#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bu9 n ALA 2 N 0.00 -1.02 -3.15 3.04 0.00 -1.26 -4.93 120.51 113.20 1bu9 n ALA 2 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 1bu9 n ALA 2 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 19.45 15.49 1bu9 n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bu9 s GLU 3 N -5.82 0.92 0.29 0.00 2.12 -1.26 -5.13 118.70 109.83 1bu9 s GLU 3 Ca 0.35 -1.48 -0.28 0.00 0.36 0.00 0.00 54.97 53.92 1bu9 s GLU 3 Cb -0.16 -0.76 -0.09 0.00 0.26 0.00 0.00 34.13 33.38 1bu9 s GLU 3 CO 0.43 -1.33 1.01 -1.25 -0.54 0.00 0.00 175.26 173.57 1bu9 s PRO 4 N 0.62 4.66 -0.29 4.30 0.04 -1.26 -3.94 135.00 139.13 1bu9 s PRO 4 Ca 0.29 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1bu9 s PRO 4 Cb -0.01 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1bu9 s PRO 4 CO -0.11 0.30 0.37 1.87 0.04 0.00 0.00 177.00 179.47 1bu9 n TRP 5 N 1.06 -2.52 0.00 0.56 -0.00 -1.26 -4.02 117.44 111.26 1bu9 n TRP 5 Ca -0.00 1.03 0.00 0.00 -0.00 0.00 0.00 57.50 58.53 1bu9 n TRP 5 Cb 0.47 -3.33 0.00 0.00 -0.00 0.00 0.00 31.31 28.45 1bu9 n TRP 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1bu9 n GLY 6 N -0.25 2.10 1.00 5.87 0.00 -1.26 -4.40 105.19 108.26 1bu9 n GLY 6 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1bu9 n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bu9 n ASN 7 N 0.00 0.51 0.06 1.61 3.02 -1.25 -4.76 115.26 114.45 1bu9 n ASN 7 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 1bu9 n ASN 7 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1bu9 h GLU 8 N 0.00 0.29 0.00 3.52 4.57 -1.93 -3.22 114.58 117.80 1bu9 h GLU 8 Ca 0.00 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1bu9 h GLU 8 Cb 0.31 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1bu9 h GLU 8 CO 0.00 1.16 0.00 1.28 -1.18 0.00 0.00 179.01 180.27 1bu9 n LEU 9 N -3.48 0.00 -0.46 1.64 7.99 -1.26 -1.44 117.00 119.98 1bu9 n LEU 9 Ca -0.19 0.41 0.39 0.00 -0.01 0.00 0.00 56.01 56.61 1bu9 n LEU 9 Cb 1.05 0.00 0.67 0.00 -0.11 0.00 0.00 43.42 45.03 1bu9 n LEU 9 CO 0.51 0.00 1.20 0.00 -1.51 0.00 0.00 177.39 177.59 1bu9 n ALA 10 N -0.97 1.33 -1.00 -1.18 0.00 -1.26 0.13 120.51 117.56 1bu9 n ALA 10 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.32 1bu9 n ALA 10 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1bu9 n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bu9 n SER 11 N -4.74 0.00 -0.01 0.00 7.64 -1.07 0.15 113.62 115.59 1bu9 n SER 11 Ca 0.40 0.09 -0.09 0.00 1.01 0.00 0.00 58.87 60.27 1bu9 n SER 11 Cb 1.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.71 1bu9 n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bu9 h ALA 12 N -2.18 -0.01 -0.06 -0.43 0.00 -0.66 0.51 119.26 116.42 1bu9 h ALA 12 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1bu9 h ALA 12 Cb 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1bu9 h ALA 12 CO 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 179.25 178.26 1bu9 h ALA 13 N 0.96 -0.65 -0.14 0.00 0.00 0.95 0.21 119.26 120.60 1bu9 h ALA 13 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bu9 h ALA 13 Cb 0.27 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1bu9 h ALA 13 CO -0.22 -0.95 0.00 0.00 0.00 0.00 0.00 179.25 178.08 1bu9 n ALA 14 N -2.91 2.77 0.17 0.00 0.00 0.39 0.28 120.51 121.21 1bu9 n ALA 14 Ca -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 53.44 52.99 1bu9 n ALA 14 Cb 0.37 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1bu9 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bu9 n ARG 15 N 0.12 4.30 0.00 0.00 3.00 0.17 -4.56 116.66 119.70 1bu9 n ARG 15 Ca 0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 1bu9 n ARG 15 Cb 0.42 -0.77 0.00 0.00 0.00 0.00 0.00 32.46 32.11 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 16 N 0.87 2.59 3.41 5.14 0.00 -0.25 -4.99 105.19 111.97 1bu9 n GLY 16 Ca 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.53 1bu9 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bu9 n ASP 17 N 0.00 1.55 -0.07 1.61 9.92 -0.03 -4.81 116.55 124.71 1bu9 n ASP 17 Ca 0.00 0.37 -0.09 0.00 -0.53 0.00 0.00 54.79 54.53 1bu9 n ASP 17 Cb 0.00 -1.15 -0.05 0.00 -0.64 0.00 0.00 41.12 39.28 1bu9 n ASP 17 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1bu9 h LEU 18 N 12.12 0.00 -0.49 0.64 7.12 -1.95 -3.34 115.31 129.42 1bu9 h LEU 18 Ca -0.19 -0.26 -0.01 0.00 0.13 0.00 0.00 57.88 57.55 1bu9 h LEU 18 Cb 1.34 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.45 1bu9 h LEU 18 CO 1.10 0.91 0.28 -0.08 -0.13 0.00 0.00 178.44 180.52 1bu9 h GLU 19 N -1.00 0.68 -0.75 1.25 4.81 -1.99 -2.86 114.58 114.71 1bu9 h GLU 19 Ca -0.09 -0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1bu9 h GLU 19 Cb 0.65 -0.14 -0.13 0.00 0.63 0.00 0.00 28.75 29.77 1bu9 h GLU 19 CO -0.05 0.52 -0.38 0.37 -0.73 0.00 0.00 179.01 178.75 1bu9 h GLN 20 N 0.65 -0.10 -0.66 1.92 5.75 -1.96 0.67 115.11 121.38 1bu9 h GLN 20 Ca 0.17 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.80 1bu9 h GLN 20 Cb 0.04 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.52 1bu9 h GLN 20 CO -0.03 -0.07 0.21 -0.07 -2.65 0.00 0.00 178.83 176.23 1bu9 h LEU 21 N -0.11 0.15 0.00 -2.39 3.38 -1.62 0.56 115.31 115.28 1bu9 h LEU 21 Ca 0.27 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1bu9 h LEU 21 Cb 0.57 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1bu9 h LEU 21 CO -0.81 0.07 0.00 0.41 0.09 0.00 0.00 178.44 178.21 1bu9 n THR 22 N -5.05 0.00 -0.36 0.22 -1.04 0.22 0.95 114.28 109.22 1bu9 n THR 22 Ca 0.11 1.43 0.27 0.00 -2.04 0.00 0.00 64.05 63.82 1bu9 n THR 22 Cb 0.35 -2.28 0.53 0.00 -1.82 0.00 0.00 70.33 67.11 1bu9 n THR 22 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1bu9 h SER 23 N 0.00 0.43 0.62 8.00 0.87 -1.01 1.45 113.55 123.90 1bu9 h SER 23 Ca 0.00 0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 1bu9 h SER 23 Cb 0.00 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1bu9 h SER 23 CO 0.00 -0.13 -0.50 0.25 -0.53 0.00 0.00 176.83 175.92 1bu9 h LEU 24 N 0.26 0.00 0.00 2.23 5.85 -0.07 -2.85 115.31 120.73 1bu9 h LEU 24 Ca 0.74 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 59.28 1bu9 h LEU 24 Cb 1.91 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.92 1bu9 h LEU 24 CO -0.52 0.50 -0.87 -0.07 -0.34 0.00 0.00 178.44 177.14 1bu9 h LEU 25 N 0.00 0.00 0.00 2.25 4.07 0.87 -2.07 115.31 120.44 1bu9 h LEU 25 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bu9 h LEU 25 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1bu9 h LEU 25 CO 0.06 0.83 0.00 0.00 -1.08 0.00 0.00 178.44 178.26 1bu9 n GLN 26 N -3.29 0.43 -0.01 1.13 1.13 0.26 -4.05 117.38 112.97 1bu9 n GLN 26 Ca -0.00 0.05 -0.03 0.00 -1.94 0.00 0.00 57.00 55.08 1bu9 n GLN 26 Cb 0.88 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.72 1bu9 n GLN 26 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1bu9 n ASN 27 N -1.23 0.99 -3.65 1.08 4.13 -1.13 -5.08 115.26 110.37 1bu9 n ASN 27 Ca 0.13 0.15 -0.02 0.00 1.68 0.00 0.00 54.58 56.52 1bu9 n ASN 27 Cb 0.17 -0.43 -0.06 0.00 -1.54 0.00 0.00 39.78 37.92 1bu9 n ASN 27 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1bu9 s ASN 28 N -5.45 -0.01 -0.28 6.41 2.47 -0.79 -5.12 114.94 112.17 1bu9 s ASN 28 Ca -0.09 0.02 -0.19 0.00 0.42 0.00 0.00 52.86 53.01 1bu9 s ASN 28 Cb 0.01 0.02 0.09 0.00 -1.45 0.00 0.00 41.25 39.92 1bu9 s ASN 28 CO 0.14 -0.01 0.75 0.68 -3.72 0.00 0.00 177.10 174.94 1bu9 s VAL 29 N -0.39 0.00 -1.29 -5.21 -7.23 -1.26 -4.69 120.40 100.33 1bu9 s VAL 29 Ca 0.09 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.09 1bu9 s VAL 29 Cb -0.03 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.90 1bu9 s VAL 29 CO -0.13 0.00 2.08 0.59 -0.31 0.00 0.00 175.10 177.33 1bu9 n ASN 30 N 3.60 3.72 -0.50 4.85 3.02 -1.26 -4.75 115.26 123.94 1bu9 n ASN 30 Ca -0.17 -2.81 0.39 0.00 -0.03 0.00 0.00 54.58 51.95 1bu9 n ASN 30 Cb 0.57 -1.57 0.60 0.00 -0.61 0.00 0.00 39.78 38.78 1bu9 n ASN 30 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1bu9 n VAL 31 N 5.59 0.00 -0.39 2.41 0.31 -1.26 0.34 118.33 125.32 1bu9 n VAL 31 Ca 0.51 1.15 0.06 0.00 -0.01 0.00 0.00 64.34 66.04 1bu9 n VAL 31 Cb 0.41 -1.93 0.15 0.00 -0.91 0.00 0.00 33.84 31.56 1bu9 n VAL 31 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1bu9 n ASN 32 N -3.41 2.95 -3.35 4.52 5.03 -1.26 -4.82 115.26 114.92 1bu9 n ASN 32 Ca 0.33 -2.30 -0.20 0.00 0.87 0.00 0.00 54.58 53.27 1bu9 n ASN 32 Cb 1.54 -0.28 0.19 0.00 -1.02 0.00 0.00 39.78 40.22 1bu9 n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bu9 n ALA 33 N -0.02 -3.47 -3.16 5.41 0.00 1.02 -4.93 120.51 115.36 1bu9 n ALA 33 Ca 0.12 -1.01 0.05 0.00 0.00 0.00 0.00 53.44 52.60 1bu9 n ALA 33 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 1bu9 n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bu9 s GLN 34 N -4.02 0.19 0.00 0.00 -0.21 -1.26 -4.12 119.66 110.25 1bu9 s GLN 34 Ca 0.44 0.34 0.00 0.00 0.02 0.00 0.00 55.36 56.16 1bu9 s GLN 34 Cb -0.08 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.12 1bu9 s GLN 34 CO 0.37 -0.19 0.00 -1.71 -2.12 0.00 0.00 175.29 171.64 1bu9 n ASN 35 N 5.42 -1.20 0.10 5.90 5.15 -1.11 -4.55 115.26 124.96 1bu9 n ASN 35 Ca -0.07 -0.26 0.07 0.00 -0.60 0.00 0.00 54.58 53.71 1bu9 n ASN 35 Cb 0.54 0.00 0.35 0.00 -0.53 0.00 0.00 39.78 40.14 1bu9 n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bu9 n GLY 36 N 1.53 -0.73 0.36 8.20 0.00 -1.26 0.09 105.19 113.37 1bu9 n GLY 36 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1bu9 n GLY 36 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bu9 n PHE 37 N -1.95 0.22 -3.61 1.61 7.35 -1.26 -4.84 117.46 114.97 1bu9 n PHE 37 Ca -0.01 -0.11 -0.27 0.00 -0.76 0.00 0.00 57.45 56.31 1bu9 n PHE 37 Cb 0.03 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.85 1bu9 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bu9 n GLY 38 N 0.90 -0.47 3.30 7.13 0.00 0.11 -3.91 105.19 112.24 1bu9 n GLY 38 Ca 0.10 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1bu9 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bu9 s ARG 39 N -6.27 2.56 -0.01 1.61 1.04 -1.26 -3.41 118.95 113.21 1bu9 s ARG 39 Ca 0.50 -0.87 -0.01 0.00 -1.04 0.00 0.00 55.73 54.31 1bu9 s ARG 39 Cb -0.27 -2.20 -0.04 0.00 -2.04 0.00 0.00 34.95 30.40 1bu9 s ARG 39 CO 0.62 0.42 0.08 0.95 -0.04 0.00 0.00 175.30 177.32 1bu9 s THR 40 N -0.24 4.73 0.61 4.99 -4.23 -1.26 -2.77 115.64 117.47 1bu9 s THR 40 Ca -0.01 -0.39 0.27 0.00 -1.18 0.00 0.00 61.69 60.38 1bu9 s THR 40 Cb -0.13 -3.15 0.35 0.00 1.34 0.00 0.00 72.50 70.91 1bu9 s THR 40 CO 0.03 0.36 1.76 0.00 -0.54 0.00 0.00 174.62 176.24 1bu9 h ALA 41 N 4.14 2.16 0.00 3.99 0.00 -1.89 2.40 119.26 130.06 1bu9 h ALA 41 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1bu9 h ALA 41 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bu9 h ALA 41 CO 0.62 -0.84 0.00 1.25 0.00 0.00 0.00 179.25 180.28 1bu9 h LEU 42 N 0.00 0.00 0.10 0.00 5.85 -1.92 2.04 115.31 121.39 1bu9 h LEU 42 Ca 0.22 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.60 1bu9 h LEU 42 Cb 1.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1bu9 h LEU 42 CO -0.00 0.00 -1.83 1.56 -0.34 0.00 0.00 178.44 177.83 1bu9 h GLN 43 N 0.00 0.22 0.15 1.25 4.20 0.37 -3.38 115.11 117.92 1bu9 h GLN 43 Ca 0.00 -0.38 -0.32 0.00 0.06 0.00 0.00 58.65 58.01 1bu9 h GLN 43 Cb 0.45 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1bu9 h GLN 43 CO 0.00 1.06 -1.64 -0.39 -0.67 0.00 0.00 178.83 177.19 1bu9 h VAL 44 N 0.06 0.93 0.00 -0.54 -1.51 -1.02 -3.46 116.25 110.71 1bu9 h VAL 44 Ca -0.35 -2.44 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 1bu9 h VAL 44 Cb 2.04 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 33.90 1bu9 h VAL 44 CO 0.11 0.79 0.00 1.15 -1.23 0.00 0.00 177.57 178.39 1bu9 n MET 45 N -3.73 0.00 -1.50 5.19 0.00 0.69 -4.01 117.12 113.76 1bu9 n MET 45 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.16 1bu9 n MET 45 Cb 0.99 0.00 -0.20 0.00 0.00 0.00 0.00 33.22 34.02 1bu9 n MET 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1bu9 n LYS 46 N 0.00 0.03 0.27 3.17 3.00 0.81 -4.63 118.16 120.81 1bu9 n LYS 46 Ca 0.00 -0.03 0.12 0.00 -0.00 0.00 0.00 58.31 58.40 1bu9 n LYS 46 Cb 0.00 -1.28 0.64 0.00 0.00 0.00 0.00 35.03 34.39 1bu9 n LYS 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1bu9 h LEU 47 N 11.80 0.00 -0.41 3.14 3.38 -1.87 -1.30 115.31 130.05 1bu9 h LEU 47 Ca 0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1bu9 h LEU 47 Cb 1.19 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 1bu9 h LEU 47 CO 1.53 0.00 -0.54 1.23 0.09 0.00 0.00 178.44 180.75 1bu9 h GLY 48 N 0.00 -0.93 -5.18 0.83 0.00 -1.95 -3.30 103.07 92.54 1bu9 h GLY 48 Ca 0.00 0.69 -0.59 0.00 0.00 0.00 0.00 47.33 47.43 1bu9 h GLY 48 CO 0.00 -0.13 -0.14 0.54 0.00 0.00 0.00 176.54 176.81 1bu9 s ASN 49 N -5.06 6.80 0.15 0.19 2.20 -0.49 -4.92 114.94 113.81 1bu9 s ASN 49 Ca -0.14 0.95 0.23 0.00 -0.94 0.00 0.00 52.86 52.95 1bu9 s ASN 49 Cb 0.09 -2.29 0.10 0.00 -2.00 0.00 0.00 41.25 37.16 1bu9 s ASN 49 CO 0.62 0.16 1.11 -0.81 -2.94 0.00 0.00 177.10 175.25 1bu9 n PRO 50 N 2.68 0.47 0.24 3.55 -0.04 -1.24 -3.41 135.00 137.24 1bu9 n PRO 50 Ca -0.10 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1bu9 n PRO 50 Cb 0.52 -1.74 0.53 0.00 -0.04 0.00 0.00 33.50 32.76 1bu9 n PRO 50 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1bu9 h GLU 51 N 0.00 0.00 -0.71 0.54 4.11 -1.91 -2.99 114.58 113.62 1bu9 h GLU 51 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.54 1bu9 h GLU 51 Cb 0.88 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.01 1bu9 h GLU 51 CO 0.00 0.16 -0.41 0.82 0.07 0.00 0.00 179.01 179.65 1bu9 h ILE 52 N 0.00 0.08 -0.43 -1.06 1.08 -1.85 0.75 117.51 116.08 1bu9 h ILE 52 Ca -0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1bu9 h ILE 52 Cb 0.66 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 1bu9 h ILE 52 CO 0.02 0.00 0.08 0.00 -0.69 0.00 0.00 178.15 177.56 1bu9 h ALA 53 N 0.87 0.57 -0.50 1.87 0.00 -1.77 -2.94 119.26 117.36 1bu9 h ALA 53 Ca 0.23 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1bu9 h ALA 53 Cb 0.56 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 1bu9 h ALA 53 CO -0.77 0.28 -0.41 -0.09 0.00 0.00 0.00 179.25 178.25 1bu9 h ARG 54 N 0.56 -0.25 -0.88 0.00 2.43 0.26 2.03 114.38 118.53 1bu9 h ARG 54 Ca 0.13 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.52 1bu9 h ARG 54 Cb 0.36 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 29.81 1bu9 h ARG 54 CO 0.01 -0.17 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.12 1bu9 h ARG 55 N -0.26 0.03 -0.08 0.20 9.65 0.34 1.07 114.38 125.32 1bu9 h ARG 55 Ca 0.17 -0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.84 1bu9 h ARG 55 Cb 0.57 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.15 1bu9 h ARG 55 CO -0.63 0.02 -0.76 -0.07 2.80 0.00 0.00 179.97 181.33 1bu9 h LEU 56 N 0.03 0.81 -0.74 3.80 3.38 -0.32 -3.26 115.31 119.01 1bu9 h LEU 56 Ca 0.47 -0.68 0.04 0.00 0.09 0.00 0.00 57.88 57.81 1bu9 h LEU 56 Cb 0.84 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1bu9 h LEU 56 CO -0.85 1.37 0.45 -0.07 0.09 0.00 0.00 178.44 179.43 1bu9 h LEU 57 N 0.32 0.72 -2.43 1.67 3.38 0.79 0.11 115.31 119.88 1bu9 h LEU 57 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1bu9 h LEU 57 Cb 1.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1bu9 h LEU 57 CO 0.15 0.49 0.12 -0.07 0.09 0.00 0.00 178.44 179.22 1bu9 h LEU 58 N 0.86 0.00 -0.63 1.67 -0.00 0.84 0.83 115.31 118.88 1bu9 h LEU 58 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1bu9 h LEU 58 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1bu9 h LEU 58 CO -0.14 0.00 -0.64 -1.14 -0.00 0.00 0.00 178.44 176.52 1bu9 n ARG 59 N -2.89 0.92 0.00 1.13 0.00 0.26 -4.97 116.66 111.11 1bu9 n ARG 59 Ca -0.02 -0.62 0.00 0.00 -0.00 0.00 0.00 57.85 57.20 1bu9 n ARG 59 Cb 0.17 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1bu9 n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bu9 n GLY 60 N 1.42 0.78 3.01 5.14 0.00 0.29 -5.01 105.19 110.82 1bu9 n GLY 60 Ca 0.07 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1bu9 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 s ALA 61 N -0.17 3.79 -0.48 4.61 0.00 -1.19 -4.75 121.76 123.57 1bu9 s ALA 61 Ca 0.00 -3.61 -0.36 0.00 0.00 0.00 0.00 51.96 47.99 1bu9 s ALA 61 Cb 0.00 -2.47 -0.14 0.00 0.00 0.00 0.00 23.12 20.51 1bu9 s ALA 61 CO 0.00 -2.10 2.26 0.09 0.00 0.00 0.00 175.76 176.01 1bu9 n ASN 62 N 2.63 1.55 0.29 0.00 3.02 -1.26 -4.74 115.26 116.74 1bu9 n ASN 62 Ca 0.15 0.38 0.16 0.00 -0.03 0.00 0.00 54.58 55.24 1bu9 n ASN 62 Cb 0.36 -1.15 0.94 0.00 -0.61 0.00 0.00 39.78 39.32 1bu9 n ASN 62 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1bu9 h PRO 63 N 12.02 0.00 -0.52 3.52 0.13 -1.85 0.73 132.00 146.04 1bu9 h PRO 63 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1bu9 h PRO 63 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1bu9 h PRO 63 CO 1.10 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.47 1bu9 n ASP 64 N -3.73 1.77 -4.51 1.44 5.68 -1.26 -1.33 116.55 114.62 1bu9 n ASP 64 Ca -0.02 -2.13 -0.13 0.00 -0.50 0.00 0.00 54.79 52.01 1bu9 n ASP 64 Cb 0.13 -0.33 -0.10 0.00 -1.14 0.00 0.00 41.12 39.68 1bu9 n ASP 64 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1bu9 n LEU 65 N 0.18 0.91 -4.51 -2.12 4.77 0.25 -4.61 117.00 111.86 1bu9 n LEU 65 Ca 0.08 -1.68 -0.31 0.00 -0.03 0.00 0.00 56.01 54.07 1bu9 n LEU 65 Cb 0.35 -1.45 0.17 0.00 -2.33 0.00 0.00 43.42 40.16 1bu9 n LEU 65 CO 0.07 -2.74 0.27 0.29 -1.33 0.00 0.00 177.39 173.95 1bu9 n LYS 66 N 7.81 -0.89 0.00 3.23 4.76 -1.26 -3.34 118.16 128.48 1bu9 n LYS 66 Ca 0.44 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1bu9 n LYS 66 Cb 0.41 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 1bu9 n LYS 66 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1bu9 n ASP 67 N -3.16 0.65 0.29 4.39 5.75 -0.51 -4.74 116.55 119.22 1bu9 n ASP 67 Ca 0.07 0.00 0.17 0.00 -0.01 0.00 0.00 54.79 55.02 1bu9 n ASP 67 Cb 0.54 0.00 0.87 0.00 -1.03 0.00 0.00 41.12 41.50 1bu9 n ASP 67 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1bu9 h ARG 68 N 0.00 0.00 -0.49 0.11 0.11 -1.67 -1.40 114.38 111.03 1bu9 h ARG 68 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bu9 h ARG 68 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1bu9 h ARG 68 CO 0.00 0.05 0.00 0.25 0.10 0.00 0.00 179.97 180.37 1bu9 n THR 69 N -3.34 1.57 -1.11 0.08 -2.24 -1.26 -4.90 114.28 103.07 1bu9 n THR 69 Ca -0.02 -1.24 -0.04 0.00 -2.27 0.00 0.00 64.05 60.48 1bu9 n THR 69 Cb 0.20 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1bu9 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bu9 n GLY 70 N 0.69 0.67 3.61 3.38 0.00 -0.53 0.23 105.19 113.24 1bu9 n GLY 70 Ca 0.20 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1bu9 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bu9 s PHE 71 N -2.06 2.96 0.48 1.61 0.40 -1.26 -3.59 117.98 116.53 1bu9 s PHE 71 Ca 0.00 0.88 -0.21 0.00 -0.60 0.00 0.00 56.93 57.01 1bu9 s PHE 71 Cb 0.00 -4.10 -0.08 0.00 0.51 0.00 0.00 43.02 39.35 1bu9 s PHE 71 CO 0.00 -1.05 1.06 0.00 0.70 0.00 0.00 175.22 175.92 1bu9 s ALA 72 N 4.07 2.87 0.53 5.36 0.00 -1.24 -1.42 121.76 131.93 1bu9 s ALA 72 Ca 0.46 0.66 0.40 0.00 0.00 0.00 0.00 51.96 53.48 1bu9 s ALA 72 Cb -0.09 -3.27 1.58 0.00 0.00 0.00 0.00 23.12 21.33 1bu9 s ALA 72 CO 0.25 -0.38 1.69 0.28 0.00 0.00 0.00 175.76 177.60 1bu9 h VAL 73 N 1.58 0.23 -0.75 0.00 2.07 -1.21 2.44 116.25 120.61 1bu9 h VAL 73 Ca -0.49 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1bu9 h VAL 73 Cb 1.23 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1bu9 h VAL 73 CO 0.59 0.01 0.45 0.40 0.02 0.00 0.00 177.57 179.04 1bu9 h ILE 74 N 0.04 1.03 -0.36 4.57 2.04 -1.85 0.15 117.51 123.13 1bu9 h ILE 74 Ca 0.74 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 66.36 1bu9 h ILE 74 Cb 2.82 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 38.93 1bu9 h ILE 74 CO -0.08 0.15 -0.53 0.45 0.00 0.00 0.00 178.15 178.14 1bu9 h HIS 75 N 0.84 -1.63 -0.24 1.37 3.86 0.39 -0.57 115.15 119.17 1bu9 h HIS 75 Ca 0.32 0.08 0.06 0.00 -1.16 0.00 0.00 60.37 59.67 1bu9 h HIS 75 Cb 0.14 0.76 -0.07 0.00 1.06 0.00 0.00 27.41 29.30 1bu9 h HIS 75 CO -0.05 -0.48 -0.27 -0.44 0.86 0.00 0.00 177.93 177.55 1bu9 h ASP 76 N -0.40 -0.87 -0.99 2.45 3.32 -1.21 2.16 116.42 120.89 1bu9 h ASP 76 Ca 0.06 0.15 0.18 0.00 0.02 0.00 0.00 57.03 57.44 1bu9 h ASP 76 Cb 0.58 0.40 -0.10 0.00 0.22 0.00 0.00 39.33 40.42 1bu9 h ASP 76 CO -0.55 -0.30 0.60 0.00 -1.72 0.00 0.00 179.24 177.26 1bu9 h ALA 77 N 0.70 1.61 0.00 3.45 0.00 0.38 -3.02 119.26 122.39 1bu9 h ALA 77 Ca 0.13 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1bu9 h ALA 77 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1bu9 h ALA 77 CO -0.40 -0.01 -1.45 0.00 0.00 0.00 0.00 179.25 177.39 1bu9 n ALA 78 N -2.34 0.87 -0.31 0.00 0.00 -0.33 0.26 120.51 118.66 1bu9 n ALA 78 Ca 0.22 -0.75 -0.02 0.00 0.00 0.00 0.00 53.44 52.89 1bu9 n ALA 78 Cb 0.53 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.92 1bu9 n ALA 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bu9 n ARG 79 N -4.42 -0.21 0.03 0.00 0.00 0.72 0.61 116.66 113.39 1bu9 n ARG 79 Ca -0.30 1.23 -0.14 0.00 -0.00 0.00 0.00 57.85 58.65 1bu9 n ARG 79 Cb 0.62 -1.82 -0.02 0.00 0.00 0.00 0.00 32.46 31.24 1bu9 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bu9 h ALA 80 N 1.00 0.43 0.00 5.13 0.00 -1.70 -3.44 119.26 120.68 1bu9 h ALA 80 Ca 0.26 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1bu9 h ALA 80 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1bu9 h ALA 80 CO -0.79 0.74 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1bu9 n GLY 81 N 0.70 0.57 2.68 0.00 0.00 0.20 -5.09 105.19 104.26 1bu9 n GLY 81 Ca -0.06 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 1bu9 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bu9 s PHE 82 N -0.02 2.27 0.01 1.61 0.08 0.73 -4.98 117.98 117.68 1bu9 s PHE 82 Ca 0.00 -2.72 -0.25 0.00 0.12 0.00 0.00 56.93 54.08 1bu9 s PHE 82 Cb 0.00 -1.89 -0.16 0.00 -0.57 0.00 0.00 43.02 40.41 1bu9 s PHE 82 CO 0.00 -0.71 1.17 1.25 -0.10 0.00 0.00 175.22 176.82 1bu9 h LEU 83 N 5.94 -0.47 -1.72 -0.37 5.85 -1.94 0.32 115.31 122.92 1bu9 h LEU 83 Ca 0.13 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1bu9 h LEU 83 Cb 0.86 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1bu9 h LEU 83 CO 0.53 -0.10 0.58 0.44 -0.34 0.00 0.00 178.44 179.55 1bu9 h ASP 84 N -0.90 0.00 0.63 1.25 5.19 -1.93 2.90 116.42 123.55 1bu9 h ASP 84 Ca -0.06 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.08 1bu9 h ASP 84 Cb 0.56 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 1bu9 h ASP 84 CO 0.09 0.00 -1.29 0.74 -3.12 0.00 0.00 179.24 175.66 1bu9 h THR 85 N 0.00 1.44 0.00 0.35 2.02 -1.66 -2.37 112.91 112.68 1bu9 h THR 85 Ca 0.19 -3.04 -0.05 0.00 0.77 0.00 0.00 66.41 64.29 1bu9 h THR 85 Cb 1.34 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 70.63 1bu9 h THR 85 CO -0.00 0.88 -0.21 0.25 0.37 0.00 0.00 175.52 176.80 1bu9 h LEU 86 N 0.06 0.00 -0.10 2.58 6.46 0.87 -2.31 115.31 122.86 1bu9 h LEU 86 Ca -0.15 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.56 1bu9 h LEU 86 Cb 1.96 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.89 1bu9 h LEU 86 CO 0.19 0.21 -0.16 1.56 -0.62 0.00 0.00 178.44 179.62 1bu9 h GLN 87 N 0.00 0.29 -0.81 1.25 4.20 0.68 -2.24 115.11 118.49 1bu9 h GLN 87 Ca -0.00 -0.17 0.19 0.00 0.06 0.00 0.00 58.65 58.73 1bu9 h GLN 87 Cb 0.50 0.02 -0.14 0.00 0.30 0.00 0.00 27.48 28.15 1bu9 h GLN 87 CO 0.03 0.74 0.07 1.15 -0.67 0.00 0.00 178.83 180.15 1bu9 h THR 88 N -0.14 0.31 0.48 -0.54 2.02 -0.89 0.89 112.91 115.04 1bu9 h THR 88 Ca 0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1bu9 h THR 88 Cb 0.72 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1bu9 h THR 88 CO 0.04 0.02 -0.23 -0.07 0.37 0.00 0.00 175.52 175.65 1bu9 h LEU 89 N 0.13 -0.55 -0.46 2.58 3.38 -1.41 -0.74 115.31 118.24 1bu9 h LEU 89 Ca 0.46 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.53 1bu9 h LEU 89 Cb 0.86 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 1bu9 h LEU 89 CO -0.68 -0.36 -0.37 0.25 0.09 0.00 0.00 178.44 177.37 1bu9 h LEU 90 N -0.71 -1.25 -0.90 1.67 5.85 -0.68 0.52 115.31 119.81 1bu9 h LEU 90 Ca -0.07 0.21 0.24 0.00 0.84 0.00 0.00 57.88 59.10 1bu9 h LEU 90 Cb 0.49 0.58 -0.16 0.00 0.37 0.00 0.00 40.66 41.94 1bu9 h LEU 90 CO 0.11 -0.34 0.08 -0.08 -0.34 0.00 0.00 178.44 177.87 1bu9 h GLU 91 N -0.26 0.08 -0.99 1.25 4.57 0.81 1.90 114.58 121.94 1bu9 h GLU 91 Ca 0.17 -0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.02 1bu9 h GLU 91 Cb 0.56 -0.02 -0.20 0.00 -0.16 0.00 0.00 28.75 28.93 1bu9 h GLU 91 CO -0.60 0.05 0.42 1.19 -1.18 0.00 0.00 179.01 178.90 1bu9 n PHE 92 N -5.39 2.04 -2.59 0.92 3.01 0.16 -4.92 117.46 110.70 1bu9 n PHE 92 Ca 0.20 -1.37 -0.04 0.00 1.01 0.00 0.00 57.45 57.25 1bu9 n PHE 92 Cb 0.67 -0.71 0.01 0.00 -0.01 0.00 0.00 39.48 39.44 1bu9 n PHE 92 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1bu9 n GLN 93 N -0.57 -1.58 -4.16 -1.08 1.13 0.64 -4.72 117.38 107.05 1bu9 n GLN 93 Ca 0.39 1.60 -0.34 0.00 -1.94 0.00 0.00 57.00 56.71 1bu9 n GLN 93 Cb 1.28 -4.75 -0.13 0.00 0.11 0.00 0.00 30.24 26.74 1bu9 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bu9 s ALA 94 N -2.49 2.85 -0.93 -1.58 0.00 -0.72 -4.55 121.76 114.35 1bu9 s ALA 94 Ca 0.13 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1bu9 s ALA 94 Cb -0.04 -1.62 -0.27 0.00 0.00 0.00 0.00 23.12 21.20 1bu9 s ALA 94 CO 0.59 -0.16 2.28 -0.25 0.00 0.00 0.00 175.76 178.21 1bu9 n ASP 95 N 4.29 -0.31 0.19 0.00 9.92 -1.26 -4.59 116.55 124.79 1bu9 n ASP 95 Ca -0.18 -0.74 0.17 0.00 -0.53 0.00 0.00 54.79 53.51 1bu9 n ASP 95 Cb 0.52 -0.91 0.67 0.00 -0.64 0.00 0.00 41.12 40.76 1bu9 n ASP 95 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1bu9 h VAL 96 N 7.30 0.14 -0.56 2.53 3.04 -1.99 2.04 116.25 128.74 1bu9 h VAL 96 Ca 0.01 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.67 1bu9 h VAL 96 Cb 1.12 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 1bu9 h VAL 96 CO 1.42 0.00 0.04 0.59 -1.01 0.00 0.00 177.57 178.61 1bu9 n ASN 97 N -3.19 5.38 -4.65 3.17 5.03 -1.26 -4.68 115.26 115.07 1bu9 n ASN 97 Ca 0.04 -3.00 -0.43 0.00 0.87 0.00 0.00 54.58 52.07 1bu9 n ASN 97 Cb 0.64 -0.68 -0.02 0.00 -1.02 0.00 0.00 39.78 38.70 1bu9 n ASN 97 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1bu9 s ILE 98 N -2.82 4.11 0.00 2.41 -1.16 0.69 -4.92 121.20 119.50 1bu9 s ILE 98 Ca 0.53 1.30 0.00 0.00 -0.51 0.00 0.00 60.65 61.97 1bu9 s ILE 98 Cb 0.41 -3.98 0.00 0.00 0.61 0.00 0.00 42.46 39.51 1bu9 s ILE 98 CO 0.15 -0.27 0.00 -0.62 -2.81 0.00 0.00 174.94 171.39 1bu9 n GLU 99 N 7.03 3.39 0.00 3.50 1.02 -1.26 -3.42 120.64 130.89 1bu9 n GLU 99 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1bu9 n GLU 99 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 1bu9 n GLU 99 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bu9 n ASP 100 N 0.00 0.85 -1.69 1.62 5.75 -0.26 -3.59 116.55 119.23 1bu9 n ASP 100 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 1bu9 n ASP 100 Cb 0.00 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.18 1bu9 n ASP 100 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1bu9 n ASN 101 N 0.00 3.66 0.00 -1.12 2.85 0.13 -4.24 115.26 116.54 1bu9 n ASN 101 Ca 0.00 -2.89 0.00 0.00 -0.11 0.00 0.00 54.58 51.58 1bu9 n ASN 101 Cb 0.00 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.31 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1bu9 n GLU 102 N -0.35 0.00 0.00 1.20 1.02 -1.26 -5.00 120.64 116.25 1bu9 n GLU 102 Ca 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1bu9 n GLU 102 Cb 1.09 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 32.44 1bu9 n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bu9 n GLY 103 N 0.33 1.14 3.76 0.62 0.00 -1.26 -4.25 105.19 105.52 1bu9 n GLY 103 Ca 0.00 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1bu9 n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bu9 s ASN 104 N 0.00 7.17 0.36 1.61 -0.87 -1.26 -4.33 114.94 117.61 1bu9 s ASN 104 Ca 0.00 2.18 0.01 0.00 -1.57 0.00 0.00 52.86 53.48 1bu9 s ASN 104 Cb 0.00 -2.61 0.01 0.00 -0.02 0.00 0.00 41.25 38.62 1bu9 s ASN 104 CO 0.00 -0.21 0.08 0.00 -2.57 0.00 0.00 177.10 174.40 1bu9 n LEU 105 N 0.88 0.00 0.00 0.60 -0.00 -1.26 -1.10 117.00 116.12 1bu9 n LEU 105 Ca 0.00 -2.15 0.02 0.00 -0.00 0.00 0.00 56.01 53.88 1bu9 n LEU 105 Cb 0.46 0.17 0.09 0.00 -0.00 0.00 0.00 43.42 44.14 1bu9 n LEU 105 CO 0.51 -0.36 0.39 -0.81 -0.00 0.00 0.00 177.39 177.12 1bu9 n PRO 106 N -1.02 0.08 -0.00 1.47 -0.04 -1.22 -1.29 135.00 132.97 1bu9 n PRO 106 Ca -0.11 0.10 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1bu9 n PRO 106 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 1bu9 n PRO 106 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1bu9 h LEU 107 N 0.00 0.30 -0.05 1.53 5.85 -1.89 -3.01 115.31 118.04 1bu9 h LEU 107 Ca 0.00 -0.88 -0.04 0.00 0.84 0.00 0.00 57.88 57.79 1bu9 h LEU 107 Cb 0.01 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1bu9 h LEU 107 CO 0.00 1.40 -0.14 0.45 -0.34 0.00 0.00 178.44 179.82 1bu9 h HIS 108 N -0.54 0.24 0.00 1.25 3.86 -1.52 -2.77 115.15 115.68 1bu9 h HIS 108 Ca -0.19 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1bu9 h HIS 108 Cb 1.52 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.95 1bu9 h HIS 108 CO 0.18 0.74 0.00 1.28 0.86 0.00 0.00 177.93 180.99 1bu9 n LEU 109 N -4.62 0.00 -0.35 2.43 4.77 -0.41 0.27 117.00 119.09 1bu9 n LEU 109 Ca -0.08 0.99 0.37 0.00 -0.03 0.00 0.00 56.01 57.25 1bu9 n LEU 109 Cb 0.38 -0.49 0.73 0.00 -2.33 0.00 0.00 43.42 41.71 1bu9 n LEU 109 CO 0.37 -0.49 1.34 0.00 -1.33 0.00 0.00 177.39 177.29 1bu9 h ALA 110 N -1.17 3.16 0.02 -1.18 0.00 -1.63 2.28 119.26 120.73 1bu9 h ALA 110 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 1bu9 h ALA 110 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bu9 h ALA 110 CO 0.00 -1.63 -0.98 0.00 0.00 0.00 0.00 179.25 176.64 1bu9 h ALA 111 N 1.20 0.32 -0.61 0.00 0.00 0.41 2.55 119.26 123.13 1bu9 h ALA 111 Ca 0.60 -0.73 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1bu9 h ALA 111 Cb 2.56 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 20.29 1bu9 h ALA 111 CO -0.01 0.82 0.31 0.87 0.00 0.00 0.00 179.25 181.25 1bu9 h LYS 112 N 0.22 0.56 0.05 0.00 1.79 1.81 -2.06 116.57 118.95 1bu9 h LYS 112 Ca -0.09 -0.03 -0.27 0.00 -2.18 0.00 0.00 60.65 58.08 1bu9 h LYS 112 Cb 1.63 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.13 1bu9 h LYS 112 CO 0.17 0.37 -1.35 0.93 -1.08 0.00 0.00 179.45 178.49 1bu9 h GLU 113 N 0.57 0.11 0.00 3.15 4.39 -1.41 -3.48 114.58 117.92 1bu9 h GLU 113 Ca 0.28 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1bu9 h GLU 113 Cb 0.22 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1bu9 h GLU 113 CO -0.20 0.96 0.00 0.41 -1.16 0.00 0.00 179.01 179.02 1bu9 n GLY 114 N 1.52 1.81 3.26 -3.84 0.00 0.25 -4.97 105.19 103.23 1bu9 n GLY 114 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1bu9 n GLY 114 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bu9 n HIS 115 N -1.04 0.91 0.00 1.61 8.25 0.79 -4.76 115.22 120.99 1bu9 n HIS 115 Ca 0.00 -1.16 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 1bu9 n HIS 115 Cb 0.00 -1.22 0.00 0.00 1.12 0.00 0.00 29.99 29.89 1bu9 n HIS 115 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1bu9 n LEU 116 N 7.96 0.00 -0.63 2.41 0.00 -1.26 0.87 117.00 126.34 1bu9 n LEU 116 Ca 0.46 0.44 0.48 0.00 0.00 0.00 0.00 56.01 57.39 1bu9 n LEU 116 Cb 0.38 0.00 0.75 0.00 0.00 0.00 0.00 43.42 44.56 1bu9 n LEU 116 CO 1.08 0.00 1.36 -2.11 0.00 0.00 0.00 177.39 177.72 1bu9 n ARG 117 N -0.71 -0.01 0.02 1.96 -4.01 -1.26 0.16 116.66 112.81 1bu9 n ARG 117 Ca 0.00 1.06 -0.01 0.00 -1.04 0.00 0.00 57.85 57.86 1bu9 n ARG 117 Cb 0.00 -2.37 -0.00 0.00 -3.04 0.00 0.00 32.46 27.05 1bu9 n ARG 117 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1bu9 h VAL 118 N 0.00 0.00 -0.82 8.89 2.07 -1.56 -2.53 116.25 122.30 1bu9 h VAL 118 Ca 0.88 -0.07 0.21 0.00 0.82 0.00 0.00 66.70 68.54 1bu9 h VAL 118 Cb 3.42 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1bu9 h VAL 118 CO -0.10 0.00 0.57 0.58 0.02 0.00 0.00 177.57 178.64 1bu9 h VAL 119 N -0.14 0.64 -0.73 2.57 2.07 0.30 1.41 116.25 122.38 1bu9 h VAL 119 Ca -0.01 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1bu9 h VAL 119 Cb 0.05 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1bu9 h VAL 119 CO 0.01 0.03 0.48 -0.08 0.02 0.00 0.00 177.57 178.04 1bu9 h GLU 120 N 0.17 0.46 -0.01 1.57 4.22 0.15 -0.82 114.58 120.32 1bu9 h GLU 120 Ca 0.41 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.82 1bu9 h GLU 120 Cb 1.34 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1bu9 h GLU 120 CO -0.07 0.30 0.00 0.35 -2.18 0.00 0.00 179.01 177.41 1bu9 h PHE 121 N 0.47 0.02 -0.54 0.92 3.57 0.24 -2.72 116.94 118.90 1bu9 h PHE 121 Ca 0.35 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.95 1bu9 h PHE 121 Cb 0.71 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.36 1bu9 h PHE 121 CO -0.00 0.27 0.02 -0.07 -2.23 0.00 0.00 178.31 176.30 1bu9 h LEU 122 N -0.23 -0.18 -2.20 0.59 4.07 -1.07 1.02 115.31 117.31 1bu9 h LEU 122 Ca 0.00 0.12 0.05 0.00 0.08 0.00 0.00 57.88 58.14 1bu9 h LEU 122 Cb 0.26 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1bu9 h LEU 122 CO 0.00 -0.06 0.26 1.62 -1.08 0.00 0.00 178.44 179.18 1bu9 h VAL 123 N 0.14 0.33 -1.56 1.22 3.04 -1.24 -3.26 116.25 114.93 1bu9 h VAL 123 Ca 0.27 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 65.44 1bu9 h VAL 123 Cb 0.42 0.78 -0.06 0.00 -2.01 0.00 0.00 31.29 30.42 1bu9 h VAL 123 CO -0.43 0.00 -0.44 -0.54 -1.01 0.00 0.00 177.57 175.15 1bu9 s LYS 124 N -4.50 2.38 0.00 4.17 3.01 0.35 -4.62 119.74 120.54 1bu9 s LYS 124 Ca -0.04 -1.68 0.00 0.00 -1.01 0.00 0.00 55.97 53.24 1bu9 s LYS 124 Cb 0.14 -2.19 0.00 0.00 -1.01 0.00 0.00 37.83 34.77 1bu9 s LYS 124 CO 0.49 -0.15 0.00 0.72 0.51 0.00 0.00 175.35 176.92 1bu9 n HIS 125 N -1.39 0.00 -2.43 3.18 8.25 -1.26 -4.77 115.22 116.81 1bu9 n HIS 125 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 1bu9 n HIS 125 Cb 0.63 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.82 1bu9 n HIS 125 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1bu9 s THR 126 N 0.00 2.35 -1.14 1.59 -4.23 -1.25 -4.93 115.64 108.03 1bu9 s THR 126 Ca 0.00 -0.47 0.12 0.00 -1.18 0.00 0.00 61.69 60.17 1bu9 s THR 126 Cb 0.00 -2.89 0.14 0.00 1.34 0.00 0.00 72.50 71.09 1bu9 s THR 126 CO 0.00 0.00 1.36 0.00 -0.54 0.00 0.00 174.62 175.44 1bu9 n ALA 127 N -2.76 1.61 -1.72 3.99 0.00 -1.26 -4.80 120.51 115.57 1bu9 n ALA 127 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1bu9 n ALA 127 Cb 0.60 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1bu9 n ALA 127 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bu9 n SER 128 N -1.43 -8.95 -3.64 0.00 7.64 -1.23 -4.47 113.62 101.55 1bu9 n SER 128 Ca 0.04 1.31 -0.41 0.00 1.01 0.00 0.00 58.87 60.81 1bu9 n SER 128 Cb 0.13 -5.21 -0.01 0.00 -1.01 0.00 0.00 64.21 58.11 1bu9 n SER 128 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bu9 n ASN 129 N -0.86 5.62 -3.29 6.43 2.85 -1.26 -4.84 115.26 119.90 1bu9 n ASN 129 Ca 0.00 -2.86 -0.25 0.00 -0.11 0.00 0.00 54.58 51.36 1bu9 n ASN 129 Cb 0.00 -1.57 -0.05 0.00 1.24 0.00 0.00 39.78 39.40 1bu9 n ASN 129 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1bu9 n VAL 130 N 4.10 0.77 0.00 3.44 0.24 -1.26 -1.61 118.33 124.01 1bu9 n VAL 130 Ca 0.57 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1bu9 n VAL 130 Cb 0.33 -1.91 0.00 0.00 -1.47 0.00 0.00 33.84 30.79 1bu9 n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bu9 n GLY 131 N 4.35 0.27 1.77 7.63 0.00 -0.10 -4.49 105.19 114.62 1bu9 n GLY 131 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 1bu9 n GLY 131 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bu9 n HIS 132 N 0.00 -1.91 -3.86 1.61 -0.00 -0.63 -4.68 115.22 105.74 1bu9 n HIS 132 Ca 0.00 0.19 -0.30 0.00 0.46 0.00 0.00 57.72 58.07 1bu9 n HIS 132 Cb 0.00 -0.91 -0.15 0.00 -0.12 0.00 0.00 29.99 28.82 1bu9 n HIS 132 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1bu9 s ARG 133 N -0.69 1.17 0.00 1.57 3.03 -1.26 -2.35 118.95 120.42 1bu9 s ARG 133 Ca 0.29 -1.61 0.00 0.00 2.03 0.00 0.00 55.73 56.45 1bu9 s ARG 133 Cb -0.24 -2.62 0.00 0.00 -1.03 0.00 0.00 34.95 31.07 1bu9 s ARG 133 CO 0.39 -0.99 0.00 0.27 -1.13 0.00 0.00 175.30 173.84 1bu9 n ASN 134 N 4.35 0.00 0.07 -2.89 6.94 -1.21 -4.47 115.26 118.05 1bu9 n ASN 134 Ca 0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.36 1bu9 n ASN 134 Cb 0.41 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.68 1bu9 n ASN 134 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1bu9 h HIS 135 N 0.00 0.68 0.02 -2.53 3.86 -1.81 -3.40 115.15 111.97 1bu9 h HIS 135 Ca 0.00 -0.50 -0.40 0.00 -1.16 0.00 0.00 60.37 58.31 1bu9 h HIS 135 Cb 0.00 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.38 1bu9 h HIS 135 CO 0.00 1.56 -2.34 1.63 0.86 0.00 0.00 177.93 179.63 1bu9 n LYS 136 N -3.81 0.64 0.00 2.45 5.02 -1.26 -5.00 118.16 116.20 1bu9 n LYS 136 Ca -0.21 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1bu9 n LYS 136 Cb 0.99 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 1bu9 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bu9 n GLY 137 N 1.81 -0.23 3.54 0.72 0.00 -1.26 -4.99 105.19 104.78 1bu9 n GLY 137 Ca -0.46 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1bu9 n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bu9 n ASP 138 N 0.00 1.94 -3.05 1.61 9.92 -1.26 -4.10 116.55 121.61 1bu9 n ASP 138 Ca 0.00 -0.51 -0.14 0.00 -0.53 0.00 0.00 54.79 53.61 1bu9 n ASP 138 Cb 0.00 -1.49 0.13 0.00 -0.64 0.00 0.00 41.12 39.12 1bu9 n ASP 138 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1bu9 n THR 139 N 7.97 0.00 0.56 -3.53 -2.24 -0.99 -3.29 114.28 112.76 1bu9 n THR 139 Ca 0.42 -0.09 0.05 0.00 -2.27 0.00 0.00 64.05 62.16 1bu9 n THR 139 Cb 0.46 -0.71 0.27 0.00 -2.10 0.00 0.00 70.33 68.26 1bu9 n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 n ALA 140 N -4.12 1.79 -0.12 6.98 0.00 -1.26 -2.15 120.51 121.63 1bu9 n ALA 140 Ca -0.09 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 1bu9 n ALA 140 Cb 0.27 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 1bu9 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bu9 n ASP 142 N -3.36 0.60 -0.01 0.00 9.92 -0.91 -0.60 116.55 122.17 1bu9 n ASP 142 Ca -0.45 0.71 -0.01 0.00 -0.53 0.00 0.00 54.79 54.50 1bu9 n ASP 142 Cb 0.99 -0.81 -0.00 0.00 -0.64 0.00 0.00 41.12 40.65 1bu9 n ASP 142 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1bu9 n LEU 143 N -2.22 0.36 0.13 0.64 4.77 -1.04 -3.06 117.00 116.57 1bu9 n LEU 143 Ca 0.00 0.25 0.19 0.00 -0.03 0.00 0.00 56.01 56.43 1bu9 n LEU 143 Cb 0.13 -0.57 0.76 0.00 -2.33 0.00 0.00 43.42 41.42 1bu9 n LEU 143 CO 0.14 -0.48 1.17 0.00 -1.33 0.00 0.00 177.39 176.89 1bu9 h ALA 144 N -1.80 2.02 0.35 -1.18 0.00 -1.55 0.13 119.26 117.23 1bu9 h ALA 144 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bu9 h ALA 144 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bu9 h ALA 144 CO 0.00 -0.58 -0.17 -0.09 0.00 0.00 0.00 179.25 178.41 1bu9 h ARG 145 N 0.00 -0.45 -0.90 0.00 9.65 -0.95 0.44 114.38 122.17 1bu9 h ARG 145 Ca 0.16 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.22 1bu9 h ARG 145 Cb 0.96 0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 29.57 1bu9 h ARG 145 CO -0.00 -0.30 0.58 -0.07 2.80 0.00 0.00 179.97 182.98 1bu9 h LEU 146 N -0.82 0.68 -0.03 3.80 3.38 -1.31 0.76 115.31 121.77 1bu9 h LEU 146 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bu9 h LEU 146 Cb 0.36 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1bu9 h LEU 146 CO 0.08 0.35 0.00 -1.22 0.09 0.00 0.00 178.44 177.74 1bu9 n TYR 147 N -4.57 0.03 0.00 1.13 4.01 -0.03 -4.85 117.16 112.89 1bu9 n TYR 147 Ca 0.17 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1bu9 n TYR 147 Cb 0.45 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1bu9 n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bu9 n GLY 148 N -0.12 2.92 3.53 2.72 0.00 0.27 -4.99 105.19 109.52 1bu9 n GLY 148 Ca 0.03 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1bu9 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bu9 n ARG 149 N 0.00 0.33 -0.05 1.61 3.00 0.15 -4.71 116.66 116.99 1bu9 n ARG 149 Ca 0.00 -0.39 -0.20 0.00 -0.01 0.00 0.00 57.85 57.25 1bu9 n ARG 149 Cb 0.00 -2.44 -0.13 0.00 0.00 0.00 0.00 32.46 29.90 1bu9 n ARG 149 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 1bu9 h ASN 150 N 12.44 0.14 -0.85 0.55 7.08 -1.89 -2.42 115.58 130.64 1bu9 h ASN 150 Ca -0.00 -0.76 0.25 0.00 -3.08 0.00 0.00 56.30 52.70 1bu9 h ASN 150 Cb 1.09 -0.05 -0.03 0.00 -2.08 0.00 0.00 38.32 37.25 1bu9 h ASN 150 CO 1.30 1.41 0.77 1.05 -2.08 0.00 0.00 177.43 179.88 1bu9 h GLU 151 N -0.74 0.00 0.20 4.14 4.11 -1.95 2.80 114.58 123.15 1bu9 h GLU 151 Ca -0.24 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.87 1bu9 h GLU 151 Cb 1.40 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.67 1bu9 h GLU 151 CO -0.06 0.00 -1.46 0.28 0.07 0.00 0.00 179.01 177.84 1bu9 h VAL 152 N 0.00 1.28 0.30 -1.06 2.07 -1.88 -2.26 116.25 114.71 1bu9 h VAL 152 Ca 0.40 -2.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.13 1bu9 h VAL 152 Cb 1.94 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.68 1bu9 h VAL 152 CO -0.00 0.84 -0.15 0.58 0.02 0.00 0.00 177.57 178.86 1bu9 h VAL 153 N 0.12 0.00 -1.16 2.57 2.07 0.47 -2.92 116.25 117.40 1bu9 h VAL 153 Ca -0.24 -0.21 0.33 0.00 0.82 0.00 0.00 66.70 67.40 1bu9 h VAL 153 Cb 2.10 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.78 1bu9 h VAL 153 CO 0.24 0.00 0.77 0.77 0.02 0.00 0.00 177.57 179.37 1bu9 h SER 154 N -0.62 0.29 -0.56 0.57 4.64 0.18 1.24 113.55 119.30 1bu9 h SER 154 Ca -0.04 0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.46 1bu9 h SER 154 Cb 0.31 0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 62.33 1bu9 h SER 154 CO 0.07 0.01 -0.24 0.25 -0.87 0.00 0.00 176.83 176.05 1bu9 h LEU 155 N 0.23 -0.83 0.00 5.97 7.12 -1.21 0.26 115.31 126.84 1bu9 h LEU 155 Ca 0.65 0.20 -0.33 0.00 0.13 0.00 0.00 57.88 58.52 1bu9 h LEU 155 Cb 1.97 0.46 -0.05 0.00 -0.53 0.00 0.00 40.66 42.51 1bu9 h LEU 155 CO -0.25 -0.26 -1.82 0.23 -0.13 0.00 0.00 178.44 176.21 1bu9 n MET 156 N -5.43 0.58 -0.29 1.25 2.81 0.17 -2.74 117.12 113.46 1bu9 n MET 156 Ca 0.05 0.44 0.11 0.00 -1.81 0.00 0.00 57.70 56.49 1bu9 n MET 156 Cb 0.33 -1.64 0.25 0.00 -0.71 0.00 0.00 33.22 31.46 1bu9 n MET 156 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1bu9 h GLN 157 N -1.00 0.14 -0.01 0.03 4.20 0.13 0.05 115.11 118.65 1bu9 h GLN 157 Ca -0.50 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.12 1bu9 h GLN 157 Cb 1.44 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.19 1bu9 h GLN 157 CO -0.31 0.09 -0.32 0.00 -0.67 0.00 0.00 178.83 177.63 1bu9 h ALA 158 N 1.79 0.05 0.00 3.87 0.00 -0.63 -3.29 119.26 121.05 1bu9 h ALA 158 Ca 0.52 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1bu9 h ALA 158 Cb 1.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1bu9 h ALA 158 CO -0.70 0.14 -0.30 0.09 0.00 0.00 0.00 179.25 178.47 1bu9 n ASN 159 N -4.45 4.98 -3.16 0.00 3.02 -0.12 -4.80 115.26 110.73 1bu9 n ASN 159 Ca -0.10 -2.42 -0.04 0.00 -0.03 0.00 0.00 54.58 52.00 1bu9 n ASN 159 Cb 0.53 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 1bu9 n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bu9 n GLY 160 N 2.41 -0.53 0.00 7.41 0.00 -0.96 -4.85 105.19 108.67 1bu9 n GLY 160 Ca 0.36 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1bu9 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 n ALA 161 N 1.06 0.00 -1.00 4.61 0.00 -0.47 -4.64 120.51 120.06 1bu9 n ALA 161 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1bu9 n ALA 161 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1bu9 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bu9 n GLY 162 N -0.39 -0.82 3.71 0.00 0.00 -1.06 -0.92 105.19 105.70 1bu9 n GLY 162 Ca 0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1bu9 n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bu9 s GLY 163 N -0.06 1.63 -1.17 -0.02 0.00 -1.26 -4.63 107.32 101.81 1bu9 s GLY 163 Ca 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 44.72 44.58 1bu9 s GLY 163 CO 0.00 0.54 1.94 0.00 0.00 0.00 0.00 173.10 175.59 1bu9 s ALA 164 N -2.87 1.73 0.00 3.20 0.00 -1.26 -4.86 121.76 117.70 1bu9 s ALA 164 Ca 0.63 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1bu9 s ALA 164 Cb -0.19 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.26 1bu9 s ALA 164 CO 0.57 -5.31 0.00 2.41 0.00 0.00 0.00 175.76 173.44 1bu9 n THR 165 N 7.87 0.00 -1.56 0.00 -1.04 -1.26 -4.41 114.28 113.88 1bu9 n THR 165 Ca 0.44 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.90 1bu9 n THR 165 Cb 0.47 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.91 1bu9 n THR 165 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1bu9 n ASN 166 N -2.02 1.03 -4.57 8.00 3.02 -1.26 -4.76 115.26 114.70 1bu9 n ASN 166 Ca 0.00 1.13 -0.39 0.00 -0.03 0.00 0.00 54.58 55.29 1bu9 n ASN 166 Cb 0.00 -1.08 -0.03 0.00 -0.61 0.00 0.00 39.78 38.06 1bu9 n ASN 166 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bu9 s LEU 167 N 0.41 3.38 0.00 3.41 1.43 -1.26 -5.14 118.68 120.90 1bu9 s LEU 167 Ca 0.88 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1bu9 s LEU 167 Cb -1.08 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1bu9 s LEU 167 CO 0.52 -2.28 0.00 1.67 0.23 0.00 0.00 176.35 176.48