.13 1pj6 n SER 82 Cb 0.50 -0.50 0.36 0.00 -0.26 0.00 0.00 64.21 64.32 1pj6 n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pj6 s PHE 84 N -2.64 0.28 -0.45 0.00 5.36 -1.19 -0.74 117.98 118.60 1pj6 s PHE 84 Ca 0.51 0.06 -0.10 0.00 -0.96 0.00 0.00 56.93 56.44 1pj6 s PHE 84 Cb 0.39 -0.50 0.10 0.00 -0.34 0.00 0.00 43.02 42.66 1pj6 s PHE 84 CO 0.16 -0.19 0.32 1.21 -1.46 0.00 0.00 175.22 175.26 1pj6 s ASN 85 N 1.60 5.74 -1.40 6.13 2.47 0.36 -4.82 114.94 125.03 1pj6 s ASN 85 Ca -0.02 -1.68 -0.12 0.00 0.42 0.00 0.00 52.86 51.47 1pj6 s ASN 85 Cb -0.13 -2.03 0.08 0.00 -1.45 0.00 0.00 41.25 37.73 1pj6 s ASN 85 CO -0.03 -0.63 2.15 1.67 -3.72 0.00 0.00 177.10 176.53 1pj6 n GLN 86 N 4.96 3.21 0.03 0.43 7.27 -1.26 -1.04 117.38 130.98 1pj6 n GLN 86 Ca -0.10 -2.93 0.13 0.00 0.07 0.00 0.00 57.00 54.17 1pj6 n GLN 86 Cb 0.42 -3.12 0.54 0.00 2.41 0.00 0.00 30.24 30.49 1pj6 n GLN 86 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1pj6 n VAL 87 N 4.30 0.24 0.00 1.69 0.24 -1.23 -4.94 118.33 118.64 1pj6 n VAL 87 Ca 0.49 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 1pj6 n VAL 87 Cb 0.37 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1pj6 n VAL 87 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj6 n GLY 88 N 1.29 -0.71 3.01 7.63 0.00 0.90 -3.43 105.19 113.88 1pj6 n GLY 88 Ca 0.06 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 1pj6 n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pj6 s GLY 89 N -1.98 -0.09 -0.09 -0.02 0.00 -0.47 -1.45 107.32 103.22 1pj6 s GLY 89 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1pj6 s GLY 89 CO 0.00 0.29 -0.07 -2.27 0.00 0.00 0.00 173.10 171.05 1pj6 s LEU 90 N 0.02 1.22 -0.23 0.66 2.96 0.35 -1.06 118.68 122.59 1pj6 s LEU 90 Ca -0.01 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1pj6 s LEU 90 Cb -0.01 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 1pj6 s LEU 90 CO 0.00 -0.09 0.10 -1.61 -1.32 0.00 0.00 176.35 173.43 1pj6 s GLU 91 N 1.45 3.86 0.10 1.98 2.02 -0.42 -0.77 118.70 126.93 1pj6 s GLU 91 Ca -0.01 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.62 1pj6 s GLU 91 Cb -0.13 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1pj6 s GLU 91 CO -0.05 -0.01 0.21 0.14 0.02 0.00 0.00 175.26 175.58 1pj6 s VAL 92 N 1.18 5.21 -0.14 2.63 -7.23 -0.77 -0.11 120.40 121.17 1pj6 s VAL 92 Ca 0.05 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.63 1pj6 s VAL 92 Cb -0.14 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 1pj6 s VAL 92 CO 0.04 0.04 -0.10 0.00 -0.31 0.00 0.00 175.10 174.78 1pj6 s ALA 93 N -1.59 2.75 -0.99 1.32 0.00 -0.38 -4.38 121.76 118.49 1pj6 s ALA 93 Ca 0.34 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1pj6 s ALA 93 Cb -0.12 -1.34 0.09 0.00 0.00 0.00 0.00 23.12 21.75 1pj6 s ALA 93 CO 0.27 0.22 0.83 0.25 0.00 0.00 0.00 175.76 177.33 1pj6 n THR 94 N 3.55 0.15 -4.25 0.00 -2.24 -1.26 -0.80 114.28 109.43 1pj6 n THR 94 Ca -0.18 -0.58 -0.17 0.00 -2.27 0.00 0.00 64.05 60.86 1pj6 n THR 94 Cb 0.53 1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 1pj6 n THR 94 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1pj6 s THR 95 N -0.74 1.31 0.33 4.28 -4.23 -1.26 -4.84 115.64 110.50 1pj6 s THR 95 Ca 0.11 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.79 1pj6 s THR 95 Cb 0.07 -1.69 0.11 0.00 1.34 0.00 0.00 72.50 72.33 1pj6 s THR 95 CO 0.11 -0.55 1.81 -0.33 -0.54 0.00 0.00 174.62 175.11 1pj6 h GLU 96 N 3.15 0.34 -0.50 3.99 5.08 -1.99 -0.70 114.58 123.95 1pj6 h GLU 96 Ca -0.38 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1pj6 h GLU 96 Cb 1.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1pj6 h GLU 96 CO 0.56 0.54 0.26 1.15 -1.00 0.00 0.00 179.01 180.52 1pj6 h THR 97 N 0.31 1.18 -0.49 1.13 2.02 -2.00 -1.95 112.91 113.11 1pj6 h THR 97 Ca 0.05 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 1pj6 h THR 97 Cb 0.55 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1pj6 h THR 97 CO 0.04 0.20 -0.16 -0.09 0.37 0.00 0.00 175.52 175.88 1pj6 h ARG 98 N 0.67 0.96 -0.59 6.66 9.65 -1.84 -1.96 114.38 127.93 1pj6 h ARG 98 Ca 0.17 -0.37 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1pj6 h ARG 98 Cb 0.08 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 1pj6 h ARG 98 CO -0.03 1.04 0.33 1.25 2.80 0.00 0.00 179.97 185.36 1pj6 h LEU 99 N 0.84 0.73 -0.55 3.80 5.85 -0.86 -0.52 115.31 124.60 1pj6 h LEU 99 Ca 0.12 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1pj6 h LEU 99 Cb 0.72 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1pj6 h LEU 99 CO 0.05 0.60 0.21 0.00 -0.34 0.00 0.00 178.44 178.97 1pj6 h ALA 100 N 1.15 0.72 -0.09 1.25 0.00 -1.23 -2.52 119.26 118.53 1pj6 h ALA 100 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1pj6 h ALA 100 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1pj6 h ALA 100 CO -0.03 0.34 -0.06 0.22 0.00 0.00 0.00 179.25 179.71 1pj6 h ASP 101 N 0.75 0.12 0.13 0.00 3.58 -0.62 -0.70 116.42 119.69 1pj6 h ASP 101 Ca 0.18 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 1pj6 h ASP 101 Cb 0.21 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1pj6 h ASP 101 CO -0.01 0.21 -0.15 -0.07 -2.88 0.00 0.00 179.24 176.33 1pj6 h LEU 102 N 0.14 0.05 -0.48 2.28 3.38 -0.68 -0.71 115.31 119.29 1pj6 h LEU 102 Ca 0.03 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1pj6 h LEU 102 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1pj6 h LEU 102 CO 0.01 0.21 -0.28 0.11 0.09 0.00 0.00 178.44 178.58 1pj6 h LYS 103 N 0.05 0.96 -0.89 1.13 1.57 -0.99 0.45 116.57 118.85 1pj6 h LYS 103 Ca 0.01 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1pj6 h LYS 103 Cb 0.30 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1pj6 h LYS 103 CO 0.02 1.10 0.56 -0.09 -0.57 0.00 0.00 179.45 180.47 1pj6 h ARG 104 N 0.81 1.20 -0.13 3.15 2.43 -1.05 -2.67 114.38 118.12 1pj6 h ARG 104 Ca 0.09 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1pj6 h ARG 104 Cb 0.86 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1pj6 h ARG 104 CO 0.08 0.82 -0.47 0.87 -1.51 0.00 0.00 179.97 179.76 1pj6 h LYS 105 N 1.22 0.33 -0.39 0.20 1.57 -0.69 -0.62 116.57 118.19 1pj6 h LYS 105 Ca 0.32 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1pj6 h LYS 105 Cb -0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1pj6 h LYS 105 CO -0.06 0.73 0.26 1.25 -0.57 0.00 0.00 179.45 181.06 1pj6 h LEU 106 N 0.26 0.32 -0.33 2.94 5.85 -0.74 -0.33 115.31 123.29 1pj6 h LEU 106 Ca 0.02 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1pj6 h LEU 106 Cb 0.92 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1pj6 h LEU 106 CO 0.08 0.22 -0.17 1.23 -0.34 0.00 0.00 178.44 179.45 1pj6 h GLY 107 N 0.37 0.76 0.62 3.75 0.00 -0.80 -2.17 103.07 105.60 1pj6 h GLY 107 Ca 0.17 -0.69 0.05 0.00 0.00 0.00 0.00 47.33 46.85 1pj6 h GLY 107 CO -0.04 0.63 0.11 -0.97 0.00 0.00 0.00 176.54 176.27 1pj6 h TYR 108 N 0.47 0.19 -0.27 5.60 0.05 -0.63 0.11 116.97 122.49 1pj6 h TYR 108 Ca 0.07 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.94 1pj6 h TYR 108 Cb 0.71 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 38.35 1pj6 h TYR 108 CO 0.06 0.06 -0.26 0.00 -1.05 0.00 0.00 178.16 176.98 1pj6 h ALA 109 N 1.26 -0.14 -0.79 3.88 0.00 -0.94 0.16 119.26 122.68 1pj6 h ALA 109 Ca 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1pj6 h ALA 109 Cb 0.17 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1pj6 h ALA 109 CO -0.20 -0.68 0.37 0.00 0.00 0.00 0.00 179.25 178.74 1pj6 h ALA 110 N 0.78 1.02 -0.74 0.00 0.00 -1.13 0.35 119.26 119.55 1pj6 h ALA 110 Ca 0.14 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1pj6 h ALA 110 Cb 0.48 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1pj6 h ALA 110 CO -0.42 0.60 0.43 0.00 0.00 0.00 0.00 179.25 179.86 1pj6 h ALA 111 N 1.19 1.00 -0.45 0.00 0.00 -0.16 -2.78 119.26 118.06 1pj6 h ALA 111 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pj6 h ALA 111 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pj6 h ALA 111 CO -0.03 0.12 0.00 0.91 0.00 0.00 0.00 179.25 180.25 1pj6 n TRP 112 N -4.74 0.59 -2.72 0.00 5.03 -0.03 -4.91 117.44 110.66 1pj6 n TRP 112 Ca 0.10 -0.29 -0.07 0.00 3.03 0.00 0.00 57.50 60.26 1pj6 n TRP 112 Cb 0.18 0.00 0.02 0.00 -1.03 0.00 0.00 31.31 30.48 1pj6 n TRP 112 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1pj6 n GLY 113 N 1.39 0.42 3.29 6.99 0.00 -0.52 -4.90 105.19 111.85 1pj6 n GLY 113 Ca 0.19 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1pj6 n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pj6 s ILE 114 N -2.97 2.80 0.09 -0.61 1.01 -0.00 -5.03 121.20 116.48 1pj6 s ILE 114 Ca 0.15 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 1pj6 s ILE 114 Cb -0.07 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1pj6 s ILE 114 CO 0.19 0.51 0.99 -1.83 0.00 0.00 0.00 174.94 174.79 1pj6 s GLU 115 N 0.79 4.65 0.27 2.79 4.04 -1.26 -3.96 118.70 126.02 1pj6 s GLU 115 Ca -0.05 1.48 -0.21 0.00 0.04 0.00 0.00 54.97 56.23 1pj6 s GLU 115 Cb -0.15 -3.39 0.04 0.00 0.02 0.00 0.00 34.13 30.65 1pj6 s GLU 115 CO 0.01 0.12 0.81 0.20 -1.84 0.00 0.00 175.26 174.56 1pj6 s GLY 116 N 0.26 0.01 -0.03 -3.83 0.00 -1.26 -4.22 107.32 98.24 1pj6 s GLY 116 Ca 0.49 -0.33 -0.09 0.00 0.00 0.00 0.00 44.72 44.79 1pj6 s GLY 116 CO 0.30 0.08 0.20 0.50 0.00 0.00 0.00 173.10 174.17 1pj6 s ARG 117 N -3.26 0.45 0.07 2.90 3.00 -0.17 -4.99 118.95 116.96 1pj6 s ARG 117 Ca 0.13 -0.13 -0.27 0.00 0.00 0.00 0.00 55.73 55.45 1pj6 s ARG 117 Cb -0.05 0.20 -0.06 0.00 0.00 0.00 0.00 34.95 35.05 1pj6 s ARG 117 CO 0.07 -0.10 0.86 -0.51 0.00 0.00 0.00 175.30 175.62 1pj6 s LEU 118 N -0.90 4.47 -0.07 2.53 1.43 -1.26 -0.81 118.68 124.07 1pj6 s LEU 118 Ca -0.10 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1pj6 s LEU 118 Cb -0.05 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1pj6 s LEU 118 CO 0.02 -0.03 -0.06 -0.76 0.23 0.00 0.00 176.35 175.75 1pj6 s LEU 119 N 0.00 3.23 0.94 1.79 1.43 0.85 -4.96 118.68 121.96 1pj6 s LEU 119 Ca 0.43 0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 1pj6 s LEU 119 Cb -0.22 -1.71 0.15 0.00 0.03 0.00 0.00 46.19 44.45 1pj6 s LEU 119 CO 0.26 0.36 1.10 -0.94 0.23 0.00 0.00 176.35 177.37 1pj6 s SER 120 N -0.80 3.17 0.25 2.29 1.04 -1.26 -1.30 113.70 117.08 1pj6 s SER 120 Ca 0.12 1.20 -0.04 0.00 0.48 0.00 0.00 55.95 57.72 1pj6 s SER 120 Cb -0.11 -1.86 0.47 0.00 0.10 0.00 0.00 66.02 64.63 1pj6 s SER 120 CO 0.02 -2.79 1.72 -0.65 0.98 0.00 0.00 173.24 172.51 1pj6 h PRO 121 N -1.66 0.40 -0.62 4.02 0.11 -1.82 -0.37 132.00 132.06 1pj6 h PRO 121 Ca -0.52 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1pj6 h PRO 121 Cb 1.32 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1pj6 h PRO 121 CO 0.58 0.26 0.35 0.00 -0.21 0.00 0.00 178.00 178.99 1pj6 h ALA 122 N 1.57 0.79 -0.19 -0.75 0.00 -1.93 -1.65 119.26 117.10 1pj6 h ALA 122 Ca 0.42 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1pj6 h ALA 122 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1pj6 h ALA 122 CO -0.43 0.29 -0.21 0.93 0.00 0.00 0.00 179.25 179.83 1pj6 h GLU 123 N 0.84 0.34 -0.56 0.00 5.08 -1.77 -1.69 114.58 116.81 1pj6 h GLU 123 Ca 0.22 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1pj6 h GLU 123 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1pj6 h GLU 123 CO -0.04 0.54 0.02 0.00 -1.00 0.00 0.00 179.01 178.53 1pj6 h GLN 125 N 0.88 0.87 -0.40 0.00 1.08 -0.69 0.17 115.11 117.02 1pj6 h GLN 125 Ca 0.17 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1pj6 h GLN 125 Cb 0.49 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1pj6 h GLN 125 CO 0.02 0.69 0.12 1.49 -0.95 0.00 0.00 178.83 180.20 1pj6 h GLU 126 N 0.83 0.63 -0.19 1.46 4.81 -1.17 -1.45 114.58 119.50 1pj6 h GLU 126 Ca 0.21 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 1pj6 h GLU 126 Cb 0.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1pj6 h GLU 126 CO -0.03 0.63 -0.50 1.25 -0.73 0.00 0.00 179.01 179.63 1pj6 h LEU 127 N 0.50 0.56 -5.86 1.64 5.85 -1.18 -3.40 115.31 113.44 1pj6 h LEU 127 Ca 0.13 -0.28 -0.50 0.00 0.84 0.00 0.00 57.88 58.06 1pj6 h LEU 127 Cb 0.27 -0.16 -0.35 0.00 0.37 0.00 0.00 40.66 40.79 1pj6 h LEU 127 CO -0.00 0.97 -0.99 0.00 -0.34 0.00 0.00 178.44 178.07 1pj6 n TYR 128 N -3.97 -0.93 0.33 1.25 9.36 0.57 -4.85 117.16 118.91 1pj6 n TYR 128 Ca -0.03 -3.23 0.22 0.00 3.32 0.00 0.00 57.90 58.19 1pj6 n TYR 128 Cb 0.57 0.02 1.17 0.00 -0.63 0.00 0.00 39.34 40.47 1pj6 n TYR 128 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1pj6 h PRO 129 N 4.14 0.00 0.00 2.98 0.13 -1.46 -1.75 132.00 136.03 1pj6 h PRO 129 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1pj6 h PRO 129 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1pj6 h PRO 129 CO 0.43 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.13 1pj6 h LEU 130 N 0.00 0.00 -9.56 1.56 3.38 -1.93 -3.43 115.31 105.32 1pj6 h LEU 130 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1pj6 h LEU 130 Cb 0.03 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.82 1pj6 h LEU 130 CO 0.00 0.00 0.94 -0.76 0.09 0.00 0.00 178.44 178.71 1pj6 s LEU 131 N -5.79 4.37 -0.30 1.67 1.43 -0.66 -4.23 118.68 115.17 1pj6 s LEU 131 Ca 0.00 2.61 -0.29 0.00 -1.03 0.00 0.00 54.13 55.43 1pj6 s LEU 131 Cb 0.10 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1pj6 s LEU 131 CO 0.47 -0.87 1.66 -0.62 0.23 0.00 0.00 176.35 177.22 1pj6 s ASP 132 N 1.61 6.17 0.47 2.29 -1.08 -0.20 -4.91 116.67 121.02 1pj6 s ASP 132 Ca 0.72 1.36 0.32 0.00 -0.52 0.00 0.00 52.55 54.43 1pj6 s ASP 132 Cb -0.43 -2.53 1.50 0.00 -1.46 0.00 0.00 42.92 39.99 1pj6 s ASP 132 CO 0.32 -1.48 1.96 1.23 0.52 0.00 0.00 175.17 177.72 1pj6 h GLY 133 N 12.61 0.00 1.10 2.66 0.00 -1.92 -3.19 103.07 114.33 1pj6 h GLY 133 Ca -0.33 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.06 1pj6 h GLY 133 CO 1.03 0.00 0.46 1.05 0.00 0.00 0.00 176.54 179.07 1pj6 h GLU 134 N 0.00 0.71 0.00 4.80 9.09 -1.98 -1.61 114.58 125.59 1pj6 h GLU 134 Ca 0.00 -0.04 -0.08 0.00 0.05 0.00 0.00 59.36 59.29 1pj6 h GLU 134 Cb 0.27 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 1pj6 h GLU 134 CO 0.00 0.47 -0.36 -0.91 0.05 0.00 0.00 179.01 178.26 1pj6 h ASN 135 N 0.73 0.00 -3.76 3.06 2.35 -1.94 -3.46 115.58 112.56 1pj6 h ASN 135 Ca 0.29 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.41 1pj6 h ASN 135 Cb 0.23 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.45 1pj6 h ASN 135 CO -0.09 0.36 -0.30 -0.63 -1.65 0.00 0.00 177.43 175.12 1pj6 s ILE 136 N -3.50 5.20 -0.43 2.81 -1.09 -0.61 -4.30 121.20 119.28 1pj6 s ILE 136 Ca 0.01 0.45 0.23 0.00 -2.23 0.00 0.00 60.65 59.11 1pj6 s ILE 136 Cb 0.10 -3.67 -0.14 0.00 -1.58 0.00 0.00 42.46 37.17 1pj6 s ILE 136 CO 0.68 0.16 0.91 0.18 -1.23 0.00 0.00 174.94 175.64 1pj6 n LEU 137 N 5.28 0.55 0.00 2.97 4.77 0.02 -4.62 117.00 125.96 1pj6 n LEU 137 Ca -0.10 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1pj6 n LEU 137 Cb 0.51 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1pj6 n LEU 137 CO 0.36 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1pj6 n GLY 138 N 1.31 0.82 3.28 -0.72 0.00 -1.25 -4.31 105.19 104.33 1pj6 n GLY 138 Ca 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1pj6 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pj6 s GLY 139 N 0.00 0.15 -0.20 -0.02 0.00 -0.42 -1.25 107.32 105.58 1pj6 s GLY 139 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 44.72 44.10 1pj6 s GLY 139 CO 0.00 -0.72 -0.11 -2.27 0.00 0.00 0.00 173.10 170.00 1pj6 s LEU 140 N -2.89 2.58 -0.19 0.66 2.96 0.85 -0.10 118.68 122.55 1pj6 s LEU 140 Ca 0.09 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1pj6 s LEU 140 Cb 0.04 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1pj6 s LEU 140 CO -0.07 -0.01 -0.09 -2.28 -1.32 0.00 0.00 176.35 172.58 1pj6 s HIS 141 N 1.40 2.90 -0.33 5.38 5.65 0.01 -1.30 115.29 129.00 1pj6 s HIS 141 Ca 0.05 -0.89 0.02 0.00 0.25 0.00 0.00 55.06 54.50 1pj6 s HIS 141 Cb -0.14 -2.00 0.10 0.00 -1.18 0.00 0.00 32.58 29.36 1pj6 s HIS 141 CO -0.07 -0.45 0.07 0.08 -0.65 0.00 0.00 174.74 173.72 1pj6 s VAL 142 N 1.06 1.82 0.64 0.89 1.01 -0.23 -0.99 120.40 124.60 1pj6 s VAL 142 Ca 0.00 -2.05 0.36 0.00 0.00 0.00 0.00 61.98 60.30 1pj6 s VAL 142 Cb -0.15 -2.35 0.39 0.00 0.00 0.00 0.00 36.38 34.27 1pj6 s VAL 142 CO -0.01 -0.63 2.23 -0.65 0.00 0.00 0.00 175.10 176.04 1pj6 h PRO 143 N 7.75 0.00 -0.01 2.72 0.11 -1.83 -1.14 132.00 139.61 1pj6 h PRO 143 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1pj6 h PRO 143 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1pj6 h PRO 143 CO 0.51 0.00 -0.28 -1.13 -0.21 0.00 0.00 178.00 176.88 1pj6 n SER 144 N -3.36 0.95 -4.14 -2.05 3.41 -1.26 -3.06 113.62 104.11 1pj6 n SER 144 Ca -0.02 -0.81 -0.29 0.00 -0.26 0.00 0.00 58.87 57.49 1pj6 n SER 144 Cb 0.17 0.14 0.22 0.00 -0.26 0.00 0.00 64.21 64.48 1pj6 n SER 144 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1pj6 s ASP 145 N -2.56 1.37 0.00 4.04 1.01 -0.98 -4.80 116.67 114.75 1pj6 s ASP 145 Ca 0.23 0.88 0.00 0.00 0.71 0.00 0.00 52.55 54.37 1pj6 s ASP 145 Cb 0.19 -1.31 0.00 0.00 1.01 0.00 0.00 42.92 42.81 1pj6 s ASP 145 CO 0.54 -3.87 0.00 0.61 0.21 0.00 0.00 175.17 172.65 1pj6 n GLY 146 N -0.76 -0.51 3.31 0.21 0.00 -1.07 -0.07 105.19 106.29 1pj6 n GLY 146 Ca 0.10 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1pj6 n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj6 s LEU 147 N 0.00 2.83 0.27 0.99 1.43 -0.21 -0.79 118.68 123.22 1pj6 s LEU 147 Ca 0.00 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 52.47 1pj6 s LEU 147 Cb 0.00 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 1pj6 s LEU 147 CO 0.00 0.00 0.84 0.00 0.23 0.00 0.00 176.35 177.42 1pj6 s ALA 148 N 1.34 3.31 -1.07 4.21 0.00 0.61 -0.48 121.76 129.67 1pj6 s ALA 148 Ca 0.04 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 1pj6 s ALA 148 Cb -0.14 -3.00 0.27 0.00 0.00 0.00 0.00 23.12 20.24 1pj6 s ALA 148 CO -0.03 0.25 1.06 -1.12 0.00 0.00 0.00 175.76 175.91 1pj6 s SER 149 N -1.64 7.18 0.15 0.00 0.01 0.08 -4.43 113.70 115.05 1pj6 s SER 149 Ca 0.47 -3.51 -0.11 0.00 1.31 0.00 0.00 55.95 54.11 1pj6 s SER 149 Cb -0.18 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1pj6 s SER 149 CO 0.22 -0.31 1.52 0.00 0.41 0.00 0.00 173.24 175.08 1pj6 h ALA 150 N 6.74 0.64 -0.39 1.44 0.00 -1.87 -0.21 119.26 125.60 1pj6 h ALA 150 Ca 0.17 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1pj6 h ALA 150 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1pj6 h ALA 150 CO 0.98 0.67 -0.34 0.00 0.00 0.00 0.00 179.25 180.56 1pj6 h ALA 151 N 0.83 0.65 -0.79 0.00 0.00 -1.92 -1.52 119.26 116.52 1pj6 h ALA 151 Ca 0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1pj6 h ALA 151 Cb 0.86 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1pj6 h ALA 151 CO 0.08 0.67 0.34 -0.09 0.00 0.00 0.00 179.25 180.25 1pj6 h ARG 152 N 0.75 1.16 -0.48 0.00 2.43 -1.94 -2.11 114.38 114.18 1pj6 h ARG 152 Ca 0.07 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1pj6 h ARG 152 Cb 0.92 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1pj6 h ARG 152 CO 0.08 0.92 0.32 0.00 -1.51 0.00 0.00 179.97 179.78 1pj6 h ALA 153 N 1.18 0.61 -0.58 2.80 0.00 -0.68 -0.40 119.26 122.18 1pj6 h ALA 153 Ca 0.27 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1pj6 h ALA 153 Cb 0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1pj6 h ALA 153 CO -0.03 0.05 0.26 0.28 0.00 0.00 0.00 179.25 179.81 1pj6 h VAL 154 N 0.64 0.87 -0.56 0.00 2.07 -1.02 0.21 116.25 118.46 1pj6 h VAL 154 Ca 0.18 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1pj6 h VAL 154 Cb -0.06 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1pj6 h VAL 154 CO -0.05 0.09 0.07 1.56 0.02 0.00 0.00 177.57 179.26 1pj6 h GLN 155 N 0.48 0.94 -0.01 1.57 1.08 -0.63 -0.34 115.11 118.21 1pj6 h GLN 155 Ca 0.27 -0.26 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 1pj6 h GLN 155 Cb 0.26 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1pj6 h GLN 155 CO -0.23 0.92 -0.60 -0.07 -0.95 0.00 0.00 178.83 177.89 1pj6 h LEU 156 N 0.84 0.03 -0.37 1.46 3.38 -0.68 -1.47 115.31 118.50 1pj6 h LEU 156 Ca 0.17 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 1pj6 h LEU 156 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pj6 h LEU 156 CO 0.01 0.62 -0.38 -0.07 0.09 0.00 0.00 178.44 178.72 1pj6 h LEU 157 N 0.02 0.97 -0.09 1.67 3.38 -0.18 -1.91 115.31 119.18 1pj6 h LEU 157 Ca -0.01 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1pj6 h LEU 157 Cb 1.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1pj6 h LEU 157 CO 0.08 1.24 0.04 0.40 0.09 0.00 0.00 178.44 180.29 1pj6 h ILE 158 N 0.71 1.00 -0.26 1.22 2.04 -0.93 -1.34 117.51 119.95 1pj6 h ILE 158 Ca 0.06 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1pj6 h ILE 158 Cb 0.98 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1pj6 h ILE 158 CO 0.09 0.02 -0.04 0.11 0.00 0.00 0.00 178.15 178.33 1pj6 h LYS 159 N 0.09 0.03 0.00 2.37 1.57 -1.18 0.07 116.57 119.51 1pj6 h LYS 159 Ca 0.04 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 1pj6 h LYS 159 Cb 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1pj6 h LYS 159 CO -0.03 0.02 -0.98 0.07 -0.57 0.00 0.00 179.45 177.96 1pj6 h ARG 160 N 0.03 0.00 -0.24 3.15 0.11 -1.23 -2.65 114.38 113.54 1pj6 h ARG 160 Ca 0.13 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.07 1pj6 h ARG 160 Cb 0.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1pj6 h ARG 160 CO -0.25 0.98 -0.43 1.79 0.10 0.00 0.00 179.97 182.17 1pj6 h THR 161 N 0.00 1.30 -0.82 0.08 1.35 -1.15 -2.77 112.91 110.90 1pj6 h THR 161 Ca -0.01 -1.61 0.02 0.00 -0.55 0.00 0.00 66.41 64.27 1pj6 h THR 161 Cb 1.75 1.58 -0.05 0.00 -1.73 0.00 0.00 68.15 69.70 1pj6 h THR 161 CO 0.13 0.51 0.53 -0.33 -0.25 0.00 0.00 175.52 176.11 1pj6 h GLU 162 N 0.47 1.03 -0.22 4.72 5.08 -0.95 -1.14 114.58 123.57 1pj6 h GLU 162 Ca 0.04 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1pj6 h GLU 162 Cb 0.94 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1pj6 h GLU 162 CO 0.08 0.68 0.15 0.77 -1.00 0.00 0.00 179.01 179.69 1pj6 h SER 163 N 1.06 0.18 -0.15 1.42 0.02 -1.37 -1.12 113.55 113.59 1pj6 h SER 163 Ca 0.32 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1pj6 h SER 163 Cb -0.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1pj6 h SER 163 CO -0.10 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 1pj6 n ALA 164 N -2.52 2.52 0.00 3.77 0.00 -0.67 -4.93 120.51 118.67 1pj6 n ALA 164 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1pj6 n ALA 164 Cb 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1pj6 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj6 n GLY 165 N 1.14 0.65 3.76 0.00 0.00 -0.42 -4.91 105.19 105.41 1pj6 n GLY 165 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1pj6 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pj6 s VAL 166 N -2.00 3.27 -0.14 1.61 1.01 -0.52 -4.72 120.40 118.91 1pj6 s VAL 166 Ca 0.00 1.26 -0.07 0.00 0.00 0.00 0.00 61.98 63.17 1pj6 s VAL 166 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1pj6 s VAL 166 CO 0.00 0.28 0.10 -0.89 0.00 0.00 0.00 175.10 174.59 1pj6 s THR 167 N -1.19 5.13 -0.11 3.92 2.01 -0.40 -4.23 115.64 120.76 1pj6 s THR 167 Ca 0.47 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1pj6 s THR 167 Cb -0.34 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1pj6 s THR 167 CO 0.43 0.54 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.44 1pj6 s TYR 168 N -0.40 2.72 -0.42 4.92 1.51 -1.26 -0.02 117.35 124.40 1pj6 s TYR 168 Ca 0.11 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1pj6 s TYR 168 Cb -0.12 -1.79 0.12 0.00 -0.11 0.00 0.00 41.96 40.06 1pj6 s TYR 168 CO 0.02 -0.24 0.16 1.03 -1.11 0.00 0.00 175.55 175.41 1pj6 s ARG 169 N 0.26 1.54 1.02 -0.62 0.52 -0.10 -4.96 118.95 116.61 1pj6 s ARG 169 Ca -0.11 -2.08 -0.17 0.00 -0.52 0.00 0.00 55.73 52.85 1pj6 s ARG 169 Cb -0.16 -2.97 0.22 0.00 0.52 0.00 0.00 34.95 32.56 1pj6 s ARG 169 CO 0.06 -1.04 1.26 0.20 0.02 0.00 0.00 175.30 175.80 1pj6 s GLY 170 N 0.46 1.72 -1.22 -3.53 0.00 -1.26 -1.65 107.32 101.84 1pj6 s GLY 170 Ca 0.14 -1.11 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 1pj6 s GLY 170 CO -0.06 -0.32 0.37 1.44 0.00 0.00 0.00 173.10 174.54 1pj6 n SER 171 N -4.03 -3.86 -3.89 1.64 7.64 0.21 -4.81 113.62 106.52 1pj6 n SER 171 Ca 0.14 -0.23 -0.28 0.00 1.01 0.00 0.00 58.87 59.51 1pj6 n SER 171 Cb 0.59 -3.21 -0.16 0.00 -1.01 0.00 0.00 64.21 60.42 1pj6 n SER 171 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1pj6 s THR 172 N -2.85 1.11 -0.25 0.44 2.01 0.09 -4.91 115.64 111.26 1pj6 s THR 172 Ca 0.29 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1pj6 s THR 172 Cb -0.15 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 1pj6 s THR 172 CO 0.36 0.14 0.17 -0.89 -0.69 0.00 0.00 174.62 173.71 1pj6 s THR 173 N 1.64 5.31 0.05 -0.82 2.01 -1.26 -2.17 115.64 120.40 1pj6 s THR 173 Ca 0.01 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.87 1pj6 s THR 173 Cb -0.15 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 1pj6 s THR 173 CO -0.08 0.31 1.25 -0.69 -0.69 0.00 0.00 174.62 174.72 1pj6 s VAL 174 N 1.32 3.91 -0.16 3.82 1.01 -1.26 -4.25 120.40 124.78 1pj6 s VAL 174 Ca 0.07 1.35 0.07 0.00 0.00 0.00 0.00 61.98 63.47 1pj6 s VAL 174 Cb -0.14 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1pj6 s VAL 174 CO 0.07 0.09 0.22 0.35 0.00 0.00 0.00 175.10 175.82 1pj6 n THR 175 N 4.06 0.00 -3.84 3.92 -2.24 0.34 -5.00 114.28 111.52 1pj6 n THR 175 Ca 0.10 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 1pj6 n THR 175 Cb 0.45 0.67 0.01 0.00 -2.10 0.00 0.00 70.33 69.36 1pj6 n THR 175 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pj6 s GLY 176 N -2.21 0.01 -0.06 3.38 0.00 -1.16 -5.00 107.32 102.28 1pj6 s GLY 176 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.55 1pj6 s GLY 176 CO 0.28 1.68 -0.09 -0.42 0.00 0.00 0.00 173.10 174.55 1pj6 s ILE 177 N -2.46 0.93 0.06 0.90 -1.09 -1.26 -0.66 121.20 117.61 1pj6 s ILE 177 Ca 0.19 -0.34 -0.17 0.00 -2.23 0.00 0.00 60.65 58.10 1pj6 s ILE 177 Cb -0.02 -0.89 -0.06 0.00 -1.58 0.00 0.00 42.46 39.91 1pj6 s ILE 177 CO 0.04 0.32 0.52 -0.70 -1.23 0.00 0.00 174.94 173.88 1pj6 s GLU 178 N 0.87 4.09 0.07 2.79 2.12 0.11 -4.92 118.70 123.83 1pj6 s GLU 178 Ca -0.11 0.61 -0.08 0.00 0.36 0.00 0.00 54.97 55.75 1pj6 s GLU 178 Cb -0.15 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1pj6 s GLU 178 CO 0.01 0.64 0.16 1.14 -0.54 0.00 0.00 175.26 176.67 1pj6 s GLN 179 N -1.18 0.76 -0.20 4.30 -2.07 -1.26 -1.34 119.66 118.66 1pj6 s GLN 179 Ca 0.28 -0.89 -0.17 0.00 -1.82 0.00 0.00 55.36 52.76 1pj6 s GLN 179 Cb -0.18 0.30 0.05 0.00 -1.09 0.00 0.00 33.01 32.10 1pj6 s GLN 179 CO 0.17 -0.22 0.52 0.45 -1.32 0.00 0.00 175.29 174.89 1pj6 s SER 180 N -2.61 -0.57 -1.89 12.60 0.15 -0.49 -4.88 113.70 116.00 1pj6 s SER 180 Ca 0.02 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1pj6 s SER 180 Cb 0.03 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1pj6 s SER 180 CO -0.09 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1pj6 n GLY 181 N 3.09 0.53 1.97 9.45 0.00 -1.26 -2.12 105.19 116.86 1pj6 n GLY 181 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1pj6 n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj6 n GLY 182 N -0.80 0.48 3.22 -0.02 0.00 -1.26 -5.04 105.19 101.77 1pj6 n GLY 182 Ca -0.22 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 1pj6 n GLY 182 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pj6 s ARG 183 N -0.43 0.96 0.36 1.61 3.03 -0.90 -1.18 118.95 122.39 1pj6 s ARG 183 Ca 0.00 -1.11 -0.27 0.00 2.03 0.00 0.00 55.73 56.38 1pj6 s ARG 183 Cb 0.00 -0.95 -0.09 0.00 -1.03 0.00 0.00 34.95 32.87 1pj6 s ARG 183 CO 0.00 0.20 1.20 0.54 -1.13 0.00 0.00 175.30 176.11 1pj6 s VAL 184 N -1.62 3.06 0.00 4.99 0.11 -0.36 -1.40 120.40 125.19 1pj6 s VAL 184 Ca 0.04 0.98 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1pj6 s VAL 184 Cb -0.08 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1pj6 s VAL 184 CO 0.03 0.17 0.00 0.35 -3.33 0.00 0.00 175.10 172.32 1pj6 n THR 185 N 0.51 0.00 0.00 5.04 -2.24 -0.45 -4.63 114.28 112.52 1pj6 n THR 185 Ca 0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1pj6 n THR 185 Cb 0.45 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1pj6 n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pj6 n GLY 186 N 0.97 -0.26 3.08 3.38 0.00 -1.06 -1.66 105.19 109.64 1pj6 n GLY 186 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1pj6 n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pj6 s VAL 187 N -2.00 1.57 -0.01 1.61 1.01 0.25 -0.72 120.40 122.10 1pj6 s VAL 187 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 1pj6 s VAL 187 Cb 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1pj6 s VAL 187 CO 0.00 0.45 0.52 -1.10 0.00 0.00 0.00 175.10 174.97 1pj6 s GLN 188 N 0.83 4.21 0.37 2.72 -0.21 0.17 -0.80 119.66 126.95 1pj6 s GLN 188 Ca -0.10 0.60 0.04 0.00 0.02 0.00 0.00 55.36 55.92 1pj6 s GLN 188 Cb -0.16 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 1pj6 s GLN 188 CO 0.01 0.45 0.13 0.95 -2.12 0.00 0.00 175.29 174.70 1pj6 s THR 189 N -0.38 0.61 0.61 -0.19 -4.23 -0.28 -0.50 115.64 111.27 1pj6 s THR 189 Ca 0.28 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.09 1pj6 s THR 189 Cb -0.17 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.57 1pj6 s THR 189 CO 0.15 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.29 1pj6 h ALA 190 N 1.95 1.73 -0.59 3.99 0.00 -1.98 -2.77 119.26 121.58 1pj6 h ALA 190 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pj6 h ALA 190 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1pj6 h ALA 190 CO 0.57 -0.34 0.00 -0.25 0.00 0.00 0.00 179.25 179.23 1pj6 n ASP 191 N -3.60 3.77 0.00 0.00 8.00 -1.26 -5.07 116.55 118.39 1pj6 n ASP 191 Ca 0.02 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.42 1pj6 n ASP 191 Cb 0.37 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1pj6 n ASP 191 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pj6 n GLY 192 N 1.15 0.55 3.75 0.44 0.00 -1.05 -5.05 105.19 104.99 1pj6 n GLY 192 Ca 0.21 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 1pj6 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pj6 s VAL 193 N -0.63 5.19 -0.25 1.61 1.01 -1.26 -1.12 120.40 124.95 1pj6 s VAL 193 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 1pj6 s VAL 193 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1pj6 s VAL 193 CO 0.00 0.52 0.36 -0.63 0.00 0.00 0.00 175.10 175.35 1pj6 s ILE 194 N -0.22 5.20 0.52 2.22 1.01 0.02 -4.91 121.20 125.04 1pj6 s ILE 194 Ca 0.10 0.57 -0.21 0.00 0.00 0.00 0.00 60.65 61.10 1pj6 s ILE 194 Cb -0.12 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1pj6 s ILE 194 CO 0.01 0.20 1.22 -2.16 0.00 0.00 0.00 174.94 174.20 1pj6 s PRO 195 N 1.78 3.37 -0.17 2.79 0.04 -1.26 -0.59 135.00 140.97 1pj6 s PRO 195 Ca 0.15 1.88 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 1pj6 s PRO 195 Cb -0.15 -2.21 0.06 0.00 0.04 0.00 0.00 34.50 32.24 1pj6 s PRO 195 CO 0.09 -0.90 0.60 0.00 0.04 0.00 0.00 177.00 176.83 1pj6 s ALA 196 N -1.52 -1.49 -0.10 8.56 0.00 -0.66 -4.83 121.76 121.71 1pj6 s ALA 196 Ca 0.70 1.51 0.15 0.00 0.00 0.00 0.00 51.96 54.32 1pj6 s ALA 196 Cb -0.31 -0.70 -0.23 0.00 0.00 0.00 0.00 23.12 21.88 1pj6 s ALA 196 CO 0.36 -0.30 0.51 -0.25 0.00 0.00 0.00 175.76 176.09 1pj6 n ASP 197 N 2.25 0.60 -3.92 0.00 8.00 0.67 -3.75 116.55 120.39 1pj6 n ASP 197 Ca -0.15 0.28 -0.19 0.00 0.71 0.00 0.00 54.79 55.44 1pj6 n ASP 197 Cb 0.56 0.32 -0.16 0.00 -0.02 0.00 0.00 41.12 41.82 1pj6 n ASP 197 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pj6 s ILE 198 N -2.64 0.54 -0.10 0.53 1.01 -0.62 -4.66 121.20 115.27 1pj6 s ILE 198 Ca -0.06 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1pj6 s ILE 198 Cb 0.08 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 42.03 1pj6 s ILE 198 CO 0.83 0.20 -0.17 -0.69 0.00 0.00 0.00 174.94 175.11 1pj6 s VAL 199 N 0.57 1.59 -0.19 2.92 1.01 -0.01 -1.07 120.40 125.21 1pj6 s VAL 199 Ca -0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1pj6 s VAL 199 Cb -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1pj6 s VAL 199 CO 0.00 0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1pj6 s VAL 200 N 0.75 2.86 -0.53 2.92 1.01 -0.23 -0.61 120.40 126.57 1pj6 s VAL 200 Ca -0.11 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 1pj6 s VAL 200 Cb -0.16 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.00 1pj6 s VAL 200 CO 0.02 0.48 0.99 -0.55 0.00 0.00 0.00 175.10 176.04 1pj6 s SER 201 N 1.27 6.42 -0.43 3.32 0.15 0.68 -0.83 113.70 124.28 1pj6 s SER 201 Ca 0.03 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.63 1pj6 s SER 201 Cb -0.14 -2.47 0.42 0.00 -1.71 0.00 0.00 66.02 62.13 1pj6 s SER 201 CO -0.05 -1.23 1.18 0.00 1.20 0.00 0.00 173.24 174.34 1pj6 n ALA 203 N -0.53 2.94 -0.58 0.00 0.00 -1.14 -4.27 120.51 116.93 1pj6 n ALA 203 Ca 0.41 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1pj6 n ALA 203 Cb 0.70 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1pj6 n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj6 n GLY 204 N 0.87 3.03 0.00 0.00 0.00 -1.26 -1.39 105.19 106.44 1pj6 n GLY 204 Ca 0.18 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1pj6 n GLY 204 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pj6 n PHE 205 N 14.00 0.00 1.68 1.61 1.16 -1.26 -1.18 117.46 133.47 1pj6 n PHE 205 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.68 1pj6 n PHE 205 Cb 0.00 -0.25 0.47 0.00 -1.61 0.00 0.00 39.48 38.09 1pj6 n PHE 205 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 1pj6 n TRP 206 N -1.25 0.09 -0.10 2.97 8.01 -0.49 -4.43 117.44 122.23 1pj6 n TRP 206 Ca 0.09 -0.04 0.06 0.00 -1.31 0.00 0.00 57.50 56.30 1pj6 n TRP 206 Cb 0.14 0.00 0.39 0.00 -2.01 0.00 0.00 31.31 29.83 1pj6 n TRP 206 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 1pj6 h GLY 207 N 5.26 0.76 1.40 6.99 0.00 -1.24 -1.09 103.07 115.16 1pj6 h GLY 207 Ca 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1pj6 h GLY 207 CO 0.00 0.21 -0.53 0.00 0.00 0.00 0.00 176.54 176.22 1pj6 h ALA 208 N 1.66 0.66 -0.51 3.60 0.00 -1.78 -0.33 119.26 122.55 1pj6 h ALA 208 Ca 0.25 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1pj6 h ALA 208 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1pj6 h ALA 208 CO -0.07 0.68 0.27 -0.22 0.00 0.00 0.00 179.25 179.91 1pj6 h LYS 209 N 0.49 0.73 -0.46 0.00 3.64 -1.65 -1.37 116.57 117.94 1pj6 h LYS 209 Ca 0.01 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1pj6 h LYS 209 Cb 1.09 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1pj6 h LYS 209 CO 0.11 0.59 0.14 0.82 -2.27 0.00 0.00 179.45 178.83 1pj6 h ILE 210 N 0.68 1.22 -0.96 2.00 1.08 -1.16 -3.03 117.51 117.35 1pj6 h ILE 210 Ca 0.18 -0.75 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1pj6 h ILE 210 Cb 0.08 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 1pj6 h ILE 210 CO -0.03 0.27 0.64 1.23 -0.69 0.00 0.00 178.15 179.57 1pj6 h GLY 211 N 0.61 1.35 1.38 5.37 0.00 -0.72 -0.48 103.07 110.58 1pj6 h GLY 211 Ca 0.15 -0.51 0.06 0.00 0.00 0.00 0.00 47.33 47.03 1pj6 h GLY 211 CO -0.00 0.50 0.25 0.00 0.00 0.00 0.00 176.54 177.29 1pj6 h ALA 212 N 1.35 1.81 0.00 3.60 0.00 -1.13 -0.64 119.26 124.25 1pj6 h ALA 212 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1pj6 h ALA 212 Cb -0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pj6 h ALA 212 CO -0.08 -0.36 0.00 0.52 0.00 0.00 0.00 179.25 179.33 1pj6 h MET 213 N 0.00 0.00 0.00 0.00 2.07 -1.11 -2.39 114.93 113.51 1pj6 h MET 213 Ca 0.10 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1pj6 h MET 213 Cb 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.33 1pj6 h MET 213 CO -0.00 0.00 -0.06 0.44 1.07 0.00 0.00 176.91 178.36 1pj6 n ILE 214 N -3.06 1.02 -1.89 -1.22 -5.35 -0.58 -4.45 119.36 103.82 1pj6 n ILE 214 Ca -0.02 -1.14 -0.11 0.00 -0.27 0.00 0.00 62.75 61.20 1pj6 n ILE 214 Cb 0.12 0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 1pj6 n ILE 214 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pj6 n GLY 215 N -0.67 0.40 3.76 3.28 0.00 -0.90 -4.91 105.19 106.16 1pj6 n GLY 215 Ca 0.05 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1pj6 n GLY 215 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pj6 s MET 216 N -3.98 4.03 -0.33 1.61 0.00 -0.35 -4.98 119.30 115.30 1pj6 s MET 216 Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 55.69 55.24 1pj6 s MET 216 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 34.83 31.47 1pj6 s MET 216 CO 0.00 0.40 0.85 0.00 0.00 0.00 0.00 175.02 176.27 1pj6 s ALA 217 N 0.06 3.49 -0.36 4.11 0.00 -1.26 -3.46 121.76 124.34 1pj6 s ALA 217 Ca 0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 1pj6 s ALA 217 Cb -0.11 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.66 1pj6 s ALA 217 CO -0.01 -1.36 0.14 0.08 0.00 0.00 0.00 175.76 174.61 1pj6 s VAL 218 N 3.16 3.75 -1.40 0.00 1.01 -1.26 -5.02 120.40 120.65 1pj6 s VAL 218 Ca 0.35 -1.30 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1pj6 s VAL 218 Cb -0.13 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.13 1pj6 s VAL 218 CO 0.15 -0.29 2.15 -0.81 0.00 0.00 0.00 175.10 176.29 1pj6 n PRO 219 N 4.79 3.27 -4.31 2.72 -0.04 -1.26 -4.48 135.00 135.69 1pj6 n PRO 219 Ca -0.11 -2.97 -0.21 0.00 -0.04 0.00 0.00 63.50 60.17 1pj6 n PRO 219 Cb 0.44 -3.09 -0.11 0.00 -0.04 0.00 0.00 33.50 30.69 1pj6 n PRO 219 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1pj6 s LEU 220 N 0.98 2.41 -0.10 1.53 0.05 -1.26 -4.19 118.68 118.10 1pj6 s LEU 220 Ca 0.46 -0.83 0.03 0.00 0.05 0.00 0.00 54.13 53.85 1pj6 s LEU 220 Cb 0.13 -0.78 0.01 0.00 -2.05 0.00 0.00 46.19 43.49 1pj6 s LEU 220 CO -0.05 -0.04 -0.21 -0.22 -0.55 0.00 0.00 176.35 175.27 1pj6 s LEU 221 N -2.51 1.99 0.08 1.48 2.96 0.46 -4.80 118.68 118.34 1pj6 s LEU 221 Ca 0.13 -0.52 -0.31 0.00 -0.22 0.00 0.00 54.13 53.22 1pj6 s LEU 221 Cb -0.06 -1.30 -0.07 0.00 0.50 0.00 0.00 46.19 45.26 1pj6 s LEU 221 CO 0.06 0.11 1.35 -2.84 -1.32 0.00 0.00 176.35 173.71 1pj6 s PRO 222 N 0.53 4.33 0.03 0.98 0.02 -1.26 -1.58 135.00 138.05 1pj6 s PRO 222 Ca -0.15 1.99 0.01 0.00 0.02 0.00 0.00 61.00 62.87 1pj6 s PRO 222 Cb -0.17 -3.34 -0.02 0.00 0.02 0.00 0.00 34.50 30.99 1pj6 s PRO 222 CO 0.05 -0.43 -0.05 -0.51 -0.33 0.00 0.00 177.00 175.74 1pj6 s LEU 223 N 1.38 2.24 0.08 -5.54 1.43 -0.42 -1.43 118.68 116.42 1pj6 s LEU 223 Ca 0.63 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1pj6 s LEU 223 Cb -0.34 0.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1pj6 s LEU 223 CO 0.29 -0.26 0.24 0.00 0.23 0.00 0.00 176.35 176.86 1pj6 s ALA 224 N -1.39 3.97 -0.02 4.21 0.00 -0.32 -0.66 121.76 127.56 1pj6 s ALA 224 Ca -0.13 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1pj6 s ALA 224 Cb -0.10 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.17 1pj6 s ALA 224 CO -0.00 0.77 0.05 -1.58 0.00 0.00 0.00 175.76 175.00 1pj6 s HIS 225 N -1.56 -0.04 0.21 0.00 5.04 0.13 -4.40 115.29 114.67 1pj6 s HIS 225 Ca 0.36 0.17 -0.25 0.00 -1.54 0.00 0.00 55.06 53.79 1pj6 s HIS 225 Cb -0.13 -0.07 -0.08 0.00 0.04 0.00 0.00 32.58 32.34 1pj6 s HIS 225 CO 0.28 -0.06 0.82 -0.65 -2.34 0.00 0.00 174.74 172.78 1pj6 s GLN 226 N 0.46 4.57 -0.01 2.88 -0.21 -1.16 0.05 119.66 126.23 1pj6 s GLN 226 Ca -0.04 1.19 0.00 0.00 0.02 0.00 0.00 55.36 56.54 1pj6 s GLN 226 Cb -0.05 -3.14 0.01 0.00 1.00 0.00 0.00 33.01 30.83 1pj6 s GLN 226 CO -0.02 0.50 0.00 -0.47 -2.12 0.00 0.00 175.29 173.18 1pj6 s TYR 227 N -1.28 0.16 0.02 0.91 5.04 -0.87 -1.37 117.35 119.96 1pj6 s TYR 227 Ca 0.40 0.02 0.05 0.00 -2.44 0.00 0.00 57.07 55.10 1pj6 s TYR 227 Cb -0.22 -0.21 -0.02 0.00 0.35 0.00 0.00 41.96 41.86 1pj6 s TYR 227 CO 0.26 -0.06 -0.16 0.08 -1.34 0.00 0.00 175.55 174.33 1pj6 s VAL 228 N 0.54 1.23 -0.12 3.14 1.01 0.20 -1.83 120.40 124.57 1pj6 s VAL 228 Ca -0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1pj6 s VAL 228 Cb -0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1pj6 s VAL 228 CO -0.01 0.15 -0.08 -0.54 0.00 0.00 0.00 175.10 174.61 1pj6 s LYS 229 N -0.89 3.34 0.77 2.72 1.02 0.37 -0.00 119.74 127.07 1pj6 s LYS 229 Ca 0.04 -0.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.32 1pj6 s LYS 229 Cb -0.07 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.57 1pj6 s LYS 229 CO 0.01 0.34 1.15 0.95 -0.92 0.00 0.00 175.35 176.87 1pj6 s THR 230 N 0.07 2.53 1.06 2.17 -4.23 -0.20 -0.87 115.64 116.16 1pj6 s THR 230 Ca -0.02 0.17 -0.13 0.00 -1.18 0.00 0.00 61.69 60.53 1pj6 s THR 230 Cb -0.14 -3.17 0.22 0.00 1.34 0.00 0.00 72.50 70.76 1pj6 s THR 230 CO 0.03 -0.22 1.07 0.42 -0.54 0.00 0.00 174.62 175.39 1pj6 s THR 231 N -3.50 1.99 0.14 3.99 -4.23 0.01 -4.49 115.64 109.54 1pj6 s THR 231 Ca 0.61 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.77 1pj6 s THR 231 Cb -0.11 -2.38 -0.15 0.00 1.34 0.00 0.00 72.50 71.20 1pj6 s THR 231 CO 0.50 0.00 1.42 -2.65 -0.54 0.00 0.00 174.62 173.35 1pj6 n PRO 232 N -4.43 1.62 -3.17 3.99 -0.02 -1.26 -4.53 135.00 127.20 1pj6 n PRO 232 Ca 0.04 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1pj6 n PRO 232 Cb 0.57 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1pj6 n PRO 232 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pj6 s VAL 233 N 0.51 5.00 0.22 -1.45 1.01 -0.03 -4.72 120.40 120.94 1pj6 s VAL 233 Ca 0.79 0.91 -0.08 0.00 0.00 0.00 0.00 61.98 63.60 1pj6 s VAL 233 Cb -0.81 -3.91 0.19 0.00 0.00 0.00 0.00 36.38 31.85 1pj6 s VAL 233 CO 0.44 -0.02 1.69 -0.65 0.00 0.00 0.00 175.10 176.57 1pj6 h PRO 234 N 8.06 0.23 -0.03 2.72 0.11 -1.84 -0.38 132.00 140.88 1pj6 h PRO 234 Ca -0.28 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.83 1pj6 h PRO 234 Cb 1.13 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1pj6 h PRO 234 CO 0.76 0.15 0.09 0.00 -0.21 0.00 0.00 178.00 178.80 1pj6 h ALA 235 N 1.54 1.28 -0.01 -0.75 0.00 -1.94 -1.97 119.26 117.41 1pj6 h ALA 235 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1pj6 h ALA 235 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pj6 h ALA 235 CO -0.46 -0.11 -0.20 1.04 0.00 0.00 0.00 179.25 179.52 1pj6 n GLN 236 N -3.29 1.29 -1.68 0.00 1.13 -0.16 -4.96 117.38 109.71 1pj6 n GLN 236 Ca -0.02 -0.88 -0.51 0.00 -1.94 0.00 0.00 57.00 53.66 1pj6 n GLN 236 Cb 0.17 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.98 1pj6 n GLN 236 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1pj6 n GLN 237 N -0.09 1.83 -0.99 -1.09 7.27 -0.74 -1.85 117.38 121.71 1pj6 n GLN 237 Ca 0.14 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.87 1pj6 n GLN 237 Cb 0.40 -2.44 0.00 0.00 2.41 0.00 0.00 30.24 30.61 1pj6 n GLN 237 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pj6 n GLY 238 N 4.05 0.55 0.13 1.69 0.00 -1.26 -4.91 105.19 105.44 1pj6 n GLY 238 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1pj6 n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj6 n ARG 239 N -2.60 0.73 -4.25 1.61 1.74 -0.77 -4.97 116.66 108.16 1pj6 n ARG 239 Ca 0.00 0.26 -0.25 0.00 -0.77 0.00 0.00 57.85 57.09 1pj6 n ARG 239 Cb 0.03 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 29.67 1pj6 n ARG 239 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1pj6 s ASN 240 N -6.84 4.65 0.23 0.55 0.01 -1.26 -5.02 114.94 107.26 1pj6 s ASN 240 Ca -0.19 -0.50 -0.31 0.00 -0.71 0.00 0.00 52.86 51.15 1pj6 s ASN 240 Cb 0.07 -0.93 -0.11 0.00 0.41 0.00 0.00 41.25 40.69 1pj6 s ASN 240 CO 0.78 0.05 1.55 -1.81 -1.51 0.00 0.00 177.10 176.16 1pj6 s ASP 241 N -3.23 6.53 0.42 -1.22 1.01 -1.26 -4.76 116.67 114.16 1pj6 s ASP 241 Ca 0.29 2.75 -0.08 0.00 0.71 0.00 0.00 52.55 56.21 1pj6 s ASP 241 Cb -0.08 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 1pj6 s ASP 241 CO 0.19 -0.82 0.76 -1.10 0.21 0.00 0.00 175.17 174.41 1pj6 s GLN 242 N 0.17 3.69 0.00 8.23 -1.52 -1.26 -0.96 119.66 128.01 1pj6 s GLN 242 Ca 0.65 0.35 0.26 0.00 -1.95 0.00 0.00 55.36 54.66 1pj6 s GLN 242 Cb -0.45 -2.40 0.55 0.00 -0.22 0.00 0.00 33.01 30.49 1pj6 s GLN 242 CO 0.40 -0.08 1.45 -0.35 -0.25 0.00 0.00 175.29 176.47 1pj6 n PRO 243 N -1.60 1.71 -0.82 2.91 -0.04 -1.26 -4.73 135.00 131.17 1pj6 n PRO 243 Ca 0.01 -1.24 0.01 0.00 -0.04 0.00 0.00 63.50 62.25 1pj6 n PRO 243 Cb 0.54 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 1pj6 n PRO 243 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1pj6 n ASN 244 N 0.43 0.32 -4.77 3.54 5.15 -1.22 -3.13 115.26 115.57 1pj6 n ASN 244 Ca 0.15 -1.99 -0.30 0.00 -0.60 0.00 0.00 54.58 51.84 1pj6 n ASN 244 Cb 0.46 -0.23 0.10 0.00 -0.53 0.00 0.00 39.78 39.58 1pj6 n ASN 244 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1pj6 s GLY 245 N -1.31 1.63 -0.18 8.20 0.00 -0.14 -4.21 107.32 111.31 1pj6 s GLY 245 Ca 0.11 -0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.58 1pj6 s GLY 245 CO -0.05 0.36 0.51 0.00 0.00 0.00 0.00 173.10 173.91 1pj6 s ALA 246 N -3.03 -1.25 0.00 3.20 0.00 -1.26 -0.06 121.76 119.35 1pj6 s ALA 246 Ca 0.61 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1pj6 s ALA 246 Cb -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1pj6 s ALA 246 CO 0.55 -0.24 0.00 0.54 0.00 0.00 0.00 175.76 176.61 1pj6 n ARG 247 N 2.75 2.68 -2.68 0.00 1.74 -1.26 -4.97 116.66 114.93 1pj6 n ARG 247 Ca -0.14 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.64 1pj6 n ARG 247 Cb 0.56 -0.86 -0.03 0.00 -1.02 0.00 0.00 32.46 31.11 1pj6 n ARG 247 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pj6 s LEU 248 N -3.00 3.74 0.65 0.55 1.43 -1.26 -4.89 118.68 115.89 1pj6 s LEU 248 Ca 0.00 1.25 -0.18 0.00 -1.03 0.00 0.00 54.13 54.17 1pj6 s LEU 248 Cb 0.00 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 1pj6 s LEU 248 CO 0.00 -0.48 1.28 -0.81 0.23 0.00 0.00 176.35 176.57 1pj6 n PRO 249 N -1.47 1.10 -1.80 1.29 -0.04 -1.22 -4.84 135.00 128.02 1pj6 n PRO 249 Ca 0.04 0.43 -0.37 0.00 -0.04 0.00 0.00 63.50 63.56 1pj6 n PRO 249 Cb 0.54 -2.52 0.06 0.00 -0.04 0.00 0.00 33.50 31.54 1pj6 n PRO 249 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1pj6 s ILE 250 N -1.39 2.15 -0.11 0.52 -4.36 -0.53 -4.72 121.20 112.76 1pj6 s ILE 250 Ca 0.83 0.09 0.01 0.00 -0.26 0.00 0.00 60.65 61.32 1pj6 s ILE 250 Cb -0.38 -3.04 0.02 0.00 1.25 0.00 0.00 42.46 40.31 1pj6 s ILE 250 CO 0.40 -0.02 -0.13 -0.22 0.24 0.00 0.00 174.94 175.21 1pj6 s LEU 251 N -4.29 1.59 -0.12 0.37 2.96 -0.77 -0.49 118.68 117.94 1pj6 s LEU 251 Ca 0.81 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1pj6 s LEU 251 Cb -0.36 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 1pj6 s LEU 251 CO 0.38 -0.02 0.01 -0.13 -1.32 0.00 0.00 176.35 175.27 1pj6 s ARG 252 N 1.18 3.31 -0.55 1.98 0.52 0.05 -0.31 118.95 125.14 1pj6 s ARG 252 Ca -0.03 -0.41 0.07 0.00 -0.52 0.00 0.00 55.73 54.83 1pj6 s ARG 252 Cb -0.14 -2.90 0.26 0.00 0.52 0.00 0.00 34.95 32.69 1pj6 s ARG 252 CO -0.04 0.54 0.69 1.58 0.02 0.00 0.00 175.30 178.08 1pj6 n HIS 253 N 2.66 2.26 0.25 -0.53 -0.00 0.08 -1.85 115.22 118.09 1pj6 n HIS 253 Ca -0.18 -3.94 0.09 0.00 -0.00 0.00 0.00 57.72 53.69 1pj6 n HIS 253 Cb 0.53 -0.48 0.64 0.00 -0.00 0.00 0.00 29.99 30.68 1pj6 n HIS 253 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1pj6 h GLN 254 N 4.01 0.00 0.00 1.57 4.20 -1.76 -1.86 115.11 121.27 1pj6 h GLN 254 Ca 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1pj6 h GLN 254 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1pj6 h GLN 254 CO 0.70 0.13 -0.00 -0.44 -0.67 0.00 0.00 178.83 178.55 1pj6 h ASP 255 N 0.00 0.00 0.00 1.46 3.32 -1.85 -2.11 116.42 117.23 1pj6 h ASP 255 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pj6 h ASP 255 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1pj6 h ASP 255 CO 0.02 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.51 1pj6 n GLN 256 N -3.08 1.74 -3.14 3.56 1.13 -0.74 -5.00 117.38 111.85 1pj6 n GLN 256 Ca -0.02 -2.09 -0.20 0.00 -1.94 0.00 0.00 57.00 52.74 1pj6 n GLN 256 Cb 0.12 -1.26 0.05 0.00 0.11 0.00 0.00 30.24 29.26 1pj6 n GLN 256 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pj6 n ASP 257 N -1.02 -5.72 -4.24 1.08 8.00 -0.80 -4.65 116.55 109.20 1pj6 n ASP 257 Ca 0.10 -0.34 -0.20 0.00 0.71 0.00 0.00 54.79 55.06 1pj6 n ASP 257 Cb 0.51 -4.47 -0.12 0.00 -0.02 0.00 0.00 41.12 37.03 1pj6 n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pj6 s LEU 258 N -6.19 2.35 0.10 0.64 1.43 -0.97 -1.02 118.68 115.03 1pj6 s LEU 258 Ca 0.37 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1pj6 s LEU 258 Cb -0.16 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 1pj6 s LEU 258 CO 0.45 -0.07 0.06 -0.72 0.23 0.00 0.00 176.35 176.30 1pj6 s TYR 259 N -1.70 0.64 0.01 0.29 -0.85 -0.12 -0.74 117.35 114.89 1pj6 s TYR 259 Ca 0.06 -1.08 -0.06 0.00 -0.52 0.00 0.00 57.07 55.47 1pj6 s TYR 259 Cb -0.07 -0.38 -0.00 0.00 0.38 0.00 0.00 41.96 41.88 1pj6 s TYR 259 CO 0.03 -0.49 0.10 0.71 -1.52 0.00 0.00 175.55 174.39 1pj6 s TYR 260 N -3.98 0.10 0.13 -3.49 1.51 0.58 -0.73 117.35 111.46 1pj6 s TYR 260 Ca 0.16 -0.25 -0.06 0.00 -1.01 0.00 0.00 57.07 55.91 1pj6 s TYR 260 Cb 0.07 -0.09 -0.02 0.00 -0.11 0.00 0.00 41.96 41.82 1pj6 s TYR 260 CO -0.04 -0.28 0.18 -0.98 -1.11 0.00 0.00 175.55 173.32 1pj6 s ARG 261 N -1.54 0.97 0.27 -0.62 1.70 -0.92 -1.84 118.95 116.97 1pj6 s ARG 261 Ca -0.14 -1.19 -0.17 0.00 -0.47 0.00 0.00 55.73 53.76 1pj6 s ARG 261 Cb -0.07 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.54 1pj6 s ARG 261 CO 0.00 -0.31 0.73 -1.21 -1.08 0.00 0.00 175.30 173.43 1pj6 s GLU 262 N -3.96 4.13 -0.52 3.89 2.02 -1.26 -0.45 118.70 122.55 1pj6 s GLU 262 Ca 0.15 0.77 0.03 0.00 0.02 0.00 0.00 54.97 55.94 1pj6 s GLU 262 Cb 0.05 -2.66 0.15 0.00 0.10 0.00 0.00 34.13 31.77 1pj6 s GLU 262 CO -0.03 0.28 0.34 -1.01 0.02 0.00 0.00 175.26 174.85 1pj6 s HIS 263 N -1.75 2.36 0.00 1.61 3.76 0.02 -4.60 115.29 116.69 1pj6 s HIS 263 Ca 0.48 -2.73 0.00 0.00 -0.15 0.00 0.00 55.06 52.66 1pj6 s HIS 263 Cb -0.13 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.56 1pj6 s HIS 263 CO 0.19 -0.72 0.00 0.41 -0.85 0.00 0.00 174.74 173.77 1pj6 n GLY 264 N 2.90 3.04 1.00 -2.22 0.00 0.91 -1.45 105.19 109.37 1pj6 n GLY 264 Ca 0.16 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1pj6 n GLY 264 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pj6 n ASP 265 N 5.87 2.90 -4.92 1.61 5.68 -1.26 -4.68 116.55 121.74 1pj6 n ASP 265 Ca 0.00 -2.05 -0.21 0.00 -0.50 0.00 0.00 54.79 52.03 1pj6 n ASP 265 Cb 0.00 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 39.59 1pj6 n ASP 265 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1pj6 s ARG 266 N -1.38 3.06 -0.01 0.11 0.52 -0.53 -0.85 118.95 119.87 1pj6 s ARG 266 Ca 0.35 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1pj6 s ARG 266 Cb 0.19 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 1pj6 s ARG 266 CO 0.23 0.22 -0.06 0.71 0.02 0.00 0.00 175.30 176.43 1pj6 s TYR 267 N -2.15 2.93 -0.14 -0.53 1.51 -1.26 -0.80 117.35 116.90 1pj6 s TYR 267 Ca 0.39 -0.01 -0.05 0.00 -1.01 0.00 0.00 57.07 56.39 1pj6 s TYR 267 Cb -0.08 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1pj6 s TYR 267 CO 0.28 0.39 0.05 0.20 -1.11 0.00 0.00 175.55 175.35 1pj6 s GLY 268 N -1.37 1.91 -0.17 0.71 0.00 0.40 -1.03 107.32 107.76 1pj6 s GLY 268 Ca 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1pj6 s GLY 268 CO 0.07 -0.23 -0.10 -0.42 0.00 0.00 0.00 173.10 172.42 1pj6 s ILE 269 N -0.26 1.49 -0.16 0.90 1.01 1.00 -2.16 121.20 123.01 1pj6 s ILE 269 Ca 0.08 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 1pj6 s ILE 269 Cb -0.12 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1pj6 s ILE 269 CO 0.02 0.26 0.17 -0.83 0.00 0.00 0.00 174.94 174.55 1pj6 s GLY 270 N 1.48 2.11 -0.09 6.18 0.00 0.09 -0.63 107.32 116.46 1pj6 s GLY 270 Ca 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.12 1pj6 s GLY 270 CO -0.09 0.04 -0.12 -0.45 0.00 0.00 0.00 173.10 172.48 1pj6 s SER 271 N -0.06 2.11 -0.08 1.64 0.15 -0.47 -0.94 113.70 116.05 1pj6 s SER 271 Ca 0.12 -0.34 0.17 0.00 0.70 0.00 0.00 55.95 56.60 1pj6 s SER 271 Cb -0.12 -0.91 0.59 0.00 -1.71 0.00 0.00 66.02 63.87 1pj6 s SER 271 CO 0.01 -0.02 1.51 -1.22 1.20 0.00 0.00 173.24 174.72 1pj6 n TYR 272 N 4.29 1.11 -1.70 3.44 4.02 -0.19 -3.01 117.16 125.13 1pj6 n TYR 272 Ca -0.19 -0.60 -0.37 0.00 -0.01 0.00 0.00 57.90 56.73 1pj6 n TYR 272 Cb 0.51 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.64 1pj6 n TYR 272 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pj6 n ALA 273 N 0.86 6.99 -3.62 -0.72 0.00 -1.24 -4.84 120.51 117.95 1pj6 n ALA 273 Ca 0.22 -3.72 -0.10 0.00 0.00 0.00 0.00 53.44 49.84 1pj6 n ALA 273 Cb 0.75 -2.87 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 1pj6 n ALA 273 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1pj6 s HIS 274 N -0.13 -0.38 0.53 0.00 -3.43 -1.26 -4.70 115.29 105.92 1pj6 s HIS 274 Ca 0.60 0.06 -0.21 0.00 -0.80 0.00 0.00 55.06 54.70 1pj6 s HIS 274 Cb 0.21 0.63 -0.07 0.00 -1.43 0.00 0.00 32.58 31.92 1pj6 s HIS 274 CO -0.09 -1.02 1.04 2.89 -2.00 0.00 0.00 174.74 175.56 1pj6 n ARG 275 N -0.42 1.20 -1.73 -0.38 1.85 -1.26 -4.93 116.66 110.98 1pj6 n ARG 275 Ca -0.11 0.44 -0.39 0.00 -1.00 0.00 0.00 57.85 56.79 1pj6 n ARG 275 Cb 0.62 -2.19 0.03 0.00 -1.05 0.00 0.00 32.46 29.88 1pj6 n ARG 275 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1pj6 n PRO 276 N -0.57 1.87 -3.59 2.89 -0.04 -1.26 -4.96 135.00 129.33 1pj6 n PRO 276 Ca 0.11 0.68 -0.27 0.00 -0.04 0.00 0.00 63.50 63.98 1pj6 n PRO 276 Cb 0.44 -2.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.26 1pj6 n PRO 276 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1pj6 n MET 277 N -0.57 0.96 -1.91 0.54 2.81 -1.26 -5.05 117.12 112.64 1pj6 n MET 277 Ca 0.08 -3.76 -0.39 0.00 -1.81 0.00 0.00 57.70 51.81 1pj6 n MET 277 Cb 0.43 -1.92 0.01 0.00 -0.71 0.00 0.00 33.22 31.03 1pj6 n MET 277 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1pj6 s PRO 278 N -0.72 3.75 -0.06 0.03 0.02 -1.26 -1.17 135.00 135.59 1pj6 s PRO 278 Ca 0.30 2.28 0.05 0.00 0.02 0.00 0.00 61.00 63.66 1pj6 s PRO 278 Cb 0.02 -2.65 -0.01 0.00 0.02 0.00 0.00 34.50 31.88 1pj6 s PRO 278 CO -0.18 -0.72 -0.23 0.08 -0.33 0.00 0.00 177.00 175.62 1pj6 s VAL 279 N -1.24 1.92 -0.50 3.83 1.01 -0.51 -4.87 120.40 120.03 1pj6 s VAL 279 Ca 0.60 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1pj6 s VAL 279 Cb -0.41 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1pj6 s VAL 279 CO 0.52 0.54 0.71 -0.62 0.00 0.00 0.00 175.10 176.25 1pj6 s ASP 280 N -0.06 6.27 0.58 3.32 -1.08 -1.26 -4.55 116.67 119.89 1pj6 s ASP 280 Ca -0.06 -0.65 0.30 0.00 -0.52 0.00 0.00 52.55 51.63 1pj6 s ASP 280 Cb -0.14 -2.33 1.79 0.00 -1.46 0.00 0.00 42.92 40.78 1pj6 s ASP 280 CO 0.04 -0.95 2.23 -0.37 0.52 0.00 0.00 175.17 176.63 1pj6 h VAL 281 N 5.91 0.50 0.00 1.11 -1.51 -1.96 -1.26 116.25 119.03 1pj6 h VAL 281 Ca -0.27 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1pj6 h VAL 281 Cb 1.09 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1pj6 h VAL 281 CO 0.98 0.02 0.00 0.47 -1.23 0.00 0.00 177.57 177.81 1pj6 n ASP 282 N -3.75 0.00 -0.46 4.19 8.00 -1.26 -2.51 116.55 120.76 1pj6 n ASP 282 Ca -0.03 0.39 0.12 0.00 0.71 0.00 0.00 54.79 55.98 1pj6 n ASP 282 Cb 0.11 -0.45 0.20 0.00 -0.02 0.00 0.00 41.12 40.96 1pj6 n ASP 282 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pj6 n THR 283 N -1.45 0.00 0.20 -3.53 -2.24 -0.47 -4.48 114.28 102.30 1pj6 n THR 283 Ca 0.06 -0.24 0.05 0.00 -2.27 0.00 0.00 64.05 61.66 1pj6 n THR 283 Cb 0.24 0.90 0.41 0.00 -2.10 0.00 0.00 70.33 69.78 1pj6 n THR 283 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pj6 h LEU 284 N 2.27 0.00 0.00 3.22 3.38 -1.62 -3.49 115.31 119.07 1pj6 h LEU 284 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pj6 h LEU 284 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1pj6 h LEU 284 CO 0.00 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1pj6 n GLY 285 N -0.23 -0.98 3.66 0.83 0.00 -1.26 -4.85 105.19 102.36 1pj6 n GLY 285 Ca -0.01 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 1pj6 n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj6 s ALA 286 N -2.93 3.68 -0.12 4.61 0.00 -1.26 -5.00 121.76 120.73 1pj6 s ALA 286 Ca 0.00 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 1pj6 s ALA 286 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1pj6 s ALA 286 CO 0.00 -1.06 0.85 0.71 0.00 0.00 0.00 175.76 176.25 1pj6 s TYR 287 N 3.20 3.49 0.15 0.00 1.51 -1.26 -5.00 117.35 119.44 1pj6 s TYR 287 Ca 0.44 1.35 -0.31 0.00 -1.01 0.00 0.00 57.07 57.53 1pj6 s TYR 287 Cb -0.15 -3.01 -0.10 0.00 -0.11 0.00 0.00 41.96 38.59 1pj6 s TYR 287 CO 0.07 -0.15 1.66 0.00 -1.11 0.00 0.00 175.55 176.02 1pj6 s ALA 288 N 1.73 3.80 0.38 3.71 0.00 -1.26 -4.88 121.76 125.24 1pj6 s ALA 288 Ca 0.41 1.41 0.10 0.00 0.00 0.00 0.00 51.96 53.89 1pj6 s ALA 288 Cb -0.17 -3.67 0.88 0.00 0.00 0.00 0.00 23.12 20.15 1pj6 s ALA 288 CO 0.16 -0.93 1.90 -1.00 0.00 0.00 0.00 175.76 175.89 1pj6 h PRO 289 N 7.29 0.60 0.00 0.00 0.13 -1.95 -0.67 132.00 137.40 1pj6 h PRO 289 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1pj6 h PRO 289 Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1pj6 h PRO 289 CO 0.93 0.40 0.00 1.05 -0.23 0.00 0.00 178.00 180.15 1pj6 h GLU 290 N 0.62 0.00 -0.00 0.86 9.09 -1.98 -2.73 114.58 120.44 1pj6 h GLU 290 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 1pj6 h GLU 290 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1pj6 h GLU 290 CO -0.17 0.00 -0.59 0.25 0.05 0.00 0.00 179.01 178.55 1pj6 n THR 291 N -2.96 0.00 -2.43 -1.06 -2.24 -0.26 -4.92 114.28 100.40 1pj6 n THR 291 Ca -0.01 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1pj6 n THR 291 Cb 0.15 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1pj6 n THR 291 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1pj6 s VAL 292 N -2.91 4.20 0.34 2.28 1.01 -1.03 -4.84 120.40 119.44 1pj6 s VAL 292 Ca 0.12 1.53 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 1pj6 s VAL 292 Cb 0.17 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1pj6 s VAL 292 CO 0.71 -0.00 0.44 -0.94 0.00 0.00 0.00 175.10 175.31 1pj6 s SER 293 N 1.53 1.03 0.24 3.32 1.04 -0.26 -5.00 113.70 115.59 1pj6 s SER 293 Ca 0.57 -1.53 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 1pj6 s SER 293 Cb -0.25 0.64 0.44 0.00 0.10 0.00 0.00 66.02 66.95 1pj6 s SER 293 CO 0.22 -1.25 1.75 -0.08 0.98 0.00 0.00 173.24 174.86 1pj6 h GLU 294 N 2.12 0.50 -0.36 4.02 4.81 -1.96 -1.08 114.58 122.63 1pj6 h GLU 294 Ca -0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1pj6 h GLU 294 Cb 1.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1pj6 h GLU 294 CO 0.39 0.33 0.00 0.72 -0.73 0.00 0.00 179.01 179.72 1pj6 n HIS 295 N -4.94 0.46 -3.57 0.92 8.25 -1.26 -4.71 115.22 110.36 1pj6 n HIS 295 Ca 0.14 -0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 1pj6 n HIS 295 Cb 0.38 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.37 1pj6 n HIS 295 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1pj6 s HIS 296 N -1.43 1.34 0.07 4.41 5.65 -0.41 -5.01 115.29 119.91 1pj6 s HIS 296 Ca 0.36 -2.06 -0.13 0.00 0.25 0.00 0.00 55.06 53.48 1pj6 s HIS 296 Cb 0.21 -1.36 0.02 0.00 -1.18 0.00 0.00 32.58 30.27 1pj6 s HIS 296 CO 0.30 -0.80 0.29 0.00 -0.65 0.00 0.00 174.74 173.87 1pj6 s MET 297 N 0.61 0.86 0.45 2.88 0.23 -1.25 -1.11 119.30 121.97 1pj6 s MET 297 Ca 0.20 -0.67 0.19 0.00 -1.03 0.00 0.00 55.69 54.38 1pj6 s MET 297 Cb -0.20 0.37 1.15 0.00 -1.53 0.00 0.00 34.83 34.62 1pj6 s MET 297 CO -0.02 -0.29 1.91 -1.35 -2.03 0.00 0.00 175.02 173.25 1pj6 h PRO 298 N 2.95 0.30 0.00 3.16 0.11 -1.92 -2.25 132.00 134.35 1pj6 h PRO 298 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1pj6 h PRO 298 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pj6 h PRO 298 CO 0.49 0.20 0.00 -1.13 -0.21 0.00 0.00 178.00 177.35 1pj6 n SER 299 N -4.45 0.21 -4.35 -2.05 3.41 -1.04 -4.66 113.62 100.69 1pj6 n SER 299 Ca 0.15 0.53 -0.36 0.00 -0.26 0.00 0.00 58.87 58.93 1pj6 n SER 299 Cb 0.63 -0.58 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 1pj6 n SER 299 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pj6 s ARG 300 N -3.05 3.34 0.20 4.33 0.52 -0.85 -0.36 118.95 123.09 1pj6 s ARG 300 Ca 0.11 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1pj6 s ARG 300 Cb 0.15 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1pj6 s ARG 300 CO 0.47 -0.27 0.35 -0.51 0.02 0.00 0.00 175.30 175.36 1pj6 s LEU 301 N 1.51 4.29 0.19 2.53 1.43 0.16 -4.68 118.68 124.10 1pj6 s LEU 301 Ca 0.05 0.19 -0.32 0.00 -1.03 0.00 0.00 54.13 53.02 1pj6 s LEU 301 Cb -0.15 -2.96 -0.16 0.00 0.03 0.00 0.00 46.19 42.95 1pj6 s LEU 301 CO -0.00 -0.03 1.02 0.47 0.23 0.00 0.00 176.35 178.04 1pj6 n ASP 302 N -0.97 0.81 -4.74 2.29 8.00 -1.26 -1.64 116.55 119.03 1pj6 n ASP 302 Ca -0.07 1.15 -0.41 0.00 0.71 0.00 0.00 54.79 56.17 1pj6 n ASP 302 Cb 0.55 -1.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 1pj6 n ASP 302 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pj6 s PHE 303 N -0.48 3.25 -0.65 1.24 5.36 -1.26 -4.12 117.98 121.31 1pj6 s PHE 303 Ca 0.70 1.29 -0.04 0.00 -0.96 0.00 0.00 56.93 57.92 1pj6 s PHE 303 Cb -0.87 -3.59 0.17 0.00 -0.34 0.00 0.00 43.02 38.39 1pj6 s PHE 303 CO 0.55 -1.77 0.47 0.95 -1.46 0.00 0.00 175.22 173.96 1pj6 s THR 304 N -0.21 3.92 0.40 0.12 -4.23 -1.26 -4.97 115.64 109.42 1pj6 s THR 304 Ca 0.54 -2.90 0.15 0.00 -1.18 0.00 0.00 61.69 58.31 1pj6 s THR 304 Cb -0.37 -3.54 0.36 0.00 1.34 0.00 0.00 72.50 70.30 1pj6 s THR 304 CO 0.41 -0.89 1.86 0.25 -0.54 0.00 0.00 174.62 175.70 1pj6 h LEU 305 N 7.12 0.48 -1.58 4.79 5.85 -2.00 -1.59 115.31 128.37 1pj6 h LEU 305 Ca -0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1pj6 h LEU 305 Cb 0.96 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1pj6 h LEU 305 CO 0.72 0.20 0.06 -0.33 -0.34 0.00 0.00 178.44 178.75 1pj6 h GLU 306 N 0.48 0.33 0.00 1.25 3.07 -2.03 0.75 114.58 118.44 1pj6 h GLU 306 Ca 0.47 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1pj6 h GLU 306 Cb 1.06 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1pj6 h GLU 306 CO -0.19 0.31 0.00 -0.44 -1.40 0.00 0.00 179.01 177.28 1pj6 h ASP 307 N 0.33 0.00 0.25 1.42 3.32 -1.70 -3.25 116.42 116.80 1pj6 h ASP 307 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pj6 h ASP 307 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1pj6 h ASP 307 CO -0.00 0.00 -1.28 0.33 -1.72 0.00 0.00 179.24 176.57 1pj6 n PHE 308 N -2.98 0.17 -0.14 4.55 7.35 0.24 -4.60 117.46 122.05 1pj6 n PHE 308 Ca 0.01 0.05 -0.03 0.00 -0.76 0.00 0.00 57.45 56.72 1pj6 n PHE 308 Cb 0.31 -0.39 0.05 0.00 0.35 0.00 0.00 39.48 39.80 1pj6 n PHE 308 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1pj6 h LEU 309 N 0.00 -0.05 -1.19 -2.13 3.38 -1.54 -0.04 115.31 113.74 1pj6 h LEU 309 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1pj6 h LEU 309 Cb 0.77 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1pj6 h LEU 309 CO 0.00 0.01 0.48 -0.65 0.09 0.00 0.00 178.44 178.37 1pj6 h PRO 310 N 0.19 1.03 -0.60 1.13 0.11 -1.84 -1.28 132.00 130.74 1pj6 h PRO 310 Ca 0.22 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 1pj6 h PRO 310 Cb 0.30 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1pj6 h PRO 310 CO -0.31 0.71 0.11 0.00 -0.21 0.00 0.00 178.00 178.29 1pj6 h ALA 311 N 1.48 1.06 -0.54 -0.75 0.00 -1.54 -1.07 119.26 117.89 1pj6 h ALA 311 Ca 0.28 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1pj6 h ALA 311 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1pj6 h ALA 311 CO -0.06 0.61 0.14 2.35 0.00 0.00 0.00 179.25 182.30 1pj6 h TRP 312 N 0.91 0.90 -0.35 0.00 -0.00 -0.44 0.18 115.95 117.16 1pj6 h TRP 312 Ca 0.19 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1pj6 h TRP 312 Cb 0.38 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.27 1pj6 h TRP 312 CO 0.02 0.78 0.22 0.93 -0.00 0.00 0.00 178.44 180.39 1pj6 h GLU 313 N 0.76 0.47 -0.85 2.65 4.39 -0.91 -1.30 114.58 119.79 1pj6 h GLU 313 Ca 0.17 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1pj6 h GLU 313 Cb 0.33 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1pj6 h GLU 313 CO 0.00 0.34 0.47 0.00 -1.16 0.00 0.00 179.01 178.66 1pj6 h ALA 314 N 1.10 1.23 -0.27 3.43 0.00 -1.00 -1.88 119.26 121.88 1pj6 h ALA 314 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pj6 h ALA 314 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1pj6 h ALA 314 CO -0.02 0.63 0.17 1.15 0.00 0.00 0.00 179.25 181.17 1pj6 h THR 315 N 1.18 1.08 0.00 0.00 2.02 -0.65 -1.37 112.91 115.18 1pj6 h THR 315 Ca 0.30 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1pj6 h THR 315 Cb 0.02 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1pj6 h THR 315 CO -0.05 0.08 -0.13 0.11 0.37 0.00 0.00 175.52 175.90 1pj6 h LYS 316 N 0.35 0.00 -0.30 6.66 1.57 -0.70 0.30 116.57 124.46 1pj6 h LYS 316 Ca 0.10 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1pj6 h LYS 316 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1pj6 h LYS 316 CO -0.02 0.13 -0.49 1.96 -0.57 0.00 0.00 179.45 180.46 1pj6 h GLN 317 N 0.00 0.85 -0.17 3.15 4.20 -0.96 -2.80 115.11 119.38 1pj6 h GLN 317 Ca -0.00 -0.52 -0.17 0.00 0.06 0.00 0.00 58.65 58.01 1pj6 h GLN 317 Cb 0.24 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.08 1pj6 h GLN 317 CO 0.02 1.16 -0.57 1.25 -0.67 0.00 0.00 178.83 180.02 1pj6 h LEU 318 N 0.64 0.80 -6.58 1.46 5.85 -0.72 -3.41 115.31 113.35 1pj6 h LEU 318 Ca 0.02 -0.60 -0.60 0.00 0.84 0.00 0.00 57.88 57.55 1pj6 h LEU 318 Cb 1.09 -0.23 -0.40 0.00 0.37 0.00 0.00 40.66 41.48 1pj6 h LEU 318 CO 0.11 1.26 -0.76 0.18 -0.34 0.00 0.00 178.44 178.89 1pj6 n LEU 319 N -4.11 1.74 -0.07 2.25 4.77 0.05 -1.03 117.00 120.60 1pj6 n LEU 319 Ca -0.07 -4.94 0.23 0.00 -0.03 0.00 0.00 56.01 51.21 1pj6 n LEU 319 Cb 0.63 -0.18 0.70 0.00 -2.33 0.00 0.00 43.42 42.25 1pj6 n LEU 319 CO 0.49 1.88 1.21 -0.65 -1.33 0.00 0.00 177.39 178.99 1pj6 h PRO 320 N 5.08 0.01 -0.61 3.23 0.11 -1.67 0.16 132.00 138.31 1pj6 h PRO 320 Ca 0.18 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.47 1pj6 h PRO 320 Cb 0.80 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1pj6 h PRO 320 CO 0.60 0.01 0.45 0.00 -0.21 0.00 0.00 178.00 178.85 1pj6 h ALA 321 N 1.67 2.55 0.00 -0.75 0.00 -1.86 -0.97 119.26 119.89 1pj6 h ALA 321 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1pj6 h ALA 321 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1pj6 h ALA 321 CO -0.01 -0.77 0.00 -0.07 0.00 0.00 0.00 179.25 178.41 1pj6 h LEU 322 N 0.00 0.00 -2.20 0.00 4.07 -1.29 -2.67 115.31 113.22 1pj6 h LEU 322 Ca 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.25 1pj6 h LEU 322 Cb 1.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1pj6 h LEU 322 CO -0.00 0.00 -0.00 0.00 -1.08 0.00 0.00 178.44 177.35 1pj6 h ALA 323 N 2.32 1.01 -0.38 1.53 0.00 -1.33 -1.16 119.26 121.26 1pj6 h ALA 323 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pj6 h ALA 323 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1pj6 h ALA 323 CO 0.00 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 1pj6 n ASP 324 N -3.10 3.54 -4.46 0.00 8.00 -1.01 -4.87 116.55 114.65 1pj6 n ASP 324 Ca -0.01 -2.43 -0.29 0.00 0.71 0.00 0.00 54.79 52.77 1pj6 n ASP 324 Cb 0.19 -0.54 -0.08 0.00 -0.02 0.00 0.00 41.12 40.67 1pj6 n ASP 324 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1pj6 s SER 325 N -0.61 3.46 0.34 -2.24 1.04 -0.44 -4.49 113.70 110.76 1pj6 s SER 325 Ca 0.33 -1.64 0.04 0.00 0.48 0.00 0.00 55.95 55.16 1pj6 s SER 325 Cb 0.23 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.73 1pj6 s SER 325 CO 0.12 -0.86 0.06 -1.61 0.98 0.00 0.00 173.24 171.94 1pj6 s GLU 326 N -3.79 1.69 -0.09 4.02 2.02 -1.26 -4.96 118.70 116.32 1pj6 s GLU 326 Ca 0.16 -1.95 -0.30 0.00 0.02 0.00 0.00 54.97 52.91 1pj6 s GLU 326 Cb 0.03 -0.87 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1pj6 s GLU 326 CO 0.09 -0.21 1.38 0.42 0.02 0.00 0.00 175.26 176.96 1pj6 s ILE 327 N -3.28 3.98 -0.19 -1.63 1.01 -1.26 -0.81 121.20 119.02 1pj6 s ILE 327 Ca 0.35 1.25 -0.15 0.00 0.00 0.00 0.00 60.65 62.10 1pj6 s ILE 327 Cb 0.08 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 1pj6 s ILE 327 CO 0.15 -0.07 -0.12 1.21 0.00 0.00 0.00 174.94 176.11 1pj6 n GLU 328 N 6.26 0.52 -3.86 2.79 2.13 -0.05 -4.75 120.64 123.67 1pj6 n GLU 328 Ca 0.14 0.45 -0.12 0.00 0.66 0.00 0.00 57.16 58.30 1pj6 n GLU 328 Cb 0.44 -1.64 -0.12 0.00 0.27 0.00 0.00 31.44 30.40 1pj6 n GLU 328 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1pj6 s ASP 329 N -6.33 -0.03 0.14 4.31 2.15 -0.82 -5.00 116.67 111.09 1pj6 s ASP 329 Ca -0.25 0.01 0.01 0.00 0.43 0.00 0.00 52.55 52.75 1pj6 s ASP 329 Cb 0.05 0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 42.85 1pj6 s ASP 329 CO 0.40 -0.18 -0.01 -0.83 -0.17 0.00 0.00 175.17 174.38 1pj6 s GLY 330 N -0.59 1.00 0.15 2.66 0.00 -1.26 -0.48 107.32 108.79 1pj6 s GLY 330 Ca -0.07 -1.48 -0.12 0.00 0.00 0.00 0.00 44.72 43.06 1pj6 s GLY 330 CO 0.00 -1.47 0.33 -0.11 0.00 0.00 0.00 173.10 171.86 1pj6 s PHE 331 N -3.73 0.14 -0.43 1.90 -0.71 -0.76 -4.40 117.98 110.00 1pj6 s PHE 331 Ca 0.19 -0.51 -0.11 0.00 -1.04 0.00 0.00 56.93 55.46 1pj6 s PHE 331 Cb 0.06 0.08 0.07 0.00 -1.21 0.00 0.00 43.02 42.02 1pj6 s PHE 331 CO 0.00 -0.71 0.29 -0.80 -1.34 0.00 0.00 175.22 172.66 1pj6 s ASN 332 N -2.90 5.81 -0.17 1.98 -0.87 -0.65 -2.05 114.94 116.10 1pj6 s ASN 332 Ca 0.10 -1.35 -0.09 0.00 -1.57 0.00 0.00 52.86 49.96 1pj6 s ASN 332 Cb 0.03 -2.05 -0.05 0.00 -0.02 0.00 0.00 41.25 39.16 1pj6 s ASN 332 CO -0.05 -0.54 0.12 -0.83 -2.57 0.00 0.00 177.10 173.23 1pj6 s GLY 333 N 2.15 2.06 0.08 0.66 0.00 0.11 -0.67 107.32 111.71 1pj6 s GLY 333 Ca 0.03 -0.68 -0.24 0.00 0.00 0.00 0.00 44.72 43.83 1pj6 s GLY 333 CO 0.04 -0.05 0.74 -0.42 0.00 0.00 0.00 173.10 173.42 1pj6 s ILE 334 N -0.11 4.63 0.00 0.90 1.01 0.52 -0.69 121.20 127.46 1pj6 s ILE 334 Ca 0.10 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.34 1pj6 s ILE 334 Cb -0.11 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1pj6 s ILE 334 CO 0.00 0.43 0.00 2.22 0.00 0.00 0.00 174.94 177.59 1pj6 n PHE 335 N 2.35 -0.11 -4.87 3.97 1.16 0.17 -4.54 117.46 115.59 1pj6 n PHE 335 Ca -0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.23 1pj6 n PHE 335 Cb 0.50 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.22 1pj6 n PHE 335 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1pj6 s SER 336 N -0.04 3.27 0.13 5.98 0.01 -1.26 -1.30 113.70 120.49 1pj6 s SER 336 Ca 0.00 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 56.76 1pj6 s SER 336 Cb 0.00 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1pj6 s SER 336 CO 0.00 0.26 -0.15 0.12 0.41 0.00 0.00 173.24 173.88 1pj6 s PHE 337 N -0.82 1.46 0.33 2.43 5.36 -0.62 -4.91 117.98 121.21 1pj6 s PHE 337 Ca 0.12 -0.55 0.07 0.00 -0.96 0.00 0.00 56.93 55.61 1pj6 s PHE 337 Cb -0.10 -0.76 -0.07 0.00 -0.34 0.00 0.00 43.02 41.76 1pj6 s PHE 337 CO 0.03 0.17 -0.03 0.95 -1.46 0.00 0.00 175.22 174.87 1pj6 s THR 338 N -2.16 1.81 0.63 0.12 -4.23 -1.26 -0.40 115.64 110.14 1pj6 s THR 338 Ca 0.10 -2.10 0.37 0.00 -1.18 0.00 0.00 61.69 58.88 1pj6 s THR 338 Cb -0.05 -2.69 0.39 0.00 1.34 0.00 0.00 72.50 71.50 1pj6 s THR 338 CO 0.03 -0.15 2.27 -0.65 -0.54 0.00 0.00 174.62 175.58 1pj6 h PRO 339 N 2.06 0.00 0.00 3.99 0.11 -1.85 -2.91 132.00 133.40 1pj6 h PRO 339 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1pj6 h PRO 339 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1pj6 h PRO 339 CO 0.72 0.00 -0.03 -0.40 -0.21 0.00 0.00 178.00 178.08 1pj6 n ASP 340 N -3.42 1.39 0.00 -2.05 5.68 -1.26 -4.74 116.55 112.15 1pj6 n ASP 340 Ca -0.02 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 1pj6 n ASP 340 Cb 0.13 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1pj6 n ASP 340 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj6 n GLY 341 N -0.44 0.91 3.89 6.12 0.00 -1.10 -5.02 105.19 109.54 1pj6 n GLY 341 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1pj6 n GLY 341 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pj6 s GLY 342 N -2.00 1.63 0.73 -0.02 0.00 -1.26 -4.90 107.32 101.49 1pj6 s GLY 342 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 44.72 44.31 1pj6 s GLY 342 CO 0.00 -0.08 0.80 -1.55 0.00 0.00 0.00 173.10 172.27 1pj6 n PRO 343 N -2.32 -1.64 -3.79 2.90 -0.04 -1.26 -4.68 135.00 124.17 1pj6 n PRO 343 Ca 0.03 -1.25 -0.30 0.00 -0.04 0.00 0.00 63.50 61.94 1pj6 n PRO 343 Cb 0.55 -0.99 -0.15 0.00 -0.04 0.00 0.00 33.50 32.86 1pj6 n PRO 343 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pj6 s LEU 344 N 0.00 2.40 0.11 1.53 1.43 0.51 -4.58 118.68 120.09 1pj6 s LEU 344 Ca 0.48 -1.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.14 1pj6 s LEU 344 Cb -0.03 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1pj6 s LEU 344 CO 0.35 -0.37 -0.20 -0.76 0.23 0.00 0.00 176.35 175.60 1pj6 s LEU 345 N 1.55 2.32 0.00 1.79 1.43 0.47 -1.23 118.68 125.00 1pj6 s LEU 345 Ca 0.06 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1pj6 s LEU 345 Cb -0.18 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1pj6 s LEU 345 CO -0.19 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1pj6 n GLY 346 N 0.99 0.63 3.73 -3.19 0.00 -0.58 -0.73 105.19 106.04 1pj6 n GLY 346 Ca -0.19 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.11 1pj6 n GLY 346 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pj6 s GLU 347 N -0.62 4.73 0.63 1.61 2.12 -1.26 -0.93 118.70 124.97 1pj6 s GLU 347 Ca 0.00 1.46 -0.18 0.00 0.36 0.00 0.00 54.97 56.61 1pj6 s GLU 347 Cb 0.00 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 1pj6 s GLU 347 CO 0.00 0.28 1.25 -1.54 -0.54 0.00 0.00 175.26 174.71 1pj6 s SER 348 N -0.25 4.84 0.28 -1.70 1.04 0.30 -4.86 113.70 113.34 1pj6 s SER 348 Ca 0.46 2.50 0.04 0.00 0.48 0.00 0.00 55.95 59.43 1pj6 s SER 348 Cb -0.24 -2.61 0.40 0.00 0.10 0.00 0.00 66.02 63.67 1pj6 s SER 348 CO 0.30 -1.84 1.69 0.11 0.98 0.00 0.00 173.24 174.48 1pj6 h LYS 349 N 0.64 0.36 0.00 4.02 1.57 -1.95 -3.34 116.57 117.87 1pj6 h LYS 349 Ca -0.50 -0.16 -0.22 0.00 -1.87 0.00 0.00 60.65 57.89 1pj6 h LYS 349 Cb 1.32 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1pj6 h LYS 349 CO 0.54 0.68 -1.12 0.93 -0.57 0.00 0.00 179.45 179.91 1pj6 h GLU 350 N 0.31 0.00 -2.95 3.15 3.07 -1.92 -3.46 114.58 112.79 1pj6 h GLU 350 Ca 0.03 -0.01 -0.30 0.00 -0.50 0.00 0.00 59.36 58.59 1pj6 h GLU 350 Cb 0.79 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.34 1pj6 h GLU 350 CO 0.06 0.92 -0.63 -1.17 -1.40 0.00 0.00 179.01 176.80 1pj6 s LEU 351 N -6.62 -0.09 0.32 1.33 2.96 -1.25 -4.91 118.68 110.41 1pj6 s LEU 351 Ca 0.00 0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 1pj6 s LEU 351 Cb 0.10 0.33 -0.11 0.00 0.50 0.00 0.00 46.19 47.01 1pj6 s LEU 351 CO 0.82 -0.26 1.45 -1.81 -1.32 0.00 0.00 176.35 175.23 1pj6 s ASP 352 N 2.31 6.52 0.00 3.68 1.01 -0.32 -2.50 116.67 127.37 1pj6 s ASP 352 Ca 0.04 2.86 0.00 0.00 0.71 0.00 0.00 52.55 56.16 1pj6 s ASP 352 Cb -0.13 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1pj6 s ASP 352 CO -0.07 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.16 1pj6 n GLY 353 N 1.20 0.88 3.42 0.21 0.00 -1.26 -1.22 105.19 108.41 1pj6 n GLY 353 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1pj6 n GLY 353 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pj6 s PHE 354 N -3.49 3.05 0.21 1.61 5.36 -1.04 -0.83 117.98 122.86 1pj6 s PHE 354 Ca 0.00 -0.53 0.09 0.00 -0.96 0.00 0.00 56.93 55.53 1pj6 s PHE 354 Cb 0.00 -2.18 -0.05 0.00 -0.34 0.00 0.00 43.02 40.46 1pj6 s PHE 354 CO 0.00 -0.37 -0.16 0.71 -1.46 0.00 0.00 175.22 173.94 1pj6 s TYR 355 N 1.44 1.86 0.11 10.12 1.51 0.22 -0.54 117.35 132.07 1pj6 s TYR 355 Ca 0.05 -0.50 0.10 0.00 -1.01 0.00 0.00 57.07 55.71 1pj6 s TYR 355 Cb -0.15 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1pj6 s TYR 355 CO 0.02 0.43 -0.23 0.14 -1.11 0.00 0.00 175.55 174.80 1pj6 s VAL 356 N -2.70 2.50 -0.41 0.71 -7.23 -0.11 -0.23 120.40 112.93 1pj6 s VAL 356 Ca 0.23 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1pj6 s VAL 356 Cb -0.03 -2.11 0.17 0.00 0.56 0.00 0.00 36.38 34.97 1pj6 s VAL 356 CO 0.09 0.13 0.42 0.00 -0.31 0.00 0.00 175.10 175.43 1pj6 s ALA 357 N -1.06 -0.05 0.04 1.32 0.00 -0.42 -1.52 121.76 120.08 1pj6 s ALA 357 Ca 0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 1pj6 s ALA 357 Cb -0.10 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1pj6 s ALA 357 CO 0.07 -2.11 0.02 -1.21 0.00 0.00 0.00 175.76 172.53 1pj6 s GLU 358 N 0.83 0.56 -0.74 0.00 2.02 -0.36 -4.49 118.70 116.51 1pj6 s GLU 358 Ca 0.25 -0.96 -0.04 0.00 0.02 0.00 0.00 54.97 54.24 1pj6 s GLU 358 Cb -0.06 0.20 -0.05 0.00 0.10 0.00 0.00 34.13 34.32 1pj6 s GLU 358 CO -0.08 -0.12 0.65 0.00 0.02 0.00 0.00 175.26 175.72 1pj6 n ALA 359 N 0.56 -1.87 -3.91 5.21 0.00 -1.26 -0.36 120.51 118.88 1pj6 n ALA 359 Ca -0.17 0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1pj6 n ALA 359 Cb 0.59 -4.10 -0.16 0.00 0.00 0.00 0.00 19.45 15.78 1pj6 n ALA 359 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pj6 s VAL 360 N -3.27 1.72 0.63 0.00 1.01 -1.26 -4.04 120.40 115.18 1pj6 s VAL 360 Ca 0.30 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1pj6 s VAL 360 Cb -0.04 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1pj6 s VAL 360 CO 0.52 0.48 1.27 0.26 0.00 0.00 0.00 175.10 177.63 1pj6 s TRP 361 N 1.25 2.19 0.31 5.22 0.52 -1.26 -4.90 118.94 122.26 1pj6 s TRP 361 Ca 0.01 1.49 0.06 0.00 0.02 0.00 0.00 56.10 57.68 1pj6 s TRP 361 Cb -0.14 -3.63 0.73 0.00 -1.15 0.00 0.00 33.47 29.29 1pj6 s TRP 361 CO -0.08 -2.69 1.79 0.28 0.02 0.00 0.00 176.95 176.27 1pj6 h VAL 362 N 0.68 0.73 -1.06 4.03 2.07 -2.00 -1.17 116.25 119.53 1pj6 h VAL 362 Ca -0.51 -0.27 0.28 0.00 0.82 0.00 0.00 66.70 67.02 1pj6 h VAL 362 Cb 1.32 -0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 1pj6 h VAL 362 CO 0.54 0.14 0.69 0.74 0.02 0.00 0.00 177.57 179.71 1pj6 h THR 363 N 0.78 0.50 -0.10 2.57 2.02 -1.91 -1.90 112.91 114.87 1pj6 h THR 363 Ca 0.57 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.64 1pj6 h THR 363 Cb 0.86 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1pj6 h THR 363 CO -0.36 0.06 0.00 1.41 0.37 0.00 0.00 175.52 177.00 1pj6 n HIS 364 N -4.57 0.10 -0.04 3.16 8.25 -0.47 -3.97 115.22 117.69 1pj6 n HIS 364 Ca 0.25 -0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1pj6 n HIS 364 Cb 0.94 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.01 1pj6 n HIS 364 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1pj6 h SER 365 N 3.18 0.22 0.37 0.41 4.64 -0.98 -0.85 113.55 120.55 1pj6 h SER 365 Ca 0.00 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1pj6 h SER 365 Cb 0.71 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1pj6 h SER 365 CO 0.00 0.16 -0.48 0.00 -0.87 0.00 0.00 176.83 175.64 1pj6 h ALA 366 N 1.07 1.11 -0.31 5.18 0.00 -1.84 -1.37 119.26 123.10 1pj6 h ALA 366 Ca 0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1pj6 h ALA 366 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1pj6 h ALA 366 CO -0.02 0.62 -0.04 0.78 0.00 0.00 0.00 179.25 180.59 1pj6 h GLY 367 N 1.38 0.62 0.99 0.00 0.00 -1.44 -0.09 103.07 104.53 1pj6 h GLY 367 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1pj6 h GLY 367 CO 0.07 0.45 0.33 -2.08 0.00 0.00 0.00 176.54 175.30 1pj6 h VAL 368 N 0.35 1.19 -0.64 4.60 2.07 -1.07 -1.04 116.25 121.72 1pj6 h VAL 368 Ca 0.08 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1pj6 h VAL 368 Cb 0.51 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1pj6 h VAL 368 CO 0.02 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.11 1pj6 h ALA 369 N 1.15 0.83 -0.36 1.67 0.00 -0.98 -0.79 119.26 120.78 1pj6 h ALA 369 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pj6 h ALA 369 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pj6 h ALA 369 CO -0.03 0.42 0.12 -0.22 0.00 0.00 0.00 179.25 179.54 1pj6 h LYS 370 N 0.90 0.56 -0.71 0.00 3.64 -0.80 -0.05 116.57 120.10 1pj6 h LYS 370 Ca 0.22 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1pj6 h LYS 370 Cb 0.15 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1pj6 h LYS 370 CO -0.02 0.56 0.40 0.00 -2.27 0.00 0.00 179.45 178.12 1pj6 h ALA 371 N 0.97 0.91 -0.48 5.00 0.00 -0.96 -0.58 119.26 124.12 1pj6 h ALA 371 Ca 0.12 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1pj6 h ALA 371 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1pj6 h ALA 371 CO -0.01 0.41 -0.07 0.52 0.00 0.00 0.00 179.25 180.11 1pj6 h MET 372 N 0.97 0.84 -0.48 0.00 2.86 -0.98 -0.18 114.93 117.96 1pj6 h MET 372 Ca 0.25 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1pj6 h MET 372 Cb 0.01 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1pj6 h MET 372 CO -0.04 0.88 0.04 0.00 1.06 0.00 0.00 176.91 178.84 1pj6 h ALA 373 N 1.16 0.65 -0.39 6.32 0.00 -0.54 -0.10 119.26 126.36 1pj6 h ALA 373 Ca 0.13 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pj6 h ALA 373 Cb 0.56 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1pj6 h ALA 373 CO 0.03 0.42 0.19 0.93 0.00 0.00 0.00 179.25 180.82 1pj6 h GLU 374 N 0.69 0.38 -0.49 0.00 5.08 -1.00 -0.85 114.58 118.40 1pj6 h GLU 374 Ca 0.14 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1pj6 h GLU 374 Cb 0.46 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1pj6 h GLU 374 CO 0.02 0.25 0.31 1.25 -1.00 0.00 0.00 179.01 179.84 1pj6 h LEU 375 N 0.39 0.53 -0.26 1.33 5.85 -0.62 -0.03 115.31 122.50 1pj6 h LEU 375 Ca 0.16 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1pj6 h LEU 375 Cb 0.07 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1pj6 h LEU 375 CO -0.12 0.38 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.86 1pj6 h LEU 376 N 0.64 0.83 0.00 2.25 3.38 -0.87 0.10 115.31 121.64 1pj6 h LEU 376 Ca 0.18 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1pj6 h LEU 376 Cb -0.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1pj6 h LEU 376 CO -0.05 1.20 -0.86 0.71 0.09 0.00 0.00 178.44 179.52 1pj6 h THR 377 N 0.49 0.00 0.00 0.22 1.35 -1.01 -3.39 112.91 110.57 1pj6 h THR 377 Ca 0.02 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1pj6 h THR 377 Cb 1.03 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1pj6 h THR 377 CO 0.10 0.00 -0.59 0.35 -0.25 0.00 0.00 175.52 175.13 1pj6 n THR 378 N -2.36 0.00 -0.17 6.82 -2.24 -0.04 -5.03 114.28 111.26 1pj6 n THR 378 Ca 0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1pj6 n THR 378 Cb 0.49 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1pj6 n THR 378 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pj6 n GLY 379 N 1.68 0.72 3.23 3.38 0.00 0.02 -5.02 105.19 109.21 1pj6 n GLY 379 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1pj6 n GLY 379 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pj6 s ARG 380 N -0.72 0.67 0.20 1.61 1.70 -1.24 -4.92 118.95 116.26 1pj6 s ARG 380 Ca 0.00 -0.23 -0.19 0.00 -0.47 0.00 0.00 55.73 54.85 1pj6 s ARG 380 Cb 0.00 0.30 -0.08 0.00 -0.57 0.00 0.00 34.95 34.60 1pj6 s ARG 380 CO 0.00 -0.19 0.69 0.45 -1.08 0.00 0.00 175.30 175.17 1pj6 s SER 381 N -1.39 7.01 0.20 -2.89 0.15 -1.26 -2.94 113.70 112.59 1pj6 s SER 381 Ca -0.13 1.35 0.24 0.00 0.70 0.00 0.00 55.95 58.11 1pj6 s SER 381 Cb -0.05 -2.39 0.91 0.00 -1.71 0.00 0.00 66.02 62.78 1pj6 s SER 381 CO 0.04 0.05 1.73 -0.62 1.20 0.00 0.00 173.24 175.64 1pj6 n GLU 382 N 0.76 0.19 -4.83 5.44 -0.58 -1.26 -4.69 120.64 115.67 1pj6 n GLU 382 Ca -0.03 0.31 -0.33 0.00 -0.42 0.00 0.00 57.16 56.69 1pj6 n GLU 382 Cb 0.51 -1.80 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 1pj6 n GLU 382 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1pj6 s THR 383 N -3.20 3.19 -0.02 2.62 2.01 -1.26 -4.85 115.64 114.12 1pj6 s THR 383 Ca 0.07 -0.67 -0.33 0.00 0.31 0.00 0.00 61.69 61.07 1pj6 s THR 383 Cb 0.11 -2.27 -0.12 0.00 0.01 0.00 0.00 72.50 70.24 1pj6 s THR 383 CO 0.46 0.59 1.85 -0.67 -0.69 0.00 0.00 174.62 176.16 1pj6 n ASP 384 N 2.42 3.54 -1.38 3.53 2.03 -1.26 -4.88 116.55 120.55 1pj6 n ASP 384 Ca -0.17 0.98 0.09 0.00 0.52 0.00 0.00 54.79 56.20 1pj6 n ASP 384 Cb 0.52 -1.41 0.32 0.00 -0.72 0.00 0.00 41.12 39.83 1pj6 n ASP 384 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1pj6 n LEU 385 N 6.26 4.43 -0.12 -2.67 4.77 -1.26 -4.65 117.00 123.76 1pj6 n LEU 385 Ca 0.21 -2.47 0.15 0.00 -0.03 0.00 0.00 56.01 53.88 1pj6 n LEU 385 Cb 0.31 -0.53 0.53 0.00 -2.33 0.00 0.00 43.42 41.41 1pj6 n LEU 385 CO 0.71 0.78 1.20 1.23 -1.33 0.00 0.00 177.39 179.98 1pj6 h GLY 386 N 3.52 0.56 0.03 -0.72 0.00 -1.97 0.13 103.07 104.62 1pj6 h GLY 386 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1pj6 h GLY 386 CO 0.20 0.06 -0.24 -1.84 0.00 0.00 0.00 176.54 174.73 1pj6 n GLU 387 N -4.46 0.99 -0.00 4.80 -0.00 -1.26 -4.24 120.64 116.47 1pj6 n GLU 387 Ca 0.13 -0.61 0.03 0.00 -0.00 0.00 0.00 57.16 56.70 1pj6 n GLU 387 Cb 0.51 -1.49 -0.04 0.00 -0.00 0.00 0.00 31.44 30.42 1pj6 n GLU 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pj6 s ASP 389 N -2.47 7.10 0.56 0.00 -1.08 0.17 -0.40 116.67 120.55 1pj6 s ASP 389 Ca -0.01 2.05 0.26 0.00 -0.52 0.00 0.00 52.55 54.32 1pj6 s ASP 389 Cb 0.03 -2.58 1.54 0.00 -1.46 0.00 0.00 42.92 40.45 1pj6 s ASP 389 CO 0.21 -0.44 2.09 -0.29 0.52 0.00 0.00 175.17 177.27 1pj6 h ILE 390 N 4.35 0.63 -0.01 4.11 6.09 -1.24 -1.74 117.51 129.70 1pj6 h ILE 390 Ca -0.42 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1pj6 h ILE 390 Cb 1.21 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.36 1pj6 h ILE 390 CO 0.80 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 176.23 1pj6 n THR 391 N -4.06 0.01 0.29 2.19 -2.24 -1.26 -3.61 114.28 105.60 1pj6 n THR 391 Ca 0.02 -0.02 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1pj6 n THR 391 Cb 0.33 -0.24 0.74 0.00 -2.10 0.00 0.00 70.33 69.06 1pj6 n THR 391 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1pj6 h ARG 392 N 0.14 0.00 -6.68 -0.78 0.11 -1.60 -3.06 114.38 102.52 1pj6 h ARG 392 Ca 0.00 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.58 1pj6 h ARG 392 Cb 0.03 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.08 1pj6 h ARG 392 CO 0.00 0.00 0.22 -0.06 0.10 0.00 0.00 179.97 180.23 1pj6 s PHE 393 N -3.72 3.75 0.66 4.08 0.40 -1.24 -4.45 117.98 117.46 1pj6 s PHE 393 Ca 0.01 1.61 -0.11 0.00 -0.60 0.00 0.00 56.93 57.84 1pj6 s PHE 393 Cb 0.09 -2.78 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 1pj6 s PHE 393 CO 0.53 0.34 1.06 -1.21 0.70 0.00 0.00 175.22 176.64 1pj6 s GLU 394 N -1.76 3.19 0.29 0.44 0.41 -1.26 -4.86 118.70 115.14 1pj6 s GLU 394 Ca 0.44 0.56 -0.01 0.00 -0.41 0.00 0.00 54.97 55.54 1pj6 s GLU 394 Cb -0.19 -2.06 0.45 0.00 -1.78 0.00 0.00 34.13 30.54 1pj6 s GLU 394 CO 0.24 -0.81 1.92 -0.44 -0.49 0.00 0.00 175.26 175.68 1pj6 h ASP 395 N -0.48 0.98 0.70 -0.19 3.32 -1.97 -0.14 116.42 118.64 1pj6 h ASP 395 Ca -0.45 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1pj6 h ASP 395 Cb 1.23 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1pj6 h ASP 395 CO 0.63 0.66 0.00 -0.37 -1.72 0.00 0.00 179.24 178.44 1pj6 h VAL 396 N 1.13 0.00 -0.01 -1.35 -1.51 -1.94 -2.07 116.25 110.50 1pj6 h VAL 396 Ca 0.38 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 1pj6 h VAL 396 Cb 0.07 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1pj6 h VAL 396 CO -0.13 0.00 -0.03 0.00 -1.23 0.00 0.00 177.57 176.18 1pj6 n GLN 397 N -3.01 1.23 0.00 5.19 6.02 -0.07 -3.89 117.38 122.86 1pj6 n GLN 397 Ca -0.00 -0.50 0.08 0.00 -0.01 0.00 0.00 57.00 56.56 1pj6 n GLN 397 Cb 0.23 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.05 1pj6 n GLN 397 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pj6 n LEU 398 N -0.45 2.10 -4.78 1.08 4.77 -0.78 -4.49 117.00 114.46 1pj6 n LEU 398 Ca 0.19 -0.93 -0.36 0.00 -0.03 0.00 0.00 56.01 54.88 1pj6 n LEU 398 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1pj6 n LEU 398 CO 0.19 0.38 0.78 0.42 -1.33 0.00 0.00 177.39 177.83 1pj6 s THR 399 N -1.47 3.40 0.30 -5.08 -4.23 -1.25 -4.86 115.64 102.45 1pj6 s THR 399 Ca 0.17 1.02 0.05 0.00 -1.18 0.00 0.00 61.69 61.75 1pj6 s THR 399 Cb 0.13 -3.51 0.30 0.00 1.34 0.00 0.00 72.50 70.76 1pj6 s THR 399 CO 0.25 -0.04 1.81 -0.65 -0.54 0.00 0.00 174.62 175.46 1pj6 h PRO 400 N 2.10 0.81 -0.72 3.99 0.11 -1.95 -0.44 132.00 135.90 1pj6 h PRO 400 Ca -0.49 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1pj6 h PRO 400 Cb 1.23 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1pj6 h PRO 400 CO 0.61 0.54 0.22 0.93 -0.21 0.00 0.00 178.00 180.09 1pj6 h GLU 401 N 0.84 1.11 -0.16 1.05 3.07 -1.97 0.56 114.58 119.07 1pj6 h GLU 401 Ca 0.53 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 1pj6 h GLU 401 Cb 0.73 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1pj6 h GLU 401 CO -0.31 0.95 -0.21 -0.92 -1.40 0.00 0.00 179.01 177.12 1pj6 h TYR 402 N 1.07 0.53 -0.78 4.33 3.20 -1.67 -1.26 116.97 122.38 1pj6 h TYR 402 Ca 0.23 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1pj6 h TYR 402 Cb 0.30 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1pj6 h TYR 402 CO 0.02 0.83 0.50 0.28 -1.64 0.00 0.00 178.16 178.15 1pj6 h VAL 403 N 0.07 1.21 -0.00 1.81 2.07 -0.90 -1.10 116.25 119.39 1pj6 h VAL 403 Ca 0.02 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1pj6 h VAL 403 Cb 0.77 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1pj6 h VAL 403 CO 0.05 0.21 0.00 -1.28 0.02 0.00 0.00 177.57 176.57 1pj6 h SER 404 N 1.06 0.00 0.13 0.57 0.87 -0.81 -1.18 113.55 114.19 1pj6 h SER 404 Ca 0.28 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1pj6 h SER 404 Cb -0.09 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1pj6 h SER 404 CO -0.06 0.29 -0.06 -0.08 -0.53 0.00 0.00 176.83 176.39 1pj6 h GLU 405 N -0.28 -0.16 -0.09 2.24 4.81 -1.05 -1.89 114.58 118.15 1pj6 h GLU 405 Ca 0.00 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1pj6 h GLU 405 Cb 0.29 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1pj6 h GLU 405 CO 0.00 -0.01 -0.65 1.79 -0.73 0.00 0.00 179.01 179.40 1pj6 h THR 406 N -0.28 1.37 -0.26 0.32 1.35 -1.26 -1.34 112.91 112.82 1pj6 h THR 406 Ca -0.02 -2.03 -0.15 0.00 -0.55 0.00 0.00 66.41 63.67 1pj6 h THR 406 Cb 0.23 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1pj6 h THR 406 CO 0.03 0.61 -0.44 0.28 -0.25 0.00 0.00 175.52 175.75 1pj6 h SER 407 N 0.26 0.69 -0.55 5.36 0.02 -1.20 0.29 113.55 118.43 1pj6 h SER 407 Ca -0.01 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1pj6 h SER 407 Cb 1.20 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1pj6 h SER 407 CO 0.11 1.03 0.24 1.56 -1.14 0.00 0.00 176.83 178.63 1pj6 h GLN 408 N 0.52 0.80 -0.23 3.45 4.20 -1.23 -1.23 115.11 121.40 1pj6 h GLN 408 Ca 0.04 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1pj6 h GLN 408 Cb 0.97 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1pj6 h GLN 408 CO 0.09 0.68 -0.20 0.37 -0.67 0.00 0.00 178.83 179.10 1pj6 h GLN 409 N 0.74 0.40 -0.26 1.46 5.75 -0.96 -1.09 115.11 121.15 1pj6 h GLN 409 Ca 0.18 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 1pj6 h GLN 409 Cb 0.16 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1pj6 h GLN 409 CO -0.02 0.59 -0.12 -0.91 -2.65 0.00 0.00 178.83 175.71 1pj6 h ASN 410 N 0.37 0.42 -0.34 -0.69 2.35 -0.54 -1.25 115.58 115.89 1pj6 h ASN 410 Ca 0.06 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1pj6 h ASN 410 Cb 0.55 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1pj6 h ASN 410 CO 0.04 0.57 0.08 0.15 -1.65 0.00 0.00 177.43 176.62 1pj6 h PHE 411 N 0.40 0.57 -0.66 1.19 3.57 -0.59 -1.29 116.94 120.13 1pj6 h PHE 411 Ca 0.08 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1pj6 h PHE 411 Cb 0.46 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1pj6 h PHE 411 CO 0.01 0.58 0.43 0.28 -2.23 0.00 0.00 178.31 177.39 1pj6 h VAL 412 N 0.39 1.11 -0.67 1.41 2.07 -0.75 -2.48 116.25 117.33 1pj6 h VAL 412 Ca 0.11 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1pj6 h VAL 412 Cb 0.30 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1pj6 h VAL 412 CO 0.00 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.12 1pj6 n GLU 413 N -4.46 3.12 -0.31 1.57 1.02 -0.51 -4.74 120.64 116.33 1pj6 n GLU 413 Ca 0.08 -2.64 0.10 0.00 -0.02 0.00 0.00 57.16 54.68 1pj6 n GLU 413 Cb 0.11 -1.71 0.32 0.00 -0.02 0.00 0.00 31.44 30.14 1pj6 n GLU 413 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1pj6 h ILE 414 N 4.04 0.85 -0.24 -3.67 2.10 -0.74 -1.30 117.51 118.55 1pj6 h ILE 414 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1pj6 h ILE 414 Cb 1.17 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 1pj6 h ILE 414 CO 0.11 0.15 0.00 -1.22 -1.08 0.00 0.00 178.15 176.11 1pj6 n TYR 415 N -4.60 0.70 -2.86 2.19 4.02 -1.26 -5.02 117.16 110.32 1pj6 n TYR 415 Ca 0.19 -0.79 -0.34 0.00 -0.01 0.00 0.00 57.90 56.94 1pj6 n TYR 415 Cb 0.44 -0.22 -0.07 0.00 -0.02 0.00 0.00 39.34 39.47 1pj6 n TYR 415 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1pj6 s ASP 416 N -1.79 7.05 -0.20 7.72 1.01 -0.49 -4.75 116.67 125.21 1pj6 s ASP 416 Ca 0.35 1.67 -0.29 0.00 0.71 0.00 0.00 52.55 54.99 1pj6 s ASP 416 Cb 0.27 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 1pj6 s ASP 416 CO 0.09 -0.23 1.13 -0.69 0.21 0.00 0.00 175.17 175.68 1pj6 s VAL 417 N -1.95 4.52 0.00 -1.27 1.01 -1.26 -5.02 120.40 116.44 1pj6 s VAL 417 Ca 0.56 1.84 0.03 0.00 0.00 0.00 0.00 61.98 64.41 1pj6 s VAL 417 Cb -0.12 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1pj6 s VAL 417 CO 0.17 -0.16 -0.10 -0.76 0.00 0.00 0.00 175.10 174.26 1pj6 s LEU 418 N 3.27 2.05 0.48 3.92 1.43 -1.26 -5.14 118.68 123.43 1pj6 s LEU 418 Ca 0.48 -0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 53.15 1pj6 s LEU 418 Cb -0.18 -0.47 -0.07 0.00 0.03 0.00 0.00 46.19 45.50 1pj6 s LEU 418 CO 0.10 0.09 1.12 -2.28 0.23 0.00 0.00 176.35 175.61 1pj6 s HIS 419 N -0.34 2.88 0.61 0.29 5.65 -1.26 -4.95 115.29 118.17 1pj6 s HIS 419 Ca 0.03 1.56 0.33 0.00 0.25 0.00 0.00 55.06 57.22 1pj6 s HIS 419 Cb -0.04 -3.27 1.94 0.00 -1.18 0.00 0.00 32.58 30.02 1pj6 s HIS 419 CO -0.00 -1.31 2.25 -1.00 -0.65 0.00 0.00 174.74 174.02 1pj6 h PRO 420 N 1.77 0.00 -0.30 2.88 0.13 -1.98 -1.27 132.00 133.22 1pj6 h PRO 420 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1pj6 h PRO 420 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1pj6 h PRO 420 CO 0.59 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 1pj6 n LEU 421 N -3.64 3.03 -4.66 1.56 4.77 -1.26 -4.97 117.00 111.83 1pj6 n LEU 421 Ca -0.02 -1.27 -0.49 0.00 -0.03 0.00 0.00 56.01 54.20 1pj6 n LEU 421 Cb 0.13 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1pj6 n LEU 421 CO 0.25 0.63 1.53 1.67 -1.33 0.00 0.00 177.39 180.15 1pj6 n GLN 422 N 1.23 1.99 -2.30 3.23 -0.06 -0.48 -4.96 117.38 116.03 1pj6 n GLN 422 Ca 0.18 0.71 -0.29 0.00 -2.00 0.00 0.00 57.00 55.60 1pj6 n GLN 422 Cb 0.55 -2.62 0.01 0.00 -4.06 0.00 0.00 30.24 24.11 1pj6 n GLN 422 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1pj6 s PRO 423 N 4.38 3.53 0.52 3.69 0.04 -1.26 -5.02 135.00 140.89 1pj6 s PRO 423 Ca 0.95 0.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 1pj6 s PRO 423 Cb -0.72 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 31.51 1pj6 s PRO 423 CO 0.52 -0.39 1.06 1.03 0.04 0.00 0.00 177.00 179.26 1pj6 s ARG 424 N -4.94 3.59 0.10 4.56 0.52 -1.26 -4.97 118.95 116.55 1pj6 s ARG 424 Ca 0.51 1.40 0.24 0.00 -0.52 0.00 0.00 55.73 57.35 1pj6 s ARG 424 Cb -0.11 -2.06 0.22 0.00 0.52 0.00 0.00 34.95 33.52 1pj6 s ARG 424 CO 0.49 -0.61 1.20 1.28 0.02 0.00 0.00 175.30 177.67 1pj6 n LEU 425 N -1.25 0.68 -3.57 2.53 4.77 -1.26 -4.93 117.00 113.96 1pj6 n LEU 425 Ca 0.10 0.16 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 1pj6 n LEU 425 Cb 0.52 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1pj6 n LEU 425 CO 0.42 -0.03 0.40 -0.55 -1.33 0.00 0.00 177.39 176.30 1pj6 s SER 426 N -4.22 -0.66 0.35 -1.43 0.15 -1.26 -4.47 113.70 102.16 1pj6 s SER 426 Ca 0.05 0.91 -0.25 0.00 0.70 0.00 0.00 55.95 57.35 1pj6 s SER 426 Cb 0.13 0.81 -0.10 0.00 -1.71 0.00 0.00 66.02 65.16 1pj6 s SER 426 CO 0.75 -0.48 0.97 -2.16 1.20 0.00 0.00 173.24 173.52 1pj6 s PRO 427 N -0.69 4.45 0.27 5.44 0.04 -1.26 -4.91 135.00 138.34 1pj6 s PRO 427 Ca -0.08 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.34 1pj6 s PRO 427 Cb -0.02 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 1pj6 s PRO 427 CO 0.07 0.15 0.10 1.03 0.04 0.00 0.00 177.00 178.38 1pj6 s ARG 428 N -2.26 1.46 -1.70 4.56 1.81 -1.26 -4.85 118.95 116.71 1pj6 s ARG 428 Ca 0.53 -1.80 -0.00 0.00 -1.72 0.00 0.00 55.73 52.74 1pj6 s ARG 428 Cb -0.19 -0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.01 1pj6 s ARG 428 CO 0.24 -0.31 0.04 0.09 -0.68 0.00 0.00 175.30 174.69 1pj6 n ASN 429 N -0.54 -5.74 0.00 0.23 3.02 -1.26 -4.91 115.26 106.06 1pj6 n ASN 429 Ca -0.00 -0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.38 1pj6 n ASN 429 Cb 0.66 -4.75 -0.10 0.00 -0.61 0.00 0.00 39.78 34.99 1pj6 n ASN 429 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1pj6 h LEU 430 N -0.10 -0.06 -8.18 3.41 3.38 -1.89 -3.44 115.31 108.44 1pj6 h LEU 430 Ca -0.48 -0.51 -0.65 0.00 0.09 0.00 0.00 57.88 56.34 1pj6 h LEU 430 Cb 1.35 0.01 -0.34 0.00 0.09 0.00 0.00 40.66 41.78 1pj6 h LEU 430 CO 0.56 0.50 -0.86 -0.13 0.09 0.00 0.00 178.44 178.60 1pj6 s ARG 431 N -3.85 2.77 0.05 1.13 0.52 -0.78 -5.05 118.95 113.75 1pj6 s ARG 431 Ca -0.16 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.32 1pj6 s ARG 431 Cb 0.01 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 1pj6 s ARG 431 CO 0.63 0.03 -0.11 0.14 0.02 0.00 0.00 175.30 176.00 1pj6 s VAL 432 N 0.73 0.88 0.87 3.52 -7.23 -1.26 -1.54 120.40 116.37 1pj6 s VAL 432 Ca -0.10 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.83 1pj6 s VAL 432 Cb -0.16 -0.86 0.12 0.00 0.56 0.00 0.00 36.38 36.03 1pj6 s VAL 432 CO 0.01 -0.22 1.14 -0.94 -0.31 0.00 0.00 175.10 174.78 1pj6 s SER 433 N -1.49 3.85 0.10 4.85 1.04 -1.26 -4.94 113.70 115.85 1pj6 s SER 433 Ca -0.04 0.98 0.13 0.00 0.48 0.00 0.00 55.95 57.50 1pj6 s SER 433 Cb -0.09 -1.56 0.58 0.00 0.10 0.00 0.00 66.02 65.05 1pj6 s SER 433 CO 0.01 -2.34 1.39 -2.65 0.98 0.00 0.00 173.24 170.64 1pj6 n PRO 434 N -3.63 0.06 -0.15 4.02 -0.02 -1.26 -2.03 135.00 131.99 1pj6 n PRO 434 Ca 0.07 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1pj6 n PRO 434 Cb 0.59 -1.65 0.27 0.00 -0.02 0.00 0.00 33.50 32.69 1pj6 n PRO 434 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1pj6 n PHE 435 N -1.77 0.40 -0.18 6.00 0.99 -1.26 -4.27 117.46 117.38 1pj6 n PHE 435 Ca 0.01 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.45 57.24 1pj6 n PHE 435 Cb 0.10 0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.65 1pj6 n PHE 435 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1pj6 h HIS 436 N 3.56 0.45 -0.83 1.38 2.76 -1.78 0.59 115.15 121.28 1pj6 h HIS 436 Ca 0.00 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1pj6 h HIS 436 Cb 0.79 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.59 1pj6 h HIS 436 CO 0.20 0.19 0.39 0.00 -1.30 0.00 0.00 177.93 177.41 1pj6 h ALA 437 N 1.32 1.07 -0.68 5.26 0.00 -1.86 -0.77 119.26 123.59 1pj6 h ALA 437 Ca 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pj6 h ALA 437 Cb 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1pj6 h ALA 437 CO -0.21 0.64 0.25 0.00 0.00 0.00 0.00 179.25 179.93 1pj6 h ARG 438 N 1.18 1.01 -0.76 0.00 2.47 -1.59 -1.60 114.38 115.09 1pj6 h ARG 438 Ca 0.28 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.77 1pj6 h ARG 438 Cb 0.13 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 1pj6 h ARG 438 CO -0.03 0.84 0.28 0.45 0.56 0.00 0.00 179.97 182.06 1pj6 h HIS 439 N 0.99 1.18 -0.53 3.04 3.86 -0.43 -2.25 115.15 121.00 1pj6 h HIS 439 Ca 0.23 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1pj6 h HIS 439 Cb 0.22 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1pj6 h HIS 439 CO 0.02 0.91 -0.04 -0.22 0.86 0.00 0.00 177.93 179.45 1pj6 h LYS 440 N 1.10 0.94 -0.82 2.45 3.64 -0.95 -0.94 116.57 122.00 1pj6 h LYS 440 Ca 0.25 -0.30 0.11 0.00 -1.27 0.00 0.00 60.65 59.44 1pj6 h LYS 440 Cb 0.25 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 1pj6 h LYS 440 CO -0.02 0.95 0.53 0.93 -2.27 0.00 0.00 179.45 179.58 1pj6 h GLU 441 N 0.86 0.68 -0.22 1.90 5.08 -0.96 -1.21 114.58 120.71 1pj6 h GLU 441 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1pj6 h GLU 441 Cb 0.56 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1pj6 h GLU 441 CO 0.03 0.45 0.00 1.28 -1.00 0.00 0.00 179.01 179.78 1pj6 n LEU 442 N -4.52 1.37 -1.60 1.33 4.77 -0.87 -4.92 117.00 112.56 1pj6 n LEU 442 Ca 0.14 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 55.37 1pj6 n LEU 442 Cb 0.37 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1pj6 n LEU 442 CO 0.32 0.33 0.04 0.61 -1.33 0.00 0.00 177.39 177.35 1pj6 n GLY 443 N 0.96 0.21 3.70 -0.72 0.00 -0.46 -1.58 105.19 107.32 1pj6 n GLY 443 Ca 0.11 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1pj6 n GLY 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj6 n ALA 444 N -2.94 1.55 -2.56 4.61 0.00 -0.41 -0.93 120.51 119.82 1pj6 n ALA 444 Ca -0.03 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 1pj6 n ALA 444 Cb 0.54 -2.31 -0.08 0.00 0.00 0.00 0.00 19.45 17.60 1pj6 n ALA 444 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1pj6 s PHE 445 N -0.58 3.16 -0.05 0.00 5.36 -0.12 -4.88 117.98 120.87 1pj6 s PHE 445 Ca 0.61 -0.44 -0.12 0.00 -0.96 0.00 0.00 56.93 56.02 1pj6 s PHE 445 Cb -0.57 -3.02 -0.05 0.00 -0.34 0.00 0.00 43.02 39.04 1pj6 s PHE 445 CO 0.56 -0.76 0.30 -0.06 -1.46 0.00 0.00 175.22 173.80 1pj6 s PHE 446 N 2.18 3.67 0.31 10.12 0.40 -1.26 0.06 117.98 133.45 1pj6 s PHE 446 Ca 0.12 0.80 0.09 0.00 -0.60 0.00 0.00 56.93 57.35 1pj6 s PHE 446 Cb -0.18 -2.16 -0.06 0.00 0.51 0.00 0.00 43.02 41.14 1pj6 s PHE 446 CO 0.13 0.67 -0.11 -0.51 0.70 0.00 0.00 175.22 176.10 1pj6 s LEU 447 N -1.02 2.63 0.04 -0.37 1.43 -0.52 -4.91 118.68 115.96 1pj6 s LEU 447 Ca 0.20 -1.15 0.09 0.00 -1.03 0.00 0.00 54.13 52.24 1pj6 s LEU 447 Cb -0.15 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 1pj6 s LEU 447 CO 0.09 -0.19 -0.26 -0.70 0.23 0.00 0.00 176.35 175.52 1pj6 s GLU 448 N -3.62 1.83 -0.16 1.70 -6.30 -1.26 -0.44 118.70 110.44 1pj6 s GLU 448 Ca 0.31 -1.09 -0.13 0.00 -2.50 0.00 0.00 54.97 51.56 1pj6 s GLU 448 Cb 0.01 -1.98 0.05 0.00 0.00 0.00 0.00 34.13 32.20 1pj6 s GLU 448 CO 0.14 0.52 0.42 0.00 0.02 0.00 0.00 175.26 176.36 1pj6 s ALA 449 N -0.79 -1.04 -2.08 6.30 0.00 -0.61 -4.89 121.76 118.64 1pj6 s ALA 449 Ca 0.12 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1pj6 s ALA 449 Cb -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1pj6 s ALA 449 CO 0.02 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1pj6 n GLY 450 N 3.33 1.66 1.40 0.00 0.00 -1.26 -1.21 105.19 109.11 1pj6 n GLY 450 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1pj6 n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj6 n GLY 451 N -0.57 2.60 3.74 -0.02 0.00 -1.26 -4.81 105.19 104.88 1pj6 n GLY 451 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1pj6 n GLY 451 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pj6 s TRP 452 N -2.28 3.76 -0.27 1.61 0.52 -0.35 -1.86 118.94 120.07 1pj6 s TRP 452 Ca 0.00 1.61 -0.27 0.00 0.02 0.00 0.00 56.10 57.46 1pj6 s TRP 452 Cb 0.00 -2.92 0.01 0.00 -1.15 0.00 0.00 33.47 29.41 1pj6 s TRP 452 CO 0.00 0.24 0.96 -1.21 0.02 0.00 0.00 176.95 176.96 1pj6 s GLU 453 N -0.01 4.14 -0.16 4.98 0.41 -0.59 -1.58 118.70 125.89 1pj6 s GLU 453 Ca 0.42 1.05 0.01 0.00 -0.41 0.00 0.00 54.97 56.04 1pj6 s GLU 453 Cb -0.22 -3.68 0.02 0.00 -1.78 0.00 0.00 34.13 28.47 1pj6 s GLU 453 CO 0.26 -0.69 -0.17 1.03 -0.49 0.00 0.00 175.26 175.20 1pj6 s ARG 454 N 3.20 2.64 0.16 1.61 0.52 0.41 -4.72 118.95 122.78 1pj6 s ARG 454 Ca 0.40 -0.69 -0.32 0.00 -0.52 0.00 0.00 55.73 54.60 1pj6 s ARG 454 Cb -0.14 -2.31 -0.10 0.00 0.52 0.00 0.00 34.95 32.92 1pj6 s ARG 454 CO 0.10 -0.20 1.58 -2.14 0.02 0.00 0.00 175.30 174.65 1pj6 s PRO 455 N 1.33 4.21 0.05 3.54 0.02 -1.26 -1.44 135.00 141.45 1pj6 s PRO 455 Ca 0.04 2.37 0.17 0.00 0.02 0.00 0.00 61.00 63.60 1pj6 s PRO 455 Cb -0.13 -3.16 -0.14 0.00 0.02 0.00 0.00 34.50 31.09 1pj6 s PRO 455 CO -0.11 -0.61 0.79 0.66 -0.33 0.00 0.00 177.00 177.40 1pj6 n TYR 456 N 4.00 0.93 -3.80 6.54 4.02 0.11 -1.01 117.16 127.95 1pj6 n TYR 456 Ca 0.14 0.31 -0.03 0.00 -0.01 0.00 0.00 57.90 58.31 1pj6 n TYR 456 Cb 0.38 -1.07 0.00 0.00 -0.02 0.00 0.00 39.34 38.64 1pj6 n TYR 456 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 1pj6 s TRP 457 N -2.94 -0.03 -0.10 -0.72 -2.14 -1.25 -1.67 118.94 110.09 1pj6 s TRP 457 Ca -0.03 -0.31 0.02 0.00 2.66 0.00 0.00 56.10 58.44 1pj6 s TRP 457 Cb 0.09 0.66 0.02 0.00 -3.10 0.00 0.00 33.47 31.13 1pj6 s TRP 457 CO 0.81 -0.83 -0.14 -0.06 -2.66 0.00 0.00 176.95 174.07 1pj6 s PHE 458 N -2.70 1.85 0.54 1.66 0.40 -1.26 -0.94 117.98 117.53 1pj6 s PHE 458 Ca 0.17 -0.85 0.22 0.00 -0.60 0.00 0.00 56.93 55.87 1pj6 s PHE 458 Cb -0.01 -1.35 1.41 0.00 0.51 0.00 0.00 43.02 43.58 1pj6 s PHE 458 CO 0.03 -0.45 2.11 0.93 0.70 0.00 0.00 175.22 178.54 1pj6 h GLU 459 N 7.41 0.00 -0.94 0.44 5.08 -0.95 -0.77 114.58 124.86 1pj6 h GLU 459 Ca -0.31 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.31 1pj6 h GLU 459 Cb 1.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1pj6 h GLU 459 CO 0.48 0.00 0.65 0.00 -1.00 0.00 0.00 179.01 179.14 1pj6 h ALA 460 N 1.89 2.67 -0.02 3.43 0.00 -1.54 -1.57 119.26 124.12 1pj6 h ALA 460 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pj6 h ALA 460 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pj6 h ALA 460 CO -0.00 -0.96 0.00 0.09 0.00 0.00 0.00 179.25 178.38 1pj6 n ASN 461 N -4.35 0.83 0.14 0.00 3.02 -0.29 -3.43 115.26 111.18 1pj6 n ASN 461 Ca 0.20 -1.30 0.03 0.00 -0.03 0.00 0.00 54.58 53.47 1pj6 n ASN 461 Cb 0.92 -0.01 0.40 0.00 -0.61 0.00 0.00 39.78 40.49 1pj6 n ASN 461 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pj6 h ALA 462 N 4.16 1.53 0.00 5.41 0.00 -1.42 -1.17 119.26 127.76 1pj6 h ALA 462 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pj6 h ALA 462 Cb 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pj6 h ALA 462 CO 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 1pj6 h ALA 463 N 1.67 1.04 0.00 0.00 0.00 -1.76 -1.94 119.26 118.27 1pj6 h ALA 463 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pj6 h ALA 463 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pj6 h ALA 463 CO 0.02 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1pj6 n LEU 464 N -3.14 0.82 -0.06 0.00 4.77 -0.44 -4.05 117.00 114.90 1pj6 n LEU 464 Ca -0.02 0.58 -0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1pj6 n LEU 464 Cb 0.13 -0.32 0.28 0.00 -2.33 0.00 0.00 43.42 41.18 1pj6 n LEU 464 CO 0.22 -0.18 1.00 -0.07 -1.33 0.00 0.00 177.39 177.03 1pj6 h LEU 465 N 0.00 0.61 -1.70 2.23 3.38 -1.46 -1.83 115.31 116.54 1pj6 h LEU 465 Ca 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1pj6 h LEU 465 Cb 0.74 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pj6 h LEU 465 CO 0.00 0.60 -0.10 0.07 0.09 0.00 0.00 178.44 179.10 1pj6 h LYS 466 N 0.64 0.00 -0.02 1.13 2.10 -1.78 -2.59 116.57 116.05 1pj6 h LYS 466 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1pj6 h LYS 466 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1pj6 h LYS 466 CO -0.00 0.10 -0.27 -0.85 -2.00 0.00 0.00 179.45 176.42 1pj6 n GLU 467 N -3.35 1.64 -2.42 0.07 0.28 -0.72 -4.97 120.64 111.17 1pj6 n GLU 467 Ca -0.01 -1.34 -0.41 0.00 -0.16 0.00 0.00 57.16 55.25 1pj6 n GLU 467 Cb 0.29 -1.47 -0.04 0.00 1.43 0.00 0.00 31.44 31.65 1pj6 n GLU 467 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1pj6 s MET 468 N -2.28 4.52 0.28 3.44 1.75 -0.98 -4.97 119.30 121.06 1pj6 s MET 468 Ca 0.23 1.83 -0.30 0.00 -1.25 0.00 0.00 55.69 56.19 1pj6 s MET 468 Cb 0.19 -3.25 -0.12 0.00 2.84 0.00 0.00 34.83 34.49 1pj6 s MET 468 CO 0.46 -0.03 1.48 -2.30 -0.65 0.00 0.00 175.02 173.98 1pj6 n PRO 469 N 2.41 2.35 -0.39 4.11 -0.02 -1.26 -4.87 135.00 137.32 1pj6 n PRO 469 Ca 0.04 0.84 0.32 0.00 -2.02 0.00 0.00 63.50 62.67 1pj6 n PRO 469 Cb 0.45 -2.54 0.62 0.00 -0.02 0.00 0.00 33.50 32.01 1pj6 n PRO 469 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pj6 h ALA 470 N 4.29 2.67 -0.10 3.55 0.00 -1.96 -0.59 119.26 127.12 1pj6 h ALA 470 Ca -0.46 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1pj6 h ALA 470 Cb 1.25 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1pj6 h ALA 470 CO 0.76 -1.16 0.14 1.05 0.00 0.00 0.00 179.25 180.04 1pj6 h GLU 471 N 0.19 0.00 0.00 0.00 9.09 -2.00 -1.58 114.58 120.27 1pj6 h GLU 471 Ca 0.70 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.11 1pj6 h GLU 471 Cb 2.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.27 1pj6 h GLU 471 CO -0.28 0.00 -0.50 -1.49 0.05 0.00 0.00 179.01 176.79 1pj6 h TRP 472 N 0.00 0.00 -3.04 2.06 4.06 -1.40 -3.46 115.95 114.16 1pj6 h TRP 472 Ca 0.05 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.43 1pj6 h TRP 472 Cb 0.34 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.45 1pj6 h TRP 472 CO 0.00 0.00 0.81 -1.17 -3.56 0.00 0.00 178.44 174.52 1pj6 s LEU 473 N -4.58 4.15 0.74 -4.49 2.96 -0.60 -4.87 118.68 111.99 1pj6 s LEU 473 Ca 0.06 1.52 -0.11 0.00 -0.22 0.00 0.00 54.13 55.38 1pj6 s LEU 473 Cb 0.12 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.30 1pj6 s LEU 473 CO 0.70 -0.68 1.10 -2.16 -1.32 0.00 0.00 176.35 173.99 1pj6 s PRO 474 N 3.14 2.59 0.97 0.98 0.04 -1.26 -5.06 135.00 136.40 1pj6 s PRO 474 Ca 0.48 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1pj6 s PRO 474 Cb -0.18 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.54 1pj6 s PRO 474 CO 0.11 -1.24 1.09 -2.14 0.04 0.00 0.00 177.00 174.86 1pj6 s PRO 475 N -5.30 0.68 0.58 0.56 0.02 -1.26 -4.98 135.00 125.31 1pj6 s PRO 475 Ca 0.59 0.77 -0.20 0.00 0.02 0.00 0.00 61.00 62.18 1pj6 s PRO 475 Cb -0.12 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1pj6 s PRO 475 CO 0.53 -2.62 1.31 0.00 -0.33 0.00 0.00 177.00 175.88 1pj6 s ALA 476 N -2.86 2.65 0.18 -1.55 0.00 -1.26 -5.02 121.76 113.89 1pj6 s ALA 476 Ca 0.65 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.87 1pj6 s ALA 476 Cb -0.19 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1pj6 s ALA 476 CO 0.58 -1.38 0.30 1.03 0.00 0.00 0.00 175.76 176.29 1pj6 s ARG 477 N -3.11 3.42 0.90 0.00 0.52 -1.26 -5.02 118.95 114.40 1pj6 s ARG 477 Ca 0.76 -0.66 -0.13 0.00 -0.52 0.00 0.00 55.73 55.18 1pj6 s ARG 477 Cb -0.38 -2.93 0.13 0.00 0.52 0.00 0.00 34.95 32.30 1pj6 s ARG 477 CO 0.42 0.49 1.15 0.16 0.02 0.00 0.00 175.30 177.55 1pj6 s ASP 478 N -3.45 3.65 0.28 0.23 1.47 -1.26 -4.76 116.67 112.83 1pj6 s ASP 478 Ca 0.34 0.89 -0.03 0.00 1.18 0.00 0.00 52.55 54.93 1pj6 s ASP 478 Cb -0.10 -1.42 0.39 0.00 -0.34 0.00 0.00 42.92 41.45 1pj6 s ASP 478 CO 0.28 -2.46 1.90 0.00 0.68 0.00 0.00 175.17 175.58 1pj6 h ALA 479 N -1.43 1.30 0.15 2.11 0.00 -2.00 0.63 119.26 120.03 1pj6 h ALA 479 Ca -0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1pj6 h ALA 479 Cb 1.33 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pj6 h ALA 479 CO 0.61 0.57 -0.07 2.35 0.00 0.00 0.00 179.25 182.70 1pj6 h TRP 480 N 1.05 -0.19 0.00 0.00 2.91 -1.97 -2.55 115.95 115.19 1pj6 h TRP 480 Ca 0.27 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.27 1pj6 h TRP 480 Cb 0.03 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1pj6 h TRP 480 CO 0.01 0.26 -0.05 0.66 -1.03 0.00 0.00 178.44 178.29 1pj6 h SER 481 N -0.81 0.00 1.10 2.65 4.64 -1.92 -2.20 113.55 117.00 1pj6 h SER 481 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1pj6 h SER 481 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1pj6 h SER 481 CO 0.03 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1pj6 n GLY 482 N -0.54 -1.54 3.74 -0.77 0.00 0.21 -4.67 105.19 101.61 1pj6 n GLY 482 Ca -0.01 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1pj6 n GLY 482 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pj6 s MET 483 N -3.02 4.39 -1.47 1.61 -1.94 -0.83 -2.86 119.30 115.18 1pj6 s MET 483 Ca 0.13 2.05 -0.06 0.00 -1.71 0.00 0.00 55.69 56.10 1pj6 s MET 483 Cb 0.17 -3.20 0.03 0.00 2.01 0.00 0.00 34.83 33.84 1pj6 s MET 483 CO 0.54 -0.26 0.60 1.19 -0.01 0.00 0.00 175.02 177.08 1pj6 n PHE 484 N 2.68 -1.96 -4.11 -0.03 3.01 -1.26 -4.97 117.46 110.82 1pj6 n PHE 484 Ca 0.06 0.53 -0.11 0.00 1.01 0.00 0.00 57.45 58.95 1pj6 n PHE 484 Cb 0.43 -4.04 -0.11 0.00 -0.01 0.00 0.00 39.48 35.75 1pj6 n PHE 484 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pj6 s SER 485 N -2.74 0.87 -0.07 4.37 0.15 -1.13 -5.07 113.70 110.07 1pj6 s SER 485 Ca 0.35 -0.82 -0.12 0.00 0.70 0.00 0.00 55.95 56.05 1pj6 s SER 485 Cb -0.17 0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1pj6 s SER 485 CO 0.43 -0.39 0.30 -0.55 1.20 0.00 0.00 173.24 174.23 1pj6 s SER 486 N -2.44 -0.25 0.41 5.45 0.15 -1.26 -4.99 113.70 110.76 1pj6 s SER 486 Ca 0.02 0.36 0.26 0.00 0.70 0.00 0.00 55.95 57.29 1pj6 s SER 486 Cb -0.00 0.48 1.44 0.00 -1.71 0.00 0.00 66.02 66.23 1pj6 s SER 486 CO -0.04 -0.27 1.80 1.55 1.20 0.00 0.00 173.24 177.49 1pj6 h PRO 487 N 4.81 0.00 0.00 5.44 0.13 -2.00 -2.06 132.00 138.32 1pj6 h PRO 487 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1pj6 h PRO 487 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1pj6 h PRO 487 CO 0.35 0.00 -0.03 0.82 -0.23 0.00 0.00 178.00 178.91 1pj6 h ILE 488 N 0.00 0.96 -0.34 -3.56 2.04 -1.94 -0.86 117.51 113.80 1pj6 h ILE 488 Ca 0.00 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1pj6 h ILE 488 Cb 0.05 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1pj6 h ILE 488 CO 0.00 0.03 0.23 0.00 0.00 0.00 0.00 178.15 178.41 1pj6 h ALA 489 N 1.97 1.90 -0.62 1.87 0.00 -1.73 -1.16 119.26 121.49 1pj6 h ALA 489 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1pj6 h ALA 489 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1pj6 h ALA 489 CO 0.00 0.05 0.16 0.00 0.00 0.00 0.00 179.25 179.46 1pj6 h ALA 490 N 1.81 0.81 -0.49 0.00 0.00 -1.35 -0.88 119.26 119.16 1pj6 h ALA 490 Ca 0.14 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1pj6 h ALA 490 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1pj6 h ALA 490 CO -0.03 0.52 0.06 0.00 0.00 0.00 0.00 179.25 179.79 1pj6 h ALA 491 N 1.05 1.17 -0.46 0.00 0.00 -1.28 -0.00 119.26 119.74 1pj6 h ALA 491 Ca 0.19 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1pj6 h ALA 491 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1pj6 h ALA 491 CO 0.00 0.55 -0.14 0.93 0.00 0.00 0.00 179.25 180.58 1pj6 h GLU 492 N 0.74 0.87 -0.27 0.00 5.08 -0.97 -1.41 114.58 118.63 1pj6 h GLU 492 Ca 0.15 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1pj6 h GLU 492 Cb 0.37 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1pj6 h GLU 492 CO 0.01 0.96 0.03 0.00 -1.00 0.00 0.00 179.01 179.01 1pj6 h ALA 493 N 1.05 0.36 -0.33 3.43 0.00 -0.97 -1.55 119.26 121.26 1pj6 h ALA 493 Ca 0.12 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1pj6 h ALA 493 Cb 0.67 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1pj6 h ALA 493 CO 0.05 0.07 -0.12 2.35 0.00 0.00 0.00 179.25 181.59 1pj6 h TRP 494 N 0.26 -0.29 -0.01 0.00 7.01 -0.84 -0.58 115.95 121.51 1pj6 h TRP 494 Ca 0.08 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.00 1pj6 h TRP 494 Cb 0.36 0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 1pj6 h TRP 494 CO 0.03 -0.19 -0.55 0.87 -2.79 0.00 0.00 178.44 175.80 1pj6 h LYS 495 N -0.06 0.02 -0.63 2.65 1.79 -1.14 -0.73 116.57 118.48 1pj6 h LYS 495 Ca 0.17 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1pj6 h LYS 495 Cb 0.31 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1pj6 h LYS 495 CO -0.38 0.57 0.05 1.15 -1.08 0.00 0.00 179.45 179.76 1pj6 h THR 496 N 0.02 1.26 0.00 -0.16 2.02 -0.68 0.98 112.91 116.35 1pj6 h THR 496 Ca -0.00 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.00 1pj6 h THR 496 Cb 0.98 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1pj6 h THR 496 CO 0.07 0.40 -0.40 0.03 0.37 0.00 0.00 175.52 175.99 1pj6 h ARG 497 N 0.99 0.00 0.00 6.66 2.47 -0.71 -3.36 114.38 120.43 1pj6 h ARG 497 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1pj6 h ARG 497 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1pj6 h ARG 497 CO 0.02 0.40 -0.29 0.25 0.56 0.00 0.00 179.97 180.91 1pj6 n THR 498 N -3.39 0.00 0.00 2.04 -2.24 -0.32 -4.64 114.28 105.74 1pj6 n THR 498 Ca 0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1pj6 n THR 498 Cb 0.59 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1pj6 n THR 498 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pj6 n ALA 499 N -1.15 0.00 -3.55 6.98 0.00 0.32 -4.78 120.51 118.33 1pj6 n ALA 499 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1pj6 n ALA 499 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 1pj6 n ALA 499 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pj6 s VAL 500 N 2.48 0.00 0.05 0.00 0.11 -1.08 -1.16 120.40 120.80 1pj6 s VAL 500 Ca 0.00 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1pj6 s VAL 500 Cb 0.00 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1pj6 s VAL 500 CO 0.00 -0.01 -0.07 0.00 -3.33 0.00 0.00 175.10 171.69 1pj6 s ALA 501 N 0.16 0.59 -0.27 1.54 0.00 -0.02 -2.58 121.76 121.19 1pj6 s ALA 501 Ca -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1pj6 s ALA 501 Cb -0.04 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1pj6 s ALA 501 CO 0.02 -0.07 -0.05 -1.64 0.00 0.00 0.00 175.76 174.01 1pj6 s MET 502 N -1.97 2.62 -0.06 0.00 -1.94 0.34 -1.55 119.30 116.74 1pj6 s MET 502 Ca -0.07 -1.12 -0.03 0.00 -1.71 0.00 0.00 55.69 52.76 1pj6 s MET 502 Cb -0.07 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 1pj6 s MET 502 CO -0.01 -0.49 0.10 0.71 -0.01 0.00 0.00 175.02 175.32 1pj6 s TYR 503 N 1.27 3.40 -0.63 -0.03 1.51 -0.26 -1.62 117.35 120.98 1pj6 s TYR 503 Ca -0.03 0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 56.15 1pj6 s TYR 503 Cb -0.18 -1.83 0.08 0.00 -0.11 0.00 0.00 41.96 39.92 1pj6 s TYR 503 CO -0.04 0.61 0.87 0.34 -1.11 0.00 0.00 175.55 176.22 1pj6 s ASP 504 N -1.35 6.18 0.00 2.29 -1.08 -1.26 -0.74 116.67 120.71 1pj6 s ASP 504 Ca 0.19 -1.11 0.16 0.00 -0.52 0.00 0.00 52.55 51.27 1pj6 s ASP 504 Cb -0.12 -2.38 0.47 0.00 -1.46 0.00 0.00 42.92 39.44 1pj6 s ASP 504 CO 0.09 -1.31 1.39 0.23 0.52 0.00 0.00 175.17 176.08 1pj6 n MET 505 N 7.21 2.08 -0.27 4.34 2.81 0.32 -4.51 117.12 129.12 1pj6 n MET 505 Ca -0.06 -1.67 0.05 0.00 -1.81 0.00 0.00 57.70 54.21 1pj6 n MET 505 Cb 0.44 -1.39 0.19 0.00 -0.71 0.00 0.00 33.22 31.76 1pj6 n MET 505 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1pj6 h THR 506 N 2.85 0.69 0.00 2.03 2.02 -1.84 -1.77 112.91 116.89 1pj6 h THR 506 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1pj6 h THR 506 Cb 0.65 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1pj6 h THR 506 CO 0.00 0.09 0.00 -2.65 0.37 0.00 0.00 175.52 173.33 1pj6 n PRO 507 N -4.95 0.03 -1.67 6.66 -0.02 -1.26 -4.74 135.00 129.05 1pj6 n PRO 507 Ca 0.15 0.33 -0.45 0.00 -2.02 0.00 0.00 63.50 61.51 1pj6 n PRO 507 Cb 0.41 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 1pj6 n PRO 507 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1pj6 n LEU 508 N -1.62 3.85 -4.64 2.45 7.94 -0.66 -4.86 117.00 119.46 1pj6 n LEU 508 Ca 0.03 0.94 -0.52 0.00 -1.11 0.00 0.00 56.01 55.35 1pj6 n LEU 508 Cb 0.15 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 42.57 1pj6 n LEU 508 CO 0.12 0.09 1.11 1.17 -1.11 0.00 0.00 177.39 178.76 1pj6 n LYS 509 N 6.86 1.43 -3.98 1.96 3.00 -1.25 -4.86 118.16 121.33 1pj6 n LYS 509 Ca 0.21 0.52 -0.30 0.00 -0.00 0.00 0.00 58.31 58.74 1pj6 n LYS 509 Cb 0.36 -2.22 -0.16 0.00 0.00 0.00 0.00 35.03 33.01 1pj6 n LYS 509 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1pj6 s ARG 510 N 1.58 1.97 -0.07 1.64 3.52 -1.26 -0.73 118.95 125.60 1pj6 s ARG 510 Ca 0.87 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.87 1pj6 s ARG 510 Cb -0.90 -2.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 1pj6 s ARG 510 CO 0.50 -0.35 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.91 1pj6 s LEU 511 N 1.49 2.30 -0.25 -0.88 1.43 -0.49 -0.86 118.68 121.41 1pj6 s LEU 511 Ca 0.02 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 1pj6 s LEU 511 Cb -0.15 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1pj6 s LEU 511 CO -0.09 0.24 0.14 -0.70 0.23 0.00 0.00 176.35 176.17 1pj6 s GLU 512 N -0.12 3.89 -0.23 1.70 2.12 0.42 -0.00 118.70 126.49 1pj6 s GLU 512 Ca -0.04 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 54.90 1pj6 s GLU 512 Cb -0.14 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1pj6 s GLU 512 CO 0.04 -0.10 -0.06 0.08 -0.54 0.00 0.00 175.26 174.68 1pj6 s VAL 513 N 1.46 3.12 0.07 3.70 1.01 -0.05 -0.88 120.40 128.82 1pj6 s VAL 513 Ca 0.06 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1pj6 s VAL 513 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1pj6 s VAL 513 CO 0.07 0.37 0.01 -0.94 0.00 0.00 0.00 175.10 174.60 1pj6 s SER 514 N 1.42 0.42 0.00 3.32 1.04 -0.21 -0.97 113.70 118.72 1pj6 s SER 514 Ca 0.04 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1pj6 s SER 514 Cb -0.15 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1pj6 s SER 514 CO -0.05 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1pj6 n GLY 515 N 0.05 2.52 0.31 7.32 0.00 -0.45 -0.28 105.19 114.66 1pj6 n GLY 515 Ca -0.12 -2.04 0.19 0.00 0.00 0.00 0.00 46.02 44.06 1pj6 n GLY 515 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pj6 h PRO 516 N 0.00 0.00 -0.30 1.61 0.13 -1.78 -0.68 132.00 130.98 1pj6 h PRO 516 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pj6 h PRO 516 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pj6 h PRO 516 CO 0.00 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.20 1pj6 n GLY 517 N -0.86 1.01 0.08 1.56 0.00 -0.08 -4.60 105.19 102.30 1pj6 n GLY 517 Ca -0.02 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 1pj6 n GLY 517 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj6 h ALA 518 N 4.23 0.13 -0.33 4.61 0.00 -1.29 -1.02 119.26 125.60 1pj6 h ALA 518 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pj6 h ALA 518 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1pj6 h ALA 518 CO 0.00 -0.34 0.17 1.25 0.00 0.00 0.00 179.25 180.34 1pj6 h LEU 519 N 0.08 0.27 -0.55 0.00 5.85 -1.81 -1.50 115.31 117.63 1pj6 h LEU 519 Ca 0.04 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1pj6 h LEU 519 Cb 0.07 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1pj6 h LEU 519 CO -0.01 0.20 0.23 0.50 -0.34 0.00 0.00 178.44 179.02 1pj6 h LYS 520 N 0.36 0.42 -0.12 1.25 3.64 -1.81 0.17 116.57 120.47 1pj6 h LYS 520 Ca 0.13 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1pj6 h LYS 520 Cb 0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1pj6 h LYS 520 CO -0.08 0.28 0.06 1.25 -2.27 0.00 0.00 179.45 178.69 1pj6 h LEU 521 N 0.43 0.09 -0.89 5.20 5.85 -0.83 -2.58 115.31 122.59 1pj6 h LEU 521 Ca 0.27 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 1pj6 h LEU 521 Cb 0.27 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1pj6 h LEU 521 CO -0.24 0.07 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.50 1pj6 h LEU 522 N 0.13 0.39 -1.36 2.25 3.38 -0.89 -1.76 115.31 117.46 1pj6 h LEU 522 Ca 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1pj6 h LEU 522 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1pj6 h LEU 522 CO -0.03 0.72 0.25 1.56 0.09 0.00 0.00 178.44 181.03 1pj6 h GLN 523 N 0.32 0.68 0.15 1.13 1.08 -0.53 -1.71 115.11 116.24 1pj6 h GLN 523 Ca 0.04 -0.07 -0.30 0.00 -1.45 0.00 0.00 58.65 56.86 1pj6 h GLN 523 Cb 0.78 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1pj6 h GLN 523 CO 0.06 0.52 -1.39 1.49 -0.95 0.00 0.00 178.83 178.56 1pj6 h GLU 524 N 0.69 0.32 0.00 1.46 4.57 -1.06 -3.37 114.58 117.19 1pj6 h GLU 524 Ca 0.17 -0.54 -0.16 0.00 -1.18 0.00 0.00 59.36 57.65 1pj6 h GLU 524 Cb 0.06 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1pj6 h GLU 524 CO -0.03 1.23 -0.86 -0.07 -1.18 0.00 0.00 179.01 178.10 1pj6 h LEU 525 N 0.09 0.00-10.27 1.64 3.38 -1.22 -1.65 115.31 107.28 1pj6 h LEU 525 Ca -0.20 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.29 1pj6 h LEU 525 Cb 2.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 1pj6 h LEU 525 CO 0.20 0.70 -0.33 0.42 0.09 0.00 0.00 178.44 179.53 1pj6 s THR 526 N -2.85 2.65 -2.01 0.22 -4.23 -0.65 -4.06 115.64 104.71 1pj6 s THR 526 Ca 0.02 -1.25 0.18 0.00 -1.18 0.00 0.00 61.69 59.45 1pj6 s THR 526 Cb 0.09 -2.91 0.50 0.00 1.34 0.00 0.00 72.50 71.52 1pj6 s THR 526 CO 0.78 0.00 1.42 0.35 -0.54 0.00 0.00 174.62 176.64 1pj6 n THR 527 N -1.67 0.75 -4.17 3.99 -2.24 -0.77 -4.69 114.28 105.48 1pj6 n THR 527 Ca 0.05 -0.76 -0.29 0.00 -2.27 0.00 0.00 64.05 60.78 1pj6 n THR 527 Cb 0.61 0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 1pj6 n THR 527 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pj6 s ALA 528 N -1.25 3.18 -0.60 6.98 0.00 -1.26 -0.94 121.76 127.87 1pj6 s ALA 528 Ca 0.38 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.88 1pj6 s ALA 528 Cb 0.20 -1.07 0.04 0.00 0.00 0.00 0.00 23.12 22.28 1pj6 s ALA 528 CO 0.26 0.65 1.10 0.34 0.00 0.00 0.00 175.76 178.10 1pj6 s ASP 529 N -2.40 6.34 0.00 0.00 2.15 -1.26 -4.83 116.67 116.67 1pj6 s ASP 529 Ca 0.25 -0.24 0.21 0.00 0.43 0.00 0.00 52.55 53.20 1pj6 s ASP 529 Cb -0.11 -2.50 0.63 0.00 -0.30 0.00 0.00 42.92 40.64 1pj6 s ASP 529 CO 0.17 -1.44 1.49 0.18 -0.17 0.00 0.00 175.17 175.40 1pj6 n LEU 530 N 8.17 2.20 -4.29 -1.34 4.77 -1.26 -4.66 117.00 120.59 1pj6 n LEU 530 Ca 0.04 -0.93 -0.43 0.00 -0.03 0.00 0.00 56.01 54.66 1pj6 n LEU 530 Cb 0.48 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1pj6 n LEU 530 CO 0.68 0.46 2.09 0.00 -1.33 0.00 0.00 177.39 179.30 1pj6 n ALA 531 N 0.68 4.24 -2.59 -1.18 0.00 -1.26 -4.86 120.51 115.54 1pj6 n ALA 531 Ca 0.17 -3.94 -0.17 0.00 0.00 0.00 0.00 53.44 49.50 1pj6 n ALA 531 Cb 0.41 -3.48 -0.11 0.00 0.00 0.00 0.00 19.45 16.27 1pj6 n ALA 531 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pj6 s LYS 532 N 3.35 0.88 0.63 0.00 1.02 -1.26 -5.13 119.74 119.23 1pj6 s LYS 532 Ca 0.50 -1.08 -0.18 0.00 0.02 0.00 0.00 55.97 55.22 1pj6 s LYS 532 Cb 0.06 -0.76 -0.02 0.00 -0.52 0.00 0.00 37.83 36.59 1pj6 s LYS 532 CO 0.02 0.15 1.28 -1.59 -0.92 0.00 0.00 175.35 174.30 1pj6 s LYS 533 N -2.26 2.68 0.33 1.68 0.00 -1.26 -4.88 119.74 116.03 1pj6 s LYS 533 Ca 0.03 2.04 -0.27 0.00 0.00 0.00 0.00 55.97 57.77 1pj6 s LYS 533 Cb -0.07 -1.90 -0.13 0.00 0.00 0.00 0.00 37.83 35.74 1pj6 s LYS 533 CO 0.02 -1.49 1.01 -2.30 0.00 0.00 0.00 175.35 172.58 1pj6 n PRO 534 N -1.77 1.37 0.00 1.78 -0.02 -1.26 -3.02 135.00 132.08 1pj6 n PRO 534 Ca 0.15 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1pj6 n PRO 534 Cb 0.48 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1pj6 n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pj6 n GLY 535 N 1.20 2.03 3.73 -1.23 0.00 0.76 -5.01 105.19 106.68 1pj6 n GLY 535 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1pj6 n GLY 535 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj6 s ALA 536 N -2.22 3.27 -0.12 4.61 0.00 -1.17 -0.34 121.76 125.80 1pj6 s ALA 536 Ca 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 1pj6 s ALA 536 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1pj6 s ALA 536 CO 0.00 -0.03 -0.04 0.08 0.00 0.00 0.00 175.76 175.77 1pj6 s VAL 537 N -0.13 3.95 -0.05 0.00 1.01 -0.49 -1.74 120.40 122.95 1pj6 s VAL 537 Ca 0.47 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1pj6 s VAL 537 Cb -0.24 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1pj6 s VAL 537 CO 0.31 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.98 1pj6 s THR 538 N -0.25 0.84 -0.09 3.92 2.01 0.16 -4.77 115.64 117.46 1pj6 s THR 538 Ca 0.04 -0.32 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 1pj6 s THR 538 Cb -0.13 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1pj6 s THR 538 CO 0.02 0.28 0.64 -0.47 -0.69 0.00 0.00 174.62 174.41 1pj6 s TYR 539 N 0.68 3.54 0.22 4.92 5.04 -1.26 -0.43 117.35 130.07 1pj6 s TYR 539 Ca -0.12 1.13 -0.14 0.00 -2.44 0.00 0.00 57.07 55.51 1pj6 s TYR 539 Cb -0.14 -2.75 0.01 0.00 0.35 0.00 0.00 41.96 39.43 1pj6 s TYR 539 CO 0.02 0.08 0.48 -0.08 -1.34 0.00 0.00 175.55 174.71 1pj6 s THR 540 N 0.87 0.02 0.12 4.34 -1.32 -0.26 -4.87 115.64 114.54 1pj6 s THR 540 Ca 0.34 -1.21 0.07 0.00 -1.21 0.00 0.00 61.69 59.67 1pj6 s THR 540 Cb -0.17 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 68.81 1pj6 s THR 540 CO 0.15 -0.08 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.68 1pj6 s LEU 541 N -2.97 3.24 -0.24 9.08 1.43 -1.26 -0.55 118.68 127.40 1pj6 s LEU 541 Ca 0.17 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1pj6 s LEU 541 Cb -0.01 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1pj6 s LEU 541 CO 0.04 0.15 0.08 -0.76 0.23 0.00 0.00 176.35 176.10 1pj6 s LEU 542 N -2.48 3.57 0.33 1.79 1.43 -0.35 -1.86 118.68 121.12 1pj6 s LEU 542 Ca 0.25 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 1pj6 s LEU 542 Cb -0.11 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1pj6 s LEU 542 CO 0.16 -0.01 0.29 -0.76 0.23 0.00 0.00 176.35 176.27 1pj6 s LEU 543 N 1.45 3.63 0.65 1.79 1.43 -1.26 -0.86 118.68 125.51 1pj6 s LEU 543 Ca 0.06 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1pj6 s LEU 543 Cb -0.15 -2.24 0.10 0.00 0.03 0.00 0.00 46.19 43.93 1pj6 s LEU 543 CO 0.04 -0.32 0.90 1.51 0.23 0.00 0.00 176.35 178.71 1pj6 s ASP 544 N -3.98 4.72 0.38 2.29 1.47 -0.50 -4.75 116.67 116.29 1pj6 s ASP 544 Ca 0.40 -0.40 0.27 0.00 1.18 0.00 0.00 52.55 54.00 1pj6 s ASP 544 Cb -0.06 -0.14 1.31 0.00 -0.34 0.00 0.00 42.92 43.70 1pj6 s ASP 544 CO 0.26 -1.58 1.81 0.45 0.68 0.00 0.00 175.17 176.79 1pj6 h HIS 545 N -0.23 0.00 -0.10 2.11 3.86 -1.90 -0.69 115.15 118.20 1pj6 h HIS 545 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1pj6 h HIS 545 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1pj6 h HIS 545 CO 0.06 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.85 1pj6 n ALA 546 N -1.85 2.53 -0.81 2.45 0.00 -1.26 -4.44 120.51 117.13 1pj6 n ALA 546 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1pj6 n ALA 546 Cb 0.13 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1pj6 n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj6 n GLY 547 N 1.20 0.68 3.80 0.00 0.00 -0.27 -4.81 105.19 105.79 1pj6 n GLY 547 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1pj6 n GLY 547 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pj6 s GLY 548 N -1.95 2.51 -0.58 -0.02 0.00 -1.26 -4.19 107.32 101.84 1pj6 s GLY 548 Ca 0.00 0.59 -0.25 0.00 0.00 0.00 0.00 44.72 45.06 1pj6 s GLY 548 CO 0.00 0.91 1.02 0.14 0.00 0.00 0.00 173.10 175.17 1pj6 s VAL 549 N -1.99 4.26 0.25 1.40 1.01 -0.49 -1.41 120.40 123.42 1pj6 s VAL 549 Ca 0.66 0.39 0.05 0.00 0.00 0.00 0.00 61.98 63.08 1pj6 s VAL 549 Cb -0.16 -4.61 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 1pj6 s VAL 549 CO 0.19 -1.23 1.59 0.03 0.00 0.00 0.00 175.10 175.68 1pj6 h ARG 550 N 9.42 0.25 -1.35 2.72 3.08 -1.28 -2.78 114.38 124.45 1pj6 h ARG 550 Ca -0.26 -0.16 0.20 0.00 0.07 0.00 0.00 59.98 59.83 1pj6 h ARG 550 Cb 1.07 0.02 -0.23 0.00 0.08 0.00 0.00 29.97 30.90 1pj6 h ARG 550 CO 1.13 0.74 0.79 0.45 -1.07 0.00 0.00 179.97 182.01 1pj6 s SER 551 N -6.89 -0.16 -0.13 7.04 0.15 -1.11 -4.93 113.70 107.67 1pj6 s SER 551 Ca -0.04 0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 1pj6 s SER 551 Cb 0.12 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1pj6 s SER 551 CO 0.79 -0.19 -0.09 1.51 1.20 0.00 0.00 173.24 176.46 1pj6 s ASP 552 N -1.43 4.36 0.19 5.45 -4.77 -1.26 -1.21 116.67 118.00 1pj6 s ASP 552 Ca 0.06 -0.22 0.03 0.00 -3.30 0.00 0.00 52.55 49.13 1pj6 s ASP 552 Cb -0.01 -1.58 -0.05 0.00 -1.09 0.00 0.00 42.92 40.19 1pj6 s ASP 552 CO -0.04 0.20 -0.03 0.27 0.70 0.00 0.00 175.17 176.26 1pj6 s ILE 553 N 0.17 0.98 -0.08 2.11 -4.36 0.28 -4.62 121.20 115.69 1pj6 s ILE 553 Ca -0.05 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.31 1pj6 s ILE 553 Cb -0.14 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 1pj6 s ILE 553 CO 0.04 -0.49 -0.04 0.42 0.24 0.00 0.00 174.94 175.11 1pj6 s THR 554 N -3.46 3.99 -0.16 8.37 -4.23 -0.63 -1.10 115.64 118.43 1pj6 s THR 554 Ca 0.24 -0.37 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 1pj6 s THR 554 Cb 0.05 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1pj6 s THR 554 CO 0.05 0.60 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.84 1pj6 s VAL 555 N -0.84 2.00 -0.18 2.29 1.01 0.43 -1.15 120.40 123.97 1pj6 s VAL 555 Ca 0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1pj6 s VAL 555 Cb -0.11 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1pj6 s VAL 555 CO 0.02 0.54 -0.11 0.00 0.00 0.00 0.00 175.10 175.54 1pj6 s ALA 556 N 1.06 2.62 -0.41 5.51 0.00 0.41 -0.66 121.76 130.28 1pj6 s ALA 556 Ca -0.01 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.60 1pj6 s ALA 556 Cb -0.14 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.60 1pj6 s ALA 556 CO -0.07 -0.18 0.91 0.50 0.00 0.00 0.00 175.76 176.92 1pj6 s ARG 557 N 1.06 3.68 0.04 0.00 3.52 -0.71 -0.76 118.95 125.77 1pj6 s ARG 557 Ca -0.00 0.34 0.15 0.00 -0.13 0.00 0.00 55.73 56.08 1pj6 s ARG 557 Cb -0.15 -3.86 -0.16 0.00 -1.56 0.00 0.00 34.95 29.22 1pj6 s ARG 557 CO -0.02 -1.07 0.83 -0.07 -0.81 0.00 0.00 175.30 174.15 1pj6 h LEU 558 N 10.28 0.00 0.00 -0.88 3.38 -1.19 0.22 115.31 127.11 1pj6 h LEU 558 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1pj6 h LEU 558 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1pj6 h LEU 558 CO 1.00 0.75 0.15 -1.54 0.09 0.00 0.00 178.44 178.89 1pj6 n SER 559 N -2.99 -1.13 -0.31 -0.43 3.41 -1.02 -4.73 113.62 106.42 1pj6 n SER 559 Ca -0.11 -1.77 0.01 0.00 -0.26 0.00 0.00 58.87 56.73 1pj6 n SER 559 Cb 0.92 1.89 0.14 0.00 -0.26 0.00 0.00 64.21 66.89 1pj6 n SER 559 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1pj6 h GLU 560 N 0.00 0.96 -0.08 4.33 4.81 -1.99 -3.13 114.58 119.49 1pj6 h GLU 560 Ca -0.17 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1pj6 h GLU 560 Cb 0.62 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1pj6 h GLU 560 CO 0.21 0.64 0.00 -0.25 -0.73 0.00 0.00 179.01 178.88 1pj6 n ASP 561 N -4.61 2.59 -3.90 1.04 8.00 -1.26 -4.82 116.55 113.59 1pj6 n ASP 561 Ca 0.12 -2.70 -0.24 0.00 0.71 0.00 0.00 54.79 52.69 1pj6 n ASP 561 Cb 0.17 -0.32 -0.17 0.00 -0.02 0.00 0.00 41.12 40.78 1pj6 n ASP 561 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pj6 s THR 562 N -2.22 0.79 -0.02 -3.53 2.01 -1.18 -1.34 115.64 110.14 1pj6 s THR 562 Ca 0.25 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1pj6 s THR 562 Cb 0.21 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1pj6 s THR 562 CO 0.04 0.31 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.73 1pj6 s PHE 563 N 1.33 1.76 -0.18 4.92 0.40 -0.15 -0.59 117.98 125.48 1pj6 s PHE 563 Ca -0.03 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1pj6 s PHE 563 Cb -0.14 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 1pj6 s PHE 563 CO -0.03 -0.07 -0.05 -1.14 0.70 0.00 0.00 175.22 174.63 1pj6 s GLN 564 N -0.32 3.53 -0.08 0.44 0.74 0.06 -0.87 119.66 123.15 1pj6 s GLN 564 Ca 0.04 -0.58 -0.00 0.00 0.05 0.00 0.00 55.36 54.87 1pj6 s GLN 564 Cb -0.09 -2.92 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 1pj6 s GLN 564 CO 0.00 0.08 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.26 1pj6 s LEU 565 N 0.77 3.26 -0.25 3.68 1.02 1.00 -0.44 118.68 127.72 1pj6 s LEU 565 Ca -0.02 0.00 -0.09 0.00 0.02 0.00 0.00 54.13 54.04 1pj6 s LEU 565 Cb -0.15 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 1pj6 s LEU 565 CO 0.02 0.34 0.13 -0.83 0.02 0.00 0.00 176.35 176.03 1pj6 s GLY 566 N -0.70 1.89 0.06 -3.19 0.00 -0.30 -1.40 107.32 103.69 1pj6 s GLY 566 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1pj6 s GLY 566 CO 0.02 0.46 0.01 0.00 0.00 0.00 0.00 173.10 173.59 1pj6 n ALA 567 N 4.59 0.08 0.78 3.20 0.00 0.09 -1.60 120.51 127.66 1pj6 n ALA 567 Ca -0.15 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.05 1pj6 n ALA 567 Cb 0.52 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 20.09 1pj6 n ALA 567 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pj6 n ASN 568 N -1.69 0.99 0.00 0.00 3.02 -1.26 -3.79 115.26 112.52 1pj6 n ASN 568 Ca -0.02 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1pj6 n ASN 568 Cb 0.09 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 1pj6 n ASN 568 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pj6 n GLY 569 N 1.35 -0.86 0.03 7.41 0.00 -1.26 -4.90 105.19 106.96 1pj6 n GLY 569 Ca 0.04 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.95 1pj6 n GLY 569 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pj6 n ASN 570 N 1.81 0.23 -0.25 1.61 4.13 -1.26 -1.92 115.26 119.61 1pj6 n ASN 570 Ca 0.00 0.52 -0.07 0.00 1.68 0.00 0.00 54.58 56.71 1pj6 n ASN 570 Cb 0.00 -0.59 0.04 0.00 -1.54 0.00 0.00 39.78 37.70 1pj6 n ASN 570 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1pj6 h ILE 571 N 0.00 1.26 -0.37 2.41 2.04 -1.82 -1.83 117.51 119.21 1pj6 h ILE 571 Ca 0.00 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1pj6 h ILE 571 Cb 0.55 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1pj6 h ILE 571 CO 0.00 0.36 0.11 0.44 0.00 0.00 0.00 178.15 179.06 1pj6 h ASP 572 N 1.03 0.54 -0.30 1.72 3.32 -1.73 -1.57 116.42 119.43 1pj6 h ASP 572 Ca 0.22 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1pj6 h ASP 572 Cb 0.35 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1pj6 h ASP 572 CO -0.00 0.60 0.09 0.74 -1.72 0.00 0.00 179.24 178.95 1pj6 h THR 573 N 0.44 0.89 -0.45 0.35 2.02 -1.29 -1.02 112.91 113.86 1pj6 h THR 573 Ca 0.12 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 1pj6 h THR 573 Cb 0.26 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1pj6 h THR 573 CO -0.00 0.04 -0.01 0.00 0.37 0.00 0.00 175.52 175.92 1pj6 h ALA 574 N 1.20 1.15 -0.38 6.16 0.00 -1.24 -0.76 119.26 125.40 1pj6 h ALA 574 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1pj6 h ALA 574 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1pj6 h ALA 574 CO -0.16 0.55 0.11 -0.92 0.00 0.00 0.00 179.25 178.83 1pj6 h TYR 575 N 0.69 0.62 -0.35 0.00 3.20 -0.70 -1.97 116.97 118.45 1pj6 h TYR 575 Ca 0.14 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 1pj6 h TYR 575 Cb 0.43 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1pj6 h TYR 575 CO 0.02 0.59 -0.29 0.74 -1.64 0.00 0.00 178.16 177.58 1pj6 h PHE 576 N 0.47 0.87 -0.26 -3.82 -1.00 -0.96 -2.00 116.94 110.24 1pj6 h PHE 576 Ca 0.12 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1pj6 h PHE 576 Cb 0.27 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1pj6 h PHE 576 CO 0.01 0.95 0.13 0.93 -1.61 0.00 0.00 178.31 178.73 1pj6 h GLU 577 N 0.64 0.37 -0.38 1.51 5.08 -0.93 0.11 114.58 120.98 1pj6 h GLU 577 Ca 0.08 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1pj6 h GLU 577 Cb 0.82 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1pj6 h GLU 577 CO 0.07 0.36 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.06 1pj6 h ARG 578 N 0.30 0.86 -0.70 2.33 2.43 -1.32 -1.67 114.38 116.62 1pj6 h ARG 578 Ca 0.09 -0.42 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 1pj6 h ARG 578 Cb 0.10 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1pj6 h ARG 578 CO -0.01 1.06 0.19 0.00 -1.51 0.00 0.00 179.97 179.70 1pj6 h ALA 579 N 0.78 1.01 -0.53 2.80 0.00 -1.06 -0.02 119.26 122.25 1pj6 h ALA 579 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1pj6 h ALA 579 Cb 0.86 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1pj6 h ALA 579 CO 0.07 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.18 1pj6 h ALA 580 N 1.15 0.69 -0.52 0.00 0.00 -0.71 -1.23 119.26 118.63 1pj6 h ALA 580 Ca 0.22 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1pj6 h ALA 580 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1pj6 h ALA 580 CO -0.00 0.30 0.01 -0.09 0.00 0.00 0.00 179.25 179.47 1pj6 h ARG 581 N 0.71 0.91 -0.48 0.00 2.43 -0.73 -1.27 114.38 115.95 1pj6 h ARG 581 Ca 0.18 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1pj6 h ARG 581 Cb 0.21 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1pj6 h ARG 581 CO -0.01 0.93 0.10 0.45 -1.51 0.00 0.00 179.97 179.92 1pj6 h HIS 582 N 0.78 0.84 -0.67 2.20 3.86 -0.85 -0.16 115.15 121.14 1pj6 h HIS 582 Ca 0.15 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1pj6 h HIS 582 Cb 0.51 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1pj6 h HIS 582 CO 0.04 0.76 0.35 0.37 0.86 0.00 0.00 177.93 180.31 1pj6 h GLN 583 N 0.67 0.95 -0.08 2.45 4.15 -1.06 -2.16 115.11 120.04 1pj6 h GLN 583 Ca 0.15 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1pj6 h GLN 583 Cb 0.37 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1pj6 h GLN 583 CO 0.01 0.73 0.04 1.15 -1.93 0.00 0.00 178.83 178.83 1pj6 h THR 584 N 0.93 1.09 -0.35 2.39 2.02 -0.96 -0.90 112.91 117.13 1pj6 h THR 584 Ca 0.23 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1pj6 h THR 584 Cb 0.07 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1pj6 h THR 584 CO -0.03 0.07 0.08 1.56 0.37 0.00 0.00 175.52 177.57 1pj6 h GLN 585 N 0.03 0.50 -0.03 6.66 4.20 -0.91 -2.98 115.11 122.57 1pj6 h GLN 585 Ca 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1pj6 h GLN 585 Cb 0.08 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1pj6 h GLN 585 CO -0.00 0.46 -0.02 -1.13 -0.67 0.00 0.00 178.83 177.47 1pj6 n SER 586 N -4.35 2.77 -3.62 1.46 3.41 -0.82 -5.01 113.62 107.46 1pj6 n SER 586 Ca 0.02 -1.88 -0.12 0.00 -0.26 0.00 0.00 58.87 56.62 1pj6 n SER 586 Cb 0.18 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1pj6 n SER 586 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pj6 n GLY 587 N 1.23 2.36 1.13 5.00 0.00 -0.35 -5.07 105.19 109.48 1pj6 n GLY 587 Ca 0.12 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 1pj6 n GLY 587 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pj6 n SER 588 N -2.31 0.21 0.30 1.61 3.41 -1.26 -4.90 113.62 110.67 1pj6 n SER 588 Ca 0.05 -1.24 0.20 0.00 -0.26 0.00 0.00 58.87 57.62 1pj6 n SER 588 Cb 0.34 -0.24 1.03 0.00 -0.26 0.00 0.00 64.21 65.08 1pj6 n SER 588 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pj6 h ALA 589 N -1.22 1.00 -0.34 7.33 0.00 -2.01 -2.34 119.26 121.68 1pj6 h ALA 589 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pj6 h ALA 589 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pj6 h ALA 589 CO 0.10 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1pj6 n THR 590 N -2.91 0.70 0.65 0.00 -2.24 -1.26 -4.44 114.28 104.78 1pj6 n THR 590 Ca -0.02 -0.85 0.08 0.00 -2.27 0.00 0.00 64.05 60.98 1pj6 n THR 590 Cb 0.10 0.74 0.04 0.00 -2.10 0.00 0.00 70.33 69.11 1pj6 n THR 590 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pj6 n ASP 591 N 0.87 1.99 -4.77 3.42 8.00 -0.88 -2.94 116.55 122.25 1pj6 n ASP 591 Ca 0.14 -1.49 -0.36 0.00 0.71 0.00 0.00 54.79 53.78 1pj6 n ASP 591 Cb 0.46 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1pj6 n ASP 591 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1pj6 s TRP 592 N -1.49 2.70 -0.20 1.24 1.48 -1.26 -4.08 118.94 117.34 1pj6 s TRP 592 Ca 0.16 1.53 -0.15 0.00 -1.06 0.00 0.00 56.10 56.58 1pj6 s TRP 592 Cb 0.13 -3.36 0.06 0.00 -1.16 0.00 0.00 33.47 29.13 1pj6 s TRP 592 CO 0.26 -1.66 0.52 0.54 -4.06 0.00 0.00 176.95 172.55 1pj6 s VAL 593 N -1.66 -0.01 0.09 -0.66 0.11 -1.26 -0.90 120.40 116.12 1pj6 s VAL 593 Ca 0.70 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.85 1pj6 s VAL 593 Cb -0.27 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1pj6 s VAL 593 CO 0.31 0.01 -0.14 -1.10 -3.33 0.00 0.00 175.10 170.85 1pj6 s GLN 594 N 0.78 2.02 -0.10 1.54 -0.21 0.62 -4.67 119.66 119.65 1pj6 s GLN 594 Ca -0.04 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.31 1pj6 s GLN 594 Cb -0.05 -2.23 0.01 0.00 1.00 0.00 0.00 33.01 31.74 1pj6 s GLN 594 CO -0.06 0.51 -0.17 0.08 -2.12 0.00 0.00 175.29 173.53 1pj6 s VAL 595 N -1.13 1.59 -0.03 1.09 1.01 -1.26 -1.05 120.40 120.62 1pj6 s VAL 595 Ca 0.19 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1pj6 s VAL 595 Cb -0.11 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1pj6 s VAL 595 CO 0.11 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.52 1pj6 s ARG 596 N 0.70 1.46 -0.56 2.72 1.70 -0.06 -4.98 118.95 119.93 1pj6 s ARG 596 Ca -0.12 -0.50 -0.22 0.00 -0.47 0.00 0.00 55.73 54.42 1pj6 s ARG 596 Cb -0.16 -1.30 0.06 0.00 -0.57 0.00 0.00 34.95 32.97 1pj6 s ARG 596 CO 0.03 0.21 0.81 0.34 -1.08 0.00 0.00 175.30 175.61 1pj6 s ASP 597 N 0.04 6.25 0.00 -2.89 -1.08 -1.26 -0.44 116.67 117.30 1pj6 s ASP 597 Ca -0.02 -0.77 0.23 0.00 -0.52 0.00 0.00 52.55 51.47 1pj6 s ASP 597 Cb -0.10 -2.37 0.52 0.00 -1.46 0.00 0.00 42.92 39.52 1pj6 s ASP 597 CO 0.01 -1.14 1.46 0.35 0.52 0.00 0.00 175.17 176.37 1pj6 n THR 598 N 5.88 0.67 -0.15 1.71 -2.24 -0.04 -4.60 114.28 115.50 1pj6 n THR 598 Ca -0.03 -0.81 -0.04 0.00 -2.27 0.00 0.00 64.05 60.91 1pj6 n THR 598 Cb 0.46 0.74 0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1pj6 n THR 598 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1pj6 h THR 599 N 4.23 0.50 0.00 4.28 2.02 -1.88 -1.97 112.91 120.09 1pj6 h THR 599 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1pj6 h THR 599 Cb 0.95 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1pj6 h THR 599 CO 0.00 0.00 0.00 1.23 0.37 0.00 0.00 175.52 177.12 1pj6 h GLY 600 N -0.02 0.00 -0.91 2.16 0.00 -1.91 -3.01 103.07 99.38 1pj6 h GLY 600 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1pj6 h GLY 600 CO -0.50 0.00 -0.13 0.61 0.00 0.00 0.00 176.54 176.52 1pj6 n GLY 601 N 0.36 0.22 3.09 4.60 0.00 -0.75 -4.93 105.19 107.77 1pj6 n GLY 601 Ca 0.02 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1pj6 n GLY 601 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pj6 n THR 602 N 0.38 0.00 -3.96 2.61 -2.24 -1.14 -1.40 114.28 108.53 1pj6 n THR 602 Ca 0.14 -2.27 -0.09 0.00 -2.27 0.00 0.00 64.05 59.57 1pj6 n THR 602 Cb 0.45 0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 1pj6 n THR 602 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pj6 s ILE 605 N 1.17 3.89 -0.38 0.00 1.01 -0.40 -0.52 121.20 125.97 1pj6 s ILE 605 Ca -0.08 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 1pj6 s ILE 605 Cb -0.07 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.69 1pj6 s ILE 605 CO -0.10 0.47 0.85 -0.83 0.00 0.00 0.00 174.94 175.33 1pj6 s GLY 606 N 0.63 1.60 -0.43 6.18 0.00 0.09 -0.39 107.32 115.00 1pj6 s GLY 606 Ca -0.02 -0.61 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 1pj6 s GLY 606 CO 0.02 1.88 0.26 -2.27 0.00 0.00 0.00 173.10 172.99 1pj6 s LEU 607 N 3.31 5.27 0.04 0.66 2.96 -0.10 -1.10 118.68 129.72 1pj6 s LEU 607 Ca 0.34 -1.72 0.03 0.00 -0.22 0.00 0.00 54.13 52.56 1pj6 s LEU 607 Cb -0.12 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1pj6 s LEU 607 CO 0.19 -0.57 -0.11 0.26 -1.32 0.00 0.00 176.35 174.80 1pj6 s TRP 608 N 1.34 0.91 0.00 5.38 0.51 -0.60 -1.58 118.94 124.90 1pj6 s TRP 608 Ca 0.04 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.64 1pj6 s TRP 608 Cb -0.24 -0.54 0.00 0.00 -0.81 0.00 0.00 33.47 31.88 1pj6 s TRP 608 CO -0.00 -0.01 0.00 0.41 -0.51 0.00 0.00 176.95 176.84 1pj6 n GLY 609 N 1.79 4.00 0.33 0.98 0.00 0.14 -0.84 105.19 111.60 1pj6 n GLY 609 Ca -0.19 -1.64 0.22 0.00 0.00 0.00 0.00 46.02 44.40 1pj6 n GLY 609 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pj6 h PRO 610 N 0.00 0.00 -0.63 1.61 0.13 -1.59 -1.57 132.00 129.95 1pj6 h PRO 610 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pj6 h PRO 610 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pj6 h PRO 610 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 1pj6 n LEU 611 N -3.10 3.97 -0.28 1.56 4.77 -0.31 -4.54 117.00 119.06 1pj6 n LEU 611 Ca -0.02 -2.00 -0.05 0.00 -0.03 0.00 0.00 56.01 53.91 1pj6 n LEU 611 Cb 0.12 -0.51 0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1pj6 n LEU 611 CO 0.22 0.71 1.07 0.00 -1.33 0.00 0.00 177.39 178.06 1pj6 h ALA 612 N 3.92 1.09 -0.38 -1.18 0.00 -1.49 -1.23 119.26 120.00 1pj6 h ALA 612 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1pj6 h ALA 612 Cb 1.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1pj6 h ALA 612 CO 0.17 0.66 -0.37 0.00 0.00 0.00 0.00 179.25 179.71 1pj6 h ARG 613 N 1.15 0.92 -0.76 0.00 3.08 -1.82 -1.74 114.38 115.20 1pj6 h ARG 613 Ca 0.27 -0.47 0.05 0.00 0.07 0.00 0.00 59.98 59.90 1pj6 h ARG 613 Cb 0.18 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1pj6 h ARG 613 CO -0.03 1.12 0.47 -0.44 -1.07 0.00 0.00 179.97 180.03 1pj6 h ASP 614 N 0.75 0.74 0.37 7.04 3.32 -1.75 -2.19 116.42 124.71 1pj6 h ASP 614 Ca 0.07 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1pj6 h ASP 614 Cb 0.96 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1pj6 h ASP 614 CO 0.09 0.49 -0.18 0.25 -1.72 0.00 0.00 179.24 178.17 1pj6 h LEU 615 N 0.88 -0.42 -1.51 1.55 6.46 -1.11 -3.30 115.31 117.85 1pj6 h LEU 615 Ca 0.32 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1pj6 h LEU 615 Cb 0.11 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1pj6 h LEU 615 CO -0.15 -0.10 -0.24 1.62 -0.62 0.00 0.00 178.44 178.96 1pj6 h VAL 616 N -0.78 1.17 0.00 1.05 3.04 -1.27 -2.00 116.25 117.46 1pj6 h VAL 616 Ca -0.05 -0.83 -0.00 0.00 -1.01 0.00 0.00 66.70 64.81 1pj6 h VAL 616 Cb 0.52 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1pj6 h VAL 616 CO 0.08 0.24 -0.02 0.77 -1.01 0.00 0.00 177.57 177.63 1pj6 h SER 617 N 0.01 0.00 1.66 3.17 4.64 -1.47 -1.52 113.55 120.03 1pj6 h SER 617 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pj6 h SER 617 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1pj6 h SER 617 CO 0.03 0.02 0.00 0.11 -0.87 0.00 0.00 176.83 176.12 1pj6 h LYS 618 N 0.00 0.00 0.00 4.77 1.57 -1.48 -3.34 116.57 118.10 1pj6 h LYS 618 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pj6 h LYS 618 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1pj6 h LYS 618 CO 0.00 0.00 -0.16 1.33 -0.57 0.00 0.00 179.45 180.05 1pj6 n VAL 619 N -2.77 0.85 -3.75 0.50 0.24 -0.60 -5.03 118.33 107.77 1pj6 n VAL 619 Ca 0.04 -0.99 -0.14 0.00 -2.04 0.00 0.00 64.34 61.22 1pj6 n VAL 619 Cb 0.46 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.05 1pj6 n VAL 619 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pj6 s SER 620 N -1.52 -0.22 0.00 -1.34 0.15 -1.04 -0.74 113.70 108.98 1pj6 s SER 620 Ca 0.12 0.12 0.17 0.00 0.70 0.00 0.00 55.95 57.06 1pj6 s SER 620 Cb 0.10 0.33 0.27 0.00 -1.71 0.00 0.00 66.02 65.00 1pj6 s SER 620 CO 0.01 -0.45 1.19 0.47 1.20 0.00 0.00 173.24 175.65 1pj6 n ASP 621 N 1.28 2.84 -4.83 5.45 8.00 -1.26 -4.71 116.55 123.31 1pj6 n ASP 621 Ca -0.21 -1.83 -0.31 0.00 0.71 0.00 0.00 54.79 53.14 1pj6 n ASP 621 Cb 0.56 -0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1pj6 n ASP 621 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1pj6 s ASP 622 N -1.29 5.69 -0.37 -2.24 1.01 -1.26 -4.99 116.67 113.21 1pj6 s ASP 622 Ca 0.26 1.62 -0.20 0.00 0.71 0.00 0.00 52.55 54.94 1pj6 s ASP 622 Cb 0.16 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.60 1pj6 s ASP 622 CO 0.23 -1.23 0.63 -0.62 0.21 0.00 0.00 175.17 174.39 1pj6 s ASP 623 N -3.59 6.39 0.00 0.27 -1.08 -1.26 -4.90 116.67 112.50 1pj6 s ASP 623 Ca 0.59 0.02 0.16 0.00 -0.52 0.00 0.00 52.55 52.79 1pj6 s ASP 623 Cb -0.14 -2.32 0.44 0.00 -1.46 0.00 0.00 42.92 39.44 1pj6 s ASP 623 CO 0.49 -0.63 1.36 0.49 0.52 0.00 0.00 175.17 177.41 1pj6 n PHE 624 N 6.08 0.66 -0.66 -5.34 3.01 -1.26 -3.90 117.46 116.04 1pj6 n PHE 624 Ca -0.02 -0.48 -0.29 0.00 1.01 0.00 0.00 57.45 57.68 1pj6 n PHE 624 Cb 0.48 -0.02 0.25 0.00 -0.01 0.00 0.00 39.48 40.19 1pj6 n PHE 624 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1pj6 s THR 625 N -1.01 1.79 0.39 4.37 -4.23 -1.26 -4.65 115.64 111.04 1pj6 s THR 625 Ca 0.34 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.92 1pj6 s THR 625 Cb 0.18 -2.18 0.29 0.00 1.34 0.00 0.00 72.50 72.13 1pj6 s THR 625 CO 0.23 0.00 2.00 -1.13 -0.54 0.00 0.00 174.62 175.18 1pj6 h ASN 626 N -2.71 0.56 0.10 3.99 -1.24 -1.80 0.60 115.58 115.08 1pj6 h ASN 626 Ca -0.56 -0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.33 1pj6 h ASN 626 Cb 1.33 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 1pj6 h ASN 626 CO 0.46 0.38 -0.40 0.44 -1.29 0.00 0.00 177.43 177.01 1pj6 h ASP 627 N 0.65 0.41 0.42 1.15 3.32 -1.94 -3.17 116.42 117.26 1pj6 h ASP 627 Ca 0.25 -0.17 -0.25 0.00 0.02 0.00 0.00 57.03 56.88 1pj6 h ASP 627 Cb 0.19 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.63 1pj6 h ASP 627 CO -0.07 0.77 -1.09 1.23 -1.72 0.00 0.00 179.24 178.36 1pj6 h GLY 628 N 1.15 0.43 -6.45 2.75 0.00 -1.51 -3.44 103.07 96.00 1pj6 h GLY 628 Ca 0.03 -0.88 -0.17 0.00 0.00 0.00 0.00 47.33 46.31 1pj6 h GLY 628 CO 0.07 0.77 -0.50 -2.27 0.00 0.00 0.00 176.54 174.61 1pj6 s LEU 629 N -7.53 -0.63 0.63 3.11 2.96 0.11 -4.86 118.68 112.47 1pj6 s LEU 629 Ca -0.06 0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.81 1pj6 s LEU 629 Cb 0.08 1.07 -0.03 0.00 0.50 0.00 0.00 46.19 47.80 1pj6 s LEU 629 CO 0.88 -0.31 1.04 -0.54 -1.32 0.00 0.00 176.35 176.10 1pj6 s LYS 630 N 2.53 3.48 0.30 1.98 1.02 -1.21 -4.47 119.74 123.37 1pj6 s LYS 630 Ca 0.12 0.70 -0.29 0.00 0.02 0.00 0.00 55.97 56.52 1pj6 s LYS 630 Cb -0.15 -2.07 -0.13 0.00 -0.52 0.00 0.00 37.83 34.96 1pj6 s LYS 630 CO -0.19 -0.65 1.34 0.98 -0.92 0.00 0.00 175.35 175.92 1pj6 n TYR 631 N -2.79 2.26 -2.89 3.18 9.36 -1.26 -2.00 117.16 123.03 1pj6 n TYR 631 Ca 0.06 0.50 -0.22 0.00 3.32 0.00 0.00 57.90 61.56 1pj6 n TYR 631 Cb 0.55 -2.44 0.02 0.00 -0.63 0.00 0.00 39.34 36.84 1pj6 n TYR 631 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1pj6 n PHE 632 N 0.96 -1.72 -4.52 2.98 3.01 0.73 -4.99 117.46 113.91 1pj6 n PHE 632 Ca 0.07 0.38 -0.25 0.00 1.01 0.00 0.00 57.45 58.66 1pj6 n PHE 632 Cb 0.34 -4.15 -0.10 0.00 -0.01 0.00 0.00 39.48 35.56 1pj6 n PHE 632 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1pj6 s ARG 633 N -5.56 1.78 0.04 -1.08 1.81 -0.84 -1.39 118.95 113.70 1pj6 s ARG 633 Ca 0.23 -1.89 0.06 0.00 -1.72 0.00 0.00 55.73 52.41 1pj6 s ARG 633 Cb -0.11 -1.71 -0.02 0.00 -0.45 0.00 0.00 34.95 32.67 1pj6 s ARG 633 CO 0.29 0.19 -0.17 0.00 -0.68 0.00 0.00 175.30 174.92 1pj6 s ALA 634 N -2.60 1.41 0.14 2.13 0.00 0.54 -0.98 121.76 122.40 1pj6 s ALA 634 Ca 0.32 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1pj6 s ALA 634 Cb 0.01 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1pj6 s ALA 634 CO 0.16 0.29 0.37 -1.59 0.00 0.00 0.00 175.76 174.99 1pj6 s LYS 635 N -1.18 1.12 0.09 0.00 -2.85 -0.33 -4.53 119.74 112.06 1pj6 s LYS 635 Ca 0.04 -0.88 -0.25 0.00 -1.00 0.00 0.00 55.97 53.88 1pj6 s LYS 635 Cb -0.08 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 36.07 1pj6 s LYS 635 CO 0.02 -0.43 0.76 -0.80 0.10 0.00 0.00 175.35 175.00 1pj6 s ASN 636 N -2.86 7.27 0.26 0.03 0.01 -1.26 -1.03 114.94 117.35 1pj6 s ASN 636 Ca 0.08 1.51 0.02 0.00 -0.71 0.00 0.00 52.86 53.76 1pj6 s ASN 636 Cb 0.02 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1pj6 s ASN 636 CO -0.07 0.09 0.16 0.68 -1.51 0.00 0.00 177.10 176.45 1pj6 s VAL 637 N -0.47 0.16 -0.10 1.60 -7.23 -0.01 -4.96 120.40 109.39 1pj6 s VAL 637 Ca 0.37 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1pj6 s VAL 637 Cb -0.21 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1pj6 s VAL 637 CO 0.24 0.00 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.16 1pj6 s VAL 638 N -3.83 1.67 -0.11 1.32 1.01 -1.26 -0.90 120.40 118.31 1pj6 s VAL 638 Ca 0.38 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1pj6 s VAL 638 Cb 0.06 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1pj6 s VAL 638 CO 0.17 0.47 -0.10 -0.63 0.00 0.00 0.00 175.10 175.01 1pj6 s ILE 639 N 0.71 1.16 -1.78 2.22 1.01 -0.55 -4.41 121.20 119.56 1pj6 s ILE 639 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1pj6 s ILE 639 Cb -0.16 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1pj6 s ILE 639 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1pj6 n GLY 640 N 4.68 -0.05 1.52 6.18 0.00 0.08 -0.89 105.19 116.70 1pj6 n GLY 640 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1pj6 n GLY 640 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj6 n GLY 641 N -0.88 1.27 3.66 -0.02 0.00 -1.26 -4.86 105.19 103.10 1pj6 n GLY 641 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1pj6 n GLY 641 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pj6 s ILE 642 N -2.67 4.99 0.14 -0.61 -1.09 -0.07 -5.06 121.20 116.83 1pj6 s ILE 642 Ca 0.00 0.04 -0.31 0.00 -2.23 0.00 0.00 60.65 58.15 1pj6 s ILE 642 Cb 0.00 -3.26 -0.09 0.00 -1.58 0.00 0.00 42.46 37.52 1pj6 s ILE 642 CO 0.00 0.45 1.54 -2.84 -1.23 0.00 0.00 174.94 172.86 1pj6 s PRO 643 N 0.41 4.23 0.03 2.79 0.02 -1.26 -1.49 135.00 139.74 1pj6 s PRO 643 Ca 0.05 2.29 0.03 0.00 0.02 0.00 0.00 61.00 63.39 1pj6 s PRO 643 Cb -0.12 -3.24 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 1pj6 s PRO 643 CO -0.00 -0.59 -0.10 0.08 -0.33 0.00 0.00 177.00 176.05 1pj6 s VAL 644 N 1.37 0.79 -0.32 3.83 1.01 -0.08 -4.71 120.40 122.28 1pj6 s VAL 644 Ca 0.69 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 1pj6 s VAL 644 Cb -0.42 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1pj6 s VAL 644 CO 0.31 -0.10 0.26 -0.89 0.00 0.00 0.00 175.10 174.68 1pj6 s THR 645 N -0.88 5.26 -0.19 3.92 2.01 -0.16 -0.83 115.64 124.77 1pj6 s THR 645 Ca -0.02 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 1pj6 s THR 645 Cb -0.07 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1pj6 s THR 645 CO 0.01 0.04 0.08 0.00 -0.69 0.00 0.00 174.62 174.05 1pj6 s ALA 646 N 1.81 3.47 -0.11 7.40 0.00 -0.20 -1.00 121.76 133.13 1pj6 s ALA 646 Ca 0.08 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1pj6 s ALA 646 Cb -0.17 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 20.98 1pj6 s ALA 646 CO 0.11 0.18 -0.21 -1.64 0.00 0.00 0.00 175.76 174.20 1pj6 s MET 647 N 0.36 2.79 -0.77 0.00 -1.94 -0.04 -1.18 119.30 118.52 1pj6 s MET 647 Ca 0.04 -0.78 -0.19 0.00 -1.71 0.00 0.00 55.69 53.05 1pj6 s MET 647 Cb -0.12 -2.21 0.12 0.00 2.01 0.00 0.00 34.83 34.64 1pj6 s MET 647 CO -0.00 0.06 0.94 0.50 -0.01 0.00 0.00 175.02 176.50 1pj6 s ARG 648 N 0.64 3.35 0.22 2.03 3.52 -0.16 -0.96 118.95 127.59 1pj6 s ARG 648 Ca -0.12 -1.54 -0.23 0.00 -0.13 0.00 0.00 55.73 53.71 1pj6 s ARG 648 Cb -0.16 -4.55 0.04 0.00 -1.56 0.00 0.00 34.95 28.72 1pj6 s ARG 648 CO 0.03 -1.66 0.74 -0.48 -0.81 0.00 0.00 175.30 173.11 1pj6 s LEU 649 N 2.66 -0.33 -0.23 -0.88 2.34 -1.25 -0.19 118.68 120.80 1pj6 s LEU 649 Ca 0.23 -0.40 -0.05 0.00 0.06 0.00 0.00 54.13 53.97 1pj6 s LEU 649 Cb -0.13 2.57 0.12 0.00 -0.56 0.00 0.00 46.19 48.19 1pj6 s LEU 649 CO -0.01 -1.15 0.46 -0.55 -1.06 0.00 0.00 176.35 174.03 1pj6 s SER 650 N -2.86 -0.35 0.26 1.48 0.15 -1.26 -4.11 113.70 107.02 1pj6 s SER 650 Ca 0.08 0.83 0.23 0.00 0.70 0.00 0.00 55.95 57.79 1pj6 s SER 650 Cb -0.04 1.49 1.01 0.00 -1.71 0.00 0.00 66.02 66.77 1pj6 s SER 650 CO 0.01 -0.25 1.68 0.00 1.20 0.00 0.00 173.24 175.88 1pj6 n TYR 651 N 5.40 0.76 0.99 3.44 -0.00 -1.26 -1.88 117.16 124.61 1pj6 n TYR 651 Ca -0.07 0.32 0.12 0.00 -0.00 0.00 0.00 57.90 58.27 1pj6 n TYR 651 Cb 0.50 -1.02 0.08 0.00 -0.00 0.00 0.00 39.34 38.90 1pj6 n TYR 651 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1pj6 n VAL 652 N -2.22 0.00 -1.53 2.97 0.24 -1.26 -3.95 118.33 112.58 1pj6 n VAL 652 Ca 0.01 -0.46 -0.02 0.00 -2.04 0.00 0.00 64.34 61.83 1pj6 n VAL 652 Cb 0.18 1.45 -0.01 0.00 -1.47 0.00 0.00 33.84 33.99 1pj6 n VAL 652 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj6 n GLY 653 N 1.35 0.42 3.59 7.63 0.00 -0.79 -4.71 105.19 112.69 1pj6 n GLY 653 Ca 0.13 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1pj6 n GLY 653 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pj6 s GLU 654 N -3.11 1.91 0.57 1.61 0.41 -1.26 -4.59 118.70 114.23 1pj6 s GLU 654 Ca 0.00 -2.09 -0.20 0.00 -0.41 0.00 0.00 54.97 52.27 1pj6 s GLU 654 Cb 0.00 -1.42 -0.06 0.00 -1.78 0.00 0.00 34.13 30.87 1pj6 s GLU 654 CO 0.00 -0.12 1.02 -0.11 -0.49 0.00 0.00 175.26 175.56 1pj6 n LEU 655 N -0.93 3.74 0.00 1.80 7.94 -1.06 -4.63 117.00 123.86 1pj6 n LEU 655 Ca -0.06 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.71 1pj6 n LEU 655 Cb 0.67 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.21 1pj6 n LEU 655 CO 0.46 -1.64 0.00 0.61 -1.11 0.00 0.00 177.39 175.71 1pj6 n GLY 656 N 1.21 0.74 3.23 -3.96 0.00 -1.26 -0.68 105.19 104.46 1pj6 n GLY 656 Ca 0.13 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 1pj6 n GLY 656 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pj6 s TRP 657 N -1.45 -0.12 -0.11 1.61 0.51 -0.62 -3.78 118.94 114.98 1pj6 s TRP 657 Ca 0.00 0.09 -0.25 0.00 -2.12 0.00 0.00 56.10 53.82 1pj6 s TRP 657 Cb 0.00 0.08 -0.03 0.00 -0.81 0.00 0.00 33.47 32.71 1pj6 s TRP 657 CO 0.00 -0.43 0.79 -1.21 -0.51 0.00 0.00 176.95 175.59 1pj6 s GLU 658 N -1.91 4.39 -0.30 4.98 2.02 -0.14 -0.92 118.70 126.82 1pj6 s GLU 658 Ca -0.10 1.00 -0.01 0.00 0.02 0.00 0.00 54.97 55.89 1pj6 s GLU 658 Cb -0.03 -3.51 0.06 0.00 0.10 0.00 0.00 34.13 30.75 1pj6 s GLU 658 CO 0.01 -0.13 -0.01 -0.51 0.02 0.00 0.00 175.26 174.64 1pj6 s LEU 659 N 1.44 3.92 -0.12 1.80 1.43 0.48 -0.86 118.68 126.77 1pj6 s LEU 659 Ca 0.39 -1.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.05 1pj6 s LEU 659 Cb -0.18 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1pj6 s LEU 659 CO 0.17 -0.27 0.11 -0.31 0.23 0.00 0.00 176.35 176.29 1pj6 s TYR 660 N 1.20 3.51 0.29 0.29 1.51 -0.17 -1.27 117.35 122.71 1pj6 s TYR 660 Ca -0.05 0.46 -0.14 0.00 -1.01 0.00 0.00 57.07 56.34 1pj6 s TYR 660 Cb -0.20 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1pj6 s TYR 660 CO -0.02 0.67 0.59 -0.08 -1.11 0.00 0.00 175.55 175.60 1pj6 s THR 661 N -0.94 0.00 0.57 -0.71 -1.32 -0.84 -0.99 115.64 111.40 1pj6 s THR 661 Ca 0.14 -1.27 -0.19 0.00 -1.21 0.00 0.00 61.69 59.16 1pj6 s THR 661 Cb -0.12 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.50 1pj6 s THR 661 CO 0.03 0.00 1.17 -0.55 -2.21 0.00 0.00 174.62 173.07 1pj6 s SER 662 N -3.03 5.45 0.27 8.08 0.15 -1.26 -0.72 113.70 122.64 1pj6 s SER 662 Ca 0.20 2.30 -0.00 0.00 0.70 0.00 0.00 55.95 59.14 1pj6 s SER 662 Cb -0.03 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.20 1pj6 s SER 662 CO 0.10 -1.41 1.83 0.00 1.20 0.00 0.00 173.24 174.97 1pj6 h ALA 663 N 1.07 1.43 0.00 5.45 0.00 -1.47 -1.63 119.26 124.11 1pj6 h ALA 663 Ca -0.50 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pj6 h ALA 663 Cb 1.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pj6 h ALA 663 CO 0.56 0.22 -0.01 0.38 0.00 0.00 0.00 179.25 180.40 1pj6 h ASP 664 N 0.97 0.00 0.18 0.00 2.03 -1.92 -1.66 116.42 116.02 1pj6 h ASP 664 Ca 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 1pj6 h ASP 664 Cb 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 1pj6 h ASP 664 CO -0.25 0.01 -0.52 0.59 -1.03 0.00 0.00 179.24 178.04 1pj6 n ASN 665 N -3.57 1.16 -0.16 4.15 3.02 -0.62 -4.64 115.26 114.59 1pj6 n ASN 665 Ca -0.03 -0.93 -0.10 0.00 -0.03 0.00 0.00 54.58 53.49 1pj6 n ASN 665 Cb 0.10 0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1pj6 n ASN 665 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1pj6 h GLY 666 N 4.94 0.90 1.29 7.41 0.00 -1.17 -2.12 103.07 114.32 1pj6 h GLY 666 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 1pj6 h GLY 666 CO 0.00 0.61 0.04 -1.61 0.00 0.00 0.00 176.54 175.58 1pj6 h GLN 667 N 0.69 0.87 -0.43 4.80 4.15 -1.78 -0.01 115.11 123.41 1pj6 h GLN 667 Ca 0.13 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 1pj6 h GLN 667 Cb 0.51 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1pj6 h GLN 667 CO 0.02 0.84 0.05 -0.09 -1.93 0.00 0.00 178.83 177.73 1pj6 h ARG 668 N 0.82 0.72 -0.21 1.69 9.65 -1.81 0.30 114.38 125.55 1pj6 h ARG 668 Ca 0.16 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1pj6 h ARG 668 Cb 0.43 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 1pj6 h ARG 668 CO 0.02 0.77 0.03 1.25 2.80 0.00 0.00 179.97 184.83 1pj6 h LEU 669 N 0.57 -0.01 -0.15 3.80 5.85 -0.96 -0.42 115.31 123.99 1pj6 h LEU 669 Ca 0.13 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1pj6 h LEU 669 Cb 0.41 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1pj6 h LEU 669 CO 0.01 0.02 -0.24 -0.25 -0.34 0.00 0.00 178.44 177.64 1pj6 h TRP 670 N 0.11 -0.65 -0.54 1.25 2.91 -0.87 -1.81 115.95 116.34 1pj6 h TRP 670 Ca 0.09 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.09 1pj6 h TRP 670 Cb 0.10 0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 1pj6 h TRP 670 CO -0.15 -0.33 0.10 -0.44 -1.03 0.00 0.00 178.44 176.59 1pj6 h ASP 671 N -0.30 0.81 -0.24 2.65 3.32 -0.60 0.48 116.42 122.54 1pj6 h ASP 671 Ca 0.11 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1pj6 h ASP 671 Cb 0.46 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1pj6 h ASP 671 CO -0.32 0.81 0.05 0.00 -1.72 0.00 0.00 179.24 178.05 1pj6 h ALA 672 N 1.29 0.32 -0.67 3.45 0.00 -0.89 -1.63 119.26 121.13 1pj6 h ALA 672 Ca 0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1pj6 h ALA 672 Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1pj6 h ALA 672 CO 0.00 -0.01 0.09 -0.07 0.00 0.00 0.00 179.25 179.27 1pj6 h LEU 673 N 0.21 1.08 -0.17 0.00 3.38 -1.06 -1.98 115.31 116.77 1pj6 h LEU 673 Ca 0.07 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1pj6 h LEU 673 Cb 0.31 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1pj6 h LEU 673 CO 0.00 1.07 -0.09 -0.25 0.09 0.00 0.00 178.44 179.27 1pj6 h TRP 674 N 1.04 -0.21 -0.41 1.13 2.91 -0.80 -0.35 115.95 119.27 1pj6 h TRP 674 Ca 0.20 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 1pj6 h TRP 674 Cb 0.46 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.22 1pj6 h TRP 674 CO 0.03 -0.14 0.01 0.37 -1.03 0.00 0.00 178.44 177.69 1pj6 h GLN 675 N -0.07 0.71 -0.38 2.65 4.15 -1.20 -2.63 115.11 118.35 1pj6 h GLN 675 Ca 0.09 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.32 1pj6 h GLN 675 Cb 0.21 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1pj6 h GLN 675 CO -0.21 0.79 0.25 0.00 -1.93 0.00 0.00 178.83 177.72 1pj6 h ALA 676 N 0.90 1.82 0.00 3.38 0.00 -1.16 -2.59 119.26 121.60 1pj6 h ALA 676 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pj6 h ALA 676 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pj6 h ALA 676 CO 0.02 0.15 -0.08 0.41 0.00 0.00 0.00 179.25 179.75 1pj6 n GLY 677 N -1.49 -1.48 0.15 0.00 0.00 -0.16 -4.31 105.19 97.91 1pj6 n GLY 677 Ca 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 1pj6 n GLY 677 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pj6 h GLN 678 N 0.00 0.04 0.00 1.61 1.08 -1.32 -0.72 115.11 115.80 1pj6 h GLN 678 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pj6 h GLN 678 Cb 0.52 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1pj6 h GLN 678 CO 0.00 0.03 0.00 -1.00 -0.95 0.00 0.00 178.83 176.91 1pj6 h PRO 679 N 0.04 0.00 -0.15 1.46 0.13 -1.82 -1.95 132.00 129.71 1pj6 h PRO 679 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1pj6 h PRO 679 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1pj6 h PRO 679 CO -0.33 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.63 1pj6 n PHE 680 N -2.31 0.17 -2.26 1.56 3.01 -0.34 -4.98 117.46 112.31 1pj6 n PHE 680 Ca 0.01 -0.08 -0.07 0.00 1.01 0.00 0.00 57.45 58.32 1pj6 n PHE 680 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1pj6 n PHE 680 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pj6 n GLY 681 N 1.40 0.17 3.73 1.37 0.00 -0.73 -4.48 105.19 106.65 1pj6 n GLY 681 Ca 0.16 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1pj6 n GLY 681 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pj6 n VAL 682 N -3.87 2.98 -4.28 1.61 3.14 -0.80 -4.66 118.33 112.45 1pj6 n VAL 682 Ca -0.06 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.65 1pj6 n VAL 682 Cb 0.55 -1.66 -0.10 0.00 -1.06 0.00 0.00 33.84 31.57 1pj6 n VAL 682 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1pj6 s ILE 683 N -1.23 1.40 0.20 1.55 -4.36 -1.06 -4.91 121.20 112.78 1pj6 s ILE 683 Ca 0.64 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.74 1pj6 s ILE 683 Cb -0.46 -1.82 -0.08 0.00 1.25 0.00 0.00 42.46 41.35 1pj6 s ILE 683 CO 0.55 -0.60 0.90 0.00 0.24 0.00 0.00 174.94 176.03 1pj6 s ALA 684 N -2.86 3.35 0.01 2.27 0.00 -1.26 -0.50 121.76 122.77 1pj6 s ALA 684 Ca 0.16 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.70 1pj6 s ALA 684 Cb -0.01 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1pj6 s ALA 684 CO 0.03 0.19 -0.10 0.00 0.00 0.00 0.00 175.76 175.88 1pj6 s ALA 685 N -0.96 0.85 0.48 0.00 0.00 -0.64 -4.78 121.76 116.72 1pj6 s ALA 685 Ca 0.41 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1pj6 s ALA 685 Cb -0.25 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.77 1pj6 s ALA 685 CO 0.30 0.17 0.43 0.41 0.00 0.00 0.00 175.76 177.07 1pj6 n GLY 686 N 2.41 2.60 0.21 0.00 0.00 -1.26 -4.31 105.19 104.83 1pj6 n GLY 686 Ca -0.16 -2.27 0.06 0.00 0.00 0.00 0.00 46.02 43.65 1pj6 n GLY 686 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pj6 h ARG 687 N 0.00 0.00 -0.11 1.61 2.43 -0.91 -2.30 114.38 115.10 1pj6 h ARG 687 Ca -0.29 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1pj6 h ARG 687 Cb 1.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1pj6 h ARG 687 CO 0.44 0.30 0.03 0.00 -1.51 0.00 0.00 179.97 179.23 1pj6 h ALA 688 N 1.70 0.14 -0.68 2.80 0.00 -1.59 -0.04 119.26 121.59 1pj6 h ALA 688 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1pj6 h ALA 688 Cb 0.60 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1pj6 h ALA 688 CO 0.04 -0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.28 1pj6 h ALA 689 N 0.83 0.89 -0.36 0.00 0.00 -1.72 -2.45 119.26 116.45 1pj6 h ALA 689 Ca 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1pj6 h ALA 689 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1pj6 h ALA 689 CO -0.00 0.54 0.16 0.35 0.00 0.00 0.00 179.25 180.30 1pj6 h PHE 690 N 0.98 0.30 -0.50 0.00 3.57 -1.18 -0.02 116.94 120.08 1pj6 h PHE 690 Ca 0.22 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1pj6 h PHE 690 Cb 0.27 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1pj6 h PHE 690 CO 0.02 0.15 0.02 0.77 -2.23 0.00 0.00 178.31 177.04 1pj6 h SER 691 N 0.34 0.80 -0.21 0.41 0.02 -0.85 -1.10 113.55 112.96 1pj6 h SER 691 Ca 0.16 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1pj6 h SER 691 Cb 0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1pj6 h SER 691 CO -0.12 0.85 0.03 -1.28 -1.14 0.00 0.00 176.83 175.17 1pj6 h SER 692 N 0.78 0.34 -0.39 3.07 0.87 -0.95 -2.33 113.55 114.94 1pj6 h SER 692 Ca 0.15 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 1pj6 h SER 692 Cb 0.45 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1pj6 h SER 692 CO 0.02 0.51 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.69 1pj6 h LEU 693 N 0.15 0.80 -0.72 2.23 3.38 -0.74 -1.40 115.31 119.00 1pj6 h LEU 693 Ca 0.06 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 1pj6 h LEU 693 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1pj6 h LEU 693 CO 0.00 0.91 -0.55 0.08 0.09 0.00 0.00 178.44 178.98 1pj6 h ARG 694 N 0.75 0.26 -0.50 1.13 -0.00 -1.19 -2.20 114.38 112.63 1pj6 h ARG 694 Ca 0.13 -0.16 -0.12 0.00 -0.00 0.00 0.00 59.98 59.84 1pj6 h ARG 694 Cb 0.56 0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.53 1pj6 h ARG 694 CO 0.03 0.74 -0.14 -0.07 -0.00 0.00 0.00 179.97 180.53 1pj6 h LEU 695 N 0.20 0.96 -2.26 0.08 3.38 -1.04 -2.02 115.31 114.61 1pj6 h LEU 695 Ca 0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1pj6 h LEU 695 Cb 1.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1pj6 h LEU 695 CO 0.09 1.10 -0.05 -0.33 0.09 0.00 0.00 178.44 179.33 1pj6 h GLU 696 N 0.85 0.00 -0.00 1.13 5.08 -0.90 -1.28 114.58 119.45 1pj6 h GLU 696 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1pj6 h GLU 696 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1pj6 h GLU 696 CO 0.05 0.05 -0.33 1.63 -1.00 0.00 0.00 179.01 179.41 1pj6 n LYS 697 N -3.71 0.17 -1.40 2.33 4.76 -0.82 -1.29 118.16 118.20 1pj6 n LYS 697 Ca -0.02 -0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.25 1pj6 n LYS 697 Cb 0.15 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1pj6 n LYS 697 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pj6 n GLY 698 N 1.46 0.88 3.70 0.72 0.00 -0.48 -4.47 105.19 106.99 1pj6 n GLY 698 Ca 0.07 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1pj6 n GLY 698 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pj6 s TYR 699 N -2.34 3.58 0.37 1.61 4.12 -0.87 -5.00 117.35 118.82 1pj6 s TYR 699 Ca 0.00 1.57 -0.24 0.00 0.02 0.00 0.00 57.07 58.43 1pj6 s TYR 699 Cb 0.00 -3.09 -0.10 0.00 -1.52 0.00 0.00 41.96 37.24 1pj6 s TYR 699 CO 0.00 -0.08 0.95 1.03 0.02 0.00 0.00 175.55 177.47 1pj6 s ARG 700 N 1.39 4.42 -0.30 -0.62 3.00 -1.26 -4.69 118.95 120.90 1pj6 s ARG 700 Ca 0.48 1.25 -0.06 0.00 0.00 0.00 0.00 55.73 57.40 1pj6 s ARG 700 Cb -0.19 -2.53 0.02 0.00 0.00 0.00 0.00 34.95 32.25 1pj6 s ARG 700 CO 0.22 0.14 0.06 -1.54 0.00 0.00 0.00 175.30 174.18 1pj6 s SER 701 N -1.85 5.03 0.32 0.23 1.04 -1.26 -5.03 113.70 112.18 1pj6 s SER 701 Ca 0.55 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.84 1pj6 s SER 701 Cb -0.15 -1.84 -0.11 0.00 0.10 0.00 0.00 66.02 64.02 1pj6 s SER 701 CO 0.19 -0.21 1.55 1.87 0.98 0.00 0.00 173.24 177.62 1pj6 n TRP 702 N 4.81 2.89 0.00 5.02 -0.00 -1.26 -1.70 117.44 127.20 1pj6 n TRP 702 Ca -0.14 0.33 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 1pj6 n TRP 702 Cb 0.47 -2.57 0.00 0.00 -0.00 0.00 0.00 31.31 29.21 1pj6 n TRP 702 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1pj6 n GLY 703 N 1.53 3.10 1.30 5.87 0.00 0.46 -4.80 105.19 112.66 1pj6 n GLY 703 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1pj6 n GLY 703 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pj6 n THR 704 N -1.38 0.87 0.21 2.61 -2.24 -1.09 -4.84 114.28 108.42 1pj6 n THR 704 Ca 0.00 0.29 0.08 0.00 -2.27 0.00 0.00 64.05 62.14 1pj6 n THR 704 Cb 0.00 -1.29 0.46 0.00 -2.10 0.00 0.00 70.33 67.40 1pj6 n THR 704 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1pj6 h ASP 705 N 0.00 0.00 -4.52 3.42 3.32 -1.60 -3.44 116.42 113.61 1pj6 h ASP 705 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1pj6 h ASP 705 Cb 0.03 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.37 1pj6 h ASP 705 CO 0.00 0.28 -0.11 0.00 -1.72 0.00 0.00 179.24 177.70 1pj6 s MET 706 N -3.88 0.72 0.00 3.56 0.23 -1.25 -4.95 119.30 113.73 1pj6 s MET 706 Ca -0.01 0.30 0.00 0.00 -1.03 0.00 0.00 55.69 54.95 1pj6 s MET 706 Cb 0.12 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.76 1pj6 s MET 706 CO 0.66 -0.17 0.00 0.25 -2.03 0.00 0.00 175.02 173.73 1pj6 n THR 707 N 1.87 0.00 0.54 3.16 -2.24 -1.26 -0.40 114.28 115.94 1pj6 n THR 707 Ca -0.17 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1pj6 n THR 707 Cb 0.56 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 69.10 1pj6 n THR 707 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pj6 n THR 708 N 0.00 0.87 0.71 4.28 -2.24 -1.05 -1.34 114.28 115.51 1pj6 n THR 708 Ca 0.00 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 1pj6 n THR 708 Cb 0.00 -1.00 0.48 0.00 -2.10 0.00 0.00 70.33 67.71 1pj6 n THR 708 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pj6 n GLU 709 N -1.39 0.09 -4.73 -0.78 1.02 -1.26 -4.21 120.64 109.38 1pj6 n GLU 709 Ca 0.05 0.17 -0.32 0.00 -0.02 0.00 0.00 57.16 57.04 1pj6 n GLU 709 Cb 0.13 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.79 1pj6 n GLU 709 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pj6 s HIS 710 N -3.07 2.65 0.57 -0.32 3.76 -0.45 -5.01 115.29 113.42 1pj6 s HIS 710 Ca 0.10 -0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 54.80 1pj6 s HIS 710 Cb 0.14 -1.54 0.03 0.00 1.11 0.00 0.00 32.58 32.32 1pj6 s HIS 710 CO 0.46 0.24 0.81 0.16 -0.85 0.00 0.00 174.74 175.57 1pj6 s ASP 711 N -1.17 5.31 0.46 1.40 1.47 -1.26 -1.40 116.67 121.48 1pj6 s ASP 711 Ca 0.14 0.19 0.11 0.00 1.18 0.00 0.00 52.55 54.17 1pj6 s ASP 711 Cb -0.11 -1.11 1.03 0.00 -0.34 0.00 0.00 42.92 42.40 1pj6 s ASP 711 CO 0.04 -1.15 2.09 -0.65 0.68 0.00 0.00 175.17 176.18 1pj6 h PRO 712 N -0.02 0.31 -0.14 2.11 0.11 -1.92 -2.26 132.00 130.18 1pj6 h PRO 712 Ca -0.44 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 1pj6 h PRO 712 Cb 1.29 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1pj6 h PRO 712 CO 0.55 0.21 -0.76 0.74 -0.21 0.00 0.00 178.00 178.53 1pj6 h PHE 713 N 0.32 1.03 -0.95 0.65 -1.00 -1.91 0.16 116.94 115.24 1pj6 h PHE 713 Ca 0.08 -0.46 0.04 0.00 2.81 0.00 0.00 57.97 60.44 1pj6 h PHE 713 Cb -0.02 -0.16 -0.05 0.00 3.61 0.00 0.00 35.95 39.33 1pj6 h PHE 713 CO 0.00 1.29 0.62 0.93 -1.61 0.00 0.00 178.31 179.54 1pj6 h GLU 714 N 0.48 1.16 0.00 1.51 5.08 -1.73 -2.23 114.58 118.85 1pj6 h GLU 714 Ca -0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1pj6 h GLU 714 Cb 1.39 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1pj6 h GLU 714 CO 0.16 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.94 1pj6 n ALA 715 N -2.39 2.31 -1.65 3.43 0.00 -0.87 -0.88 120.51 120.46 1pj6 n ALA 715 Ca 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pj6 n ALA 715 Cb 0.10 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 1pj6 n ALA 715 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj6 n GLY 716 N 0.89 0.45 0.73 0.00 0.00 -0.84 -4.73 105.19 101.68 1pj6 n GLY 716 Ca 0.13 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.44 1pj6 n GLY 716 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj6 n LEU 717 N -0.66 3.38 -0.26 0.99 4.77 0.53 -4.72 117.00 121.02 1pj6 n LEU 717 Ca -0.06 -3.43 0.13 0.00 -0.03 0.00 0.00 56.01 52.62 1pj6 n LEU 717 Cb 0.37 -0.54 0.39 0.00 -2.33 0.00 0.00 43.42 41.31 1pj6 n LEU 717 CO 0.07 1.00 1.22 1.23 -1.33 0.00 0.00 177.39 179.58 1pj6 h GLY 718 N 0.96 1.17 1.46 -0.72 0.00 -1.85 -0.91 103.07 103.18 1pj6 h GLY 718 Ca 0.07 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.16 1pj6 h GLY 718 CO 0.18 0.08 0.23 0.27 0.00 0.00 0.00 176.54 177.30 1pj6 h PHE 719 N 0.65 0.00 -0.03 5.60 -5.15 -1.93 -1.41 116.94 114.68 1pj6 h PHE 719 Ca 0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.22 1pj6 h PHE 719 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 1pj6 h PHE 719 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1pj6 n ALA 720 N -2.20 2.55 -3.45 12.09 0.00 -0.34 -4.79 120.51 124.36 1pj6 n ALA 720 Ca 0.01 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.61 1pj6 n ALA 720 Cb 0.33 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 1pj6 n ALA 720 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pj6 s VAL 721 N -1.98 3.45 -0.92 0.00 1.01 -0.53 -4.36 120.40 117.07 1pj6 s VAL 721 Ca 0.36 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 1pj6 s VAL 721 Cb 0.21 -2.64 0.17 0.00 0.00 0.00 0.00 36.38 34.12 1pj6 s VAL 721 CO 0.32 0.32 1.02 -0.75 0.00 0.00 0.00 175.10 176.02 1pj6 s LYS 722 N 1.47 3.67 0.57 2.72 2.20 -0.12 -4.88 119.74 125.37 1pj6 s LYS 722 Ca 0.04 -2.15 0.37 0.00 -0.36 0.00 0.00 55.97 53.88 1pj6 s LYS 722 Cb -0.15 -4.73 1.82 0.00 -1.51 0.00 0.00 37.83 33.26 1pj6 s LYS 722 CO -0.02 -1.57 2.12 0.52 -0.36 0.00 0.00 175.35 176.04 1pj6 h MET 723 N 8.22 0.00 0.00 4.03 2.86 -1.94 -1.37 114.93 126.72 1pj6 h MET 723 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1pj6 h MET 723 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1pj6 h MET 723 CO 0.98 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.95 1pj6 h ALA 724 N 2.02 1.00 -2.59 6.32 0.00 -1.97 -3.46 119.26 120.57 1pj6 h ALA 724 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1pj6 h ALA 724 Cb 0.23 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.15 1pj6 h ALA 724 CO 0.00 0.00 0.32 1.63 0.00 0.00 0.00 179.25 181.20 1pj6 n LYS 725 N -2.32 1.57 -0.28 0.00 5.02 -0.52 -4.90 118.16 116.72 1pj6 n LYS 725 Ca 0.03 0.56 -0.05 0.00 -2.02 0.00 0.00 58.31 56.83 1pj6 n LYS 725 Cb 0.27 -2.22 0.07 0.00 -0.02 0.00 0.00 35.03 33.13 1pj6 n LYS 725 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1pj6 h GLU 726 N 1.68 1.05 -2.64 1.97 -0.00 -1.90 -3.45 114.58 111.30 1pj6 h GLU 726 Ca -0.46 -0.10 -0.11 0.00 -0.00 0.00 0.00 59.36 58.69 1pj6 h GLU 726 Cb 1.32 -0.22 -0.24 0.00 -0.00 0.00 0.00 28.75 29.61 1pj6 h GLU 726 CO 0.58 0.74 -0.18 0.45 -0.00 0.00 0.00 179.01 180.59 1pj6 s SER 727 N -6.01 -0.48 -0.09 3.06 0.15 -1.26 -5.12 113.70 103.96 1pj6 s SER 727 Ca -0.13 0.92 -0.30 0.00 0.70 0.00 0.00 55.95 57.13 1pj6 s SER 727 Cb 0.15 0.93 0.12 0.00 -1.71 0.00 0.00 66.02 65.51 1pj6 s SER 727 CO 0.79 -0.16 0.99 0.72 1.20 0.00 0.00 173.24 176.78 1pj6 s PHE 728 N 0.26 -0.31 0.14 3.44 -0.12 -1.26 -4.72 117.98 115.42 1pj6 s PHE 728 Ca -0.00 0.30 -0.31 0.00 -0.05 0.00 0.00 56.93 56.86 1pj6 s PHE 728 Cb -0.03 0.51 -0.11 0.00 -0.63 0.00 0.00 43.02 42.76 1pj6 s PHE 728 CO 0.00 -0.42 1.76 0.42 -0.05 0.00 0.00 175.22 176.94 1pj6 s ILE 729 N -2.41 2.46 0.00 -4.49 1.01 -0.62 -1.51 121.20 115.64 1pj6 s ILE 729 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1pj6 s ILE 729 Cb -0.01 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1pj6 s ILE 729 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1pj6 n GLY 730 N 4.11 0.68 0.12 6.18 0.00 -1.22 -4.41 105.19 110.64 1pj6 n GLY 730 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1pj6 n GLY 730 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pj6 h LYS 731 N 3.56 0.24 -1.00 1.61 3.64 -1.60 -2.53 116.57 120.50 1pj6 h LYS 731 Ca 0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1pj6 h LYS 731 Cb 0.00 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1pj6 h LYS 731 CO 0.00 0.16 0.66 0.78 -2.27 0.00 0.00 179.45 178.78 1pj6 h GLY 732 N 0.25 1.44 1.75 5.01 0.00 -1.90 -1.95 103.07 107.67 1pj6 h GLY 732 Ca 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1pj6 h GLY 732 CO -0.06 0.48 0.06 0.00 0.00 0.00 0.00 176.54 177.01 1pj6 h ALA 733 N 1.39 1.67 -0.01 3.60 0.00 -1.68 -2.85 119.26 121.38 1pj6 h ALA 733 Ca 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1pj6 h ALA 733 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1pj6 h ALA 733 CO -0.10 0.26 -0.05 1.28 0.00 0.00 0.00 179.25 180.63 1pj6 n LEU 734 N -4.40 0.91 -4.71 0.00 4.77 -0.74 -4.92 117.00 107.91 1pj6 n LEU 734 Ca 0.00 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.29 1pj6 n LEU 734 Cb 0.15 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1pj6 n LEU 734 CO 0.36 0.16 1.24 -0.62 -1.33 0.00 0.00 177.39 177.19 1pj6 n GLU 735 N -0.41 2.48 -0.12 3.23 1.02 -1.08 -1.76 120.64 124.00 1pj6 n GLU 735 Ca 0.18 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.21 1pj6 n GLU 735 Cb 0.28 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 1pj6 n GLU 735 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pj6 n GLY 736 N 3.07 2.60 3.81 0.62 0.00 -1.26 -5.01 105.19 109.01 1pj6 n GLY 736 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1pj6 n GLY 736 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj6 s ARG 737 N -0.06 4.30 0.07 1.61 0.52 -0.72 -5.07 118.95 119.60 1pj6 s ARG 737 Ca 0.00 1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 56.27 1pj6 s ARG 737 Cb 0.00 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 1pj6 s ARG 737 CO 0.00 0.15 0.00 0.95 0.02 0.00 0.00 175.30 176.42 1pj6 s THR 738 N -1.90 0.19 0.11 0.02 -4.23 -1.26 -5.05 115.64 103.52 1pj6 s THR 738 Ca 0.55 -1.81 -0.18 0.00 -1.18 0.00 0.00 61.69 59.07 1pj6 s THR 738 Cb -0.13 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1pj6 s THR 738 CO 0.18 -0.84 1.65 -0.33 -0.54 0.00 0.00 174.62 174.74 1pj6 h GLU 739 N 3.06 0.43 -0.10 3.99 5.08 -1.97 -2.83 114.58 122.24 1pj6 h GLU 739 Ca -0.34 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1pj6 h GLU 739 Cb 1.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1pj6 h GLU 739 CO 0.64 0.45 -0.07 0.93 -1.00 0.00 0.00 179.01 179.96 1pj6 h GLU 740 N 0.31 0.14 -0.05 2.33 3.07 -1.97 -2.34 114.58 116.07 1pj6 h GLU 740 Ca 0.10 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1pj6 h GLU 740 Cb 0.18 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1pj6 h GLU 740 CO -0.01 0.22 0.00 0.00 -1.40 0.00 0.00 179.01 177.82 1pj6 n ALA 741 N -2.51 2.51 -2.07 3.43 0.00 -1.21 -4.95 120.51 115.72 1pj6 n ALA 741 Ca -0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 1pj6 n ALA 741 Cb 0.19 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1pj6 n ALA 741 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pj6 s SER 742 N -1.96 6.73 0.45 0.00 0.01 -0.88 -4.91 113.70 113.14 1pj6 s SER 742 Ca 0.33 2.45 0.20 0.00 1.31 0.00 0.00 55.95 60.24 1pj6 s SER 742 Cb 0.20 -2.59 1.07 0.00 0.21 0.00 0.00 66.02 64.91 1pj6 s SER 742 CO 0.31 -0.71 1.95 0.00 0.41 0.00 0.00 173.24 175.20 1pj6 h ALA 743 N 6.68 1.36 -4.19 1.44 0.00 -1.92 -3.39 119.26 119.24 1pj6 h ALA 743 Ca -0.43 -0.21 -0.49 0.00 0.00 0.00 0.00 54.91 53.78 1pj6 h ALA 743 Cb 1.21 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 1pj6 h ALA 743 CO 0.88 0.29 -0.82 1.03 0.00 0.00 0.00 179.25 180.63 1pj6 s ARG 744 N -4.21 1.20 -0.00 0.00 1.81 -1.26 -0.46 118.95 116.03 1pj6 s ARG 744 Ca -0.03 -0.52 0.01 0.00 -1.72 0.00 0.00 55.73 53.47 1pj6 s ARG 744 Cb 0.14 -1.15 0.00 0.00 -0.45 0.00 0.00 34.95 33.48 1pj6 s ARG 744 CO 0.66 0.30 -0.02 1.03 -0.68 0.00 0.00 175.30 176.59 1pj6 s ARG 745 N -0.30 0.15 -0.01 3.54 0.52 -0.22 -4.48 118.95 118.13 1pj6 s ARG 745 Ca 0.05 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 1pj6 s ARG 745 Cb -0.06 -0.15 -0.05 0.00 0.52 0.00 0.00 34.95 35.21 1pj6 s ARG 745 CO -0.00 0.03 1.36 -1.17 0.02 0.00 0.00 175.30 175.54 1pj6 s LEU 746 N 0.01 4.31 0.08 2.53 2.96 -0.06 -1.17 118.68 127.34 1pj6 s LEU 746 Ca 0.00 2.05 0.08 0.00 -0.22 0.00 0.00 54.13 56.04 1pj6 s LEU 746 Cb -0.01 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1pj6 s LEU 746 CO -0.00 -0.70 -0.21 -0.13 -1.32 0.00 0.00 176.35 173.99 1pj6 s ARG 747 N 2.39 1.23 -0.10 1.98 1.81 0.32 -4.84 118.95 121.75 1pj6 s ARG 747 Ca 0.62 -1.09 -0.20 0.00 -1.72 0.00 0.00 55.73 53.34 1pj6 s ARG 747 Cb -0.30 -1.45 -0.04 0.00 -0.45 0.00 0.00 34.95 32.71 1pj6 s ARG 747 CO 0.25 0.35 0.56 0.00 -0.68 0.00 0.00 175.30 175.79 1pj6 s LEU 749 N 0.68 2.27 -0.05 0.00 1.43 0.14 -0.36 118.68 122.80 1pj6 s LEU 749 Ca 0.30 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1pj6 s LEU 749 Cb -0.16 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1pj6 s LEU 749 CO 0.13 0.26 -0.15 0.42 0.23 0.00 0.00 176.35 177.24 1pj6 s THR 750 N -0.25 2.96 -0.18 5.49 -4.23 -0.65 -1.21 115.64 117.58 1pj6 s THR 750 Ca -0.01 -0.76 -0.25 0.00 -1.18 0.00 0.00 61.69 59.49 1pj6 s THR 750 Cb -0.13 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1pj6 s THR 750 CO 0.03 0.59 0.82 -0.63 -0.54 0.00 0.00 174.62 174.89 1pj6 s ILE 751 N -0.72 4.88 0.27 2.99 1.09 -0.47 -0.93 121.20 128.31 1pj6 s ILE 751 Ca 0.11 1.61 -0.03 0.00 -1.10 0.00 0.00 60.65 61.25 1pj6 s ILE 751 Cb -0.11 -4.13 0.17 0.00 -1.06 0.00 0.00 42.46 37.34 1pj6 s ILE 751 CO 0.00 0.02 1.84 0.44 -0.10 0.00 0.00 174.94 177.14 1pj6 h ASP 752 N 7.37 0.86 0.15 3.58 3.32 -1.56 -2.49 116.42 127.65 1pj6 h ASP 752 Ca -0.29 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1pj6 h ASP 752 Cb 1.13 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1pj6 h ASP 752 CO 0.84 0.79 0.00 -0.90 -1.72 0.00 0.00 179.24 178.25 1pj6 n ASP 753 N -4.29 0.00 0.00 6.45 5.68 -1.26 -4.89 116.55 118.24 1pj6 n ASP 753 Ca 0.05 -0.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 1pj6 n ASP 753 Cb 0.19 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1pj6 n ASP 753 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj6 n GLY 754 N 0.86 0.45 0.00 6.12 0.00 -0.94 -4.73 105.19 106.95 1pj6 n GLY 754 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1pj6 n GLY 754 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pj6 n ARG 755 N -1.68 2.14 -2.61 1.61 1.85 -1.26 -4.45 116.66 112.26 1pj6 n ARG 755 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1pj6 n ARG 755 Cb 0.10 -0.48 -0.03 0.00 -1.05 0.00 0.00 32.46 31.00 1pj6 n ARG 755 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1pj6 s SER 756 N -0.62 6.52 0.19 2.89 0.01 -1.26 -4.96 113.70 116.46 1pj6 s SER 756 Ca 0.00 -1.53 -0.30 0.00 1.31 0.00 0.00 55.95 55.43 1pj6 s SER 756 Cb 0.00 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 1pj6 s SER 756 CO 0.00 -1.45 1.20 -0.63 0.41 0.00 0.00 173.24 172.77 1pj6 s ILE 757 N 4.68 3.56 0.32 1.44 1.01 -1.26 -4.88 121.20 126.06 1pj6 s ILE 757 Ca 0.44 1.31 0.08 0.00 0.00 0.00 0.00 60.65 62.48 1pj6 s ILE 757 Cb -0.01 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1pj6 s ILE 757 CO -0.10 0.21 0.17 0.68 0.00 0.00 0.00 174.94 175.90 1pj6 s VAL 758 N -0.05 3.39 -0.00 2.92 -7.23 -1.26 -4.94 120.40 113.23 1pj6 s VAL 758 Ca 0.53 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1pj6 s VAL 758 Cb -0.33 -3.07 -0.01 0.00 0.56 0.00 0.00 36.38 33.54 1pj6 s VAL 758 CO 0.37 -0.22 0.01 0.18 -0.31 0.00 0.00 175.10 175.12 1pj6 n LEU 759 N -1.18 0.00 0.00 1.32 4.77 -1.26 -4.45 117.00 116.20 1pj6 n LEU 759 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1pj6 n LEU 759 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1pj6 n LEU 759 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1pj6 n GLY 760 N 2.61 4.45 3.17 -0.72 0.00 -1.26 -4.52 105.19 108.93 1pj6 n GLY 760 Ca -0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1pj6 n GLY 760 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pj6 n LYS 761 N -1.40 0.00 -1.85 1.61 5.02 0.31 -4.94 118.16 116.92 1pj6 n LYS 761 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1pj6 n LYS 761 Cb 0.00 -2.04 -0.01 0.00 -0.02 0.00 0.00 35.03 32.96 1pj6 n LYS 761 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pj6 s GLU 762 N -0.03 4.15 0.48 1.97 8.01 -1.26 -4.53 118.70 127.49 1pj6 s GLU 762 Ca 0.00 2.51 -0.21 0.00 0.01 0.00 0.00 54.97 57.28 1pj6 s GLU 762 Cb 0.00 -3.01 -0.08 0.00 -4.31 0.00 0.00 34.13 26.74 1pj6 s GLU 762 CO 0.00 -0.51 1.08 -1.25 0.01 0.00 0.00 175.26 174.59 1pj6 s PRO 763 N -1.51 3.76 -0.12 0.39 0.04 -1.26 -0.52 135.00 135.79 1pj6 s PRO 763 Ca 0.56 1.51 0.02 0.00 0.04 0.00 0.00 61.00 63.12 1pj6 s PRO 763 Cb -0.46 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1pj6 s PRO 763 CO 0.56 -0.49 -0.19 0.08 0.04 0.00 0.00 177.00 177.01 1pj6 s VAL 764 N -1.81 2.54 -0.05 -0.36 1.01 -0.39 -1.29 120.40 120.05 1pj6 s VAL 764 Ca 0.66 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1pj6 s VAL 764 Cb -0.21 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1pj6 s VAL 764 CO 0.25 0.54 -0.17 -0.36 0.00 0.00 0.00 175.10 175.37 1pj6 s PHE 765 N 0.36 2.63 -0.09 5.22 0.40 0.68 -0.54 117.98 126.64 1pj6 s PHE 765 Ca -0.15 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1pj6 s PHE 765 Cb -0.17 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.76 1pj6 s PHE 765 CO 0.07 0.13 -0.15 -0.47 0.70 0.00 0.00 175.22 175.50 1pj6 s TYR 766 N -0.68 1.87 -1.44 0.36 5.04 -0.12 -1.46 117.35 120.93 1pj6 s TYR 766 Ca 0.10 -0.82 -0.01 0.00 -2.44 0.00 0.00 57.07 53.90 1pj6 s TYR 766 Cb -0.11 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.86 1pj6 s TYR 766 CO 0.00 -0.41 0.30 1.63 -1.34 0.00 0.00 175.55 175.73 1pj6 n LYS 767 N 4.04 -2.41 -1.02 4.97 5.02 -1.26 -1.07 118.16 126.43 1pj6 n LYS 767 Ca -0.20 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.38 1pj6 n LYS 767 Cb 0.52 -4.17 -0.00 0.00 -0.02 0.00 0.00 35.03 31.36 1pj6 n LYS 767 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pj6 n GLU 768 N -4.47 -1.58 -4.32 1.97 -0.58 -1.26 -5.00 120.64 105.39 1pj6 n GLU 768 Ca -0.31 0.43 -0.34 0.00 -0.42 0.00 0.00 57.16 56.52 1pj6 n GLU 768 Cb 0.69 -4.63 -0.10 0.00 -0.57 0.00 0.00 31.44 26.82 1pj6 n GLU 768 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1pj6 s GLN 769 N -1.68 3.38 -0.04 3.49 0.74 -0.23 -5.05 119.66 120.27 1pj6 s GLN 769 Ca 0.00 -0.43 -0.30 0.00 0.05 0.00 0.00 55.36 54.68 1pj6 s GLN 769 Cb 0.00 -2.90 -0.06 0.00 1.10 0.00 0.00 33.01 31.15 1pj6 s GLN 769 CO 0.00 0.48 1.61 0.00 -0.55 0.00 0.00 175.29 176.83 1pj6 s ALA 770 N -0.27 3.62 0.00 1.58 0.00 -1.26 -0.94 121.76 124.49 1pj6 s ALA 770 Ca 0.06 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1pj6 s ALA 770 Cb -0.12 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1pj6 s ALA 770 CO 0.02 -1.30 0.15 1.33 0.00 0.00 0.00 175.76 175.96 1pj6 n VAL 771 N 5.30 0.00 -3.29 0.00 0.24 0.30 -4.93 118.33 115.94 1pj6 n VAL 771 Ca 0.16 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1pj6 n VAL 771 Cb 0.43 1.41 0.00 0.00 -1.47 0.00 0.00 33.84 34.21 1pj6 n VAL 771 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj6 n GLY 772 N 0.12 1.40 3.49 7.63 0.00 -0.97 -4.45 105.19 112.40 1pj6 n GLY 772 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 1pj6 n GLY 772 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pj6 s TYR 773 N -5.49 -0.62 0.01 1.61 -0.85 -1.26 -1.26 117.35 109.48 1pj6 s TYR 773 Ca 0.00 0.95 -0.30 0.00 -0.52 0.00 0.00 57.07 57.19 1pj6 s TYR 773 Cb 0.00 0.42 -0.06 0.00 0.38 0.00 0.00 41.96 42.70 1pj6 s TYR 773 CO 0.00 -0.65 1.50 0.08 -1.52 0.00 0.00 175.55 174.97 1pj6 s VAL 774 N -1.67 3.52 -0.15 -3.49 1.01 0.32 -4.28 120.40 115.67 1pj6 s VAL 774 Ca -0.09 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1pj6 s VAL 774 Cb -0.00 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 1pj6 s VAL 774 CO 0.06 -0.01 0.01 0.71 0.00 0.00 0.00 175.10 175.86 1pj6 h THR 775 N 4.99 0.35 -3.68 3.92 1.35 -1.09 0.91 112.91 119.66 1pj6 h THR 775 Ca -0.39 -1.38 -0.42 0.00 -0.55 0.00 0.00 66.41 63.67 1pj6 h THR 775 Cb 1.18 0.77 -0.19 0.00 -1.73 0.00 0.00 68.15 68.18 1pj6 h THR 775 CO 0.92 0.12 -0.77 -0.44 -0.25 0.00 0.00 175.52 175.10 1pj6 s SER 776 N -6.00 1.95 0.09 5.36 0.01 -1.26 -4.67 113.70 109.18 1pj6 s SER 776 Ca -0.16 -0.76 -0.25 0.00 1.31 0.00 0.00 55.95 56.09 1pj6 s SER 776 Cb 0.02 -0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.25 1pj6 s SER 776 CO 0.30 -0.12 0.61 0.00 0.41 0.00 0.00 173.24 174.45 1pj6 s ALA 777 N -1.91 -1.62 -0.06 1.44 0.00 -1.26 -1.17 121.76 117.18 1pj6 s ALA 777 Ca 0.06 0.73 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 1pj6 s ALA 777 Cb -0.06 0.59 0.11 0.00 0.00 0.00 0.00 23.12 23.76 1pj6 s ALA 777 CO 0.03 -0.63 0.98 0.00 0.00 0.00 0.00 175.76 176.14 1pj6 s ALA 778 N -2.90 -1.90 0.03 0.00 0.00 -0.77 -4.95 121.76 111.28 1pj6 s ALA 778 Ca -0.03 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 1pj6 s ALA 778 Cb -0.01 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1pj6 s ALA 778 CO -0.05 -0.66 1.10 -0.47 0.00 0.00 0.00 175.76 175.68 1pj6 s TYR 779 N -2.91 3.53 -0.50 0.00 5.04 -1.26 -0.76 117.35 120.49 1pj6 s TYR 779 Ca 0.06 1.47 -0.23 0.00 -2.44 0.00 0.00 57.07 55.94 1pj6 s TYR 779 Cb -0.01 -3.29 0.04 0.00 0.35 0.00 0.00 41.96 39.05 1pj6 s TYR 779 CO -0.08 -0.73 0.81 0.20 -1.34 0.00 0.00 175.55 174.41 1pj6 s GLY 780 N 1.04 1.56 0.32 8.97 0.00 0.39 -4.75 107.32 114.85 1pj6 s GLY 780 Ca 0.56 -1.26 0.13 0.00 0.00 0.00 0.00 44.72 44.15 1pj6 s GLY 780 CO 0.29 1.81 1.68 -0.97 0.00 0.00 0.00 173.10 175.91 1pj6 h TYR 781 N 9.11 0.00 -0.00 1.90 -1.99 -1.89 0.93 116.97 125.03 1pj6 h TYR 781 Ca -0.26 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.27 1pj6 h TYR 781 Cb 1.08 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.83 1pj6 h TYR 781 CO 0.83 0.51 -0.79 1.15 -0.00 0.00 0.00 178.16 179.86 1pj6 h THR 782 N 0.00 1.36 -0.00 -2.88 2.02 -1.95 -3.26 112.91 108.20 1pj6 h THR 782 Ca -0.01 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1pj6 h THR 782 Cb 0.96 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1pj6 h THR 782 CO 0.07 0.64 -0.27 1.33 0.37 0.00 0.00 175.52 177.66 1pj6 n VAL 783 N -4.06 0.00 -3.68 3.16 0.24 -1.20 -4.97 118.33 107.82 1pj6 n VAL 783 Ca -0.11 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.34 61.96 1pj6 n VAL 783 Cb 0.76 -0.01 0.03 0.00 -1.47 0.00 0.00 33.84 33.16 1pj6 n VAL 783 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pj6 n ALA 784 N -1.34 -2.07 -3.45 2.33 0.00 0.29 -5.00 120.51 111.27 1pj6 n ALA 784 Ca 0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1pj6 n ALA 784 Cb 0.33 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 1pj6 n ALA 784 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1pj6 s LYS 785 N -5.91 1.13 0.45 0.00 -2.85 -1.04 -4.88 119.74 106.63 1pj6 s LYS 785 Ca 0.05 -0.39 -0.24 0.00 -1.00 0.00 0.00 55.97 54.39 1pj6 s LYS 785 Cb -0.01 0.52 -0.07 0.00 -2.06 0.00 0.00 37.83 36.20 1pj6 s LYS 785 CO 0.81 -0.49 1.20 -2.14 0.10 0.00 0.00 175.35 174.84 1pj6 s PRO 786 N -3.47 3.77 0.07 1.78 0.02 -1.26 -0.46 135.00 135.45 1pj6 s PRO 786 Ca 0.02 1.89 0.08 0.00 0.02 0.00 0.00 61.00 63.01 1pj6 s PRO 786 Cb -0.01 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 1pj6 s PRO 786 CO -0.11 -0.57 -0.23 0.42 -0.33 0.00 0.00 177.00 176.18 1pj6 s ILE 787 N -1.46 1.86 -0.11 2.83 1.01 0.06 -1.36 121.20 124.03 1pj6 s ILE 787 Ca 0.62 -1.39 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 1pj6 s ILE 787 Cb -0.31 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.56 1pj6 s ILE 787 CO 0.39 0.16 0.33 0.00 0.00 0.00 0.00 174.94 175.82 1pj6 s ALA 788 N -0.92 -0.83 0.11 9.38 0.00 -0.35 -1.84 121.76 127.31 1pj6 s ALA 788 Ca 0.09 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1pj6 s ALA 788 Cb -0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1pj6 s ALA 788 CO 0.03 -0.18 0.10 0.71 0.00 0.00 0.00 175.76 176.43 1pj6 s TYR 789 N -0.10 3.19 -0.18 0.00 1.51 -0.32 0.23 117.35 121.69 1pj6 s TYR 789 Ca -0.03 0.06 -0.24 0.00 -1.01 0.00 0.00 57.07 55.85 1pj6 s TYR 789 Cb -0.03 -1.59 0.06 0.00 -0.11 0.00 0.00 41.96 40.29 1pj6 s TYR 789 CO 0.01 0.52 0.64 0.45 -1.11 0.00 0.00 175.55 176.06 1pj6 s SER 790 N -2.62 -0.64 0.44 2.29 0.15 -0.57 -0.48 113.70 112.27 1pj6 s SER 790 Ca 0.30 1.08 -0.24 0.00 0.70 0.00 0.00 55.95 57.79 1pj6 s SER 790 Cb -0.12 1.06 -0.08 0.00 -1.71 0.00 0.00 66.02 65.18 1pj6 s SER 790 CO 0.23 -0.34 1.18 -0.31 1.20 0.00 0.00 173.24 175.20 1pj6 s TYR 791 N -0.16 2.90 0.02 3.44 1.51 -1.26 -0.52 117.35 123.27 1pj6 s TYR 791 Ca -0.04 1.53 -0.04 0.00 -1.01 0.00 0.00 57.07 57.51 1pj6 s TYR 791 Cb -0.03 -3.42 -0.01 0.00 -0.11 0.00 0.00 41.96 38.39 1pj6 s TYR 791 CO 0.04 -1.55 0.07 -0.51 -1.11 0.00 0.00 175.55 172.49 1pj6 s LEU 792 N -2.87 1.88 0.55 -1.29 1.43 -0.32 -4.23 118.68 113.82 1pj6 s LEU 792 Ca 0.62 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 53.07 1pj6 s LEU 792 Cb -0.30 0.47 -0.06 0.00 0.03 0.00 0.00 46.19 46.33 1pj6 s LEU 792 CO 0.37 -0.41 1.04 -2.65 0.23 0.00 0.00 176.35 174.92 1pj6 n PRO 793 N 1.17 1.14 0.28 1.29 -0.02 -1.26 -1.06 135.00 136.53 1pj6 n PRO 793 Ca -0.21 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1pj6 n PRO 793 Cb 0.57 -2.21 0.80 0.00 -0.02 0.00 0.00 33.50 32.64 1pj6 n PRO 793 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1pj6 h GLY 794 N 0.89 0.00 2.00 -1.23 0.00 -0.95 -0.31 103.07 103.46 1pj6 h GLY 794 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1pj6 h GLY 794 CO 0.53 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 176.16 1pj6 h THR 795 N 0.00 0.00 -3.51 4.70 1.35 -1.88 -3.42 112.91 110.14 1pj6 h THR 795 Ca -0.00 -0.39 -0.53 0.00 -0.55 0.00 0.00 66.41 64.95 1pj6 h THR 795 Cb 0.16 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 1pj6 h THR 795 CO 0.01 0.00 0.33 -0.69 -0.25 0.00 0.00 175.52 174.92 1pj6 s VAL 796 N -3.48 4.63 0.27 6.82 1.01 -0.13 -5.04 120.40 124.47 1pj6 s VAL 796 Ca 0.03 2.01 0.10 0.00 0.00 0.00 0.00 61.98 64.11 1pj6 s VAL 796 Cb 0.09 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1pj6 s VAL 796 CO 0.48 0.28 -0.04 -0.44 0.00 0.00 0.00 175.10 175.38 1pj6 s SER 797 N 0.26 4.37 0.22 3.32 0.01 -1.26 -4.92 113.70 115.70 1pj6 s SER 797 Ca 0.47 -0.71 -0.31 0.00 1.31 0.00 0.00 55.95 56.71 1pj6 s SER 797 Cb -0.22 -0.75 -0.14 0.00 0.21 0.00 0.00 66.02 65.11 1pj6 s SER 797 CO 0.28 0.01 1.26 0.52 0.41 0.00 0.00 173.24 175.72 1pj6 n VAL 798 N -0.81 1.08 0.00 3.43 0.31 -1.26 -1.68 118.33 119.39 1pj6 n VAL 798 Ca -0.06 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1pj6 n VAL 798 Cb 0.59 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1pj6 n VAL 798 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pj6 n GLY 799 N 1.94 2.14 3.81 2.92 0.00 0.27 -5.01 105.19 111.26 1pj6 n GLY 799 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1pj6 n GLY 799 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pj6 s ASP 800 N -1.79 5.52 -0.09 1.61 1.01 -0.68 -4.75 116.67 117.51 1pj6 s ASP 800 Ca 0.00 1.72 -0.03 0.00 0.71 0.00 0.00 52.55 54.95 1pj6 s ASP 800 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1pj6 s ASP 800 CO 0.00 -1.35 0.06 -0.55 0.21 0.00 0.00 175.17 173.54 1pj6 s SER 801 N -3.31 5.70 0.15 0.27 0.15 -1.26 -0.92 113.70 114.48 1pj6 s SER 801 Ca 0.61 0.26 0.02 0.00 0.70 0.00 0.00 55.95 57.53 1pj6 s SER 801 Cb -0.15 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1pj6 s SER 801 CO 0.47 0.37 -0.02 0.68 1.20 0.00 0.00 173.24 175.94 1pj6 s VAL 802 N -0.98 0.68 -0.08 4.45 -7.23 -0.14 -4.75 120.40 112.35 1pj6 s VAL 802 Ca 0.15 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 1pj6 s VAL 802 Cb -0.12 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1pj6 s VAL 802 CO 0.05 -0.58 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.32 1pj6 s ASP 803 N -3.14 4.09 -0.15 4.85 1.01 -0.53 -0.54 116.67 122.25 1pj6 s ASP 803 Ca 0.21 -0.23 -0.04 0.00 0.71 0.00 0.00 52.55 53.20 1pj6 s ASP 803 Cb 0.06 -1.15 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 1pj6 s ASP 803 CO 0.02 0.28 -0.02 -0.63 0.21 0.00 0.00 175.17 175.02 1pj6 s ILE 804 N -0.35 4.02 -0.21 0.77 1.01 0.33 -0.23 121.20 126.53 1pj6 s ILE 804 Ca 0.04 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 1pj6 s ILE 804 Cb -0.12 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1pj6 s ILE 804 CO 0.02 0.50 0.40 -0.70 0.00 0.00 0.00 174.94 175.16 1pj6 s GLU 805 N 0.28 4.14 -0.17 2.79 2.12 -0.42 -0.57 118.70 126.88 1pj6 s GLU 805 Ca -0.02 0.18 -0.00 0.00 0.36 0.00 0.00 54.97 55.49 1pj6 s GLU 805 Cb -0.14 -3.56 0.04 0.00 0.26 0.00 0.00 34.13 30.73 1pj6 s GLU 805 CO 0.03 -0.09 -0.07 -0.47 -0.54 0.00 0.00 175.26 174.11 1pj6 s TYR 806 N 1.47 1.87 -1.50 5.30 5.04 0.04 -4.16 117.35 125.41 1pj6 s TYR 806 Ca 0.18 -1.17 -0.07 0.00 -2.44 0.00 0.00 57.07 53.58 1pj6 s TYR 806 Cb -0.15 -1.40 0.06 0.00 0.35 0.00 0.00 41.96 40.82 1pj6 s TYR 806 CO 0.08 -0.64 0.63 1.19 -1.34 0.00 0.00 175.55 175.48 1pj6 n PHE 807 N 4.83 -1.80 -0.42 4.97 3.01 -1.26 -1.28 117.46 125.51 1pj6 n PHE 807 Ca -0.13 0.80 0.00 0.00 1.01 0.00 0.00 57.45 59.13 1pj6 n PHE 807 Cb 0.48 -3.63 0.00 0.00 -0.01 0.00 0.00 39.48 36.32 1pj6 n PHE 807 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pj6 n GLY 808 N -1.74 2.07 3.65 1.37 0.00 -1.26 -4.86 105.19 104.43 1pj6 n GLY 808 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1pj6 n GLY 808 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pj6 s ARG 809 N -0.03 3.58 -0.20 1.61 3.52 -0.41 -5.07 118.95 121.94 1pj6 s ARG 809 Ca 0.00 -0.37 -0.26 0.00 -0.13 0.00 0.00 55.73 54.97 1pj6 s ARG 809 Cb 0.00 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 1pj6 s ARG 809 CO 0.00 0.45 0.87 1.03 -0.81 0.00 0.00 175.30 176.83 1pj6 s ARG 810 N -0.15 4.25 -0.20 5.12 1.81 -1.26 -0.78 118.95 127.74 1pj6 s ARG 810 Ca 0.06 1.05 -0.06 0.00 -1.72 0.00 0.00 55.73 55.05 1pj6 s ARG 810 Cb -0.12 -3.61 -0.03 0.00 -0.45 0.00 0.00 34.95 30.74 1pj6 s ARG 810 CO 0.02 -0.44 0.04 0.42 -0.68 0.00 0.00 175.30 174.65 1pj6 s ILE 811 N 2.56 4.33 0.14 1.52 1.01 0.26 -4.90 121.20 126.12 1pj6 s ILE 811 Ca 0.38 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1pj6 s ILE 811 Cb -0.16 -2.97 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 1pj6 s ILE 811 CO 0.10 0.42 0.98 -0.89 0.00 0.00 0.00 174.94 175.54 1pj6 s THR 812 N 0.91 4.36 0.10 2.92 2.01 -1.26 -0.51 115.64 124.17 1pj6 s THR 812 Ca 0.03 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.06 1pj6 s THR 812 Cb -0.14 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1pj6 s THR 812 CO 0.02 0.34 -0.07 0.00 -0.69 0.00 0.00 174.62 174.22 1pj6 s ALA 813 N -0.19 0.98 -0.07 7.40 0.00 0.30 -1.34 121.76 128.84 1pj6 s ALA 813 Ca 0.46 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1pj6 s ALA 813 Cb -0.24 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1pj6 s ALA 813 CO 0.31 -0.23 -0.24 0.99 0.00 0.00 0.00 175.76 176.59 1pj6 s THR 814 N -3.56 2.01 -0.05 0.00 2.01 -0.11 -0.97 115.64 114.97 1pj6 s THR 814 Ca 0.11 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 1pj6 s THR 814 Cb 0.05 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1pj6 s THR 814 CO -0.05 0.56 1.50 -0.69 -0.69 0.00 0.00 174.62 175.25 1pj6 s VAL 815 N -0.02 3.71 0.04 3.82 1.01 -0.10 -1.64 120.40 127.22 1pj6 s VAL 815 Ca -0.07 0.97 0.06 0.00 0.00 0.00 0.00 61.98 62.93 1pj6 s VAL 815 Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1pj6 s VAL 815 CO 0.05 -0.05 -0.16 -0.89 0.00 0.00 0.00 175.10 174.04 1pj6 s THR 816 N 3.33 1.27 0.29 3.92 2.01 0.52 -0.57 115.64 126.42 1pj6 s THR 816 Ca 0.67 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 1pj6 s THR 816 Cb -0.31 -1.13 -0.10 0.00 0.01 0.00 0.00 72.50 70.96 1pj6 s THR 816 CO 0.26 0.08 1.45 -0.70 -0.69 0.00 0.00 174.62 175.01 1pj6 s GLU 817 N -1.12 4.24 0.29 4.92 2.12 -1.26 -4.21 118.70 123.68 1pj6 s GLU 817 Ca 0.03 2.37 0.09 0.00 0.36 0.00 0.00 54.97 57.82 1pj6 s GLU 817 Cb -0.08 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1pj6 s GLU 817 CO 0.01 -0.43 0.07 0.16 -0.54 0.00 0.00 175.26 174.54 1pj6 s ASP 818 N 0.15 4.69 0.58 -1.70 -4.77 -1.26 -4.11 116.67 110.25 1pj6 s ASP 818 Ca 0.57 -0.66 -0.19 0.00 -3.30 0.00 0.00 52.55 48.97 1pj6 s ASP 818 Cb -0.43 -0.85 -0.04 0.00 -1.09 0.00 0.00 42.92 40.51 1pj6 s ASP 818 CO 0.49 -0.12 1.17 -2.16 0.70 0.00 0.00 175.17 175.24 1pj6 s PRO 819 N -3.76 3.09 0.32 2.11 0.04 -1.26 -5.05 135.00 130.49 1pj6 s PRO 819 Ca 0.34 1.70 0.09 0.00 0.04 0.00 0.00 61.00 63.16 1pj6 s PRO 819 Cb -0.05 -1.96 0.52 0.00 0.04 0.00 0.00 34.50 33.06 1pj6 s PRO 819 CO 0.21 -1.08 1.73 -0.07 0.04 0.00 0.00 177.00 177.83 1pj6 h LEU 820 N 0.90 0.16 -8.60 -3.56 3.38 -1.47 -3.40 115.31 102.71 1pj6 h LEU 820 Ca -0.50 -0.06 -0.66 0.00 0.09 0.00 0.00 57.88 56.75 1pj6 h LEU 820 Cb 1.28 -0.04 -0.27 0.00 0.09 0.00 0.00 40.66 41.71 1pj6 h LEU 820 CO 0.56 0.56 -0.78 -0.47 0.09 0.00 0.00 178.44 178.39 1pj6 s TYR 821 N -4.12 2.77 -1.13 1.13 6.14 -0.41 -4.82 117.35 116.91 1pj6 s TYR 821 Ca -0.04 -0.65 -0.16 0.00 0.64 0.00 0.00 57.07 56.86 1pj6 s TYR 821 Cb 0.14 -1.81 -0.02 0.00 0.42 0.00 0.00 41.96 40.68 1pj6 s TYR 821 CO 0.76 -0.20 0.82 -3.47 0.64 0.00 0.00 175.55 174.09 1pj6 n ASP 822 N 3.42 -5.39 0.27 4.32 2.03 -1.26 -4.75 116.55 115.20 1pj6 n ASP 822 Ca -0.18 -0.93 0.18 0.00 0.52 0.00 0.00 54.79 54.38 1pj6 n ASP 822 Cb 0.53 -3.86 0.83 0.00 -0.72 0.00 0.00 41.12 37.90 1pj6 n ASP 822 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1pj6 h PRO 823 N -1.69 0.00 -0.23 -0.67 0.13 -1.88 -0.77 132.00 126.89 1pj6 h PRO 823 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1pj6 h PRO 823 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1pj6 h PRO 823 CO 0.48 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.88 1pj6 n LYS 824 N -2.90 1.83 -2.19 0.86 5.02 -1.26 -4.91 118.16 114.60 1pj6 n LYS 824 Ca -0.01 -1.25 -0.20 0.00 -2.02 0.00 0.00 58.31 54.83 1pj6 n LYS 824 Cb 0.19 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1pj6 n LYS 824 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1pj6 n MET 825 N 0.48 -1.54 0.14 1.97 2.81 -0.29 -4.87 117.12 115.82 1pj6 n MET 825 Ca 0.16 1.02 0.06 0.00 -1.81 0.00 0.00 57.70 57.12 1pj6 n MET 825 Cb 0.35 -5.56 0.53 0.00 -0.71 0.00 0.00 33.22 27.83 1pj6 n MET 825 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1pj6 h THR 826 N 0.00 1.06 0.00 2.03 1.35 -1.91 -1.43 112.91 114.01 1pj6 h THR 826 Ca -0.46 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1pj6 h THR 826 Cb 1.34 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1pj6 h THR 826 CO 0.56 0.07 0.00 0.03 -0.25 0.00 0.00 175.52 175.93 1pj6 h ARG 827 N 0.24 0.00 0.00 4.72 2.47 -1.89 -3.33 114.38 116.59 1pj6 h ARG 827 Ca 0.06 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.44 1pj6 h ARG 827 Cb 0.02 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.28 1pj6 h ARG 827 CO -0.01 0.00 -2.18 1.28 0.56 0.00 0.00 179.97 179.62 1pj6 n LEU 828 N -3.02 0.27 -4.94 3.04 4.77 -0.61 -2.56 117.00 113.94 1pj6 n LEU 828 Ca 0.03 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1pj6 n LEU 828 Cb 0.45 0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.92 1pj6 n LEU 828 CO 0.31 0.46 0.15 -0.13 -1.33 0.00 0.00 177.39 176.86 1pj6 s ARG 829 N -2.52 3.48 0.00 3.23 1.81 -0.77 -4.86 118.95 119.33 1pj6 s ARG 829 Ca -0.08 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1pj6 s ARG 829 Cb 0.07 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.88 1pj6 s ARG 829 CO 0.83 0.18 0.00 0.41 -0.68 0.00 0.00 175.30 176.04