#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r28 n GLU 7 N 0.00 0.00 -0.03 -0.78 0.28 -1.26 -4.04 120.64 114.80 2r28 n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2r28 n GLU 7 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 2r28 n GLU 7 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2r28 n GLU 8 N -0.86 1.15 -0.30 3.44 4.71 -1.26 -2.65 120.64 124.87 2r28 n GLU 8 Ca 0.00 -0.13 0.17 0.00 -0.01 0.00 0.00 57.16 57.19 2r28 n GLU 8 Cb 0.00 -1.47 0.43 0.00 -1.01 0.00 0.00 31.44 29.39 2r28 n GLU 8 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2r28 h GLN 9 N 0.17 0.55 -0.20 3.49 4.20 -2.00 -3.10 115.11 118.23 2r28 h GLN 9 Ca 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2r28 h GLN 9 Cb 0.50 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2r28 h GLN 9 CO 0.02 0.36 0.02 0.82 -0.67 0.00 0.00 178.83 179.38 2r28 h ILE 10 N 0.57 1.23 -0.87 2.54 1.08 -1.73 0.68 117.51 121.00 2r28 h ILE 10 Ca 0.53 -0.78 0.13 0.00 -0.39 0.00 0.00 64.86 64.34 2r28 h ILE 10 Cb 1.08 1.37 -0.07 0.00 -3.07 0.00 0.00 36.82 36.13 2r28 h ILE 10 CO -0.27 0.24 0.56 0.00 -0.69 0.00 0.00 178.15 177.99 2r28 h ALA 11 N 0.82 1.79 -0.15 1.87 0.00 -1.83 0.17 119.26 121.92 2r28 h ALA 11 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2r28 h ALA 11 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2r28 h ALA 11 CO 0.01 -0.01 -0.07 0.93 0.00 0.00 0.00 179.25 180.11 2r28 h GLU 12 N 0.73 0.32 -0.37 0.00 5.08 -1.20 0.43 114.58 119.56 2r28 h GLU 12 Ca 0.43 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.72 2r28 h GLU 12 Cb 0.62 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 2r28 h GLU 12 CO -0.19 0.64 -0.06 0.74 -1.00 0.00 0.00 179.01 179.14 2r28 h PHE 13 N -0.01 -0.14 -0.39 4.33 0.05 0.10 -1.43 116.94 119.45 2r28 h PHE 13 Ca 0.03 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.77 2r28 h PHE 13 Cb 0.54 0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.59 2r28 h PHE 13 CO 0.06 -0.13 -0.10 0.87 -0.18 0.00 0.00 178.31 178.83 2r28 h LYS 14 N 0.03 0.69 -0.38 1.51 1.57 -0.55 0.17 116.57 119.61 2r28 h LYS 14 Ca 0.18 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2r28 h LYS 14 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2r28 h LYS 14 CO -0.36 0.78 0.15 1.49 -0.57 0.00 0.00 179.45 180.94 2r28 h GLU 15 N 0.63 0.57 -0.17 3.15 4.57 -0.67 -0.24 114.58 122.41 2r28 h GLU 15 Ca 0.11 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2r28 h GLU 15 Cb 0.55 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2r28 h GLU 15 CO 0.03 0.55 -0.02 0.00 -1.18 0.00 0.00 179.01 178.39 2r28 h ALA 16 N 1.00 0.24 -0.48 2.92 0.00 -1.08 -2.51 119.26 119.34 2r28 h ALA 16 Ca 0.13 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2r28 h ALA 16 Cb 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 2r28 h ALA 16 CO -0.01 -0.03 0.02 0.35 0.00 0.00 0.00 179.25 179.59 2r28 h PHE 17 N 0.05 0.02 0.00 0.00 3.04 -0.86 -2.48 116.94 116.70 2r28 h PHE 17 Ca 0.05 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 2r28 h PHE 17 Cb 0.43 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.01 2r28 h PHE 17 CO 0.04 -0.08 -0.02 0.66 -2.02 0.00 0.00 178.31 176.89 2r28 h SER 18 N 0.14 0.00 -0.06 0.41 4.64 -0.75 -0.30 113.55 117.63 2r28 h SER 18 Ca 0.24 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2r28 h SER 18 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2r28 h SER 18 CO -0.38 0.02 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.20 2r28 h LEU 19 N 0.00 0.56 0.11 5.97 3.38 -1.02 -3.31 115.31 121.00 2r28 h LEU 19 Ca -0.00 -0.22 -0.30 0.00 0.09 0.00 0.00 57.88 57.45 2r28 h LEU 19 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2r28 h LEU 19 CO 0.00 0.86 -1.58 -0.26 0.09 0.00 0.00 178.44 177.55 2r28 h PHE 20 N 0.46 0.41 -0.31 1.13 0.04 -1.35 -3.41 116.94 113.91 2r28 h PHE 20 Ca 0.05 -0.30 -0.46 0.00 2.80 0.00 0.00 57.97 60.06 2r28 h PHE 20 Cb 0.80 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 2r28 h PHE 20 CO 0.03 1.62 1.57 -3.47 -0.60 0.00 0.00 178.31 177.46 2r28 n ASP 21 N -3.85 2.95 -0.30 2.17 4.64 -0.20 -4.63 116.55 117.32 2r28 n ASP 21 Ca -0.28 -2.70 -0.05 0.00 -1.38 0.00 0.00 54.79 50.38 2r28 n ASP 21 Cb 0.92 -1.51 0.07 0.00 -1.04 0.00 0.00 41.12 39.56 2r28 n ASP 21 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2r28 h LYS 22 N 8.95 1.17 -0.08 -0.67 1.57 -1.80 -2.23 116.57 123.48 2r28 h LYS 22 Ca 0.30 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2r28 h LYS 22 Cb 0.84 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2r28 h LYS 22 CO 1.50 0.88 0.00 -0.40 -0.57 0.00 0.00 179.45 180.87 2r28 n ASP 23 N -4.36 1.77 -1.73 0.86 3.85 -1.26 -4.97 116.55 110.70 2r28 n ASP 23 Ca 0.08 -1.63 -0.17 0.00 -0.71 0.00 0.00 54.79 52.37 2r28 n ASP 23 Cb 0.12 -0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 39.82 2r28 n ASP 23 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2r28 n GLY 24 N 1.19 0.23 0.10 6.12 0.00 -0.84 -4.91 105.19 107.08 2r28 n GLY 24 Ca 0.18 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2r28 n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2r28 n ASP 25 N -1.06 0.40 0.00 1.61 5.75 -1.26 -4.92 116.55 117.07 2r28 n ASP 25 Ca -0.19 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 2r28 n ASP 25 Cb 0.62 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2r28 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r28 n GLY 26 N 1.25 0.76 3.16 6.12 0.00 -1.26 -5.07 105.19 110.14 2r28 n GLY 26 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.25 0.93 -0.18 2.61 -4.23 -1.26 -4.38 115.64 106.87 2r28 s THR 27 Ca 0.00 -1.47 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 2r28 s THR 27 Cb 0.00 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.65 2r28 s THR 27 CO 0.00 -0.45 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.93 2r28 s ILE 28 N -1.99 3.36 0.42 2.99 1.01 0.23 -4.71 121.20 122.51 2r28 s ILE 28 Ca 0.01 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2r28 s ILE 28 Cb -0.06 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.94 2r28 s ILE 28 CO 0.01 0.47 0.60 0.42 0.00 0.00 0.00 174.94 176.44 2r28 s THR 29 N 0.86 3.65 0.29 2.92 -4.23 -1.26 -0.28 115.64 117.60 2r28 s THR 29 Ca -0.02 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 2r28 s THR 29 Cb -0.15 -3.30 0.28 0.00 1.34 0.00 0.00 72.50 70.68 2r28 s THR 29 CO 0.01 -0.16 1.88 0.71 -0.54 0.00 0.00 174.62 176.52 2r28 h THR 30 N 0.56 1.00 -0.33 3.99 1.35 -1.92 -0.91 112.91 116.66 2r28 h THR 30 Ca -0.44 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 2r28 h THR 30 Cb 1.27 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 2r28 h THR 30 CO 0.53 0.19 0.16 0.50 -0.25 0.00 0.00 175.52 176.64 2r28 h LYS 31 N 1.01 0.48 -0.60 4.72 3.64 -1.98 -1.47 116.57 122.37 2r28 h LYS 31 Ca 0.44 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2r28 h LYS 31 Cb 0.33 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2r28 h LYS 31 CO -0.19 0.45 0.15 0.93 -2.27 0.00 0.00 179.45 178.52 2r28 h GLU 32 N 0.40 0.95 -0.47 1.90 5.08 -1.76 -2.37 114.58 118.31 2r28 h GLU 32 Ca 0.11 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2r28 h GLU 32 Cb 0.13 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2r28 h GLU 32 CO -0.01 0.87 0.13 1.25 -1.00 0.00 0.00 179.01 180.25 2r28 h LEU 33 N 0.87 0.09 0.30 1.33 6.46 -1.01 -2.53 115.31 120.82 2r28 h LEU 33 Ca 0.19 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2r28 h LEU 33 Cb 0.34 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2r28 h LEU 33 CO 0.00 0.08 -0.29 1.23 -0.62 0.00 0.00 178.44 178.85 2r28 h GLY 34 N 0.29 -0.66 -0.30 3.75 0.00 -1.05 -0.43 103.07 104.67 2r28 h GLY 34 Ca 0.23 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.93 2r28 h GLY 34 CO -0.26 -0.26 -0.54 -0.84 0.00 0.00 0.00 176.54 174.64 2r28 h THR 35 N -0.62 0.01 -0.98 4.70 2.02 -1.32 -0.21 112.91 116.51 2r28 h THR 35 Ca -0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.20 2r28 h THR 35 Cb 0.56 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 2r28 h THR 35 CO -0.05 0.00 0.64 0.58 0.37 0.00 0.00 175.52 177.06 2r28 h VAL 36 N -0.46 1.18 -0.68 3.16 2.07 -1.39 -2.60 116.25 117.53 2r28 h VAL 36 Ca 0.07 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2r28 h VAL 36 Cb 0.63 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2r28 h VAL 36 CO -0.54 0.23 0.41 -0.03 0.02 0.00 0.00 177.57 177.66 2r28 h MET 37 N 1.24 0.93 -0.29 1.57 -1.53 -0.36 -2.17 114.93 114.32 2r28 h MET 37 Ca 0.39 -0.08 -0.02 0.00 -3.44 0.00 0.00 59.70 56.54 2r28 h MET 37 Cb -0.01 -0.19 -0.02 0.00 -0.55 0.00 0.00 31.60 30.83 2r28 h MET 37 CO -0.12 0.66 0.08 0.00 0.14 0.00 0.00 176.91 177.67 2r28 h ARG 38 N 0.93 0.42 -0.36 0.39 3.08 -0.73 -1.48 114.38 116.64 2r28 h ARG 38 Ca 0.25 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.25 2r28 h ARG 38 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2r28 h ARG 38 CO -0.05 0.38 0.24 0.77 -1.07 0.00 0.00 179.97 180.25 2r28 h SER 39 N 0.42 0.37 -0.16 7.04 0.02 -1.04 -2.69 113.55 117.51 2r28 h SER 39 Ca 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2r28 h SER 39 Cb 0.15 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2r28 h SER 39 CO -0.01 0.26 0.00 0.18 -1.14 0.00 0.00 176.83 176.13 2r28 n LEU 40 N -4.49 2.03 0.00 5.07 4.77 -0.61 -4.85 117.00 118.93 2r28 n LEU 40 Ca 0.03 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2r28 n LEU 40 Cb 0.10 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2r28 n LEU 40 CO 0.35 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2r28 n GLY 41 N 0.27 2.83 3.81 -0.72 0.00 -1.02 -5.02 105.19 105.35 2r28 n GLY 41 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.07 2.23 -0.40 1.61 -1.52 -0.89 -4.97 119.66 115.64 2r28 s GLN 42 Ca 0.00 0.65 0.07 0.00 -1.95 0.00 0.00 55.36 54.14 2r28 s GLN 42 Cb 0.00 -1.93 0.24 0.00 -0.22 0.00 0.00 33.01 31.09 2r28 s GLN 42 CO 0.00 -1.52 0.53 -1.71 -0.25 0.00 0.00 175.29 172.34 2r28 n ASN 43 N -3.37 -0.29 -4.77 5.90 4.05 -1.26 -3.86 115.26 111.66 2r28 n ASN 43 Ca 0.07 -2.70 -0.37 0.00 0.45 0.00 0.00 54.58 52.02 2r28 n ASN 43 Cb 0.56 -0.35 -0.03 0.00 1.23 0.00 0.00 39.78 41.19 2r28 n ASN 43 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2r28 s PRO 44 N -0.78 4.08 0.72 1.20 0.04 -1.26 -5.04 135.00 133.96 2r28 s PRO 44 Ca 0.34 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2r28 s PRO 44 Cb 0.15 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 32.10 2r28 s PRO 44 CO -0.14 -0.26 1.07 -0.08 0.04 0.00 0.00 177.00 177.64 2r28 s THR 45 N -1.51 3.79 0.28 1.26 -1.32 -1.26 -4.89 115.64 111.99 2r28 s THR 45 Ca 0.58 0.58 0.01 0.00 -1.21 0.00 0.00 61.69 61.65 2r28 s THR 45 Cb -0.27 -3.37 0.28 0.00 -1.51 0.00 0.00 72.50 67.64 2r28 s THR 45 CO 0.34 -0.76 1.84 -0.08 -2.21 0.00 0.00 174.62 173.75 2r28 h GLU 46 N -0.78 0.97 -0.41 7.08 4.57 -1.99 -2.00 114.58 122.03 2r28 h GLU 46 Ca -0.45 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2r28 h GLU 46 Cb 1.23 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2r28 h GLU 46 CO 0.59 0.64 0.26 0.00 -1.18 0.00 0.00 179.01 179.32 2r28 h ALA 47 N 1.54 0.52 -0.50 2.92 0.00 -1.99 -1.37 119.26 120.37 2r28 h ALA 47 Ca 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2r28 h ALA 47 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2r28 h ALA 47 CO -0.25 -0.04 0.22 1.49 0.00 0.00 0.00 179.25 180.66 2r28 h GLU 48 N 0.53 0.73 -0.62 0.00 4.81 -1.84 -1.79 114.58 116.41 2r28 h GLU 48 Ca 0.15 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2r28 h GLU 48 Cb -0.05 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 2r28 h GLU 48 CO -0.04 0.63 0.24 -0.07 -0.73 0.00 0.00 179.01 179.04 2r28 h LEU 49 N 0.66 0.86 -1.09 1.64 3.38 -1.22 -1.67 115.31 117.88 2r28 h LEU 49 Ca 0.17 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2r28 h LEU 49 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2r28 h LEU 49 CO -0.02 0.81 0.20 1.56 0.09 0.00 0.00 178.44 181.08 2r28 h GLN 50 N 0.87 0.85 -0.36 1.13 1.08 -0.96 -1.97 115.11 115.74 2r28 h GLN 50 Ca 0.21 -0.14 -0.15 0.00 -1.45 0.00 0.00 58.65 57.11 2r28 h GLN 50 Cb 0.22 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2r28 h GLN 50 CO -0.01 0.72 -0.39 0.22 -0.95 0.00 0.00 178.83 178.41 2r28 h ASP 51 N 0.83 0.93 -0.72 1.46 1.82 -0.78 0.26 116.42 120.21 2r28 h ASP 51 Ca 0.19 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.40 2r28 h ASP 51 Cb 0.21 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 2r28 h ASP 51 CO -0.01 1.20 0.42 0.24 -1.61 0.00 0.00 179.24 179.48 2r28 h MET 52 N 0.71 0.99 -0.20 0.28 2.86 -0.84 0.49 114.93 119.22 2r28 h MET 52 Ca 0.06 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2r28 h MET 52 Cb 0.97 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2r28 h MET 52 CO 0.09 0.71 -0.02 0.82 1.06 0.00 0.00 176.91 179.57 2r28 h ILE 53 N 0.99 1.27 -0.45 -1.22 2.04 -1.18 -3.26 117.51 115.70 2r28 h ILE 53 Ca 0.26 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2r28 h ILE 53 Cb -0.01 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2r28 h ILE 53 CO -0.05 0.29 0.28 0.78 0.00 0.00 0.00 178.15 179.45 2r28 h ASN 54 N 0.11 0.53 0.21 1.72 2.35 0.33 0.07 115.58 120.90 2r28 h ASN 54 Ca 0.05 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2r28 h ASN 54 Cb 0.44 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2r28 h ASN 54 CO 0.01 0.41 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.75 2r28 h GLU 55 N 0.62 0.00 -0.00 0.81 5.08 -0.97 -3.10 114.58 117.01 2r28 h GLU 55 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2r28 h GLU 55 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2r28 h GLU 55 CO -0.03 0.12 -0.17 1.33 -1.00 0.00 0.00 179.01 179.26 2r28 n VAL 56 N -4.01 0.00 -2.20 3.13 0.24 -0.71 -4.92 118.33 109.86 2r28 n VAL 56 Ca -0.02 -0.41 -0.40 0.00 -2.04 0.00 0.00 64.34 61.46 2r28 n VAL 56 Cb 0.21 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.60 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 -0.75 4.23 0.05 -1.34 4.64 -0.07 -4.74 116.55 118.56 2r28 n ASP 57 Ca 0.02 -2.85 -0.01 0.00 -1.38 0.00 0.00 54.79 50.57 2r28 n ASP 57 Cb 0.09 -1.68 0.29 0.00 -1.04 0.00 0.00 41.12 38.78 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 7.56 1.30 -0.00 -1.67 0.00 -1.89 -1.96 119.26 122.60 2r28 h ALA 58 Ca 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2r28 h ALA 58 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2r28 h ALA 58 CO 1.56 0.47 -0.35 -0.40 0.00 0.00 0.00 179.25 180.53 2r28 n ASP 59 N -4.21 0.59 -0.29 0.00 5.68 -1.26 -4.95 116.55 112.10 2r28 n ASP 59 Ca 0.00 -0.38 -0.03 0.00 -0.50 0.00 0.00 54.79 53.88 2r28 n ASP 59 Cb 0.32 0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.40 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 1.43 0.55 1.19 6.12 0.00 -0.74 -4.93 105.19 108.83 2r28 n GLY 60 Ca 0.08 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 1.42 3.47 0.00 1.61 6.94 -1.26 -4.96 115.26 122.48 2r28 n ASN 61 Ca -0.04 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 2r28 n ASN 61 Cb 0.21 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 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 1.48 1.30 3.26 4.83 0.00 -1.26 -5.00 105.19 109.80 2r28 n GLY 62 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.76 1.05 -0.25 2.61 -4.23 -1.26 -4.59 115.64 105.21 2r28 s THR 63 Ca 0.00 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.34 2r28 s THR 63 Cb 0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 2r28 s THR 63 CO 0.00 -0.63 0.27 -0.63 -0.54 0.00 0.00 174.62 173.09 2r28 s ILE 64 N -3.40 5.27 0.29 2.99 1.01 0.62 -4.84 121.20 123.13 2r28 s ILE 64 Ca 0.20 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2r28 s ILE 64 Cb 0.04 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.96 2r28 s ILE 64 CO 0.02 0.26 0.39 -0.90 0.00 0.00 0.00 174.94 174.71 2r28 n ASP 65 N 4.77 0.57 0.15 3.58 5.68 -1.26 0.75 116.55 130.78 2r28 n ASP 65 Ca -0.12 -1.47 -0.14 0.00 -0.50 0.00 0.00 54.79 52.57 2r28 n ASP 65 Cb 0.51 -0.25 -0.08 0.00 -1.14 0.00 0.00 41.12 40.17 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 -0.42 -0.29 -0.28 2.11 3.57 -2.00 0.54 116.94 120.17 2r28 h PHE 66 Ca -0.13 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 2r28 h PHE 66 Cb 0.49 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2r28 h PHE 66 CO 0.00 -0.12 0.02 -1.00 -2.23 0.00 0.00 178.31 174.97 2r28 h PRO 67 N -0.39 0.41 -0.51 6.41 0.13 -1.98 0.51 132.00 136.58 2r28 h PRO 67 Ca -0.03 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 2r28 h PRO 67 Cb 0.30 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 2r28 h PRO 67 CO 0.05 0.43 -0.17 0.93 -0.23 0.00 0.00 178.00 179.02 2r28 h GLU 68 N 0.40 1.00 -0.47 0.86 5.08 -1.82 -1.92 114.58 117.71 2r28 h GLU 68 Ca 0.09 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2r28 h GLU 68 Cb 0.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2r28 h GLU 68 CO 0.00 1.07 0.18 0.35 -1.00 0.00 0.00 179.01 179.61 2r28 h PHE 69 N 0.87 0.73 -0.56 4.33 3.57 -0.31 0.60 116.94 126.17 2r28 h PHE 69 Ca 0.12 -0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.67 2r28 h PHE 69 Cb 0.73 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 2r28 h PHE 69 CO 0.05 0.63 0.07 -0.07 -2.23 0.00 0.00 178.31 176.75 2r28 h LEU 70 N 0.62 -0.10 -0.43 0.59 4.07 -0.82 0.15 115.31 119.39 2r28 h LEU 70 Ca 0.16 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 2r28 h LEU 70 Cb 0.22 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 2r28 h LEU 70 CO -0.01 -0.03 0.24 0.74 -1.08 0.00 0.00 178.44 178.29 2r28 h THR 71 N 0.19 1.16 -0.35 0.22 2.02 -0.86 -0.02 112.91 115.27 2r28 h THR 71 Ca 0.29 -0.40 0.06 0.00 0.77 0.00 0.00 66.41 67.13 2r28 h THR 71 Cb 0.44 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2r28 h THR 71 CO -0.42 0.16 0.03 -0.03 0.37 0.00 0.00 175.52 175.63 2r28 h MET 72 N 0.56 0.13 -0.28 6.66 1.85 -0.32 -1.10 114.93 122.42 2r28 h MET 72 Ca 0.15 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 2r28 h MET 72 Cb 0.05 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.04 2r28 h MET 72 CO -0.02 0.08 0.13 0.52 -0.40 0.00 0.00 176.91 177.22 2r28 h MET 73 N 0.13 0.41 -0.48 0.39 2.07 -0.42 0.13 114.93 117.15 2r28 h MET 73 Ca 0.17 -0.06 0.10 0.00 -2.07 0.00 0.00 59.70 57.84 2r28 h MET 73 Cb 0.22 -0.07 -0.10 0.00 -1.87 0.00 0.00 31.60 29.78 2r28 h MET 73 CO -0.26 0.39 -0.17 0.00 1.07 0.00 0.00 176.91 177.94 2r28 h ALA 74 N 0.99 0.22 -0.35 6.32 0.00 -0.82 0.28 119.26 125.90 2r28 h ALA 74 Ca 0.10 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2r28 h ALA 74 Cb 0.12 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2r28 h ALA 74 CO -0.01 -0.50 -0.26 0.00 0.00 0.00 0.00 179.25 178.47 2r28 h ARG 75 N -0.06 0.80 -0.45 0.00 3.08 -1.07 -2.46 114.38 114.22 2r28 h ARG 75 Ca 0.23 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 2r28 h ARG 75 Cb 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2r28 h ARG 75 CO -0.53 1.02 -0.27 0.87 -1.07 0.00 0.00 179.97 179.99 2r28 h LYS 76 N 0.59 0.98 0.03 0.04 1.79 -0.58 -1.53 116.57 117.90 2r28 h LYS 76 Ca 0.07 -0.45 -0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2r28 h LYS 76 Cb 0.83 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 2r28 h LYS 76 CO 0.07 1.12 -0.02 0.52 -1.08 0.00 0.00 179.45 180.06 2r28 h MET 77 N 0.82 -0.04 -0.93 3.15 2.86 -0.46 0.22 114.93 120.55 2r28 h MET 77 Ca 0.09 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2r28 h MET 77 Cb 0.86 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.47 2r28 h MET 77 CO 0.08 0.04 0.60 -0.22 1.06 0.00 0.00 176.91 178.47 2r28 h LYS 78 N -0.12 1.13 -0.25 1.72 3.64 -1.45 0.86 116.57 122.11 2r28 h LYS 78 Ca -0.00 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 2r28 h LYS 78 Cb 0.11 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2r28 h LYS 78 CO 0.01 0.75 -0.44 -0.44 -2.27 0.00 0.00 179.45 177.06 2r28 h ASP 79 N 1.17 0.81 -0.41 4.20 3.45 -1.07 -1.50 116.42 123.07 2r28 h ASP 79 Ca 0.37 -0.53 -0.12 0.00 0.43 0.00 0.00 57.03 57.17 2r28 h ASP 79 Cb 0.01 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 2r28 h ASP 79 CO -0.12 1.19 -0.23 0.74 -1.57 0.00 0.00 179.24 179.25 2r28 h THR 80 N 0.47 1.28 0.35 0.35 2.02 -0.39 -0.47 112.91 116.52 2r28 h THR 80 Ca 0.02 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 2r28 h THR 80 Cb 1.04 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2r28 h THR 80 CO 0.10 0.46 -0.17 0.44 0.37 0.00 0.00 175.52 176.72 2r28 h ASP 81 N 0.70 -0.40 0.15 4.18 3.45 -0.82 -1.71 116.42 121.97 2r28 h ASP 81 Ca 0.09 -0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.53 2r28 h ASP 81 Cb 0.80 0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.65 2r28 h ASP 81 CO 0.07 -0.23 -0.22 -1.28 -1.57 0.00 0.00 179.24 176.00 2r28 h SER 82 N -0.54 -0.61 -0.54 6.45 0.87 -1.23 0.03 113.55 117.97 2r28 h SER 82 Ca -0.05 0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.68 2r28 h SER 82 Cb 0.41 0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 62.51 2r28 h SER 82 CO 0.08 -0.31 0.08 1.05 -0.53 0.00 0.00 176.83 177.20 2r28 h GLU 83 N -0.43 0.20 -0.78 2.24 4.11 -1.06 -1.44 114.58 117.42 2r28 h GLU 83 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 2r28 h GLU 83 Cb 0.44 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2r28 h GLU 83 CO -0.10 0.13 0.38 1.49 0.07 0.00 0.00 179.01 180.98 2r28 h GLU 84 N 0.21 1.12 -0.02 1.06 4.81 -1.10 0.12 114.58 120.78 2r28 h GLU 84 Ca 0.28 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 2r28 h GLU 84 Cb 0.41 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2r28 h GLU 84 CO -0.39 0.86 -0.76 1.05 -0.73 0.00 0.00 179.01 179.04 2r28 h GLU 85 N 1.10 0.15 -0.03 1.92 4.11 -0.55 -0.55 114.58 120.73 2r28 h GLU 85 Ca 0.27 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 2r28 h GLU 85 Cb 0.11 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2r28 h GLU 85 CO -0.03 0.84 0.01 0.82 0.07 0.00 0.00 179.01 180.71 2r28 h ILE 86 N 0.09 1.15 -0.95 -1.06 2.04 -1.04 0.05 117.51 117.80 2r28 h ILE 86 Ca -0.02 -0.45 0.11 0.00 1.00 0.00 0.00 64.86 65.50 2r28 h ILE 86 Cb 1.33 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.73 2r28 h ILE 86 CO 0.11 0.12 0.58 -0.09 0.00 0.00 0.00 178.15 178.88 2r28 h ARG 87 N -0.13 0.91 -0.17 2.37 2.43 -0.94 -0.07 114.38 118.78 2r28 h ARG 87 Ca 0.01 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 2r28 h ARG 87 Cb 0.19 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2r28 h ARG 87 CO -0.00 0.60 -0.54 1.49 -1.51 0.00 0.00 179.97 180.01 2r28 h GLU 88 N 0.93 0.66 -0.88 0.20 4.57 -0.83 -1.66 114.58 117.58 2r28 h GLU 88 Ca 0.47 -0.49 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2r28 h GLU 88 Cb 0.45 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 2r28 h GLU 88 CO -0.26 1.11 0.46 0.00 -1.18 0.00 0.00 179.01 179.14 2r28 h ALA 89 N 0.55 1.15 -0.83 2.92 0.00 -0.60 -0.92 119.26 121.53 2r28 h ALA 89 Ca -0.02 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2r28 h ALA 89 Cb 1.17 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2r28 h ALA 89 CO 0.12 0.67 0.54 0.35 0.00 0.00 0.00 179.25 180.92 2r28 h PHE 90 N 1.24 1.01 -0.60 0.00 3.57 -0.86 -1.91 116.94 119.40 2r28 h PHE 90 Ca 0.31 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 2r28 h PHE 90 Cb 0.06 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 2r28 h PHE 90 CO 0.01 0.59 0.23 -0.09 -2.23 0.00 0.00 178.31 176.82 2r28 h ARG 91 N 1.06 0.88 -0.15 1.11 2.43 -0.72 0.20 114.38 119.19 2r28 h ARG 91 Ca 0.33 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2r28 h ARG 91 Cb -0.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2r28 h ARG 91 CO -0.10 0.73 0.04 0.28 -1.51 0.00 0.00 179.97 179.40 2r28 h VAL 92 N 0.86 0.95 -0.29 0.20 2.07 -0.59 -3.14 116.25 116.31 2r28 h VAL 92 Ca 0.20 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.58 2r28 h VAL 92 Cb 0.19 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2r28 h VAL 92 CO -0.02 0.02 -0.21 -0.26 0.02 0.00 0.00 177.57 177.12 2r28 h PHE 93 N 0.11 0.78 0.00 1.57 0.04 -0.93 -3.36 116.94 115.14 2r28 h PHE 93 Ca 0.06 -0.21 -0.62 0.00 2.80 0.00 0.00 57.97 60.00 2r28 h PHE 93 Cb 0.04 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 38.04 2r28 h PHE 93 CO -0.12 0.92 3.36 -3.47 -0.60 0.00 0.00 178.31 178.41 2r28 n ASP 94 N -4.34 6.58 0.22 2.17 4.64 0.67 -4.73 116.55 121.77 2r28 n ASP 94 Ca -0.03 -2.58 0.08 0.00 -1.38 0.00 0.00 54.79 50.87 2r28 n ASP 94 Cb 0.42 -1.46 0.52 0.00 -1.04 0.00 0.00 41.12 39.56 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 5.66 0.00 -0.01 -0.67 1.57 -1.73 -0.11 116.57 121.29 2r28 h LYS 95 Ca 0.71 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.49 2r28 h LYS 95 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2r28 h LYS 95 CO 1.75 0.25 -0.00 -0.40 -0.57 0.00 0.00 179.45 180.48 2r28 n ASP 96 N -3.70 0.69 -1.08 0.86 5.68 -1.26 -4.94 116.55 112.79 2r28 n ASP 96 Ca -0.01 -1.21 -0.14 0.00 -0.50 0.00 0.00 54.79 52.93 2r28 n ASP 96 Cb 0.36 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.28 2r28 n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2r28 n GLY 97 N 1.09 1.46 0.34 6.12 0.00 -0.05 -4.89 105.19 109.26 2r28 n GLY 97 Ca 0.21 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.38 1.06 0.00 1.61 2.04 -1.26 -4.91 115.26 113.43 2r28 n ASN 98 Ca -0.14 -1.39 0.00 0.00 -0.44 0.00 0.00 54.58 52.61 2r28 n ASN 98 Cb 0.48 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.71 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 1.11 0.71 2.90 4.83 0.00 -1.26 -5.04 105.19 108.43 2r28 n GLY 99 Ca 0.20 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 0.23 -0.36 1.61 2.02 -1.26 -4.07 117.35 113.52 2r28 s TYR 100 Ca 0.00 -0.04 -0.17 0.00 -0.37 0.00 0.00 57.07 56.49 2r28 s TYR 100 Cb 0.00 -0.17 -0.00 0.00 -0.40 0.00 0.00 41.96 41.39 2r28 s TYR 100 CO 0.00 -0.02 0.46 0.42 -1.57 0.00 0.00 175.55 174.84 2r28 s ILE 101 N 0.05 5.07 0.60 2.71 1.01 0.11 -4.79 121.20 125.96 2r28 s ILE 101 Ca -0.00 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.72 2r28 s ILE 101 Cb -0.02 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 2r28 s ILE 101 CO -0.00 -0.21 0.97 -0.94 0.00 0.00 0.00 174.94 174.76 2r28 s SER 102 N 1.76 6.01 0.29 3.58 1.04 -1.26 -0.66 113.70 124.47 2r28 s SER 102 Ca 0.16 1.16 0.04 0.00 0.48 0.00 0.00 55.95 57.78 2r28 s SER 102 Cb -0.16 -2.22 0.67 0.00 0.10 0.00 0.00 66.02 64.41 2r28 s SER 102 CO 0.13 -0.91 1.78 0.00 0.98 0.00 0.00 173.24 175.22 2r28 h ALA 103 N -0.23 1.55 -0.34 5.32 0.00 -1.92 -1.54 119.26 122.10 2r28 h ALA 103 Ca -0.45 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2r28 h ALA 103 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2r28 h ALA 103 CO 0.62 -0.03 0.13 0.00 0.00 0.00 0.00 179.25 179.96 2r28 h ALA 104 N 1.62 0.45 -0.37 0.00 0.00 -1.99 0.17 119.26 119.13 2r28 h ALA 104 Ca 0.54 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2r28 h ALA 104 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2r28 h ALA 104 CO -0.37 0.06 0.23 0.93 0.00 0.00 0.00 179.25 180.10 2r28 h GLU 105 N 0.40 0.50 -0.14 0.00 5.08 -1.78 -1.35 114.58 117.30 2r28 h GLU 105 Ca 0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2r28 h GLU 105 Cb 0.21 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2r28 h GLU 105 CO -0.01 0.36 0.08 1.25 -1.00 0.00 0.00 179.01 179.70 2r28 h LEU 106 N 0.49 0.17 -0.33 1.33 5.85 -1.05 -2.10 115.31 119.67 2r28 h LEU 106 Ca 0.13 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2r28 h LEU 106 Cb -0.01 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2r28 h LEU 106 CO -0.03 0.19 0.03 -0.09 -0.34 0.00 0.00 178.44 178.20 2r28 h ARG 107 N 0.14 0.13 0.46 1.25 2.43 -0.80 0.23 114.38 118.22 2r28 h ARG 107 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2r28 h ARG 107 Cb 0.05 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2r28 h ARG 107 CO -0.01 0.08 -0.43 1.25 -1.51 0.00 0.00 179.97 179.36 2r28 h HIS 108 N 0.13 -1.18 -0.19 2.20 2.76 -1.01 -0.18 115.15 117.67 2r28 h HIS 108 Ca 0.16 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 2r28 h HIS 108 Cb 0.20 0.46 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 2r28 h HIS 108 CO -0.21 -0.58 -0.11 0.28 -1.30 0.00 0.00 177.93 176.01 2r28 h VAL 109 N -0.88 0.67 -0.86 5.26 2.07 -1.32 -1.96 116.25 119.23 2r28 h VAL 109 Ca -0.06 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.66 2r28 h VAL 109 Cb 0.75 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 2r28 h VAL 109 CO -0.04 0.00 0.57 0.24 0.02 0.00 0.00 177.57 178.37 2r28 h MET 110 N -0.10 0.36 0.00 1.57 2.07 -0.34 -3.18 114.93 115.32 2r28 h MET 110 Ca 0.11 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 2r28 h MET 110 Cb 0.26 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.90 2r28 h MET 110 CO -0.25 0.24 0.00 2.41 1.07 0.00 0.00 176.91 180.38 2r28 n THR 111 N -4.48 0.00 0.13 2.22 -1.04 -0.10 0.05 114.28 111.05 2r28 n THR 111 Ca 0.18 0.66 0.15 0.00 -2.04 0.00 0.00 64.05 63.00 2r28 n THR 111 Cb 0.68 -1.54 0.40 0.00 -1.82 0.00 0.00 70.33 68.04 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 0.00 0.96 8.00 4.21 -1.48 2.02 115.58 129.28 2r28 h ASN 112 Ca 0.00 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.31 2r28 h ASN 112 Cb 0.00 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 2r28 h ASN 112 CO 0.00 0.00 -1.09 0.25 -1.29 0.00 0.00 177.43 175.30 2r28 h LEU 113 N 0.00 0.00 0.00 1.61 6.46 -1.69 -3.49 115.31 118.20 2r28 h LEU 113 Ca 0.18 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2r28 h LEU 113 Cb 1.91 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.84 2r28 h LEU 113 CO -0.00 0.87 0.00 0.61 -0.62 0.00 0.00 178.44 179.30 2r28 n GLY 114 N 1.37 3.59 3.60 3.75 0.00 0.68 -5.11 105.19 113.08 2r28 n GLY 114 Ca -0.04 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2r28 n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r28 s GLU 115 N 0.00 3.77 -0.43 1.61 2.56 0.11 -4.88 118.70 121.44 2r28 s GLU 115 Ca 0.00 0.63 -0.25 0.00 0.00 0.00 0.00 54.97 55.35 2r28 s GLU 115 Cb 0.00 -3.88 0.02 0.00 2.00 0.00 0.00 34.13 32.28 2r28 s GLU 115 CO 0.00 -1.28 0.90 0.21 -0.56 0.00 0.00 175.26 174.53 2r28 s LYS 116 N 4.25 3.60 0.16 4.30 2.47 -1.26 -2.70 119.74 130.56 2r28 s LYS 116 Ca 0.47 0.23 0.11 0.00 -1.56 0.00 0.00 55.97 55.22 2r28 s LYS 116 Cb -0.08 -3.89 -0.04 0.00 -1.46 0.00 0.00 37.83 32.35 2r28 s LYS 116 CO 0.28 -1.12 -0.24 -0.51 0.16 0.00 0.00 175.35 173.92 2r28 s LEU 117 N 3.59 2.43 0.59 5.43 1.43 -1.26 -5.08 118.68 125.81 2r28 s LEU 117 Ca 0.36 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2r28 s LEU 117 Cb -0.11 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 2r28 s LEU 117 CO 0.24 0.15 0.92 0.28 0.23 0.00 0.00 176.35 178.17 2r28 s THR 118 N -1.33 4.07 0.31 5.49 -1.32 -1.26 -4.89 115.64 116.71 2r28 s THR 118 Ca 0.17 0.24 0.04 0.00 -1.21 0.00 0.00 61.69 60.94 2r28 s THR 118 Cb -0.09 -3.61 0.30 0.00 -1.51 0.00 0.00 72.50 67.59 2r28 s THR 118 CO 0.08 -0.67 1.85 0.44 -2.21 0.00 0.00 174.62 174.11 2r28 h ASP 119 N -0.17 0.82 -0.10 8.08 3.32 -1.99 -0.26 116.42 126.12 2r28 h ASP 119 Ca -0.46 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.52 2r28 h ASP 119 Cb 1.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2r28 h ASP 119 CO 0.62 0.43 -0.33 -0.08 -1.72 0.00 0.00 179.24 178.15 2r28 h GLU 120 N 0.88 0.60 -0.41 3.56 4.81 -1.99 -1.50 114.58 120.52 2r28 h GLU 120 Ca 0.48 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2r28 h GLU 120 Cb 0.57 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2r28 h GLU 120 CO -0.24 0.85 -0.08 0.93 -0.73 0.00 0.00 179.01 179.74 2r28 h GLU 121 N 0.50 0.77 -0.70 1.92 5.08 -1.76 -0.68 114.58 119.72 2r28 h GLU 121 Ca 0.06 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 2r28 h GLU 121 Cb 0.82 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2r28 h GLU 121 CO 0.07 0.90 0.22 -0.39 -1.00 0.00 0.00 179.01 178.81 2r28 h VAL 122 N 0.59 1.26 -0.77 3.13 -1.51 -0.92 -1.68 116.25 116.35 2r28 h VAL 122 Ca 0.11 -0.88 -0.00 0.00 -1.23 0.00 0.00 66.70 64.70 2r28 h VAL 122 Cb 0.60 0.50 -0.04 0.00 -2.13 0.00 0.00 31.29 30.23 2r28 h VAL 122 CO 0.04 0.34 0.47 0.44 -1.23 0.00 0.00 177.57 177.63 2r28 h ASP 123 N 1.02 0.92 -0.48 4.19 3.32 -1.05 -1.36 116.42 122.98 2r28 h ASP 123 Ca 0.23 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2r28 h ASP 123 Cb 0.29 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2r28 h ASP 123 CO -0.01 0.71 0.24 -0.08 -1.72 0.00 0.00 179.24 178.37 2r28 h GLU 124 N 1.06 0.70 -0.64 3.56 4.57 -0.93 0.25 114.58 123.13 2r28 h GLU 124 Ca 0.28 -0.10 0.10 0.00 -1.18 0.00 0.00 59.36 58.46 2r28 h GLU 124 Cb -0.05 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.34 2r28 h GLU 124 CO -0.05 0.58 0.26 0.52 -1.18 0.00 0.00 179.01 179.14 2r28 h MET 125 N 0.64 0.45 0.13 1.92 2.86 -0.63 -1.32 114.93 118.97 2r28 h MET 125 Ca 0.17 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2r28 h MET 125 Cb 0.11 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2r28 h MET 125 CO -0.02 0.30 -0.06 0.82 1.06 0.00 0.00 176.91 179.00 2r28 h ILE 126 N 0.46 0.93 -0.36 -1.22 1.08 -1.10 -3.08 117.51 114.23 2r28 h ILE 126 Ca 0.33 -0.24 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 2r28 h ILE 126 Cb 0.39 1.09 -0.07 0.00 -3.07 0.00 0.00 36.82 35.15 2r28 h ILE 126 CO -0.30 0.06 -0.13 -0.09 -0.69 0.00 0.00 178.15 176.99 2r28 h ARG 127 N -0.29 -0.06 -0.67 2.37 2.43 0.03 -0.06 114.38 118.14 2r28 h ARG 127 Ca -0.02 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.33 2r28 h ARG 127 Cb 0.23 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2r28 h ARG 127 CO 0.03 -0.04 0.47 0.93 -1.51 0.00 0.00 179.97 179.85 2r28 h GLU 128 N -0.06 0.09 -0.01 0.20 5.08 -1.21 -2.10 114.58 116.57 2r28 h GLU 128 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2r28 h GLU 128 Cb 0.33 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2r28 h GLU 128 CO -0.40 0.06 -0.59 0.00 -1.00 0.00 0.00 179.01 177.07 2r28 n ALA 129 N -2.63 3.82 -2.64 3.43 0.00 -0.17 -4.85 120.51 117.47 2r28 n ALA 129 Ca 0.13 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 2r28 n ALA 129 Cb 0.68 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.95 5.41 -0.33 0.00 2.03 -0.40 -4.79 116.55 117.52 2r28 n ASP 130 Ca 0.07 -3.14 0.04 0.00 0.52 0.00 0.00 54.79 52.28 2r28 n ASP 130 Cb 0.37 -1.45 0.18 0.00 -0.72 0.00 0.00 41.12 39.50 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 3.83 0.96 -0.01 5.18 1.08 -1.89 -1.68 117.51 124.99 2r28 h ILE 131 Ca 0.33 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 2r28 h ILE 131 Cb 0.68 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 2r28 h ILE 131 CO 1.46 0.17 -0.09 -0.90 -0.69 0.00 0.00 178.15 178.10 2r28 n ASP 132 N -4.65 1.20 -0.53 1.72 5.68 -1.26 -4.96 116.55 113.75 2r28 n ASP 132 Ca 0.15 -1.22 -0.07 0.00 -0.50 0.00 0.00 54.79 53.16 2r28 n ASP 132 Cb 0.26 0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 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 1.23 0.88 0.51 6.12 0.00 -0.63 -4.91 105.19 108.38 2r28 n GLY 133 Ca 0.17 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.20 1.53 0.00 1.61 5.75 -1.26 -4.91 116.55 119.47 2r28 n ASP 134 Ca -0.07 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 2r28 n ASP 134 Cb 0.29 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 1.11 0.79 3.29 6.12 0.00 -1.26 -5.02 105.19 110.22 2r28 n GLY 135 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 2r28 n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r28 s GLN 136 N -0.23 1.54 -0.27 1.61 -0.21 -1.26 -4.58 119.66 116.25 2r28 s GLN 136 Ca 0.00 -1.87 -0.05 0.00 0.02 0.00 0.00 55.36 53.46 2r28 s GLN 136 Cb 0.00 0.07 0.02 0.00 1.00 0.00 0.00 33.01 34.10 2r28 s GLN 136 CO 0.00 -0.48 0.02 0.08 -2.12 0.00 0.00 175.29 172.79 2r28 s VAL 137 N -3.70 3.50 0.73 1.09 1.01 0.17 -4.80 120.40 118.40 2r28 s VAL 137 Ca 0.37 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2r28 s VAL 137 Cb 0.05 -2.80 0.11 0.00 0.00 0.00 0.00 36.38 33.74 2r28 s VAL 137 CO 0.18 0.13 1.01 0.54 0.00 0.00 0.00 175.10 176.97 2r28 s ASN 138 N 1.43 4.40 0.14 3.32 2.20 -1.26 0.09 114.94 125.25 2r28 s ASN 138 Ca 0.02 -0.06 -0.18 0.00 -0.94 0.00 0.00 52.86 51.70 2r28 s ASN 138 Cb -0.17 -0.40 0.00 0.00 -2.00 0.00 0.00 41.25 38.68 2r28 s ASN 138 CO -0.00 -1.83 1.75 0.22 -2.94 0.00 0.00 177.10 174.30 2r28 h TYR 139 N -0.61 0.18 -1.00 1.54 3.20 -2.00 -1.51 116.97 116.78 2r28 h TYR 139 Ca -0.40 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.52 2r28 h TYR 139 Cb 1.28 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.45 2r28 h TYR 139 CO -0.15 0.09 0.65 0.93 -1.64 0.00 0.00 178.16 178.04 2r28 h GLU 140 N 0.23 1.22 -0.09 1.82 3.07 -1.95 0.16 114.58 119.05 2r28 h GLU 140 Ca 0.12 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.76 2r28 h GLU 140 Cb 0.08 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 2r28 h GLU 140 CO -0.12 0.81 -0.60 0.93 -1.40 0.00 0.00 179.01 178.62 2r28 h GLU 141 N 1.26 0.30 0.07 2.33 5.08 -1.84 -0.96 114.58 120.81 2r28 h GLU 141 Ca 0.40 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2r28 h GLU 141 Cb -0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2r28 h GLU 141 CO -0.12 0.81 -0.03 0.35 -1.00 0.00 0.00 179.01 179.01 2r28 h PHE 142 N 0.22 -0.09 -0.40 4.33 3.04 -0.27 0.44 116.94 124.20 2r28 h PHE 142 Ca -0.01 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.03 2r28 h PHE 142 Cb 1.12 0.03 -0.09 0.00 2.56 0.00 0.00 35.95 39.57 2r28 h PHE 142 CO 0.03 0.25 -0.27 0.28 -2.02 0.00 0.00 178.31 176.58 2r28 h VAL 143 N -0.43 0.30 -0.55 1.41 2.07 -0.74 -2.46 116.25 115.85 2r28 h VAL 143 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2r28 h VAL 143 Cb 0.38 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2r28 h VAL 143 CO 0.02 0.00 0.22 -0.61 0.02 0.00 0.00 177.57 177.21 2r28 h GLN 144 N -0.20 0.80 0.00 1.57 -0.00 -1.00 -2.35 115.11 113.93 2r28 h GLN 144 Ca 0.19 -0.12 -0.07 0.00 -0.00 0.00 0.00 58.65 58.65 2r28 h GLN 144 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 2r28 h GLN 144 CO -0.52 0.66 -0.33 1.98 0.00 0.00 0.00 178.83 180.63 2r28 h MET 145 N 0.79 0.00 -1.01 1.69 4.05 -0.46 -3.28 114.93 116.71 2r28 h MET 145 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2r28 h MET 145 Cb 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2r28 h MET 145 CO -0.02 0.33 0.00 -1.33 0.23 0.00 0.00 176.91 176.12 2r28 n MET 146 N -3.95 0.92 0.00 0.39 2.81 -0.89 -4.69 117.12 111.72 2r28 n MET 146 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2r28 n MET 146 Cb 0.39 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 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 0.31 0.00 -1.20 2.03 -1.04 -1.24 -5.09 114.28 108.05 2r28 n THR 147 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2r28 n THR 147 Cb 0.36 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 2r28 n THR 147 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43