#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bu9 s ALA 2 N 0.00 -1.75 -0.44 -5.12 0.00 -1.26 -5.09 121.76 108.10 1bu9 s ALA 2 Ca 0.00 1.14 0.09 0.00 0.00 0.00 0.00 51.96 53.18 1bu9 s ALA 2 Cb 0.00 0.15 0.29 0.00 0.00 0.00 0.00 23.12 23.55 1bu9 s ALA 2 CO 0.00 -0.48 0.65 0.39 0.00 0.00 0.00 175.76 176.32 1bu9 n GLU 3 N 0.50 1.27 0.00 0.00 1.02 -1.26 -5.07 120.64 117.09 1bu9 n GLU 3 Ca -0.17 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.36 1bu9 n GLU 3 Cb 0.59 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1bu9 n GLU 3 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1bu9 n PRO 4 N 0.85 1.56 -1.19 3.49 -0.04 -1.26 -2.99 135.00 135.42 1bu9 n PRO 4 Ca 0.24 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.25 1bu9 n PRO 4 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 1bu9 n PRO 4 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1bu9 n TRP 5 N 0.00 0.21 0.00 0.54 8.01 -1.26 -2.24 117.44 122.70 1bu9 n TRP 5 Ca 0.00 0.84 0.00 0.00 -1.31 0.00 0.00 57.50 57.03 1bu9 n TRP 5 Cb 0.00 -1.66 0.00 0.00 -2.01 0.00 0.00 31.31 27.64 1bu9 n TRP 5 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bu9 n GLY 6 N 1.36 1.55 0.00 6.99 0.00 -1.26 -4.84 105.19 108.98 1bu9 n GLY 6 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.29 1.61 4.13 -0.95 -4.65 115.26 115.70 1bu9 n ASN 7 Ca 0.00 0.00 0.17 0.00 1.68 0.00 0.00 54.58 56.43 1bu9 n ASN 7 Cb 0.00 0.00 0.86 0.00 -1.54 0.00 0.00 39.78 39.10 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1bu9 h GLU 8 N 0.00 0.00 0.00 3.52 4.22 -1.60 -2.74 114.58 117.98 1bu9 h GLU 8 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1bu9 h GLU 8 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bu9 h GLU 8 CO 0.00 0.05 0.00 1.28 -2.18 0.00 0.00 179.01 178.16 1bu9 n LEU 9 N -3.28 0.15 0.19 1.64 7.99 -1.26 -0.41 117.00 122.02 1bu9 n LEU 9 Ca -0.01 0.77 0.16 0.00 -0.01 0.00 0.00 56.01 56.93 1bu9 n LEU 9 Cb 0.22 -0.37 0.65 0.00 -0.11 0.00 0.00 43.42 43.80 1bu9 n LEU 9 CO 0.26 -0.37 1.14 0.00 -1.51 0.00 0.00 177.39 176.91 1bu9 h ALA 10 N -2.00 1.86 -2.45 -1.18 0.00 -1.89 0.53 119.26 114.12 1bu9 h ALA 10 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bu9 h ALA 10 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1bu9 h ALA 10 CO 0.00 -0.68 0.00 0.43 0.00 0.00 0.00 179.25 179.00 1bu9 n SER 11 N -3.16 0.00 0.18 0.00 7.64 -0.97 -1.57 113.62 115.74 1bu9 n SER 11 Ca 0.04 0.30 -0.15 0.00 1.01 0.00 0.00 58.87 60.07 1bu9 n SER 11 Cb 0.66 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.00 -0.39 -0.95 -0.43 0.00 -0.38 1.22 119.26 116.32 1bu9 h ALA 12 Ca 0.00 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.02 1bu9 h ALA 12 Cb 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1bu9 h ALA 12 CO 0.00 -0.72 0.53 0.00 0.00 0.00 0.00 179.25 179.07 1bu9 h ALA 13 N 0.31 1.56 -0.60 0.00 0.00 -0.10 0.19 119.26 120.64 1bu9 h ALA 13 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bu9 h ALA 13 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1bu9 h ALA 13 CO 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1bu9 n ALA 14 N -2.37 2.38 -0.07 0.00 0.00 -0.61 0.26 120.51 120.10 1bu9 n ALA 14 Ca 0.22 -1.18 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 1bu9 n ALA 14 Cb 0.59 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 1bu9 n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bu9 n ARG 15 N 1.56 0.98 0.00 0.00 5.12 0.42 -4.54 116.66 120.19 1bu9 n ARG 15 Ca 0.22 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1bu9 n ARG 15 Cb 0.61 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bu9 n GLY 16 N 1.80 1.45 3.62 -0.13 0.00 0.21 -4.99 105.19 107.14 1bu9 n GLY 16 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1bu9 n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bu9 s ASP 17 N -2.00 6.30 -0.10 1.61 -1.08 -0.08 -4.90 116.67 116.42 1bu9 s ASP 17 Ca 0.00 1.51 -0.01 0.00 -0.52 0.00 0.00 52.55 53.53 1bu9 s ASP 17 Cb 0.00 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1bu9 s ASP 17 CO 0.00 -1.34 -0.01 0.25 0.52 0.00 0.00 175.17 174.58 1bu9 h LEU 18 N 12.05 0.00 -0.69 -1.34 6.46 -1.97 -3.34 115.31 126.48 1bu9 h LEU 18 Ca -0.33 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.38 1bu9 h LEU 18 Cb 1.15 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.05 1bu9 h LEU 18 CO 1.01 0.51 0.25 -0.08 -0.62 0.00 0.00 178.44 179.51 1bu9 h GLU 19 N -0.98 1.05 -1.36 1.25 4.81 -2.00 -2.16 114.58 115.20 1bu9 h GLU 19 Ca 0.00 -0.21 0.40 0.00 -0.13 0.00 0.00 59.36 59.42 1bu9 h GLU 19 Cb 0.04 -0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.18 1bu9 h GLU 19 CO 0.00 0.88 0.95 0.37 -0.73 0.00 0.00 179.01 180.48 1bu9 h GLN 20 N 0.99 0.07 -0.00 1.92 5.75 -1.97 0.62 115.11 122.49 1bu9 h GLN 20 Ca 0.23 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1bu9 h GLN 20 Cb 0.25 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1bu9 h GLN 20 CO -0.01 0.05 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.13 1bu9 h LEU 21 N 0.08 0.02 0.28 -2.39 4.07 -1.51 -2.33 115.31 113.53 1bu9 h LEU 21 Ca 0.69 -0.72 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1bu9 h LEU 21 Cb 2.53 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 44.26 1bu9 h LEU 21 CO -0.12 0.73 -0.14 0.74 -1.08 0.00 0.00 178.44 178.57 1bu9 h THR 22 N -0.70 0.74 -0.28 0.22 2.02 0.03 0.30 112.91 115.25 1bu9 h THR 22 Ca -0.00 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1bu9 h THR 22 Cb 0.73 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 67.88 1bu9 h THR 22 CO 0.00 0.03 -0.35 0.28 0.37 0.00 0.00 175.52 175.85 1bu9 h SER 23 N -0.45 -1.12 0.04 4.18 0.02 -0.19 1.21 113.55 117.25 1bu9 h SER 23 Ca -0.04 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1bu9 h SER 23 Cb 0.34 0.50 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 1bu9 h SER 23 CO 0.06 -0.35 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.32 1bu9 h LEU 24 N -0.34 0.00 0.25 5.07 4.07 -1.22 0.12 115.31 123.26 1bu9 h LEU 24 Ca 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1bu9 h LEU 24 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1bu9 h LEU 24 CO -0.46 0.01 -0.12 -0.07 -1.08 0.00 0.00 178.44 176.71 1bu9 h LEU 25 N 0.00 -0.28 -0.81 1.67 -0.00 0.51 0.25 115.31 116.64 1bu9 h LEU 25 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1bu9 h LEU 25 Cb 0.03 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1bu9 h LEU 25 CO 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 178.44 178.63 1bu9 n GLN 26 N -5.00 0.10 -0.05 1.13 10.64 0.17 -3.12 117.38 121.26 1bu9 n GLN 26 Ca -0.05 0.53 -0.03 0.00 -1.83 0.00 0.00 57.00 55.62 1bu9 n GLN 26 Cb 0.16 -1.79 -0.01 0.00 -0.86 0.00 0.00 30.24 27.74 1bu9 n GLN 26 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1bu9 n ASN 27 N -1.99 1.17 0.00 2.61 4.05 0.00 -5.07 115.26 116.02 1bu9 n ASN 27 Ca 0.00 0.46 0.00 0.00 0.45 0.00 0.00 54.58 55.49 1bu9 n ASN 27 Cb 0.07 -0.73 0.00 0.00 1.23 0.00 0.00 39.78 40.36 1bu9 n ASN 27 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bu9 n ASN 28 N -3.76 0.00 -4.03 1.20 5.15 0.86 -5.07 115.26 109.60 1bu9 n ASN 28 Ca -0.05 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.83 1bu9 n ASN 28 Cb 0.19 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.36 1bu9 n ASN 28 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1bu9 s VAL 29 N 0.00 0.05 -0.75 3.44 -7.23 -1.24 -4.70 120.40 109.97 1bu9 s VAL 29 Ca 0.00 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1bu9 s VAL 29 Cb 0.00 -2.04 0.25 0.00 0.56 0.00 0.00 36.38 35.15 1bu9 s VAL 29 CO 0.00 -0.22 0.84 0.59 -0.31 0.00 0.00 175.10 176.00 1bu9 n ASN 30 N -0.23 4.16 -0.21 4.85 4.13 -1.26 -4.89 115.26 121.80 1bu9 n ASN 30 Ca -0.05 -3.38 0.30 0.00 1.68 0.00 0.00 54.58 53.13 1bu9 n ASN 30 Cb 0.63 -0.82 0.57 0.00 -1.54 0.00 0.00 39.78 38.62 1bu9 n ASN 30 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1bu9 h VAL 31 N 3.46 0.10 -0.51 2.41 -1.51 -1.93 2.82 116.25 121.09 1bu9 h VAL 31 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 1bu9 h VAL 31 Cb 0.68 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 1bu9 h VAL 31 CO 0.91 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.84 1bu9 n ASN 32 N -3.48 3.46 -3.90 4.19 5.03 -1.26 -4.64 115.26 114.66 1bu9 n ASN 32 Ca 0.23 -2.06 0.00 0.00 0.87 0.00 0.00 54.58 53.62 1bu9 n ASN 32 Cb 1.38 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.78 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 0.95 0.00 -3.49 5.41 0.00 0.94 -4.93 120.51 119.39 1bu9 n ALA 33 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1bu9 n ALA 33 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 1bu9 n ALA 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1bu9 s GLN 34 N 0.00 0.30 0.96 0.00 0.74 -1.26 -4.06 119.66 116.34 1bu9 s GLN 34 Ca 0.00 0.65 -0.15 0.00 0.05 0.00 0.00 55.36 55.91 1bu9 s GLN 34 Cb 0.00 0.27 0.18 0.00 1.10 0.00 0.00 33.01 34.56 1bu9 s GLN 34 CO 0.00 -0.08 1.22 1.21 -0.55 0.00 0.00 175.29 177.09 1bu9 s ASN 35 N 1.97 3.09 0.56 6.67 2.47 -1.19 -4.68 114.94 123.82 1bu9 s ASN 35 Ca -0.05 0.58 0.25 0.00 0.42 0.00 0.00 52.86 54.05 1bu9 s ASN 35 Cb -0.05 -0.85 1.53 0.00 -1.45 0.00 0.00 41.25 40.43 1bu9 s ASN 35 CO -0.16 -2.78 2.12 1.23 -3.72 0.00 0.00 177.10 173.80 1bu9 h GLY 36 N -1.66 0.00 2.00 1.21 0.00 -1.92 0.52 103.07 103.21 1bu9 h GLY 36 Ca -0.46 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1bu9 h GLY 36 CO 0.48 0.00 -0.22 -2.75 0.00 0.00 0.00 176.54 174.04 1bu9 h PHE 37 N 0.00 0.00 -0.00 5.60 3.04 -1.98 -3.46 116.94 120.14 1bu9 h PHE 37 Ca 0.08 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1bu9 h PHE 37 Cb 0.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1bu9 h PHE 37 CO 0.00 0.22 0.00 0.41 -2.02 0.00 0.00 178.31 176.92 1bu9 n GLY 38 N -0.11 1.86 2.70 2.40 0.00 0.18 -3.73 105.19 108.49 1bu9 n GLY 38 Ca -0.01 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.19 -0.06 0.57 1.61 3.03 -1.25 -3.22 118.95 118.42 1bu9 s ARG 39 Ca 0.00 0.40 -0.20 0.00 2.03 0.00 0.00 55.73 57.96 1bu9 s ARG 39 Cb 0.00 -0.47 -0.05 0.00 -1.03 0.00 0.00 34.95 33.40 1bu9 s ARG 39 CO 0.00 -0.32 1.11 0.25 -1.13 0.00 0.00 175.30 175.21 1bu9 n THR 40 N 5.26 3.67 0.04 4.99 -2.24 -1.26 -3.20 114.28 121.55 1bu9 n THR 40 Ca -0.04 -0.50 0.21 0.00 -2.27 0.00 0.00 64.05 61.45 1bu9 n THR 40 Cb 0.50 -1.33 0.65 0.00 -2.10 0.00 0.00 70.33 68.05 1bu9 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 h ALA 41 N 0.90 2.26 0.00 6.98 0.00 -1.89 2.43 119.26 129.95 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 1.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1bu9 h ALA 41 CO 0.54 -0.92 0.00 -0.11 0.00 0.00 0.00 179.25 178.75 1bu9 n LEU 42 N -3.46 0.45 -0.12 0.00 7.94 -1.26 0.10 117.00 120.65 1bu9 n LEU 42 Ca 0.10 0.66 -0.23 0.00 -1.11 0.00 0.00 56.01 55.44 1bu9 n LEU 42 Cb 0.85 -0.66 -0.09 0.00 0.53 0.00 0.00 43.42 44.05 1bu9 n LEU 42 CO 0.24 -0.67 -0.94 0.00 -1.11 0.00 0.00 177.39 174.91 1bu9 n GLN 43 N -2.05 0.56 -0.00 1.96 6.02 0.82 -4.36 117.38 120.33 1bu9 n GLN 43 Ca 0.01 0.39 -0.03 0.00 -0.01 0.00 0.00 57.00 57.36 1bu9 n GLN 43 Cb 0.11 -1.59 0.21 0.00 1.02 0.00 0.00 30.24 29.99 1bu9 n GLN 43 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1bu9 h VAL 44 N -1.00 1.25 0.00 5.09 -1.51 -1.31 -3.45 116.25 115.31 1bu9 h VAL 44 Ca -0.44 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 63.89 1bu9 h VAL 44 Cb 1.34 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 1bu9 h VAL 44 CO -0.27 0.37 0.00 1.15 -1.23 0.00 0.00 177.57 177.59 1bu9 n MET 45 N -4.16 0.00 -1.50 5.19 0.00 0.28 -4.17 117.12 112.76 1bu9 n MET 45 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.43 1bu9 n MET 45 Cb 0.36 0.00 -0.20 0.00 0.00 0.00 0.00 33.22 33.38 1bu9 n MET 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1bu9 n LYS 46 N 0.00 0.02 0.30 3.17 4.76 0.73 -4.60 118.16 122.54 1bu9 n LYS 46 Ca 0.00 -0.02 0.13 0.00 -2.87 0.00 0.00 58.31 55.55 1bu9 n LYS 46 Cb 0.00 -1.22 0.64 0.00 -1.84 0.00 0.00 35.03 32.61 1bu9 n LYS 46 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bu9 h LEU 47 N 11.59 0.00 -0.19 -0.35 -0.00 -1.88 -0.32 115.31 124.16 1bu9 h LEU 47 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1bu9 h LEU 47 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 1bu9 h LEU 47 CO 1.54 0.00 -0.18 1.23 -0.00 0.00 0.00 178.44 181.03 1bu9 h GLY 48 N 0.00 -1.82 -5.08 0.83 0.00 -1.95 -3.27 103.07 91.78 1bu9 h GLY 48 Ca 0.03 0.89 -0.57 0.00 0.00 0.00 0.00 47.33 47.68 1bu9 h GLY 48 CO -0.00 -0.60 -0.01 0.54 0.00 0.00 0.00 176.54 176.47 1bu9 s ASN 49 N -3.56 6.92 0.11 0.19 2.20 -0.13 -4.89 114.94 115.78 1bu9 s ASN 49 Ca -0.04 1.10 0.24 0.00 -0.94 0.00 0.00 52.86 53.21 1bu9 s ASN 49 Cb 0.03 -2.36 0.20 0.00 -2.00 0.00 0.00 41.25 37.11 1bu9 s ASN 49 CO 0.19 0.00 1.18 -0.81 -2.94 0.00 0.00 177.10 174.73 1bu9 n PRO 50 N 3.30 0.34 0.22 3.55 -0.04 -1.23 -3.21 135.00 137.93 1bu9 n PRO 50 Ca -0.05 0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1bu9 n PRO 50 Cb 0.51 -1.68 0.50 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.27 0.54 4.11 -1.90 -2.53 114.58 114.53 1bu9 h GLU 51 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 1bu9 h GLU 51 Cb 0.78 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1bu9 h GLU 51 CO 0.00 0.24 -0.23 0.82 0.07 0.00 0.00 179.01 179.91 1bu9 h ILE 52 N 0.00 0.00 -0.12 -1.06 1.08 -1.85 0.57 117.51 116.13 1bu9 h ILE 52 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1bu9 h ILE 52 Cb 0.67 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1bu9 h ILE 52 CO 0.03 0.00 0.07 0.00 -0.69 0.00 0.00 178.15 177.56 1bu9 h ALA 53 N -0.61 0.15 -0.66 1.87 0.00 -1.76 -3.01 119.26 115.23 1bu9 h ALA 53 Ca 0.04 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1bu9 h ALA 53 Cb 0.20 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1bu9 h ALA 53 CO -0.30 -0.33 -0.39 -2.13 0.00 0.00 0.00 179.25 176.10 1bu9 n ARG 54 N -4.97 -0.29 -0.30 0.00 0.63 -0.05 0.26 116.66 111.94 1bu9 n ARG 54 Ca -0.05 1.23 0.12 0.00 -0.92 0.00 0.00 57.85 58.23 1bu9 n ARG 54 Cb 0.06 -1.82 0.26 0.00 0.45 0.00 0.00 32.46 31.41 1bu9 n ARG 54 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bu9 h ARG 55 N 0.00 0.12 0.13 -0.14 2.47 0.18 2.34 114.38 119.47 1bu9 h ARG 55 Ca 0.11 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1bu9 h ARG 55 Cb 0.27 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1bu9 h ARG 55 CO -0.62 0.08 -0.06 -0.07 0.56 0.00 0.00 179.97 179.85 1bu9 h LEU 56 N 0.12 -0.15 0.42 3.04 3.38 0.16 -3.05 115.31 119.23 1bu9 h LEU 56 Ca 0.53 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1bu9 h LEU 56 Cb 1.06 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1bu9 h LEU 56 CO -0.74 0.42 -0.36 0.25 0.09 0.00 0.00 178.44 178.10 1bu9 h LEU 57 N -0.81 -0.96 -0.99 1.67 7.12 0.56 -2.44 115.31 119.45 1bu9 h LEU 57 Ca -0.02 0.07 0.34 0.00 0.13 0.00 0.00 57.88 58.40 1bu9 h LEU 57 Cb 0.55 0.31 -0.16 0.00 -0.53 0.00 0.00 40.66 40.83 1bu9 h LEU 57 CO 0.03 -0.50 0.52 0.25 -0.13 0.00 0.00 178.44 178.61 1bu9 h LEU 58 N -0.76 0.40 -1.84 2.25 5.85 0.37 2.50 115.31 124.08 1bu9 h LEU 58 Ca -0.05 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1bu9 h LEU 58 Cb 0.64 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1bu9 h LEU 58 CO -0.01 -0.22 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.77 1bu9 h ARG 59 N 0.23 0.00 0.00 1.25 1.12 -1.33 -3.44 114.38 112.20 1bu9 h ARG 59 Ca 0.74 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.61 1bu9 h ARG 59 Cb 1.75 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.71 1bu9 h ARG 59 CO -0.66 0.02 0.00 0.41 -3.11 0.00 0.00 179.97 176.63 1bu9 n GLY 60 N -0.27 0.11 3.50 2.80 0.00 0.82 -5.11 105.19 107.04 1bu9 n GLY 60 Ca -0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 2.74 -0.24 4.61 0.00 0.03 -4.83 121.76 124.07 1bu9 s ALA 61 Ca 0.00 -1.47 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 1bu9 s ALA 61 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1bu9 s ALA 61 CO 0.00 0.50 0.58 -0.80 0.00 0.00 0.00 175.76 176.05 1bu9 s ASN 62 N -2.53 6.55 -0.02 0.00 0.01 -1.26 -4.70 114.94 113.00 1bu9 s ASN 62 Ca 0.21 0.67 0.02 0.00 -0.71 0.00 0.00 52.86 53.05 1bu9 s ASN 62 Cb -0.09 -2.32 0.10 0.00 0.41 0.00 0.00 41.25 39.35 1bu9 s ASN 62 CO 0.12 -0.31 0.80 -0.81 -1.51 0.00 0.00 177.10 175.38 1bu9 n PRO 63 N 5.45 1.40 -0.01 -0.60 -0.04 -1.26 -3.13 135.00 136.80 1bu9 n PRO 63 Ca -0.02 -0.38 -0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1bu9 n PRO 63 Cb 0.49 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1bu9 n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bu9 n ASP 64 N -0.02 3.73 -1.33 3.54 -0.08 -1.26 -3.41 116.55 117.71 1bu9 n ASP 64 Ca 0.03 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.17 1bu9 n ASP 64 Cb 0.27 0.92 -0.04 0.00 2.34 0.00 0.00 41.12 44.61 1bu9 n ASP 64 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bu9 n LEU 65 N -1.96 0.13 -4.73 -2.67 4.77 -1.18 -3.88 117.00 107.48 1bu9 n LEU 65 Ca -0.05 0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1bu9 n LEU 65 Cb 0.42 -0.28 0.12 0.00 -2.33 0.00 0.00 43.42 41.36 1bu9 n LEU 65 CO 0.11 -0.22 0.68 -0.54 -1.33 0.00 0.00 177.39 176.10 1bu9 s LYS 66 N 2.44 1.72 0.00 3.23 -0.14 -1.26 -2.66 119.74 123.07 1bu9 s LYS 66 Ca 0.40 1.19 0.00 0.00 -1.36 0.00 0.00 55.97 56.20 1bu9 s LYS 66 Cb -0.40 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 33.92 1bu9 s LYS 66 CO 0.16 -2.03 0.00 -0.40 -0.76 0.00 0.00 175.35 172.32 1bu9 n ASP 67 N -3.79 0.87 -0.19 2.83 5.75 -0.79 -4.74 116.55 116.50 1bu9 n ASP 67 Ca 0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1bu9 n ASP 67 Cb 0.53 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.70 1bu9 n ASP 67 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1bu9 h ARG 68 N 0.00 0.09 -0.88 0.11 2.43 -1.63 1.04 114.38 115.54 1bu9 h ARG 68 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1bu9 h ARG 68 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1bu9 h ARG 68 CO 0.00 0.06 0.00 0.25 -1.51 0.00 0.00 179.97 178.77 1bu9 n THR 69 N -5.29 0.72 -1.33 0.20 -2.24 -1.26 -4.78 114.28 100.30 1bu9 n THR 69 Ca 0.07 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 1bu9 n THR 69 Cb 0.32 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 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 0.17 1.12 3.60 3.38 0.00 0.36 0.10 105.19 113.92 1bu9 n GLY 70 Ca 0.07 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.05 2.22 0.65 1.61 0.40 -1.26 -3.51 117.98 116.05 1bu9 s PHE 71 Ca 0.00 0.65 -0.18 0.00 -0.60 0.00 0.00 56.93 56.80 1bu9 s PHE 71 Cb 0.00 -4.27 -0.02 0.00 0.51 0.00 0.00 43.02 39.24 1bu9 s PHE 71 CO 0.00 -2.23 1.15 0.00 0.70 0.00 0.00 175.22 174.84 1bu9 n ALA 72 N 9.34 0.66 -0.37 5.36 0.00 -1.22 -1.89 120.51 132.38 1bu9 n ALA 72 Ca 0.18 -0.03 0.35 0.00 0.00 0.00 0.00 53.44 53.94 1bu9 n ALA 72 Cb 0.48 -2.23 0.72 0.00 0.00 0.00 0.00 19.45 18.41 1bu9 n ALA 72 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1bu9 h VAL 73 N 0.36 0.37 -0.96 0.00 3.04 -1.62 2.70 116.25 120.14 1bu9 h VAL 73 Ca -0.50 -0.02 0.13 0.00 -1.01 0.00 0.00 66.70 65.30 1bu9 h VAL 73 Cb 1.35 0.30 -0.09 0.00 -2.01 0.00 0.00 31.29 30.84 1bu9 h VAL 73 CO 0.51 0.01 0.58 0.40 -1.01 0.00 0.00 177.57 178.07 1bu9 h ILE 74 N 0.06 0.88 0.07 3.17 2.04 -1.86 0.15 117.51 122.02 1bu9 h ILE 74 Ca 0.62 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 1bu9 h ILE 74 Cb 2.33 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1bu9 h ILE 74 CO -0.07 0.16 -0.12 0.45 0.00 0.00 0.00 178.15 178.57 1bu9 h HIS 75 N 0.90 -0.35 -0.96 1.37 3.86 0.45 0.35 115.15 120.77 1bu9 h HIS 75 Ca 0.49 0.01 0.33 0.00 -1.16 0.00 0.00 60.37 60.03 1bu9 h HIS 75 Cb 0.53 0.14 -0.18 0.00 1.06 0.00 0.00 27.41 28.97 1bu9 h HIS 75 CO -0.02 -0.15 0.25 -0.25 0.86 0.00 0.00 177.93 178.62 1bu9 n ASP 76 N -3.10 0.10 0.27 2.45 8.00 -0.62 0.31 116.55 123.95 1bu9 n ASP 76 Ca -0.02 1.62 -0.11 0.00 0.71 0.00 0.00 54.79 56.98 1bu9 n ASP 76 Cb 0.10 -0.68 -0.05 0.00 -0.02 0.00 0.00 41.12 40.47 1bu9 n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bu9 h ALA 77 N 1.92 -0.96 0.00 2.24 0.00 0.92 -3.31 119.26 120.08 1bu9 h ALA 77 Ca 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1bu9 h ALA 77 Cb 1.65 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1bu9 h ALA 77 CO -0.83 -0.91 -0.09 0.00 0.00 0.00 0.00 179.25 177.42 1bu9 h ALA 78 N -1.52 0.01 -0.33 0.00 0.00 0.14 1.22 119.26 118.78 1bu9 h ALA 78 Ca -0.07 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1bu9 h ALA 78 Cb 0.54 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1bu9 h ALA 78 CO 0.12 -0.02 -0.20 -2.13 0.00 0.00 0.00 179.25 177.02 1bu9 n ARG 79 N -4.62 -0.15 -0.02 0.00 0.00 0.91 -0.42 116.66 112.37 1bu9 n ARG 79 Ca -0.10 0.55 -0.11 0.00 -0.00 0.00 0.00 57.85 58.19 1bu9 n ARG 79 Cb 0.45 -0.80 -0.09 0.00 0.00 0.00 0.00 32.46 32.02 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 0.12 -0.08 0.00 5.13 0.00 -1.71 -3.41 119.26 119.32 1bu9 h ALA 80 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bu9 h ALA 80 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bu9 h ALA 80 CO -0.31 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.21 1bu9 n GLY 81 N 1.12 -0.42 2.82 0.00 0.00 0.44 -5.02 105.19 104.14 1bu9 n GLY 81 Ca -0.08 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 2.71 -0.02 1.61 0.08 0.42 -4.97 117.98 117.81 1bu9 s PHE 82 Ca 0.00 -2.90 -0.22 0.00 0.12 0.00 0.00 56.93 53.94 1bu9 s PHE 82 Cb 0.00 -2.35 -0.14 0.00 -0.57 0.00 0.00 43.02 39.96 1bu9 s PHE 82 CO 0.00 -0.72 0.95 1.25 -0.10 0.00 0.00 175.22 176.60 1bu9 h LEU 83 N 6.29 -0.43 -1.55 -0.37 5.85 -1.93 0.45 115.31 123.63 1bu9 h LEU 83 Ca 0.01 -0.13 0.20 0.00 0.84 0.00 0.00 57.88 58.81 1bu9 h LEU 83 Cb 0.88 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1bu9 h LEU 83 CO 0.60 0.01 0.81 0.44 -0.34 0.00 0.00 178.44 179.96 1bu9 h ASP 84 N -0.98 0.00 0.31 1.25 3.32 -1.94 3.13 116.42 121.51 1bu9 h ASP 84 Ca -0.05 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.67 1bu9 h ASP 84 Cb 0.53 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.09 1bu9 h ASP 84 CO 0.08 0.00 -1.57 0.74 -1.72 0.00 0.00 179.24 176.77 1bu9 h THR 85 N 0.00 1.14 0.00 0.35 2.02 -1.73 -2.67 112.91 112.02 1bu9 h THR 85 Ca 0.33 -2.69 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 1bu9 h THR 85 Cb 1.95 2.87 -0.00 0.00 -1.74 0.00 0.00 68.15 71.23 1bu9 h THR 85 CO -0.00 0.84 -0.06 0.25 0.37 0.00 0.00 175.52 176.92 1bu9 h LEU 86 N 0.11 0.00 -0.10 2.58 6.46 1.00 -1.48 115.31 123.87 1bu9 h LEU 86 Ca -0.28 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.35 1bu9 h LEU 86 Cb 2.10 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 42.03 1bu9 h LEU 86 CO 0.21 0.06 -0.47 1.56 -0.62 0.00 0.00 178.44 179.18 1bu9 h GLN 87 N 0.00 0.50 -0.36 1.25 4.20 0.13 -1.86 115.11 118.97 1bu9 h GLN 87 Ca -0.00 -0.40 0.07 0.00 0.06 0.00 0.00 58.65 58.38 1bu9 h GLN 87 Cb 0.26 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 1bu9 h GLN 87 CO 0.01 1.03 -0.11 1.15 -0.67 0.00 0.00 178.83 180.24 1bu9 h THR 88 N 0.09 0.61 0.00 -0.54 2.02 -0.93 0.21 112.91 114.36 1bu9 h THR 88 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1bu9 h THR 88 Cb 1.11 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1bu9 h THR 88 CO 0.10 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.17 1bu9 n LEU 89 N -5.30 0.00 -0.27 2.58 7.99 -1.00 0.64 117.00 121.64 1bu9 n LEU 89 Ca 0.01 0.87 -0.02 0.00 -0.01 0.00 0.00 56.01 56.86 1bu9 n LEU 89 Cb 0.21 -0.37 0.04 0.00 -0.11 0.00 0.00 43.42 43.19 1bu9 n LEU 89 CO 0.16 -0.37 0.63 0.25 -1.51 0.00 0.00 177.39 176.55 1bu9 h LEU 90 N 0.00 -1.14 -1.15 2.23 7.12 -1.22 1.25 115.31 122.40 1bu9 h LEU 90 Ca 0.00 0.25 0.14 0.00 0.13 0.00 0.00 57.88 58.41 1bu9 h LEU 90 Cb 0.00 0.61 -0.08 0.00 -0.53 0.00 0.00 40.66 40.66 1bu9 h LEU 90 CO 0.00 -0.29 0.60 -0.08 -0.13 0.00 0.00 178.44 178.54 1bu9 h GLU 91 N -0.08 0.79 -1.12 1.25 4.57 -0.45 0.56 114.58 120.10 1bu9 h GLU 91 Ca 0.30 -0.05 -0.35 0.00 -1.18 0.00 0.00 59.36 58.08 1bu9 h GLU 91 Cb 0.58 -0.18 -0.19 0.00 -0.16 0.00 0.00 28.75 28.80 1bu9 h GLU 91 CO -0.81 0.52 0.45 1.19 -1.18 0.00 0.00 179.01 179.19 1bu9 n PHE 92 N -4.61 1.93 -4.01 0.92 3.72 0.42 -4.89 117.46 110.93 1bu9 n PHE 92 Ca 0.19 -1.63 -0.44 0.00 -0.05 0.00 0.00 57.45 55.52 1bu9 n PHE 92 Cb 0.44 -0.81 0.02 0.00 -0.94 0.00 0.00 39.48 38.19 1bu9 n PHE 92 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bu9 n GLN 93 N -0.35 -0.43 0.00 -1.08 6.02 0.19 -4.44 117.38 117.29 1bu9 n GLN 93 Ca 0.38 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1bu9 n GLN 93 Cb 1.02 -2.82 0.00 0.00 1.02 0.00 0.00 30.24 29.47 1bu9 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bu9 n ALA 94 N -4.91 -0.10 0.00 -1.58 0.00 -0.82 -4.62 120.51 108.48 1bu9 n ALA 94 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1bu9 n ALA 94 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1bu9 n ALA 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bu9 n ASP 95 N -1.76 0.00 -0.08 0.00 9.92 -1.26 -4.24 116.55 119.12 1bu9 n ASP 95 Ca 0.00 0.00 0.25 0.00 -0.53 0.00 0.00 54.79 54.51 1bu9 n ASP 95 Cb 0.00 0.00 0.61 0.00 -0.64 0.00 0.00 41.12 41.09 1bu9 n ASP 95 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bu9 h VAL 96 N 0.00 0.18 -0.77 2.53 2.07 -1.96 2.38 116.25 120.69 1bu9 h VAL 96 Ca 0.00 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 67.04 1bu9 h VAL 96 Cb 0.00 0.33 -0.27 0.00 -1.52 0.00 0.00 31.29 29.83 1bu9 h VAL 96 CO 0.00 0.00 0.23 0.59 0.02 0.00 0.00 177.57 178.41 1bu9 n ASN 97 N -3.50 4.88 -4.60 0.57 3.02 -1.26 -4.50 115.26 109.87 1bu9 n ASN 97 Ca 0.16 -3.75 -0.43 0.00 -0.03 0.00 0.00 54.58 50.53 1bu9 n ASN 97 Cb 1.10 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1bu9 n ASN 97 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1bu9 s ILE 98 N -4.03 4.21 0.00 2.41 -1.16 0.80 -4.96 121.20 118.47 1bu9 s ILE 98 Ca 0.55 1.19 0.00 0.00 -0.51 0.00 0.00 60.65 61.88 1bu9 s ILE 98 Cb 0.46 -4.60 0.00 0.00 0.61 0.00 0.00 42.46 38.92 1bu9 s ILE 98 CO 0.03 -1.01 0.00 -0.62 -2.81 0.00 0.00 174.94 170.52 1bu9 n GLU 99 N 7.83 2.13 0.00 3.50 1.02 -1.26 -3.03 120.64 130.83 1bu9 n GLU 99 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1bu9 n GLU 99 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 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 0.00 -1.49 1.62 5.75 0.57 -3.43 116.55 119.57 1bu9 n ASP 100 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 1bu9 n ASP 100 Cb 0.00 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.24 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 3.46 0.00 -1.12 2.85 0.12 -4.30 115.26 116.27 1bu9 n ASN 101 Ca 0.00 -2.71 0.00 0.00 -0.11 0.00 0.00 54.58 51.76 1bu9 n ASN 101 Cb 0.00 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.37 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 -0.09 0.00 0.00 1.20 1.02 -1.26 -4.95 120.64 116.56 1bu9 n GLU 102 Ca 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1bu9 n GLU 102 Cb 0.98 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 32.27 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 -0.70 0.00 3.75 0.62 0.00 -1.26 -4.02 105.19 103.58 1bu9 n GLY 103 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 7.61 0.49 1.61 -0.87 -1.26 -3.97 114.94 118.55 1bu9 s ASN 104 Ca 0.00 1.90 0.03 0.00 -1.57 0.00 0.00 52.86 53.23 1bu9 s ASN 104 Cb 0.00 -2.59 0.02 0.00 -0.02 0.00 0.00 41.25 38.65 1bu9 s ASN 104 CO 0.00 0.16 0.68 -0.76 -2.57 0.00 0.00 177.10 174.61 1bu9 s LEU 105 N -1.13 3.48 0.58 0.60 1.43 -1.26 0.21 118.68 122.59 1bu9 s LEU 105 Ca 0.41 -0.09 0.31 0.00 -1.03 0.00 0.00 54.13 53.73 1bu9 s LEU 105 Cb -0.26 -2.85 1.78 0.00 0.03 0.00 0.00 46.19 44.90 1bu9 s LEU 105 CO 0.31 -0.93 2.21 1.55 0.23 0.00 0.00 176.35 179.73 1bu9 h PRO 106 N 0.33 0.00 0.23 1.29 0.13 -1.82 0.35 132.00 132.51 1bu9 h PRO 106 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1bu9 h PRO 106 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1bu9 h PRO 106 CO 0.51 0.04 -0.11 1.25 -0.23 0.00 0.00 178.00 179.46 1bu9 h LEU 107 N 0.00 -0.27 -1.84 1.56 6.46 -1.87 1.62 115.31 120.98 1bu9 h LEU 107 Ca -0.00 -0.24 0.35 0.00 -0.12 0.00 0.00 57.88 57.87 1bu9 h LEU 107 Cb 0.11 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.05 1bu9 h LEU 107 CO 0.00 0.24 0.87 0.45 -0.62 0.00 0.00 178.44 179.38 1bu9 h HIS 108 N -0.93 0.16 0.03 1.25 3.86 -1.43 0.87 115.15 118.96 1bu9 h HIS 108 Ca -0.03 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1bu9 h HIS 108 Cb 0.49 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1bu9 h HIS 108 CO 0.06 -0.00 -0.02 -0.07 0.86 0.00 0.00 177.93 178.76 1bu9 h LEU 109 N 0.08 -0.04 -1.95 2.43 4.07 0.22 0.70 115.31 120.82 1bu9 h LEU 109 Ca 0.62 0.00 0.46 0.00 0.08 0.00 0.00 57.88 59.04 1bu9 h LEU 109 Cb 2.27 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 43.95 1bu9 h LEU 109 CO -0.09 0.03 1.12 0.00 -1.08 0.00 0.00 178.44 178.42 1bu9 h ALA 110 N -1.86 3.44 0.14 1.53 0.00 0.34 2.55 119.26 125.39 1bu9 h ALA 110 Ca -0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1bu9 h ALA 110 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bu9 h ALA 110 CO 0.01 -1.90 -1.46 0.00 0.00 0.00 0.00 179.25 175.89 1bu9 h ALA 111 N 1.24 0.18 -0.73 0.00 0.00 0.71 1.22 119.26 121.87 1bu9 h ALA 111 Ca 0.76 -1.03 0.14 0.00 0.00 0.00 0.00 54.91 54.78 1bu9 h ALA 111 Cb 2.99 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 20.85 1bu9 h ALA 111 CO -0.04 1.05 -0.26 -0.22 0.00 0.00 0.00 179.25 179.78 1bu9 h LYS 112 N 0.08 -0.05 0.01 0.00 3.11 1.08 0.42 116.57 121.22 1bu9 h LYS 112 Ca -0.22 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.41 1bu9 h LYS 112 Cb 2.02 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 33.26 1bu9 h LYS 112 CO 0.18 -0.03 -0.93 0.93 -2.81 0.00 0.00 179.45 176.79 1bu9 h GLU 113 N -0.05 0.28 0.00 1.90 4.39 -1.53 -3.47 114.58 116.10 1bu9 h GLU 113 Ca 0.32 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bu9 h GLU 113 Cb 0.56 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1bu9 h GLU 113 CO -0.77 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 178.52 1bu9 n GLY 114 N 0.96 1.64 3.51 -3.84 0.00 0.15 -4.93 105.19 102.68 1bu9 n GLY 114 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.99 0.55 0.00 1.61 8.25 0.41 -4.75 115.22 120.29 1bu9 n HIS 115 Ca 0.00 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 1bu9 n HIS 115 Cb 0.00 -1.57 0.00 0.00 1.12 0.00 0.00 29.99 29.54 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 13.26 0.00 -0.61 2.41 7.94 -1.26 0.19 117.00 138.93 1bu9 n LEU 116 Ca 0.45 0.23 0.47 0.00 -1.11 0.00 0.00 56.01 56.05 1bu9 n LEU 116 Cb 0.44 0.00 0.73 0.00 0.53 0.00 0.00 43.42 45.12 1bu9 n LEU 116 CO 0.94 0.00 1.32 -2.11 -1.11 0.00 0.00 177.39 176.44 1bu9 n ARG 117 N -0.41 -0.01 0.00 1.96 -4.01 -1.26 0.23 116.66 113.17 1bu9 n ARG 117 Ca 0.00 1.03 -0.00 0.00 -1.04 0.00 0.00 57.85 57.84 1bu9 n ARG 117 Cb 0.00 -2.30 -0.00 0.00 -3.04 0.00 0.00 32.46 27.12 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 -0.89 8.89 2.07 -1.40 -2.73 116.25 122.20 1bu9 h VAL 118 Ca 0.86 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 68.49 1bu9 h VAL 118 Cb 3.31 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 33.01 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 -0.02 0.90 -1.10 2.57 2.07 0.46 0.58 116.25 121.71 1bu9 h VAL 119 Ca -0.00 -0.27 0.30 0.00 0.82 0.00 0.00 66.70 67.55 1bu9 h VAL 119 Cb 0.01 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 29.75 1bu9 h VAL 119 CO 0.00 0.14 0.74 -0.08 0.02 0.00 0.00 177.57 178.40 1bu9 h GLU 120 N 0.78 0.20 -0.17 1.57 4.22 0.29 0.79 114.58 122.26 1bu9 h GLU 120 Ca 0.43 -0.01 -0.20 0.00 0.08 0.00 0.00 59.36 59.65 1bu9 h GLU 120 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1bu9 h GLU 120 CO -0.19 0.13 -0.71 0.35 -2.18 0.00 0.00 179.01 176.41 1bu9 h PHE 121 N 0.21 0.94 -0.79 0.92 3.04 0.50 -2.08 116.94 119.68 1bu9 h PHE 121 Ca 0.58 -0.39 0.21 0.00 3.98 0.00 0.00 57.97 62.34 1bu9 h PHE 121 Cb 1.85 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 40.16 1bu9 h PHE 121 CO -0.00 1.20 0.55 -0.07 -2.02 0.00 0.00 178.31 177.97 1bu9 h LEU 122 N 0.50 0.14 0.00 0.59 -0.00 0.74 0.33 115.31 117.61 1bu9 h LEU 122 Ca -0.03 0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 57.70 1bu9 h LEU 122 Cb 1.32 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.94 1bu9 h LEU 122 CO 0.14 0.06 -1.18 1.62 -0.00 0.00 0.00 178.44 179.08 1bu9 h VAL 123 N 0.14 0.68 -2.91 1.22 3.04 -1.25 0.74 116.25 117.91 1bu9 h VAL 123 Ca 0.39 -2.18 -0.60 0.00 -1.01 0.00 0.00 66.70 63.30 1bu9 h VAL 123 Cb 1.31 2.20 -0.04 0.00 -2.01 0.00 0.00 31.29 32.76 1bu9 h VAL 123 CO -0.06 0.39 -0.45 -0.75 -1.01 0.00 0.00 177.57 175.69 1bu9 s LYS 124 N -2.90 3.48 0.00 4.17 2.47 0.11 -3.71 119.74 123.36 1bu9 s LYS 124 Ca -0.01 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.01 1bu9 s LYS 124 Cb 0.08 -2.98 0.00 0.00 -1.46 0.00 0.00 37.83 33.47 1bu9 s LYS 124 CO 0.80 0.56 0.00 0.72 0.16 0.00 0.00 175.35 177.59 1bu9 n HIS 125 N 0.10 0.00 0.00 4.03 8.25 -1.26 -4.18 115.22 122.16 1bu9 n HIS 125 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1bu9 n HIS 125 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1bu9 n HIS 125 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bu9 n THR 126 N 0.00 0.00 -2.78 1.59 -2.24 -1.26 -5.02 114.28 104.57 1bu9 n THR 126 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1bu9 n THR 126 Cb 0.00 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1bu9 n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu9 n ALA 127 N -2.32 -2.36 0.00 6.98 0.00 0.26 -4.96 120.51 118.11 1bu9 n ALA 127 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1bu9 n ALA 127 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.57 0.24 -2.06 0.00 7.64 -1.26 -4.76 113.62 111.84 1bu9 n SER 128 Ca 0.00 -0.15 -0.22 0.00 1.01 0.00 0.00 58.87 59.52 1bu9 n SER 128 Cb 0.49 0.34 0.17 0.00 -1.01 0.00 0.00 64.21 64.21 1bu9 n SER 128 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bu9 n ASN 129 N -0.37 4.05 -3.28 6.43 2.04 -1.26 -4.78 115.26 118.08 1bu9 n ASN 129 Ca 0.00 -3.67 -0.25 0.00 -0.44 0.00 0.00 54.58 50.22 1bu9 n ASN 129 Cb 0.00 -0.81 -0.04 0.00 -2.53 0.00 0.00 39.78 36.40 1bu9 n ASN 129 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 1bu9 n VAL 130 N -1.11 1.41 0.00 3.53 0.24 -1.26 -1.01 118.33 120.13 1bu9 n VAL 130 Ca 0.56 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1bu9 n VAL 130 Cb 1.43 -2.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 4.16 0.64 3.45 7.63 0.00 -1.19 -4.85 105.19 115.03 1bu9 n GLY 131 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.21 -2.62 1.61 -0.00 -0.18 -4.73 115.22 109.52 1bu9 n HIS 132 Ca 0.00 -0.01 -0.42 0.00 -0.00 0.00 0.00 57.72 57.29 1bu9 n HIS 132 Cb 0.00 -0.90 -0.03 0.00 -0.00 0.00 0.00 29.99 29.06 1bu9 n HIS 132 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1bu9 s ARG 133 N 7.13 4.40 0.00 1.57 0.52 -1.26 -2.67 118.95 128.64 1bu9 s ARG 133 Ca 1.09 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.78 1bu9 s ARG 133 Cb -0.62 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.31 1bu9 s ARG 133 CO 0.42 -0.35 0.00 0.27 0.02 0.00 0.00 175.30 175.65 1bu9 n ASN 134 N 5.05 0.00 -0.08 0.23 6.94 -1.20 -4.51 115.26 121.69 1bu9 n ASN 134 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.54 1bu9 n ASN 134 Cb 0.48 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.85 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 -0.22 0.48 0.00 -2.53 3.86 -1.76 -2.79 115.15 112.19 1bu9 h HIS 135 Ca 0.00 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 58.98 1bu9 h HIS 135 Cb 0.00 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1bu9 h HIS 135 CO 0.00 0.64 -0.65 -0.22 0.86 0.00 0.00 177.93 178.56 1bu9 h LYS 136 N 0.17 0.00 0.00 2.45 3.64 -1.92 -3.47 116.57 117.45 1bu9 h LYS 136 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1bu9 h LYS 136 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1bu9 h LYS 136 CO 0.02 0.65 0.00 0.41 -2.27 0.00 0.00 179.45 178.26 1bu9 n GLY 137 N 0.90 0.98 3.57 5.01 0.00 -1.05 -5.00 105.19 109.59 1bu9 n GLY 137 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1bu9 n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bu9 s ASP 138 N -1.07 4.44 1.12 1.61 1.01 -1.26 -3.82 116.67 118.70 1bu9 s ASP 138 Ca 0.00 -0.72 -0.14 0.00 0.71 0.00 0.00 52.55 52.40 1bu9 s ASP 138 Cb 0.00 -2.57 0.22 0.00 1.01 0.00 0.00 42.92 41.58 1bu9 s ASP 138 CO 0.00 -3.52 0.50 0.35 0.21 0.00 0.00 175.17 172.72 1bu9 n THR 139 N 8.35 0.00 0.00 -1.27 -2.24 -1.25 -3.21 114.28 114.66 1bu9 n THR 139 Ca 0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1bu9 n THR 139 Cb 0.46 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 -4.49 0.93 -0.09 6.98 0.00 -1.09 -1.79 120.51 120.97 1bu9 n ALA 140 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 1bu9 n ALA 140 Cb 0.35 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.37 0.00 -0.05 0.00 9.92 -0.74 -2.06 116.55 120.25 1bu9 n ASP 142 Ca -0.42 -0.05 -0.04 0.00 -0.53 0.00 0.00 54.79 53.75 1bu9 n ASP 142 Cb 1.00 -0.26 -0.01 0.00 -0.64 0.00 0.00 41.12 41.21 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 -1.26 1.24 0.09 0.64 4.77 -0.82 -3.11 117.00 118.55 1bu9 n LEU 143 Ca 0.10 0.45 0.20 0.00 -0.03 0.00 0.00 56.01 56.73 1bu9 n LEU 143 Cb 0.15 -0.73 0.75 0.00 -2.33 0.00 0.00 43.42 41.26 1bu9 n LEU 143 CO 0.14 -0.46 1.18 0.00 -1.33 0.00 0.00 177.39 176.93 1bu9 h ALA 144 N -1.32 2.13 0.58 -1.18 0.00 -1.57 -1.55 119.26 116.34 1bu9 h ALA 144 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bu9 h ALA 144 Cb 0.41 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1bu9 h ALA 144 CO 0.00 -0.59 -0.28 -0.09 0.00 0.00 0.00 179.25 178.29 1bu9 h ARG 145 N 0.00 -0.75 -0.97 0.00 2.43 -1.57 0.11 114.38 113.63 1bu9 h ARG 145 Ca 0.19 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.60 1bu9 h ARG 145 Cb 0.95 0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 30.59 1bu9 h ARG 145 CO -0.00 -0.50 0.61 -0.07 -1.51 0.00 0.00 179.97 178.50 1bu9 h LEU 146 N -1.16 0.64 0.00 3.80 4.07 -1.30 1.00 115.31 122.36 1bu9 h LEU 146 Ca -0.08 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1bu9 h LEU 146 Cb 0.60 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1bu9 h LEU 146 CO 0.13 0.24 0.00 -1.22 -1.08 0.00 0.00 178.44 176.51 1bu9 n TYR 147 N -4.64 0.00 0.00 1.13 4.01 -0.66 -4.82 117.16 112.18 1bu9 n TYR 147 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 1bu9 n TYR 147 Cb 0.62 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.16 2.64 3.43 2.72 0.00 0.35 -4.91 105.19 109.58 1bu9 n GLY 148 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 0.53 0.03 1.61 3.00 0.34 -4.66 116.66 115.50 1bu9 n ARG 149 Ca 0.00 -1.48 -0.12 0.00 -0.01 0.00 0.00 57.85 56.24 1bu9 n ARG 149 Cb 0.00 -3.00 -0.08 0.00 0.00 0.00 0.00 32.46 29.38 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 9.81 -0.02 -1.35 0.55 7.08 -1.89 0.19 115.58 129.95 1bu9 h ASN 150 Ca 0.24 -0.16 0.39 0.00 -3.08 0.00 0.00 56.30 53.70 1bu9 h ASN 150 Cb 0.77 0.01 -0.07 0.00 -2.08 0.00 0.00 38.32 36.95 1bu9 h ASN 150 CO 1.75 0.14 0.95 -0.33 -2.08 0.00 0.00 177.43 177.85 1bu9 h GLU 151 N -0.19 0.07 0.09 4.14 3.07 -1.95 2.29 114.58 122.10 1bu9 h GLU 151 Ca -0.00 -0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.57 1bu9 h GLU 151 Cb 0.18 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1bu9 h GLU 151 CO 0.00 0.04 -1.38 0.28 -1.40 0.00 0.00 179.01 176.56 1bu9 h VAL 152 N 0.07 1.32 0.16 3.13 2.07 -1.62 -2.77 116.25 118.61 1bu9 h VAL 152 Ca 0.68 -2.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 1bu9 h VAL 152 Cb 2.51 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 35.09 1bu9 h VAL 152 CO -0.10 0.84 -0.08 0.58 0.02 0.00 0.00 177.57 178.83 1bu9 h VAL 153 N 0.05 0.00 -1.07 2.57 2.07 0.66 -3.04 116.25 117.50 1bu9 h VAL 153 Ca -0.18 -0.08 0.28 0.00 0.82 0.00 0.00 66.70 67.55 1bu9 h VAL 153 Cb 1.96 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.64 1bu9 h VAL 153 CO 0.16 0.00 0.70 0.28 0.02 0.00 0.00 177.57 178.73 1bu9 h SER 154 N -0.29 0.38 -0.55 0.57 0.02 -0.18 0.23 113.55 113.73 1bu9 h SER 154 Ca -0.02 0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1bu9 h SER 154 Cb 0.16 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.61 1bu9 h SER 154 CO 0.04 0.06 -0.21 0.25 -1.14 0.00 0.00 176.83 175.82 1bu9 h LEU 155 N 0.33 -0.75 0.00 5.07 7.12 -1.38 0.80 115.31 126.49 1bu9 h LEU 155 Ca 0.60 0.19 -0.03 0.00 0.13 0.00 0.00 57.88 58.77 1bu9 h LEU 155 Cb 1.65 0.43 -0.00 0.00 -0.53 0.00 0.00 40.66 42.20 1bu9 h LEU 155 CO -0.27 -0.24 -0.36 0.24 -0.13 0.00 0.00 178.44 177.67 1bu9 h MET 156 N -0.08 0.00 -1.02 1.25 2.86 -0.59 -2.08 114.93 115.26 1bu9 h MET 156 Ca 0.25 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 58.21 1bu9 h MET 156 Cb 0.48 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.00 1bu9 h MET 156 CO -0.61 0.22 0.59 1.96 1.06 0.00 0.00 176.91 180.14 1bu9 h GLN 157 N -1.00 0.34 0.13 1.72 4.20 -0.66 0.62 115.11 120.47 1bu9 h GLN 157 Ca -0.04 -0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.37 1bu9 h GLN 157 Cb 0.47 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.18 1bu9 h GLN 157 CO -0.03 0.22 -1.25 0.00 -0.67 0.00 0.00 178.83 177.11 1bu9 h ALA 158 N 1.81 0.08 -0.23 3.87 0.00 0.49 -3.28 119.26 122.01 1bu9 h ALA 158 Ca 0.72 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1bu9 h ALA 158 Cb 1.66 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 1bu9 h ALA 158 CO -0.57 0.91 0.20 0.09 0.00 0.00 0.00 179.25 179.88 1bu9 n ASN 159 N -3.59 5.82 -4.27 0.00 5.03 0.18 -4.78 115.26 113.65 1bu9 n ASN 159 Ca -0.10 -2.72 -0.35 0.00 0.87 0.00 0.00 54.58 52.29 1bu9 n ASN 159 Cb 1.02 -1.08 -0.05 0.00 -1.02 0.00 0.00 39.78 38.64 1bu9 n ASN 159 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bu9 n GLY 160 N 0.92 -0.33 0.00 7.41 0.00 -0.94 -4.76 105.19 107.48 1bu9 n GLY 160 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.35 1.71 -1.00 4.61 0.00 0.83 -4.84 120.51 117.47 1bu9 n ALA 161 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1bu9 n ALA 161 Cb 0.55 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 2.28 -3.29 0.21 0.00 0.00 -0.92 -3.15 105.19 100.33 1bu9 n GLY 162 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.88 1bu9 n GLY 162 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bu9 h GLY 163 N -0.02 0.35 -2.10 -0.02 0.00 -1.93 -3.38 103.07 95.97 1bu9 h GLY 163 Ca 0.00 0.18 0.29 0.00 0.00 0.00 0.00 47.33 47.81 1bu9 h GLY 163 CO 0.00 -0.20 0.79 0.00 0.00 0.00 0.00 176.54 177.13 1bu9 s ALA 164 N -6.22 -2.18 1.24 3.60 0.00 -1.26 -4.83 121.76 112.12 1bu9 s ALA 164 Ca -0.14 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.80 1bu9 s ALA 164 Cb 0.17 0.69 0.27 0.00 0.00 0.00 0.00 23.12 24.25 1bu9 s ALA 164 CO 0.72 -1.10 0.91 0.25 0.00 0.00 0.00 175.76 176.54 1bu9 n THR 165 N -0.72 0.00 -1.27 0.00 -2.24 -1.26 -4.85 114.28 103.94 1bu9 n THR 165 Ca -0.02 -0.35 0.15 0.00 -2.27 0.00 0.00 64.05 61.56 1bu9 n THR 165 Cb 0.60 -1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 67.62 1bu9 n THR 165 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bu9 n ASN 166 N -4.72 -7.10 -4.73 3.42 5.03 -1.26 -4.66 115.26 101.24 1bu9 n ASN 166 Ca 0.13 0.81 -0.41 0.00 0.87 0.00 0.00 54.58 55.98 1bu9 n ASN 166 Cb 0.51 -4.09 -0.04 0.00 -1.02 0.00 0.00 39.78 35.14 1bu9 n ASN 166 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1bu9 s LEU 167 N -6.40 4.47 0.00 3.41 0.20 -1.26 -5.09 118.68 114.01 1bu9 s LEU 167 Ca 0.00 1.84 0.00 0.00 0.69 0.00 0.00 54.13 56.66 1bu9 s LEU 167 Cb 0.00 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.17 1bu9 s LEU 167 CO 0.00 -0.15 0.42 0.00 -0.29 0.00 0.00 176.35 176.33