#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r28 n THR 6 N 0.00 -4.85 0.25 1.47 -2.24 -1.26 -4.19 114.28 103.46 2r28 n THR 6 Ca 0.00 2.18 0.13 0.00 -2.27 0.00 0.00 64.05 64.09 2r28 n THR 6 Cb 0.00 -3.04 0.62 0.00 -2.10 0.00 0.00 70.33 65.81 2r28 n THR 6 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2r28 h GLU 7 N 1.42 0.00 -0.27 -0.78 5.08 -2.05 -2.93 114.58 115.05 2r28 h GLU 7 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2r28 h GLU 7 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2r28 h GLU 7 CO 0.00 0.14 -0.14 1.49 -1.00 0.00 0.00 179.01 179.50 2r28 h GLU 8 N 0.00 0.57 -0.67 2.33 4.81 -1.99 -1.11 114.58 118.52 2r28 h GLU 8 Ca -0.00 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 2r28 h GLU 8 Cb 0.54 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2r28 h GLU 8 CO 0.02 0.82 0.17 1.96 -0.73 0.00 0.00 179.01 181.25 2r28 h GLN 9 N 0.30 1.08 -0.11 1.92 4.20 -1.69 -1.28 115.11 119.53 2r28 h GLN 9 Ca 0.06 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 2r28 h GLN 9 Cb 0.66 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2r28 h GLN 9 CO 0.04 0.96 0.03 0.82 -0.67 0.00 0.00 178.83 180.01 2r28 h ILE 10 N 1.01 1.19 -0.74 2.54 1.08 -1.50 -1.83 117.51 119.26 2r28 h ILE 10 Ca 0.21 -0.59 0.17 0.00 -0.39 0.00 0.00 64.86 64.27 2r28 h ILE 10 Cb 0.36 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 2r28 h ILE 10 CO 0.00 0.17 0.51 0.00 -0.69 0.00 0.00 178.15 178.14 2r28 h ALA 11 N 0.83 2.33 -0.15 1.87 0.00 -1.07 0.48 119.26 123.54 2r28 h ALA 11 Ca 0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2r28 h ALA 11 Cb 0.24 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2r28 h ALA 11 CO 0.00 -0.54 -0.56 0.93 0.00 0.00 0.00 179.25 179.08 2r28 h GLU 12 N 0.25 0.65 -0.68 0.00 5.08 -0.82 -1.04 114.58 118.02 2r28 h GLU 12 Ca 0.36 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2r28 h GLU 12 Cb 1.06 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2r28 h GLU 12 CO -0.08 1.12 0.17 0.74 -1.00 0.00 0.00 179.01 179.95 2r28 h PHE 13 N 0.32 1.12 -0.19 4.33 -1.00 -0.48 -0.99 116.94 120.06 2r28 h PHE 13 Ca -0.03 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.63 2r28 h PHE 13 Cb 1.19 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 40.42 2r28 h PHE 13 CO 0.10 0.91 0.11 0.87 -1.61 0.00 0.00 178.31 178.69 2r28 h LYS 14 N 1.02 0.25 -0.60 1.51 1.57 -0.91 0.14 116.57 119.56 2r28 h LYS 14 Ca 0.22 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2r28 h LYS 14 Cb 0.35 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 2r28 h LYS 14 CO 0.00 0.21 0.33 1.49 -0.57 0.00 0.00 179.45 180.91 2r28 h GLU 15 N 0.22 0.61 -0.53 3.15 4.57 -1.04 -1.25 114.58 120.31 2r28 h GLU 15 Ca 0.07 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2r28 h GLU 15 Cb 0.02 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 2r28 h GLU 15 CO -0.01 0.40 0.20 0.00 -1.18 0.00 0.00 179.01 178.41 2r28 h ALA 16 N 1.30 0.69 -0.60 2.92 0.00 -1.10 -2.12 119.26 120.35 2r28 h ALA 16 Ca 0.26 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2r28 h ALA 16 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2r28 h ALA 16 CO -0.16 0.31 0.39 0.35 0.00 0.00 0.00 179.25 180.15 2r28 h PHE 17 N 0.72 0.74 0.00 0.00 3.04 -0.50 -2.59 116.94 118.35 2r28 h PHE 17 Ca 0.17 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 2r28 h PHE 17 Cb 0.22 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 2r28 h PHE 17 CO 0.01 0.46 -0.24 0.66 -2.02 0.00 0.00 178.31 177.18 2r28 h SER 18 N 0.79 0.00 -0.20 0.41 4.64 -1.10 -0.65 113.55 117.45 2r28 h SER 18 Ca 0.23 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.59 2r28 h SER 18 Cb -0.07 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.98 2r28 h SER 18 CO -0.06 0.24 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.97 2r28 h LEU 19 N 0.00 -0.34 0.07 5.97 -0.00 -0.97 -3.25 115.31 116.79 2r28 h LEU 19 Ca -0.00 0.08 -0.28 0.00 -0.00 0.00 0.00 57.88 57.67 2r28 h LEU 19 Cb 0.54 0.19 0.02 0.00 -0.00 0.00 0.00 40.66 41.41 2r28 h LEU 19 CO 0.03 -0.13 -1.19 -0.26 -0.00 0.00 0.00 178.44 176.88 2r28 h PHE 20 N -0.08 0.88 -2.45 1.13 0.04 -1.45 -3.37 116.94 111.63 2r28 h PHE 20 Ca 0.11 -0.55 -0.71 0.00 2.80 0.00 0.00 57.97 59.61 2r28 h PHE 20 Cb 0.25 -0.07 -0.18 0.00 2.20 0.00 0.00 35.95 38.14 2r28 h PHE 20 CO -0.26 1.40 0.94 0.34 -0.60 0.00 0.00 178.31 180.13 2r28 s ASP 21 N -7.33 6.80 0.11 2.17 3.68 -0.28 -4.64 116.67 117.18 2r28 s ASP 21 Ca -0.08 -2.44 -0.14 0.00 2.13 0.00 0.00 52.55 52.02 2r28 s ASP 21 Cb 0.06 -2.38 -0.06 0.00 -1.45 0.00 0.00 42.92 39.10 2r28 s ASP 21 CO 0.92 -0.91 1.48 0.11 0.13 0.00 0.00 175.17 176.90 2r28 h LYS 22 N 8.16 0.74 0.00 4.34 1.57 -1.74 -3.06 116.57 126.58 2r28 h LYS 22 Ca 0.21 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2r28 h LYS 22 Cb 0.97 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2r28 h LYS 22 CO 1.13 0.95 0.00 0.38 -0.57 0.00 0.00 179.45 181.33 2r28 h ASP 23 N 0.52 0.00 0.00 0.86 3.04 -1.91 -3.48 116.42 115.46 2r28 h ASP 23 Ca 0.07 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 2r28 h ASP 23 Cb 0.74 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.03 2r28 h ASP 23 CO 0.06 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 2r28 n GLY 24 N 1.10 0.54 0.06 7.15 0.00 -1.16 -4.98 105.19 107.92 2r28 n GLY 24 Ca 0.04 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 2r28 n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2r28 h ASP 25 N 0.00 0.06 0.00 1.61 3.04 -1.92 -3.48 116.42 115.73 2r28 h ASP 25 Ca 0.00 -0.27 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 2r28 h ASP 25 Cb 0.57 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 2r28 h ASP 25 CO 0.00 0.32 0.00 0.61 -2.04 0.00 0.00 179.24 178.13 2r28 n GLY 26 N -0.36 0.57 3.47 7.15 0.00 -1.26 -5.16 105.19 109.61 2r28 n GLY 26 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2r28 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r28 s THR 27 N -1.53 1.43 -0.18 2.61 -4.23 -1.26 -4.50 115.64 107.98 2r28 s THR 27 Ca 0.00 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 2r28 s THR 27 Cb 0.00 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.11 2r28 s THR 27 CO 0.00 -0.07 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.23 2r28 s ILE 28 N -3.13 1.82 0.28 2.99 1.01 -0.41 -4.75 121.20 119.01 2r28 s ILE 28 Ca 0.35 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2r28 s ILE 28 Cb 0.08 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 2r28 s ILE 28 CO 0.15 0.39 0.43 0.42 0.00 0.00 0.00 174.94 176.33 2r28 s THR 29 N 1.36 5.20 0.25 2.92 -4.23 -1.26 -0.25 115.64 119.64 2r28 s THR 29 Ca 0.03 -0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 59.67 2r28 s THR 29 Cb -0.14 -3.86 0.34 0.00 1.34 0.00 0.00 72.50 70.18 2r28 s THR 29 CO -0.11 -0.41 1.60 0.71 -0.54 0.00 0.00 174.62 175.87 2r28 h THR 30 N 1.02 0.19 -0.36 3.99 1.35 -1.92 -0.32 112.91 116.86 2r28 h THR 30 Ca -0.51 -0.01 0.04 0.00 -0.55 0.00 0.00 66.41 65.39 2r28 h THR 30 Cb 1.23 0.17 -0.07 0.00 -1.73 0.00 0.00 68.15 67.74 2r28 h THR 30 CO 0.61 0.00 -0.50 0.50 -0.25 0.00 0.00 175.52 175.88 2r28 h LYS 31 N 0.02 -0.36 -0.75 4.72 3.64 -1.99 -1.99 116.57 119.87 2r28 h LYS 31 Ca 0.42 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.85 2r28 h LYS 31 Cb 0.69 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 2r28 h LYS 31 CO -0.82 -0.24 0.48 0.93 -2.27 0.00 0.00 179.45 177.54 2r28 h GLU 32 N -0.37 0.92 -0.16 1.90 5.08 -1.42 -2.79 114.58 117.75 2r28 h GLU 32 Ca 0.06 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2r28 h GLU 32 Cb 0.54 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2r28 h GLU 32 CO -0.53 0.61 0.05 -0.07 -1.00 0.00 0.00 179.01 178.07 2r28 h LEU 33 N 0.95 0.06 -0.49 1.33 3.38 -1.19 -2.76 115.31 116.58 2r28 h LEU 33 Ca 0.30 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.37 2r28 h LEU 33 Cb -0.01 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2r28 h LEU 33 CO -0.10 0.06 0.06 1.23 0.09 0.00 0.00 178.44 179.77 2r28 h GLY 34 N 0.13 0.56 1.88 0.83 0.00 -1.10 -0.54 103.07 104.82 2r28 h GLY 34 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 2r28 h GLY 34 CO -0.07 -0.10 -0.23 -0.84 0.00 0.00 0.00 176.54 175.30 2r28 h THR 35 N 0.18 1.21 0.04 4.70 2.02 -1.32 -1.10 112.91 118.63 2r28 h THR 35 Ca 0.25 -0.95 -0.29 0.00 0.77 0.00 0.00 66.41 66.18 2r28 h THR 35 Cb 0.35 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2r28 h THR 35 CO -0.36 0.29 -1.62 0.58 0.37 0.00 0.00 175.52 174.77 2r28 h VAL 36 N 0.14 0.99 -0.44 3.16 2.07 -1.18 -3.05 116.25 117.94 2r28 h VAL 36 Ca 0.02 -2.77 -0.03 0.00 0.82 0.00 0.00 66.70 64.74 2r28 h VAL 36 Cb 0.48 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2r28 h VAL 36 CO 0.03 0.67 0.14 -0.03 0.02 0.00 0.00 177.57 178.40 2r28 h MET 37 N 0.02 0.68 0.21 1.57 -1.53 -0.61 -2.12 114.93 113.14 2r28 h MET 37 Ca -0.26 -0.14 0.00 0.00 -3.44 0.00 0.00 59.70 55.86 2r28 h MET 37 Cb 1.98 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 32.92 2r28 h MET 37 CO 0.10 0.66 -0.19 0.00 0.14 0.00 0.00 176.91 177.62 2r28 h ARG 38 N 0.57 -0.41 -1.17 0.39 3.08 -1.27 -1.00 114.38 114.56 2r28 h ARG 38 Ca 0.14 0.03 0.34 0.00 0.07 0.00 0.00 59.98 60.56 2r28 h ARG 38 Cb 0.26 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2r28 h ARG 38 CO -0.00 -0.27 0.97 0.77 -1.07 0.00 0.00 179.97 180.37 2r28 h SER 39 N -0.42 0.00 -0.59 7.04 0.02 -1.41 -0.85 113.55 117.34 2r28 h SER 39 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2r28 h SER 39 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2r28 h SER 39 CO -0.04 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.83 2r28 n LEU 40 N -3.84 3.64 0.00 5.07 4.77 -0.76 -4.96 117.00 120.92 2r28 n LEU 40 Ca 0.26 -2.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 2r28 n LEU 40 Cb 1.35 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2r28 n LEU 40 CO 0.35 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 2r28 n GLY 41 N 1.19 1.34 3.94 -0.72 0.00 -0.32 -5.05 105.19 105.58 2r28 n GLY 41 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2r28 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r28 s GLN 42 N 0.00 2.97 -0.40 1.61 -1.52 -0.45 -4.95 119.66 116.91 2r28 s GLN 42 Ca 0.00 -0.39 0.11 0.00 -1.95 0.00 0.00 55.36 53.13 2r28 s GLN 42 Cb 0.00 -2.47 0.41 0.00 -0.22 0.00 0.00 33.01 30.73 2r28 s GLN 42 CO 0.00 -0.44 0.96 -1.71 -0.25 0.00 0.00 175.29 173.86 2r28 n ASN 43 N -2.25 2.80 -4.76 5.90 5.15 -1.26 -3.60 115.26 117.25 2r28 n ASN 43 Ca 0.03 -3.22 -0.38 0.00 -0.60 0.00 0.00 54.58 50.40 2r28 n ASN 43 Cb 0.58 -0.53 0.02 0.00 -0.53 0.00 0.00 39.78 39.32 2r28 n ASN 43 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2r28 s PRO 44 N -3.18 3.46 0.74 1.20 0.04 -1.26 -5.02 135.00 130.97 2r28 s PRO 44 Ca 0.39 2.13 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 2r28 s PRO 44 Cb 0.40 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2r28 s PRO 44 CO -0.08 -0.91 1.11 0.95 0.04 0.00 0.00 177.00 178.11 2r28 s THR 45 N -1.35 2.74 0.36 1.26 -4.23 -1.26 -4.91 115.64 108.25 2r28 s THR 45 Ca 0.67 0.16 0.06 0.00 -1.18 0.00 0.00 61.69 61.39 2r28 s THR 45 Cb -0.38 -3.22 0.19 0.00 1.34 0.00 0.00 72.50 70.43 2r28 s THR 45 CO 0.46 -0.28 1.93 -0.33 -0.54 0.00 0.00 174.62 175.85 2r28 h GLU 46 N -0.78 0.49 -0.34 3.99 4.39 -1.99 -1.87 114.58 118.46 2r28 h GLU 46 Ca -0.45 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.06 2r28 h GLU 46 Cb 1.29 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2r28 h GLU 46 CO 0.64 0.48 -0.20 0.00 -1.16 0.00 0.00 179.01 178.77 2r28 h ALA 47 N 1.58 1.01 -0.42 3.43 0.00 -1.99 -2.15 119.26 120.73 2r28 h ALA 47 Ca 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2r28 h ALA 47 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2r28 h ALA 47 CO 0.00 0.59 0.21 1.49 0.00 0.00 0.00 179.25 181.54 2r28 h GLU 48 N 0.58 0.59 -0.47 0.00 4.81 -1.77 -1.61 114.58 116.70 2r28 h GLU 48 Ca 0.09 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2r28 h GLU 48 Cb 0.66 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2r28 h GLU 48 CO 0.05 0.50 0.24 -0.07 -0.73 0.00 0.00 179.01 179.00 2r28 h LEU 49 N 0.54 0.60 -0.73 1.64 3.38 -1.22 -1.33 115.31 118.19 2r28 h LEU 49 Ca 0.14 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2r28 h LEU 49 Cb 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2r28 h LEU 49 CO -0.02 0.54 -0.07 1.56 0.09 0.00 0.00 178.44 180.53 2r28 h GLN 50 N 0.62 0.90 -0.44 1.13 1.08 -1.25 -2.19 115.11 114.96 2r28 h GLN 50 Ca 0.16 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 2r28 h GLN 50 Cb 0.08 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2r28 h GLN 50 CO -0.02 0.94 0.09 0.22 -0.95 0.00 0.00 178.83 179.10 2r28 h ASP 51 N 0.81 0.62 -0.45 1.46 3.58 -1.11 0.52 116.42 121.84 2r28 h ASP 51 Ca 0.14 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2r28 h ASP 51 Cb 0.59 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2r28 h ASP 51 CO 0.04 0.63 0.28 0.24 -2.88 0.00 0.00 179.24 177.54 2r28 h MET 52 N 0.65 0.61 -0.19 0.28 2.86 -0.81 -0.97 114.93 117.35 2r28 h MET 52 Ca 0.15 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 2r28 h MET 52 Cb 0.27 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2r28 h MET 52 CO -0.00 0.44 -0.50 0.82 1.06 0.00 0.00 176.91 178.73 2r28 h ILE 53 N 0.60 1.32 -0.58 -1.22 2.04 -1.16 -3.29 117.51 115.21 2r28 h ILE 53 Ca 0.16 -1.73 0.02 0.00 1.00 0.00 0.00 64.86 64.32 2r28 h ILE 53 Cb -0.02 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2r28 h ILE 53 CO -0.03 0.54 0.36 0.78 0.00 0.00 0.00 178.15 179.80 2r28 h ASN 54 N 0.37 0.58 -1.11 1.72 2.35 0.33 -0.41 115.58 119.41 2r28 h ASN 54 Ca -0.01 0.00 0.32 0.00 -0.55 0.00 0.00 56.30 56.06 2r28 h ASN 54 Cb 1.11 -0.12 -0.11 0.00 0.05 0.00 0.00 38.32 39.25 2r28 h ASN 54 CO 0.11 0.41 0.71 -0.08 -1.65 0.00 0.00 177.43 176.92 2r28 h GLU 55 N 0.70 0.29 -0.01 0.81 4.57 -1.25 -2.96 114.58 116.73 2r28 h GLU 55 Ca 0.23 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2r28 h GLU 55 Cb 0.01 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2r28 h GLU 55 CO -0.09 0.19 0.00 1.33 -1.18 0.00 0.00 179.01 179.26 2r28 n VAL 56 N -4.70 0.92 -2.55 0.32 0.24 -0.59 -4.88 118.33 107.08 2r28 n VAL 56 Ca 0.30 -0.96 -0.43 0.00 -2.04 0.00 0.00 64.34 61.21 2r28 n VAL 56 Cb 1.05 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 2r28 n VAL 56 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2r28 n ASP 57 N -0.42 5.10 0.31 -1.34 4.64 -0.27 -4.76 116.55 119.81 2r28 n ASP 57 Ca 0.00 -3.05 0.18 0.00 -1.38 0.00 0.00 54.79 50.55 2r28 n ASP 57 Cb 0.24 -1.53 1.03 0.00 -1.04 0.00 0.00 41.12 39.82 2r28 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2r28 h ALA 58 N 6.33 1.32 -0.53 -1.67 0.00 -1.89 -2.11 119.26 120.70 2r28 h ALA 58 Ca 0.37 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2r28 h ALA 58 Cb 0.73 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2r28 h ALA 58 CO 1.49 0.00 0.03 -0.40 0.00 0.00 0.00 179.25 180.36 2r28 n ASP 59 N -3.55 5.29 -2.96 0.00 5.68 -1.26 -5.00 116.55 114.75 2r28 n ASP 59 Ca -0.03 -2.99 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 2r28 n ASP 59 Cb 0.08 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.39 2r28 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2r28 n GLY 60 N 0.31 0.00 0.13 6.12 0.00 -0.79 -4.88 105.19 106.08 2r28 n GLY 60 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.37 2r28 n GLY 60 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2r28 n ASN 61 N 0.70 1.83 0.00 1.61 6.94 -1.26 -5.04 115.26 120.03 2r28 n ASN 61 Ca 0.00 -2.70 0.00 0.00 -0.02 0.00 0.00 54.58 51.86 2r28 n ASN 61 Cb 0.00 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 2r28 n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2r28 n GLY 62 N -1.03 0.19 3.39 4.83 0.00 -1.26 -4.98 105.19 106.33 2r28 n GLY 62 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2r28 n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r28 s THR 63 N -1.43 0.58 -0.22 2.61 -4.23 -1.26 -4.62 115.64 107.07 2r28 s THR 63 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2r28 s THR 63 Cb 0.00 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.30 2r28 s THR 63 CO 0.00 0.00 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.36 2r28 s ILE 64 N -3.49 2.83 0.45 2.99 1.01 0.66 -4.87 121.20 120.77 2r28 s ILE 64 Ca 0.34 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 2r28 s ILE 64 Cb 0.06 -2.34 0.10 0.00 0.01 0.00 0.00 42.46 40.29 2r28 s ILE 64 CO 0.16 0.34 0.61 -0.90 0.00 0.00 0.00 174.94 175.15 2r28 n ASP 65 N 4.69 0.34 -0.05 3.58 5.68 -1.26 -1.29 116.55 128.24 2r28 n ASP 65 Ca -0.18 -1.40 -0.10 0.00 -0.50 0.00 0.00 54.79 52.61 2r28 n ASP 65 Cb 0.49 -0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 39.99 2r28 n ASP 65 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2r28 h PHE 66 N -1.00 0.29 0.00 2.11 3.57 -2.00 -1.53 116.94 118.39 2r28 h PHE 66 Ca -0.20 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.23 2r28 h PHE 66 Cb 0.62 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2r28 h PHE 66 CO 0.00 0.28 -0.28 -1.00 -2.23 0.00 0.00 178.31 175.08 2r28 h PRO 67 N 0.22 0.00 -0.34 6.41 0.13 -1.98 0.16 132.00 136.59 2r28 h PRO 67 Ca 0.07 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.05 2r28 h PRO 67 Cb 0.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 2r28 h PRO 67 CO -0.01 0.28 -0.38 0.93 -0.23 0.00 0.00 178.00 178.59 2r28 h GLU 68 N 0.00 0.82 -0.52 0.86 5.08 -1.82 -1.26 114.58 117.73 2r28 h GLU 68 Ca -0.00 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 2r28 h GLU 68 Cb 0.51 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2r28 h GLU 68 CO 0.04 1.06 0.08 0.35 -1.00 0.00 0.00 179.01 179.53 2r28 h PHE 69 N 0.67 0.92 -0.59 4.33 3.57 -0.93 -0.66 116.94 124.25 2r28 h PHE 69 Ca 0.06 -0.13 0.09 0.00 3.53 0.00 0.00 57.97 61.52 2r28 h PHE 69 Cb 0.95 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 2r28 h PHE 69 CO 0.05 0.83 0.21 -0.07 -2.23 0.00 0.00 178.31 177.11 2r28 h LEU 70 N 0.75 0.20 -0.51 0.59 4.07 -0.92 0.19 115.31 119.68 2r28 h LEU 70 Ca 0.16 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.18 2r28 h LEU 70 Cb 0.41 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 2r28 h LEU 70 CO 0.01 0.13 0.25 0.74 -1.08 0.00 0.00 178.44 178.48 2r28 h THR 71 N 0.39 1.19 -0.07 0.22 2.02 -0.82 -0.39 112.91 115.45 2r28 h THR 71 Ca 0.30 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.94 2r28 h THR 71 Cb 0.36 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2r28 h THR 71 CO -0.30 0.21 0.01 -0.03 0.37 0.00 0.00 175.52 175.78 2r28 h MET 72 N 0.67 0.04 -0.63 6.66 1.85 -0.82 -0.86 114.93 121.85 2r28 h MET 72 Ca 0.17 -0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.28 2r28 h MET 72 Cb 0.11 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.10 2r28 h MET 72 CO -0.02 0.03 0.40 0.52 -0.40 0.00 0.00 176.91 177.44 2r28 h MET 73 N 0.04 0.79 0.10 0.39 2.07 -0.41 0.64 114.93 118.55 2r28 h MET 73 Ca 0.03 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2r28 h MET 73 Cb 0.03 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.57 2r28 h MET 73 CO -0.04 0.52 -0.09 0.00 1.07 0.00 0.00 176.91 178.37 2r28 h ALA 74 N 1.25 -0.18 0.27 6.32 0.00 -1.01 0.69 119.26 126.61 2r28 h ALA 74 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2r28 h ALA 74 Cb -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2r28 h ALA 74 CO -0.07 -0.61 -0.23 -0.09 0.00 0.00 0.00 179.25 178.24 2r28 h ARG 75 N -0.20 -0.50 -0.72 0.00 2.43 -1.02 -1.47 114.38 112.90 2r28 h ARG 75 Ca -0.00 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2r28 h ARG 75 Cb 0.18 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2r28 h ARG 75 CO -0.01 -0.33 0.25 0.87 -1.51 0.00 0.00 179.97 179.23 2r28 h LYS 76 N -0.52 1.09 -0.31 0.20 1.79 -0.80 -1.06 116.57 116.96 2r28 h LYS 76 Ca -0.01 -0.21 -0.06 0.00 -2.18 0.00 0.00 60.65 58.19 2r28 h LYS 76 Cb 0.47 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2r28 h LYS 76 CO -0.03 0.91 -0.03 0.52 -1.08 0.00 0.00 179.45 179.74 2r28 h MET 77 N 1.06 0.57 -0.27 3.15 2.86 -0.73 -0.16 114.93 121.41 2r28 h MET 77 Ca 0.24 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 2r28 h MET 77 Cb 0.26 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 2r28 h MET 77 CO -0.01 0.73 -0.11 -0.22 1.06 0.00 0.00 176.91 178.35 2r28 h LYS 78 N 0.35 -0.07 -0.34 1.72 3.64 -1.07 0.32 116.57 121.12 2r28 h LYS 78 Ca 0.08 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2r28 h LYS 78 Cb 0.50 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2r28 h LYS 78 CO 0.02 -0.05 0.10 -0.44 -2.27 0.00 0.00 179.45 176.82 2r28 h ASP 79 N -0.07 0.10 -0.72 4.20 3.45 -1.11 -0.31 116.42 121.96 2r28 h ASP 79 Ca 0.14 0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.58 2r28 h ASP 79 Cb 0.28 0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.06 2r28 h ASP 79 CO -0.32 0.09 0.22 0.74 -1.57 0.00 0.00 179.24 178.41 2r28 h THR 80 N 0.24 1.26 -0.27 0.35 2.02 -0.79 -0.32 112.91 115.40 2r28 h THR 80 Ca 0.16 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 2r28 h THR 80 Cb 0.14 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2r28 h THR 80 CO -0.17 0.35 0.07 0.44 0.37 0.00 0.00 175.52 176.58 2r28 h ASP 81 N 1.06 0.40 0.10 4.18 3.45 -0.74 -1.66 116.42 123.21 2r28 h ASP 81 Ca 0.23 -0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 2r28 h ASP 81 Cb 0.31 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 2r28 h ASP 81 CO -0.01 0.53 -0.05 -1.28 -1.57 0.00 0.00 179.24 176.86 2r28 h SER 82 N 0.26 -0.11 -0.48 6.45 0.87 -0.90 -1.15 113.55 118.49 2r28 h SER 82 Ca 0.08 -0.15 0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2r28 h SER 82 Cb 0.28 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 2r28 h SER 82 CO 0.00 0.08 0.13 -0.08 -0.53 0.00 0.00 176.83 176.43 2r28 h GLU 83 N -0.30 0.28 -0.86 2.24 4.81 -1.02 -1.70 114.58 118.03 2r28 h GLU 83 Ca -0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2r28 h GLU 83 Cb 0.25 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2r28 h GLU 83 CO 0.02 0.18 0.52 0.93 -0.73 0.00 0.00 179.01 179.93 2r28 h GLU 84 N 0.29 1.16 -0.26 1.92 5.08 -1.11 0.16 114.58 121.81 2r28 h GLU 84 Ca 0.24 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2r28 h GLU 84 Cb 0.28 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2r28 h GLU 84 CO -0.28 0.81 0.07 0.93 -1.00 0.00 0.00 179.01 179.55 2r28 h GLU 85 N 1.17 0.42 -0.20 2.33 5.08 -0.78 -0.62 114.58 121.97 2r28 h GLU 85 Ca 0.31 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2r28 h GLU 85 Cb -0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2r28 h GLU 85 CO -0.06 0.50 -0.10 0.82 -1.00 0.00 0.00 179.01 179.18 2r28 h ILE 86 N 0.26 1.31 -0.99 3.13 2.04 -1.08 0.06 117.51 122.24 2r28 h ILE 86 Ca 0.08 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.80 2r28 h ILE 86 Cb 0.27 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 2r28 h ILE 86 CO -0.00 0.35 0.65 -0.09 0.00 0.00 0.00 178.15 179.07 2r28 h ARG 87 N 0.12 1.28 -0.18 2.37 2.43 -0.57 -0.83 114.38 119.01 2r28 h ARG 87 Ca 0.05 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 2r28 h ARG 87 Cb 0.59 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2r28 h ARG 87 CO 0.03 0.85 -0.67 1.49 -1.51 0.00 0.00 179.97 180.16 2r28 h GLU 88 N 1.32 0.68 -0.52 0.20 4.57 -0.92 -1.01 114.58 118.91 2r28 h GLU 88 Ca 0.37 -0.50 -0.11 0.00 -1.18 0.00 0.00 59.36 57.94 2r28 h GLU 88 Cb -0.12 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2r28 h GLU 88 CO -0.09 1.12 -0.10 0.00 -1.18 0.00 0.00 179.01 178.76 2r28 h ALA 89 N 0.76 0.83 -0.66 2.92 0.00 -0.59 -1.60 119.26 120.91 2r28 h ALA 89 Ca -0.02 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.64 2r28 h ALA 89 Cb 1.26 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 2r28 h ALA 89 CO 0.13 0.66 0.31 0.35 0.00 0.00 0.00 179.25 180.69 2r28 h PHE 90 N 0.87 0.55 -0.33 0.00 3.57 -0.95 -2.21 116.94 118.43 2r28 h PHE 90 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2r28 h PHE 90 Cb 0.65 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2r28 h PHE 90 CO 0.04 0.19 -0.00 -0.09 -2.23 0.00 0.00 178.31 176.22 2r28 h ARG 91 N 0.53 0.51 -0.44 1.11 2.43 -0.66 0.68 114.38 118.55 2r28 h ARG 91 Ca 0.32 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2r28 h ARG 91 Cb 0.34 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2r28 h ARG 91 CO -0.27 0.54 0.24 0.28 -1.51 0.00 0.00 179.97 179.25 2r28 h VAL 92 N 0.49 1.16 0.00 0.20 2.07 -0.76 -3.25 116.25 116.16 2r28 h VAL 92 Ca 0.11 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2r28 h VAL 92 Cb 0.32 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2r28 h VAL 92 CO 0.01 0.17 -0.00 -0.26 0.02 0.00 0.00 177.57 177.51 2r28 h PHE 93 N 0.57 -0.00 0.00 1.57 0.04 -1.12 -3.38 116.94 114.62 2r28 h PHE 93 Ca 0.15 -0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.23 2r28 h PHE 93 Cb 0.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2r28 h PHE 93 CO -0.02 0.40 3.00 -3.47 -0.60 0.00 0.00 178.31 177.62 2r28 n ASP 94 N -4.90 3.69 -0.33 2.17 4.64 0.21 -4.68 116.55 117.35 2r28 n ASP 94 Ca -0.08 -2.81 -0.02 0.00 -1.38 0.00 0.00 54.79 50.50 2r28 n ASP 94 Cb 0.21 -1.56 0.14 0.00 -1.04 0.00 0.00 41.12 38.87 2r28 n ASP 94 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2r28 h LYS 95 N 6.33 1.23 -0.08 -0.67 1.79 -1.75 -0.53 116.57 122.89 2r28 h LYS 95 Ca 0.55 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2r28 h LYS 95 Cb 0.64 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2r28 h LYS 95 CO 1.90 0.84 0.00 -0.40 -1.08 0.00 0.00 179.45 180.71 2r28 n ASP 96 N -4.37 1.07 -0.44 0.86 5.75 -1.26 -4.94 116.55 113.20 2r28 n ASP 96 Ca 0.10 -1.52 -0.06 0.00 -0.01 0.00 0.00 54.79 53.30 2r28 n ASP 96 Cb 0.04 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 2r28 n ASP 96 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r28 n GLY 97 N 1.05 0.75 0.57 6.12 0.00 -0.21 -4.89 105.19 108.58 2r28 n GLY 97 Ca 0.17 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2r28 n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2r28 n ASN 98 N -0.22 1.76 0.00 1.61 2.04 -1.26 -4.91 115.26 114.28 2r28 n ASN 98 Ca -0.06 -1.64 0.00 0.00 -0.44 0.00 0.00 54.58 52.44 2r28 n ASN 98 Cb 0.33 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.53 2r28 n ASN 98 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2r28 n GLY 99 N 1.18 0.81 3.04 4.83 0.00 -1.26 -5.06 105.19 108.74 2r28 n GLY 99 Ca 0.18 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2r28 n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r28 s TYR 100 N -2.00 -0.20 -0.33 1.61 2.02 -1.26 -4.02 117.35 113.18 2r28 s TYR 100 Ca 0.00 0.49 -0.13 0.00 -0.37 0.00 0.00 57.07 57.06 2r28 s TYR 100 Cb 0.00 0.05 -0.02 0.00 -0.40 0.00 0.00 41.96 41.59 2r28 s TYR 100 CO 0.00 -0.11 0.26 0.42 -1.57 0.00 0.00 175.55 174.55 2r28 s ILE 101 N 0.25 5.26 0.46 2.71 1.01 0.67 -4.80 121.20 126.76 2r28 s ILE 101 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 2r28 s ILE 101 Cb -0.03 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 2r28 s ILE 101 CO -0.01 0.03 0.83 -0.94 0.00 0.00 0.00 174.94 174.85 2r28 s SER 102 N 1.73 6.46 0.34 3.58 1.04 -1.26 -0.74 113.70 124.85 2r28 s SER 102 Ca 0.08 1.18 0.14 0.00 0.48 0.00 0.00 55.95 57.83 2r28 s SER 102 Cb -0.17 -2.35 1.08 0.00 0.10 0.00 0.00 66.02 64.69 2r28 s SER 102 CO 0.11 -0.51 1.64 0.00 0.98 0.00 0.00 173.24 175.46 2r28 h ALA 103 N 0.86 1.87 -0.06 5.32 0.00 -1.91 0.20 119.26 125.54 2r28 h ALA 103 Ca -0.47 0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 2r28 h ALA 103 Cb 1.19 0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.24 2r28 h ALA 103 CO 0.63 -0.65 -0.73 0.00 0.00 0.00 0.00 179.25 178.50 2r28 h ALA 104 N 1.88 0.17 -0.34 0.00 0.00 -1.97 0.18 119.26 119.19 2r28 h ALA 104 Ca 0.73 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2r28 h ALA 104 Cb 1.71 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 2r28 h ALA 104 CO -0.67 0.52 0.12 0.93 0.00 0.00 0.00 179.25 180.15 2r28 h GLU 105 N 0.24 0.26 -0.69 0.00 5.08 -1.74 -1.39 114.58 116.33 2r28 h GLU 105 Ca -0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2r28 h GLU 105 Cb 1.39 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 2r28 h GLU 105 CO 0.15 0.17 0.41 1.25 -1.00 0.00 0.00 179.01 179.99 2r28 h LEU 106 N 0.26 0.65 -1.11 1.33 5.85 -0.47 -2.38 115.31 119.44 2r28 h LEU 106 Ca 0.15 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2r28 h LEU 106 Cb 0.12 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2r28 h LEU 106 CO -0.15 0.44 0.61 -0.09 -0.34 0.00 0.00 178.44 178.90 2r28 h ARG 107 N 0.78 1.14 0.00 1.25 2.43 -0.39 0.46 114.38 120.06 2r28 h ARG 107 Ca 0.29 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 2r28 h ARG 107 Cb 0.09 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2r28 h ARG 107 CO -0.14 0.76 -0.45 1.25 -1.51 0.00 0.00 179.97 179.88 2r28 h HIS 108 N 1.18 0.00 0.07 2.20 2.76 -0.77 -0.70 115.15 119.89 2r28 h HIS 108 Ca 0.36 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.37 2r28 h HIS 108 Cb -0.02 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 2r28 h HIS 108 CO -0.00 0.45 -0.82 0.28 -1.30 0.00 0.00 177.93 176.54 2r28 h VAL 109 N 0.00 1.36 -0.01 5.26 2.07 -0.87 -3.14 116.25 120.92 2r28 h VAL 109 Ca -0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2r28 h VAL 109 Cb 0.90 2.96 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 2r28 h VAL 109 CO 0.06 0.61 0.16 0.24 0.02 0.00 0.00 177.57 178.67 2r28 h MET 110 N -0.64 0.00 0.00 1.57 2.07 -0.07 0.13 114.93 117.98 2r28 h MET 110 Ca -0.18 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.45 2r28 h MET 110 Cb 1.43 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.16 2r28 h MET 110 CO 0.02 0.00 0.00 2.41 1.07 0.00 0.00 176.91 180.41 2r28 n THR 111 N -3.03 0.00 -0.09 2.22 -1.04 -0.27 -4.20 114.28 107.87 2r28 n THR 111 Ca -0.02 0.64 -0.10 0.00 -2.04 0.00 0.00 64.05 62.53 2r28 n THR 111 Cb 0.23 -1.33 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 2r28 n THR 111 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2r28 h ASN 112 N 0.00 -1.28 -4.24 8.00 4.21 -1.48 -3.46 115.58 117.32 2r28 h ASN 112 Ca 0.00 0.17 -0.20 0.00 1.21 0.00 0.00 56.30 57.48 2r28 h ASN 112 Cb 0.00 0.52 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 2r28 h ASN 112 CO 0.00 -0.28 -0.10 0.18 -1.29 0.00 0.00 177.43 175.94 2r28 n LEU 113 N -4.54 0.00 -0.45 1.61 4.77 0.42 -5.04 117.00 113.77 2r28 n LEU 113 Ca -0.03 -0.99 0.06 0.00 -0.03 0.00 0.00 56.01 55.03 2r28 n LEU 113 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2r28 n LEU 113 CO 0.01 -0.35 -0.12 0.61 -1.33 0.00 0.00 177.39 176.21 2r28 n GLY 114 N 2.76 -1.87 0.00 -0.72 0.00 -1.26 -3.95 105.19 100.15 2r28 n GLY 114 Ca -0.01 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.71 2r28 n GLY 114 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2r28 n GLU 115 N -2.62 0.55 -3.38 1.61 4.07 -1.26 -4.93 120.64 114.67 2r28 n GLU 115 Ca -0.01 0.03 -0.29 0.00 -0.06 0.00 0.00 57.16 56.83 2r28 n GLU 115 Cb 0.21 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.12 2r28 n GLU 115 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2r28 n LYS 116 N -1.08 -1.97 -2.19 5.31 2.85 -1.25 -4.86 118.16 114.97 2r28 n LYS 116 Ca 0.14 1.51 -0.34 0.00 -1.05 0.00 0.00 58.31 58.56 2r28 n LYS 116 Cb 0.09 -3.03 -0.04 0.00 -0.65 0.00 0.00 35.03 31.41 2r28 n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2r28 s LEU 117 N -2.84 3.26 0.00 -5.58 1.02 -1.26 -4.93 118.68 108.35 2r28 s LEU 117 Ca 0.30 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 54.01 2r28 s LEU 117 Cb -0.04 -2.55 0.02 0.00 0.02 0.00 0.00 46.19 43.64 2r28 s LEU 117 CO 0.85 -2.32 0.17 1.07 0.02 0.00 0.00 176.35 176.14 2r28 n THR 118 N 7.32 0.00 0.00 5.49 5.66 -1.26 -4.48 114.28 127.01 2r28 n THR 118 Ca 0.28 -1.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.01 2r28 n THR 118 Cb 0.49 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 2r28 n THR 118 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2r28 n ASP 119 N -1.70 0.00 0.00 1.09 10.43 -1.26 -4.73 116.55 120.38 2r28 n ASP 119 Ca -0.04 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.35 2r28 n ASP 119 Cb 0.36 0.15 0.18 0.00 1.84 0.00 0.00 41.12 43.65 2r28 n ASP 119 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2r28 n GLU 120 N 0.45 0.17 0.00 -1.24 1.02 -1.26 -2.40 120.64 117.38 2r28 n GLU 120 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2r28 n GLU 120 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2r28 n GLU 120 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2r28 n GLU 121 N -1.09 0.00 -0.34 3.49 0.00 -1.26 0.05 120.64 121.49 2r28 n GLU 121 Ca 0.04 0.00 0.32 0.00 0.00 0.00 0.00 57.16 57.53 2r28 n GLU 121 Cb 0.03 -1.25 0.68 0.00 0.00 0.00 0.00 31.44 30.90 2r28 n GLU 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2r28 h VAL 122 N 0.00 0.41 -0.11 6.31 2.07 -1.70 0.84 116.25 124.07 2r28 h VAL 122 Ca 0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2r28 h VAL 122 Cb 0.00 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2r28 h VAL 122 CO 0.00 0.02 -0.03 0.44 0.02 0.00 0.00 177.57 178.02 2r28 h ASP 123 N 0.12 0.14 -0.05 0.57 5.19 -0.70 -2.14 116.42 119.56 2r28 h ASP 123 Ca 0.60 -0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.75 2r28 h ASP 123 Cb 2.11 -0.04 0.02 0.00 0.18 0.00 0.00 39.33 41.60 2r28 h ASP 123 CO -0.12 0.20 -0.92 -0.08 -3.12 0.00 0.00 179.24 175.20 2r28 h GLU 124 N 0.16 0.73 -0.55 3.56 4.57 -1.06 -0.61 114.58 121.38 2r28 h GLU 124 Ca 0.04 -0.70 0.03 0.00 -1.18 0.00 0.00 59.36 57.55 2r28 h GLU 124 Cb 0.16 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 2r28 h GLU 124 CO 0.01 1.29 0.32 1.98 -1.18 0.00 0.00 179.01 181.43 2r28 h MET 125 N 0.46 0.61 -0.04 1.92 4.05 -1.27 -2.07 114.93 118.59 2r28 h MET 125 Ca -0.09 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.30 2r28 h MET 125 Cb 1.57 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 32.22 2r28 h MET 125 CO 0.18 0.41 -0.00 0.82 0.23 0.00 0.00 176.91 178.55 2r28 h ILE 126 N 0.63 0.97 -0.88 1.77 1.08 -1.25 -3.05 117.51 116.78 2r28 h ILE 126 Ca 0.23 -0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.75 2r28 h ILE 126 Cb 0.06 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 2r28 h ILE 126 CO -0.12 0.00 0.56 -0.09 -0.69 0.00 0.00 178.15 177.82 2r28 h ARG 127 N 0.01 1.02 0.00 2.37 2.43 -0.82 -1.03 114.38 118.36 2r28 h ARG 127 Ca 0.02 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2r28 h ARG 127 Cb 0.02 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2r28 h ARG 127 CO -0.03 0.67 -0.18 0.93 -1.51 0.00 0.00 179.97 179.85 2r28 h GLU 128 N 1.05 0.00 0.00 0.20 5.08 -1.28 -2.36 114.58 117.26 2r28 h GLU 128 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2r28 h GLU 128 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2r28 h GLU 128 CO -0.15 0.18 -1.16 0.00 -1.00 0.00 0.00 179.01 176.88 2r28 n ALA 129 N -2.31 2.90 -1.60 3.43 0.00 -0.66 -4.83 120.51 117.43 2r28 n ALA 129 Ca -0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 2r28 n ALA 129 Cb 0.30 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 2r28 n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2r28 n ASP 130 N -2.32 3.54 -0.25 0.00 2.03 -0.48 -4.80 116.55 114.27 2r28 n ASP 130 Ca 0.00 -2.80 0.09 0.00 0.52 0.00 0.00 54.79 52.60 2r28 n ASP 130 Cb 0.51 -1.52 0.35 0.00 -0.72 0.00 0.00 41.12 39.73 2r28 n ASP 130 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2r28 h ILE 131 N 4.17 0.94 -0.19 5.18 1.08 -1.88 -1.44 117.51 125.36 2r28 h ILE 131 Ca 0.53 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.73 2r28 h ILE 131 Cb 0.65 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2r28 h ILE 131 CO 1.89 0.14 0.00 -0.90 -0.69 0.00 0.00 178.15 178.59 2r28 n ASP 132 N -4.52 2.19 -2.05 1.72 5.68 -1.26 -4.94 116.55 113.36 2r28 n ASP 132 Ca 0.15 -1.78 -0.21 0.00 -0.50 0.00 0.00 54.79 52.45 2r28 n ASP 132 Cb 0.34 -0.12 -0.04 0.00 -1.14 0.00 0.00 41.12 40.16 2r28 n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2r28 n GLY 133 N 1.24 0.58 0.43 6.12 0.00 -0.54 -4.91 105.19 108.12 2r28 n GLY 133 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 2r28 n GLY 133 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2r28 n ASP 134 N -1.72 1.29 0.00 1.61 5.75 -1.26 -4.91 116.55 117.30 2r28 n ASP 134 Ca -0.23 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 2r28 n ASP 134 Cb 0.68 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 2r28 n ASP 134 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r28 n GLY 135 N 1.02 0.60 3.43 6.12 0.00 -1.26 -5.01 105.19 110.09 2r28 n GLY 135 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2r28 n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2r28 s GLN 136 N -0.13 1.54 -0.34 1.61 -2.07 -1.26 -4.58 119.66 114.43 2r28 s GLN 136 Ca 0.00 -1.53 -0.07 0.00 -1.82 0.00 0.00 55.36 51.94 2r28 s GLN 136 Cb 0.00 0.39 0.04 0.00 -1.09 0.00 0.00 33.01 32.35 2r28 s GLN 136 CO 0.00 -0.60 0.12 0.08 -1.32 0.00 0.00 175.29 173.56 2r28 s VAL 137 N -3.80 3.87 0.88 3.63 1.01 0.09 -4.74 120.40 121.34 2r28 s VAL 137 Ca 0.30 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2r28 s VAL 137 Cb 0.02 -3.19 0.16 0.00 0.00 0.00 0.00 36.38 33.37 2r28 s VAL 137 CO 0.14 -0.18 1.23 0.54 0.00 0.00 0.00 175.10 176.83 2r28 s ASN 138 N 1.42 3.64 0.11 3.32 2.20 -1.26 -0.24 114.94 124.14 2r28 s ASN 138 Ca -0.01 0.29 -0.18 0.00 -0.94 0.00 0.00 52.86 52.01 2r28 s ASN 138 Cb -0.19 -0.50 -0.05 0.00 -2.00 0.00 0.00 41.25 38.50 2r28 s ASN 138 CO 0.03 -2.39 1.67 0.22 -2.94 0.00 0.00 177.10 173.69 2r28 h TYR 139 N -1.32 0.41 -0.95 1.54 3.20 -1.99 -1.45 116.97 116.41 2r28 h TYR 139 Ca -0.44 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.48 2r28 h TYR 139 Cb 1.26 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.34 2r28 h TYR 139 CO -0.66 0.39 0.60 0.93 -1.64 0.00 0.00 178.16 177.78 2r28 h GLU 140 N 0.31 1.05 -0.31 1.82 5.08 -1.95 0.69 114.58 121.26 2r28 h GLU 140 Ca 0.09 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2r28 h GLU 140 Cb 0.15 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2r28 h GLU 140 CO -0.01 0.69 -0.37 0.93 -1.00 0.00 0.00 179.01 179.25 2r28 h GLU 141 N 1.08 0.70 -0.48 2.33 5.08 -1.85 -0.30 114.58 121.15 2r28 h GLU 141 Ca 0.42 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2r28 h GLU 141 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2r28 h GLU 141 CO -0.18 0.96 0.09 0.35 -1.00 0.00 0.00 179.01 179.23 2r28 h PHE 142 N 0.58 0.82 -0.09 4.33 3.04 -0.33 0.30 116.94 125.59 2r28 h PHE 142 Ca 0.06 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.90 2r28 h PHE 142 Cb 0.90 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 2r28 h PHE 142 CO 0.04 0.76 0.05 0.28 -2.02 0.00 0.00 178.31 177.42 2r28 h VAL 143 N 0.65 1.01 -0.19 1.41 2.07 -0.80 -1.74 116.25 118.65 2r28 h VAL 143 Ca 0.15 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.65 2r28 h VAL 143 Cb 0.37 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2r28 h VAL 143 CO 0.01 0.02 0.08 -0.61 0.02 0.00 0.00 177.57 177.08 2r28 h GLN 144 N 0.11 0.17 -0.96 1.57 -0.00 -0.85 0.57 115.11 115.71 2r28 h GLN 144 Ca 0.03 -0.01 0.19 0.00 -0.00 0.00 0.00 58.65 58.86 2r28 h GLN 144 Cb -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 27.48 27.35 2r28 h GLN 144 CO -0.02 0.11 0.61 1.98 0.00 0.00 0.00 178.83 181.51 2r28 h MET 145 N 0.17 0.63 0.00 1.69 4.05 -0.53 -1.91 114.93 119.03 2r28 h MET 145 Ca 0.08 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2r28 h MET 145 Cb 0.04 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 2r28 h MET 145 CO -0.07 0.42 -1.27 -1.33 0.23 0.00 0.00 176.91 174.89 2r28 n MET 146 N -4.64 0.62 0.00 0.39 2.81 -0.58 -3.92 117.12 111.80 2r28 n MET 146 Ca 0.21 0.12 0.12 0.00 -1.81 0.00 0.00 57.70 56.34 2r28 n MET 146 Cb 0.59 -1.78 0.27 0.00 -0.71 0.00 0.00 33.22 31.59 2r28 n MET 146 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2r28 n THR 147 N -2.70 0.00 -0.20 2.03 -1.04 0.19 -5.08 114.28 107.48 2r28 n THR 147 Ca -0.04 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2r28 n THR 147 Cb 0.66 0.53 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 2r28 n THR 147 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43