#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 -2.70 -3.45 -5.12 0.00 -1.26 -4.92 120.51 103.06 1bu9 n ALA 2 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 1bu9 n ALA 2 Cb 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.25 1bu9 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bu9 n GLU 3 N -2.10 1.29 0.00 0.00 1.02 -1.26 -5.09 120.64 114.49 1bu9 n GLU 3 Ca -0.24 -3.85 0.00 0.00 -0.02 0.00 0.00 57.16 53.05 1bu9 n GLU 3 Cb 0.67 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.72 1.20 0.00 3.49 -0.04 -1.26 -4.40 135.00 135.70 1bu9 n PRO 4 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1bu9 n PRO 4 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1bu9 n PRO 4 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1bu9 n TRP 5 N -0.04 0.00 -0.42 0.54 -0.00 -1.26 -3.39 117.44 112.87 1bu9 n TRP 5 Ca 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 57.50 57.83 1bu9 n TRP 5 Cb 0.00 0.05 0.52 0.00 -0.00 0.00 0.00 31.31 31.88 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 0.00 -0.63 0.25 5.87 0.00 -1.26 0.29 105.19 109.70 1bu9 n GLY 6 Ca 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 1bu9 n GLY 6 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bu9 h ASN 7 N 0.00 0.84 0.00 1.61 2.35 -1.77 -3.17 115.58 115.43 1bu9 h ASN 7 Ca 0.62 -0.34 -0.22 0.00 -0.55 0.00 0.00 56.30 55.81 1bu9 h ASN 7 Cb 2.32 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 40.43 1bu9 h ASN 7 CO -0.12 0.98 -1.57 1.21 -1.65 0.00 0.00 177.43 176.28 1bu9 n GLU 8 N -4.31 0.55 0.00 0.81 0.00 0.83 -3.71 120.64 114.81 1bu9 n GLU 8 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1bu9 n GLU 8 Cb 0.35 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.24 1bu9 n GLU 8 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1bu9 n LEU 9 N -4.40 0.00 0.32 4.31 -0.00 0.66 0.16 117.00 118.06 1bu9 n LEU 9 Ca -0.32 0.80 0.15 0.00 -0.00 0.00 0.00 56.01 56.63 1bu9 n LEU 9 Cb 0.65 -0.30 0.78 0.00 -0.00 0.00 0.00 43.42 44.55 1bu9 n LEU 9 CO 0.12 -0.30 1.10 0.00 -0.00 0.00 0.00 177.39 178.32 1bu9 h ALA 10 N -1.51 1.33 -1.92 1.96 0.00 -1.74 0.30 119.26 117.69 1bu9 h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bu9 h ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bu9 h ALA 10 CO 0.00 -0.33 0.00 0.43 0.00 0.00 0.00 179.25 179.35 1bu9 n SER 11 N -2.83 0.00 -0.25 0.00 7.64 0.42 -2.06 113.62 116.54 1bu9 n SER 11 Ca -0.02 0.21 0.01 0.00 1.01 0.00 0.00 58.87 60.08 1bu9 n SER 11 Cb 0.38 -0.18 0.14 0.00 -1.01 0.00 0.00 64.21 63.54 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 1.00 -0.43 -0.43 0.00 0.17 1.61 119.26 119.19 1bu9 h ALA 12 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1bu9 h ALA 12 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1bu9 h ALA 12 CO 0.00 -0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.51 1bu9 h ALA 13 N 1.43 1.72 -0.50 0.00 0.00 -0.52 0.14 119.26 121.53 1bu9 h ALA 13 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1bu9 h ALA 13 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bu9 h ALA 13 CO -0.26 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1bu9 n ALA 14 N -2.48 2.79 0.00 0.00 0.00 0.34 0.27 120.51 121.43 1bu9 n ALA 14 Ca 0.04 -1.61 0.04 0.00 0.00 0.00 0.00 53.44 51.91 1bu9 n ALA 14 Cb 0.08 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 0.67 0.30 0.00 0.00 1.74 0.52 -4.62 116.66 115.27 1bu9 n ARG 15 Ca 0.21 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1bu9 n ARG 15 Cb 0.75 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 1bu9 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bu9 n GLY 16 N 2.04 0.79 3.56 -0.13 0.00 0.01 -5.01 105.19 106.45 1bu9 n GLY 16 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1bu9 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bu9 s ASP 17 N -1.99 5.03 0.02 1.61 1.11 0.29 -4.80 116.67 117.95 1bu9 s ASP 17 Ca 0.00 -0.75 -0.27 0.00 0.18 0.00 0.00 52.55 51.71 1bu9 s ASP 17 Cb 0.00 -2.56 -0.17 0.00 1.07 0.00 0.00 42.92 41.26 1bu9 s ASP 17 CO 0.00 -2.88 1.31 0.25 1.18 0.00 0.00 175.17 175.03 1bu9 h LEU 18 N 18.20 -0.49 -0.17 1.23 5.85 -1.96 -2.89 115.31 135.09 1bu9 h LEU 18 Ca 0.10 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1bu9 h LEU 18 Cb 1.00 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1bu9 h LEU 18 CO 1.20 -0.17 0.10 -0.08 -0.34 0.00 0.00 178.44 179.15 1bu9 h GLU 19 N -0.83 0.19 -0.50 1.25 4.57 -1.98 -2.01 114.58 115.27 1bu9 h GLU 19 Ca -0.06 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1bu9 h GLU 19 Cb 0.55 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.01 1bu9 h GLU 19 CO 0.10 0.13 -0.56 0.37 -1.18 0.00 0.00 179.01 177.87 1bu9 h GLN 20 N 0.20 -0.32 -0.61 1.92 5.75 -1.95 1.49 115.11 121.59 1bu9 h GLN 20 Ca 0.06 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.71 1bu9 h GLN 20 Cb -0.01 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.52 1bu9 h GLN 20 CO -0.03 -0.21 0.07 1.25 -2.65 0.00 0.00 178.83 177.26 1bu9 h LEU 21 N -0.33 -0.13 0.35 -2.39 6.46 -1.33 1.47 115.31 119.41 1bu9 h LEU 21 Ca 0.09 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1bu9 h LEU 21 Cb 0.56 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.70 1bu9 h LEU 21 CO -0.64 -0.05 -0.19 0.74 -0.62 0.00 0.00 178.44 177.67 1bu9 h THR 22 N 0.19 0.61 -0.82 1.05 2.02 0.37 0.42 112.91 116.74 1bu9 h THR 22 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1bu9 h THR 22 Cb 0.51 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1bu9 h THR 22 CO -0.46 0.00 0.52 0.28 0.37 0.00 0.00 175.52 176.22 1bu9 h SER 23 N -0.50 0.96 -0.03 4.18 0.02 0.31 -1.85 113.55 116.63 1bu9 h SER 23 Ca -0.04 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1bu9 h SER 23 Cb 0.40 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1bu9 h SER 23 CO 0.06 0.72 -0.18 0.25 -1.14 0.00 0.00 176.83 176.53 1bu9 h LEU 24 N 1.11 0.39 -1.19 5.07 5.85 0.24 -2.31 115.31 124.46 1bu9 h LEU 24 Ca 0.30 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1bu9 h LEU 24 Cb -0.08 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1bu9 h LEU 24 CO -0.06 0.59 0.33 0.25 -0.34 0.00 0.00 178.44 179.21 1bu9 h LEU 25 N 0.36 0.80 -2.62 2.25 5.85 0.66 0.20 115.31 122.80 1bu9 h LEU 25 Ca 0.06 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1bu9 h LEU 25 Cb 0.54 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1bu9 h LEU 25 CO 0.04 0.66 0.10 1.56 -0.34 0.00 0.00 178.44 180.45 1bu9 h GLN 26 N 0.89 0.00 0.00 1.25 1.08 -1.05 -3.22 115.11 114.06 1bu9 h GLN 26 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1bu9 h GLN 26 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1bu9 h GLN 26 CO -0.03 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.94 1bu9 n ASN 27 N -3.22 0.00 0.00 1.46 3.02 0.66 -5.10 115.26 112.08 1bu9 n ASN 27 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1bu9 n ASN 27 Cb 0.17 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1bu9 n ASN 27 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bu9 n ASN 28 N -0.91 0.00 -3.16 6.41 4.13 -1.00 -5.14 115.26 115.59 1bu9 n ASN 28 Ca 0.00 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.31 1bu9 n ASN 28 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 1bu9 n ASN 28 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1bu9 s VAL 29 N -0.71 -0.37 -0.80 2.41 -7.23 -1.26 -4.90 120.40 107.54 1bu9 s VAL 29 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 1bu9 s VAL 29 Cb 0.00 -1.00 -0.24 0.00 0.56 0.00 0.00 36.38 35.70 1bu9 s VAL 29 CO 0.00 0.00 1.99 -3.20 -0.31 0.00 0.00 175.10 173.58 1bu9 n ASN 30 N 5.44 -0.92 0.06 4.85 2.85 -1.26 -4.61 115.26 121.68 1bu9 n ASN 30 Ca -0.07 -0.94 0.21 0.00 -0.11 0.00 0.00 54.58 53.68 1bu9 n ASN 30 Cb 0.54 -0.78 0.69 0.00 1.24 0.00 0.00 39.78 41.46 1bu9 n ASN 30 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1bu9 h VAL 31 N 7.10 0.26 -0.05 3.44 -1.51 -1.91 5.23 116.25 128.81 1bu9 h VAL 31 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 1bu9 h VAL 31 Cb 1.08 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1bu9 h VAL 31 CO 1.39 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 178.32 1bu9 n ASN 32 N -3.53 0.52 -3.06 4.19 5.03 -1.26 -4.38 115.26 112.77 1bu9 n ASN 32 Ca 0.09 -1.53 0.00 0.00 0.87 0.00 0.00 54.58 54.02 1bu9 n ASN 32 Cb 0.77 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.49 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 -0.43 0.00 -3.15 5.41 0.00 1.71 -4.92 120.51 119.12 1bu9 n ALA 33 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.63 1bu9 n ALA 33 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.28 0.30 0.00 0.00 -0.21 -1.26 -4.39 119.66 113.82 1bu9 s GLN 34 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.91 1bu9 s GLN 34 Cb 0.00 0.30 0.00 0.00 1.00 0.00 0.00 33.01 34.31 1bu9 s GLN 34 CO 0.00 -0.32 0.00 -1.71 -2.12 0.00 0.00 175.29 171.14 1bu9 n ASN 35 N 5.46 -0.07 0.10 5.90 2.85 -1.17 -4.79 115.26 123.54 1bu9 n ASN 35 Ca -0.05 -0.39 0.11 0.00 -0.11 0.00 0.00 54.58 54.14 1bu9 n ASN 35 Cb 0.53 0.00 0.45 0.00 1.24 0.00 0.00 39.78 42.00 1bu9 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bu9 n GLY 36 N 4.58 -1.25 0.20 8.20 0.00 -1.26 -1.84 105.19 113.82 1bu9 n GLY 36 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1bu9 n GLY 36 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1bu9 h PHE 37 N 0.00 0.00 0.00 1.61 3.04 -2.01 -3.47 116.94 116.11 1bu9 h PHE 37 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1bu9 h PHE 37 Cb 0.37 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1bu9 h PHE 37 CO 0.00 0.13 0.00 0.41 -2.02 0.00 0.00 178.31 176.83 1bu9 n GLY 38 N 1.14 0.97 3.77 2.40 0.00 -0.77 -3.18 105.19 109.52 1bu9 n GLY 38 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.66 2.73 0.39 1.61 1.04 -1.26 -4.55 118.95 118.25 1bu9 s ARG 39 Ca 0.00 -1.12 0.08 0.00 -1.04 0.00 0.00 55.73 53.64 1bu9 s ARG 39 Cb 0.00 -2.46 -0.02 0.00 -2.04 0.00 0.00 34.95 30.43 1bu9 s ARG 39 CO 0.00 0.41 0.39 0.95 -0.04 0.00 0.00 175.30 177.01 1bu9 s THR 40 N -2.10 3.04 0.58 4.99 -4.23 -1.26 -3.07 115.64 113.59 1bu9 s THR 40 Ca 0.32 -1.27 0.29 0.00 -1.18 0.00 0.00 61.69 59.85 1bu9 s THR 40 Cb -0.08 -3.08 0.39 0.00 1.34 0.00 0.00 72.50 71.07 1bu9 s THR 40 CO 0.23 -0.06 1.91 0.00 -0.54 0.00 0.00 174.62 176.17 1bu9 h ALA 41 N 1.01 2.21 0.00 3.99 0.00 -1.86 2.29 119.26 126.91 1bu9 h ALA 41 Ca -0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1bu9 h ALA 41 Cb 1.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1bu9 h ALA 41 CO 0.55 -0.71 -0.04 1.25 0.00 0.00 0.00 179.25 180.30 1bu9 h LEU 42 N 0.00 0.00 0.04 0.00 7.12 -1.92 1.27 115.31 121.82 1bu9 h LEU 42 Ca 0.22 0.00 -0.38 0.00 0.13 0.00 0.00 57.88 57.85 1bu9 h LEU 42 Cb 1.16 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.24 1bu9 h LEU 42 CO -0.00 0.04 -2.28 0.00 -0.13 0.00 0.00 178.44 176.07 1bu9 n GLN 43 N -3.16 0.67 0.16 1.25 6.02 0.74 -4.33 117.38 118.74 1bu9 n GLN 43 Ca 0.00 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 1bu9 n GLN 43 Cb 0.31 -1.59 0.15 0.00 1.02 0.00 0.00 30.24 30.13 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 -0.14 0.00 -0.28 5.09 -1.51 -0.55 -3.46 116.25 115.40 1bu9 h VAL 44 Ca -0.53 -0.90 -0.35 0.00 -1.23 0.00 0.00 66.70 63.69 1bu9 h VAL 44 Cb 1.88 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 32.77 1bu9 h VAL 44 CO -0.08 0.00 0.37 1.15 -1.23 0.00 0.00 177.57 177.78 1bu9 n MET 45 N -2.81 0.00 -1.51 5.19 0.00 0.44 -4.04 117.12 114.39 1bu9 n MET 45 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.42 1bu9 n MET 45 Cb 0.52 -0.62 -0.17 0.00 0.00 0.00 0.00 33.22 32.95 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 2.11 0.12 0.27 3.17 4.76 0.78 -4.61 118.16 124.74 1bu9 n LYS 46 Ca 0.16 -0.06 0.15 0.00 -2.87 0.00 0.00 58.31 55.69 1bu9 n LYS 46 Cb -0.02 -1.60 0.70 0.00 -1.84 0.00 0.00 35.03 32.27 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 12.90 0.00 0.00 -0.35 -0.00 -1.88 -0.35 115.31 125.63 1bu9 h LEU 47 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1bu9 h LEU 47 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1bu9 h LEU 47 CO 1.44 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 180.49 1bu9 n GLY 48 N -1.32 -2.99 3.74 0.83 0.00 -1.26 -3.65 105.19 100.53 1bu9 n GLY 48 Ca 0.01 0.45 -0.39 0.00 0.00 0.00 0.00 46.02 46.09 1bu9 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bu9 s ASN 49 N -2.76 6.99 0.09 1.61 2.20 -0.14 -4.89 114.94 118.04 1bu9 s ASN 49 Ca 0.00 1.19 0.16 0.00 -0.94 0.00 0.00 52.86 53.27 1bu9 s ASN 49 Cb 0.00 -2.39 -0.11 0.00 -2.00 0.00 0.00 41.25 36.74 1bu9 s ASN 49 CO 0.00 -0.02 0.90 1.55 -2.94 0.00 0.00 177.10 176.60 1bu9 h PRO 50 N 6.23 0.00 0.00 3.55 0.13 -1.73 -3.21 132.00 136.96 1bu9 h PRO 50 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1bu9 h PRO 50 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bu9 h PRO 50 CO 0.73 0.32 -0.06 1.05 -0.23 0.00 0.00 178.00 179.80 1bu9 h GLU 51 N 0.00 0.00 -0.81 0.86 4.11 -1.91 -2.68 114.58 114.15 1bu9 h GLU 51 Ca -0.14 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.36 1bu9 h GLU 51 Cb 1.56 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.71 1bu9 h GLU 51 CO 0.05 0.06 -0.50 0.82 0.07 0.00 0.00 179.01 179.51 1bu9 h ILE 52 N 0.00 0.00 -0.11 -1.06 1.08 -1.85 0.64 117.51 116.21 1bu9 h ILE 52 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1bu9 h ILE 52 Cb 0.25 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.99 1bu9 h ILE 52 CO 0.01 0.00 0.03 0.00 -0.69 0.00 0.00 178.15 177.50 1bu9 h ALA 53 N 0.24 0.15 -1.48 1.87 0.00 -1.72 -2.30 119.26 116.03 1bu9 h ALA 53 Ca 0.13 -0.14 0.47 0.00 0.00 0.00 0.00 54.91 55.38 1bu9 h ALA 53 Cb 0.37 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 1bu9 h ALA 53 CO -0.78 -0.22 0.99 -0.09 0.00 0.00 0.00 179.25 179.15 1bu9 h ARG 54 N -0.02 0.04 0.45 0.00 2.43 -0.27 2.81 114.38 119.83 1bu9 h ARG 54 Ca 0.04 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1bu9 h ARG 54 Cb 0.25 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1bu9 h ARG 54 CO 0.00 0.03 -0.22 -0.09 -1.51 0.00 0.00 179.97 178.18 1bu9 h ARG 55 N 0.05 -0.59 0.00 0.20 9.65 0.69 0.35 114.38 124.72 1bu9 h ARG 55 Ca 0.85 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.77 1bu9 h ARG 55 Cb 2.89 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 31.60 1bu9 h ARG 55 CO -0.32 -0.39 0.00 1.37 2.80 0.00 0.00 179.97 183.43 1bu9 h LEU 56 N -0.96 0.00 0.19 3.80 8.10 -1.00 -3.25 115.31 122.20 1bu9 h LEU 56 Ca -0.06 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.92 1bu9 h LEU 56 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1bu9 h LEU 56 CO 0.10 0.00 -0.09 0.25 -4.11 0.00 0.00 178.44 174.59 1bu9 h LEU 57 N 0.00 -0.22 -1.36 0.17 7.12 0.49 -2.66 115.31 118.86 1bu9 h LEU 57 Ca 0.00 -0.04 0.26 0.00 0.13 0.00 0.00 57.88 58.24 1bu9 h LEU 57 Cb 0.64 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.79 1bu9 h LEU 57 CO 0.00 0.27 1.01 -0.07 -0.13 0.00 0.00 178.44 179.52 1bu9 h LEU 58 N -1.06 0.00 0.10 2.25 3.38 -0.33 1.99 115.31 121.64 1bu9 h LEU 58 Ca -0.03 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 1bu9 h LEU 58 Cb 0.24 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.02 1bu9 h LEU 58 CO 0.04 0.00 -1.22 -0.09 0.09 0.00 0.00 178.44 177.26 1bu9 h ARG 59 N 0.00 0.62 0.00 1.13 1.12 -1.58 -3.46 114.38 112.21 1bu9 h ARG 59 Ca 0.43 -0.81 0.00 0.00 -1.11 0.00 0.00 59.98 58.49 1bu9 h ARG 59 Cb 2.46 0.26 0.00 0.00 -0.01 0.00 0.00 29.97 32.68 1bu9 h ARG 59 CO -0.00 1.37 0.00 0.41 -3.11 0.00 0.00 179.97 178.63 1bu9 n GLY 60 N 1.34 0.00 3.85 2.80 0.00 0.67 -5.14 105.19 108.70 1bu9 n GLY 60 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 3.10 -0.23 4.61 0.00 -0.82 -4.77 121.76 123.65 1bu9 s ALA 61 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.02 1bu9 s ALA 61 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1bu9 s ALA 61 CO 0.00 -0.17 0.09 -0.80 0.00 0.00 0.00 175.76 174.88 1bu9 s ASN 62 N -3.01 5.50 -0.03 0.00 0.01 -1.26 -4.83 114.94 111.32 1bu9 s ASN 62 Ca 0.58 -0.06 0.03 0.00 -0.71 0.00 0.00 52.86 52.70 1bu9 s ASN 62 Cb -0.10 -1.98 0.14 0.00 0.41 0.00 0.00 41.25 39.72 1bu9 s ASN 62 CO 0.30 0.04 0.85 -0.81 -1.51 0.00 0.00 177.10 175.97 1bu9 n PRO 63 N 4.43 1.60 -0.01 -0.60 -0.04 -1.26 -3.21 135.00 135.91 1bu9 n PRO 63 Ca -0.16 -0.56 0.01 0.00 -0.04 0.00 0.00 63.50 62.75 1bu9 n PRO 63 Cb 0.52 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.05 4.27 -2.42 3.54 -0.08 -1.26 -3.33 116.55 117.32 1bu9 n ASP 64 Ca 0.05 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.99 1bu9 n ASP 64 Cb 0.33 0.94 -0.07 0.00 2.34 0.00 0.00 41.12 44.66 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 -1.79 0.43 -4.79 -2.67 4.77 -1.20 -3.96 117.00 107.80 1bu9 n LEU 65 Ca -0.02 0.39 -0.31 0.00 -0.03 0.00 0.00 56.01 56.04 1bu9 n LEU 65 Cb 0.27 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1bu9 n LEU 65 CO 0.07 -0.44 0.70 -0.54 -1.33 0.00 0.00 177.39 175.85 1bu9 s LYS 66 N 3.43 2.35 0.00 3.23 -0.14 -1.26 -1.84 119.74 125.51 1bu9 s LYS 66 Ca 0.68 0.93 0.00 0.00 -1.36 0.00 0.00 55.97 56.22 1bu9 s LYS 66 Cb -0.85 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 1bu9 s LYS 66 CO 0.38 -1.51 0.00 -0.40 -0.76 0.00 0.00 175.35 173.06 1bu9 n ASP 67 N -3.40 0.48 -0.16 2.83 5.75 -0.79 -4.64 116.55 116.62 1bu9 n ASP 67 Ca 0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.80 1bu9 n ASP 67 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.18 -0.93 0.11 2.43 -1.79 0.97 114.38 115.00 1bu9 h ARG 68 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1bu9 h ARG 68 Cb 0.00 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1bu9 h ARG 68 CO 0.00 -0.12 0.06 0.25 -1.51 0.00 0.00 179.97 178.65 1bu9 n THR 69 N -5.42 0.99 -1.25 0.20 -2.24 -1.26 -4.77 114.28 100.53 1bu9 n THR 69 Ca 0.03 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 1bu9 n THR 69 Cb 0.34 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.13 0.85 3.59 3.38 0.00 0.34 -1.58 105.19 111.90 1bu9 n GLY 70 Ca 0.10 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.80 1.89 0.57 1.61 0.40 -1.26 -3.49 117.98 115.91 1bu9 s PHE 71 Ca 0.00 0.66 -0.20 0.00 -0.60 0.00 0.00 56.93 56.79 1bu9 s PHE 71 Cb 0.00 -4.16 -0.05 0.00 0.51 0.00 0.00 43.02 39.32 1bu9 s PHE 71 CO 0.00 -2.65 1.04 0.00 0.70 0.00 0.00 175.22 174.31 1bu9 n ALA 72 N 10.45 0.41 -0.34 5.36 0.00 -1.22 -1.89 120.51 133.28 1bu9 n ALA 72 Ca 0.21 0.05 0.35 0.00 0.00 0.00 0.00 53.44 54.05 1bu9 n ALA 72 Cb 0.48 -2.15 0.73 0.00 0.00 0.00 0.00 19.45 18.51 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 0.76 0.39 -1.00 0.00 3.04 -1.49 2.90 116.25 120.86 1bu9 h VAL 73 Ca -0.48 -0.02 0.15 0.00 -1.01 0.00 0.00 66.70 65.34 1bu9 h VAL 73 Cb 1.35 0.34 -0.09 0.00 -2.01 0.00 0.00 31.29 30.88 1bu9 h VAL 73 CO 0.53 0.01 0.61 0.40 -1.01 0.00 0.00 177.57 178.11 1bu9 h ILE 74 N 0.05 0.82 0.01 3.17 2.04 -1.85 0.28 117.51 122.03 1bu9 h ILE 74 Ca 0.59 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 66.15 1bu9 h ILE 74 Cb 2.26 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1bu9 h ILE 74 CO -0.05 0.16 -0.02 0.45 0.00 0.00 0.00 178.15 178.69 1bu9 h HIS 75 N 0.88 -0.07 -0.98 1.37 3.86 0.49 0.18 115.15 120.88 1bu9 h HIS 75 Ca 0.53 0.00 0.39 0.00 -1.16 0.00 0.00 60.37 60.13 1bu9 h HIS 75 Cb 0.67 0.03 -0.18 0.00 1.06 0.00 0.00 27.41 28.99 1bu9 h HIS 75 CO -0.01 -0.03 0.44 -0.25 0.86 0.00 0.00 177.93 178.94 1bu9 n ASP 76 N -2.50 0.26 0.23 2.45 9.92 -0.52 0.30 116.55 126.69 1bu9 n ASP 76 Ca -0.00 1.64 -0.09 0.00 -0.53 0.00 0.00 54.79 55.80 1bu9 n ASP 76 Cb 0.02 -0.76 -0.04 0.00 -0.64 0.00 0.00 41.12 39.69 1bu9 n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bu9 h ALA 77 N 1.97 -0.92 0.11 2.24 0.00 1.00 -3.34 119.26 120.31 1bu9 h ALA 77 Ca 0.79 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 55.41 1bu9 h ALA 77 Cb 2.04 0.23 0.01 0.00 0.00 0.00 0.00 17.79 20.07 1bu9 h ALA 77 CO -0.79 -0.88 -0.76 0.00 0.00 0.00 0.00 179.25 176.82 1bu9 h ALA 78 N -1.59 -0.04 -0.44 0.00 0.00 0.94 1.36 119.26 119.49 1bu9 h ALA 78 Ca -0.06 -0.72 0.08 0.00 0.00 0.00 0.00 54.91 54.20 1bu9 h ALA 78 Cb 0.46 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 1bu9 h ALA 78 CO 0.10 0.38 -0.15 -2.13 0.00 0.00 0.00 179.25 177.45 1bu9 n ARG 79 N -4.19 -0.08 -0.07 0.00 0.00 0.88 -0.91 116.66 112.29 1bu9 n ARG 79 Ca -0.15 0.69 -0.07 0.00 -0.00 0.00 0.00 57.85 58.31 1bu9 n ARG 79 Cb 0.77 -1.02 -0.04 0.00 0.00 0.00 0.00 32.46 32.17 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 0.71 0.04 0.00 5.13 0.00 -1.71 -3.40 119.26 120.04 1bu9 h ALA 80 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1bu9 h ALA 80 Cb 0.29 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1bu9 h ALA 80 CO -0.45 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1bu9 n GLY 81 N 1.64 -0.20 2.96 0.00 0.00 -0.09 -4.95 105.19 104.56 1bu9 n GLY 81 Ca -0.09 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 3.48 -0.01 1.61 0.08 0.47 -4.96 117.98 118.65 1bu9 s PHE 82 Ca 0.00 -3.19 -0.17 0.00 0.12 0.00 0.00 56.93 53.69 1bu9 s PHE 82 Cb 0.00 -2.86 -0.09 0.00 -0.57 0.00 0.00 43.02 39.49 1bu9 s PHE 82 CO 0.00 -0.66 0.83 1.25 -0.10 0.00 0.00 175.22 176.54 1bu9 h LEU 83 N 5.97 -0.52 -1.58 -0.37 5.85 -1.92 0.96 115.31 123.69 1bu9 h LEU 83 Ca 0.06 0.02 0.33 0.00 0.84 0.00 0.00 57.88 59.13 1bu9 h LEU 83 Cb 0.82 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1bu9 h LEU 83 CO 0.73 -0.21 1.05 0.44 -0.34 0.00 0.00 178.44 180.11 1bu9 h ASP 84 N -0.94 0.00 0.22 1.25 3.32 -1.94 4.04 116.42 122.36 1bu9 h ASP 84 Ca -0.06 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.70 1bu9 h ASP 84 Cb 0.47 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.04 1bu9 h ASP 84 CO 0.10 0.00 -1.21 0.74 -1.72 0.00 0.00 179.24 177.15 1bu9 h THR 85 N 0.00 1.32 0.00 0.35 2.02 -1.75 -1.77 112.91 113.08 1bu9 h THR 85 Ca 0.53 -2.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.16 1bu9 h THR 85 Cb 2.63 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 71.72 1bu9 h THR 85 CO -0.01 0.76 -0.09 0.25 0.37 0.00 0.00 175.52 176.80 1bu9 h LEU 86 N 0.25 0.00 -0.01 2.58 6.46 1.01 -2.19 115.31 123.41 1bu9 h LEU 86 Ca -0.17 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1bu9 h LEU 86 Cb 1.88 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 1bu9 h LEU 86 CO 0.23 0.09 -0.05 1.56 -0.62 0.00 0.00 178.44 179.65 1bu9 h GLN 87 N 0.00 0.06 -0.28 1.25 4.20 0.01 -0.62 115.11 119.72 1bu9 h GLN 87 Ca -0.00 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.72 1bu9 h GLN 87 Cb 0.20 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 1bu9 h GLN 87 CO 0.01 0.69 -0.39 1.15 -0.67 0.00 0.00 178.83 179.63 1bu9 h THR 88 N -0.56 0.17 0.00 -0.54 2.02 -0.72 0.56 112.91 113.84 1bu9 h THR 88 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1bu9 h THR 88 Cb 0.70 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1bu9 h THR 88 CO 0.01 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.08 1bu9 n LEU 89 N -5.42 0.00 -0.29 2.58 4.32 -0.95 0.44 117.00 117.68 1bu9 n LEU 89 Ca -0.02 0.96 -0.03 0.00 -0.02 0.00 0.00 56.01 56.90 1bu9 n LEU 89 Cb 0.35 -0.46 0.02 0.00 -1.62 0.00 0.00 43.42 41.70 1bu9 n LEU 89 CO 0.09 -0.46 0.60 0.25 -1.22 0.00 0.00 177.39 176.65 1bu9 h LEU 90 N 0.00 -1.33 -1.40 2.23 7.12 -0.93 2.07 115.31 123.07 1bu9 h LEU 90 Ca 0.00 0.27 0.17 0.00 0.13 0.00 0.00 57.88 58.45 1bu9 h LEU 90 Cb 0.00 0.68 -0.07 0.00 -0.53 0.00 0.00 40.66 40.74 1bu9 h LEU 90 CO 0.00 -0.30 0.57 -0.08 -0.13 0.00 0.00 178.44 178.50 1bu9 h GLU 91 N -0.08 0.53 -1.04 1.25 4.57 0.27 0.12 114.58 120.19 1bu9 h GLU 91 Ca 0.29 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 58.12 1bu9 h GLU 91 Cb 0.57 -0.12 -0.18 0.00 -0.16 0.00 0.00 28.75 28.86 1bu9 h GLU 91 CO -0.84 0.35 0.40 1.19 -1.18 0.00 0.00 179.01 178.94 1bu9 n PHE 92 N -4.54 1.84 -2.99 0.92 3.72 0.69 -4.88 117.46 112.22 1bu9 n PHE 92 Ca 0.18 -1.39 -0.09 0.00 -0.05 0.00 0.00 57.45 56.09 1bu9 n PHE 92 Cb 0.57 -0.71 0.04 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.42 -1.73 0.00 -1.08 6.02 0.41 -4.50 117.38 116.07 1bu9 n GLN 93 Ca 0.36 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 58.29 1bu9 n GLN 93 Cb 1.14 -5.29 0.00 0.00 1.02 0.00 0.00 30.24 27.11 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 -2.62 0.00 0.00 -1.58 0.00 -0.99 -4.35 120.51 110.96 1bu9 n ALA 94 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 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 0.00 0.00 0.16 0.00 9.92 -1.26 -4.51 116.55 120.86 1bu9 n ASP 95 Ca 0.00 0.00 0.18 0.00 -0.53 0.00 0.00 54.79 54.44 1bu9 n ASP 95 Cb 0.00 0.00 0.66 0.00 -0.64 0.00 0.00 41.12 41.14 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 0.00 0.16 -0.71 2.53 3.04 -1.98 2.22 116.25 121.51 1bu9 h VAL 96 Ca 0.00 0.00 -0.23 0.00 -1.01 0.00 0.00 66.70 65.46 1bu9 h VAL 96 Cb 0.00 0.51 -0.14 0.00 -2.01 0.00 0.00 31.29 29.65 1bu9 h VAL 96 CO 0.00 0.00 0.27 0.59 -1.01 0.00 0.00 177.57 177.42 1bu9 n ASN 97 N -3.25 4.55 -4.59 3.17 5.03 -1.26 -4.50 115.26 114.41 1bu9 n ASN 97 Ca 0.05 -3.29 -0.43 0.00 0.87 0.00 0.00 54.58 51.79 1bu9 n ASN 97 Cb 0.69 -0.74 -0.02 0.00 -1.02 0.00 0.00 39.78 38.69 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 -3.03 3.94 0.00 2.41 -1.16 0.75 -4.96 121.20 119.14 1bu9 s ILE 98 Ca 0.54 0.91 0.00 0.00 -0.51 0.00 0.00 60.65 61.59 1bu9 s ILE 98 Cb 0.44 -4.40 0.00 0.00 0.61 0.00 0.00 42.46 39.11 1bu9 s ILE 98 CO 0.12 -0.98 0.00 -0.62 -2.81 0.00 0.00 174.94 170.65 1bu9 n GLU 99 N 8.24 2.88 0.00 3.50 1.02 -1.26 -3.07 120.64 131.96 1bu9 n GLU 99 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 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 -1.41 1.62 5.75 0.33 -3.42 116.55 119.43 1bu9 n ASP 100 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 1bu9 n ASP 100 Cb 0.00 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.26 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 5.15 -0.61 -4.27 115.26 117.87 1bu9 n ASN 101 Ca 0.00 -2.64 0.00 0.00 -0.60 0.00 0.00 54.58 51.34 1bu9 n ASN 101 Cb 0.00 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1bu9 n GLU 102 N 0.04 0.00 0.00 1.20 1.02 -1.26 -4.97 120.64 116.67 1bu9 n GLU 102 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1bu9 n GLU 102 Cb 0.90 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 32.20 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 -0.65 0.02 3.74 0.62 0.00 -1.26 -4.01 105.19 103.65 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 7.41 0.52 1.61 -0.87 -1.26 -3.94 114.94 118.40 1bu9 s ASN 104 Ca 0.00 1.68 -0.01 0.00 -1.57 0.00 0.00 52.86 52.96 1bu9 s ASN 104 Cb 0.00 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.70 1bu9 s ASN 104 CO 0.00 0.01 0.76 -0.76 -2.57 0.00 0.00 177.10 174.54 1bu9 s LEU 105 N -0.25 3.41 0.60 0.60 1.43 -1.26 0.12 118.68 123.34 1bu9 s LEU 105 Ca 0.42 0.26 0.32 0.00 -1.03 0.00 0.00 54.13 54.10 1bu9 s LEU 105 Cb -0.23 -3.12 1.92 0.00 0.03 0.00 0.00 46.19 44.80 1bu9 s LEU 105 CO 0.27 -0.96 2.28 1.55 0.23 0.00 0.00 176.35 179.72 1bu9 h PRO 106 N 0.15 0.00 0.18 1.29 0.13 -1.81 0.96 132.00 132.90 1bu9 h PRO 106 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1bu9 h PRO 106 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1bu9 h PRO 106 CO 0.56 0.00 -0.09 1.25 -0.23 0.00 0.00 178.00 179.50 1bu9 h LEU 107 N 0.00 -0.21 -1.50 1.56 7.12 -1.87 0.42 115.31 120.83 1bu9 h LEU 107 Ca 0.00 -0.32 0.30 0.00 0.13 0.00 0.00 57.88 57.99 1bu9 h LEU 107 Cb 0.00 0.05 -0.09 0.00 -0.53 0.00 0.00 40.66 40.10 1bu9 h LEU 107 CO -0.00 0.29 0.73 0.45 -0.13 0.00 0.00 178.44 179.77 1bu9 h HIS 108 N -0.78 0.50 0.35 1.25 3.86 -1.14 0.91 115.15 120.10 1bu9 h HIS 108 Ca -0.02 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1bu9 h HIS 108 Cb 0.52 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1bu9 h HIS 108 CO 0.07 0.02 -0.17 -0.07 0.86 0.00 0.00 177.93 178.64 1bu9 h LEU 109 N 0.27 -0.40 -1.58 2.43 4.07 -0.55 0.93 115.31 120.48 1bu9 h LEU 109 Ca 0.61 0.01 0.34 0.00 0.08 0.00 0.00 57.88 58.93 1bu9 h LEU 109 Cb 1.79 0.10 -0.09 0.00 1.08 0.00 0.00 40.66 43.55 1bu9 h LEU 109 CO -0.25 -0.06 0.80 0.00 -1.08 0.00 0.00 178.44 177.85 1bu9 h ALA 110 N -1.34 2.68 0.01 1.53 0.00 0.13 2.57 119.26 124.84 1bu9 h ALA 110 Ca -0.05 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1bu9 h ALA 110 Cb 0.36 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bu9 h ALA 110 CO 0.08 -1.12 -0.94 0.00 0.00 0.00 0.00 179.25 177.26 1bu9 h ALA 111 N 1.53 0.38 -0.65 0.00 0.00 0.93 1.60 119.26 123.05 1bu9 h ALA 111 Ca 0.66 -0.72 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1bu9 h ALA 111 Cb 2.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 1bu9 h ALA 111 CO -0.23 0.84 0.44 -0.22 0.00 0.00 0.00 179.25 180.08 1bu9 h LYS 112 N 0.20 0.42 0.01 0.00 3.11 1.22 -2.91 116.57 118.62 1bu9 h LYS 112 Ca -0.07 -0.03 -0.36 0.00 -2.81 0.00 0.00 60.65 57.38 1bu9 h LYS 112 Cb 1.58 -0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 32.67 1bu9 h LYS 112 CO 0.16 0.28 -1.97 0.39 -2.81 0.00 0.00 179.45 175.50 1bu9 n GLU 113 N -4.47 0.60 0.00 1.90 -0.58 -0.13 -4.96 120.64 113.00 1bu9 n GLU 113 Ca 0.11 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 1bu9 n GLU 113 Cb 0.40 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1bu9 n GLU 113 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bu9 n GLY 114 N 1.47 1.99 3.49 0.62 0.00 0.51 -4.89 105.19 108.37 1bu9 n GLY 114 Ca -0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.02 0.51 0.00 1.61 8.25 0.11 -4.77 115.22 120.91 1bu9 n HIS 115 Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 1bu9 n HIS 115 Cb 0.00 -1.40 0.00 0.00 1.12 0.00 0.00 29.99 29.71 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 12.00 0.00 -0.51 2.41 7.94 -1.26 0.14 117.00 137.72 1bu9 n LEU 116 Ca 0.46 0.43 0.41 0.00 -1.11 0.00 0.00 56.01 56.20 1bu9 n LEU 116 Cb 0.43 0.00 0.68 0.00 0.53 0.00 0.00 43.42 45.06 1bu9 n LEU 116 CO 1.01 0.00 1.22 -1.14 -1.11 0.00 0.00 177.39 177.36 1bu9 n ARG 117 N -0.77 -0.02 0.07 1.96 0.63 -1.26 0.13 116.66 117.40 1bu9 n ARG 117 Ca 0.00 1.13 -0.03 0.00 -0.92 0.00 0.00 57.85 58.03 1bu9 n ARG 117 Cb 0.00 -2.32 -0.01 0.00 0.45 0.00 0.00 32.46 30.57 1bu9 n ARG 117 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1bu9 h VAL 118 N 0.00 0.00 -0.91 5.15 2.07 -1.32 -2.26 116.25 118.98 1bu9 h VAL 118 Ca 0.84 -0.14 0.19 0.00 0.82 0.00 0.00 66.70 68.41 1bu9 h VAL 118 Cb 2.93 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.62 1bu9 h VAL 118 CO -0.31 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.45 1bu9 h VAL 119 N -0.34 0.71 -0.02 2.57 2.07 0.39 1.20 116.25 122.84 1bu9 h VAL 119 Ca -0.02 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1bu9 h VAL 119 Cb 0.15 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1bu9 h VAL 119 CO 0.03 0.09 0.02 -0.08 0.02 0.00 0.00 177.57 177.66 1bu9 h GLU 120 N 0.50 0.00 0.27 1.57 4.81 0.10 -2.52 114.58 119.31 1bu9 h GLU 120 Ca 0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1bu9 h GLU 120 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1bu9 h GLU 120 CO -0.21 0.00 -0.13 0.35 -0.73 0.00 0.00 179.01 178.29 1bu9 h PHE 121 N 0.00 -0.33 -0.22 0.92 3.57 0.21 -2.83 116.94 118.26 1bu9 h PHE 121 Ca 0.01 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1bu9 h PHE 121 Cb 0.06 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 1bu9 h PHE 121 CO 0.00 -0.01 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.54 1bu9 h LEU 122 N -0.97 -1.47 -1.92 0.59 4.07 -1.38 0.42 115.31 114.66 1bu9 h LEU 122 Ca -0.04 0.20 0.27 0.00 0.08 0.00 0.00 57.88 58.39 1bu9 h LEU 122 Cb 0.47 0.60 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 1bu9 h LEU 122 CO 0.06 -0.42 0.68 1.62 -1.08 0.00 0.00 178.44 179.29 1bu9 h VAL 123 N -0.46 0.54 -1.96 1.22 3.04 -1.57 -3.25 116.25 113.80 1bu9 h VAL 123 Ca 0.08 -0.02 -0.45 0.00 -1.01 0.00 0.00 66.70 65.30 1bu9 h VAL 123 Cb 0.63 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 1bu9 h VAL 123 CO -0.47 0.01 -0.39 -0.54 -1.01 0.00 0.00 177.57 175.17 1bu9 s LYS 124 N -5.04 3.20 0.00 4.17 -0.14 0.15 -4.10 119.74 117.97 1bu9 s LYS 124 Ca -0.05 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 1bu9 s LYS 124 Cb 0.22 -2.81 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 1bu9 s LYS 124 CO 0.78 0.21 0.00 0.72 -0.76 0.00 0.00 175.35 176.30 1bu9 n HIS 125 N -1.52 0.00 -0.07 3.18 8.25 -1.26 -4.79 115.22 119.01 1bu9 n HIS 125 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1bu9 n HIS 125 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.59 1.59 -2.24 -1.23 -4.93 114.28 106.88 1bu9 n THR 126 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1bu9 n THR 126 Cb 0.00 -1.83 0.35 0.00 -2.10 0.00 0.00 70.33 66.75 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 -3.00 3.59 -2.02 6.98 0.00 -1.26 -4.97 120.51 119.84 1bu9 n ALA 127 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.82 1bu9 n ALA 127 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.63 -5.25 -3.02 0.00 7.64 -1.25 -4.54 113.62 107.83 1bu9 n SER 128 Ca 0.24 1.36 -0.24 0.00 1.01 0.00 0.00 58.87 61.24 1bu9 n SER 128 Cb 1.03 -3.59 -0.04 0.00 -1.01 0.00 0.00 64.21 60.60 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 1.84 5.69 0.00 6.43 6.94 -1.26 -4.77 115.26 130.13 1bu9 n ASN 129 Ca 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 54.58 52.20 1bu9 n ASN 129 Cb 0.00 -1.20 0.00 0.00 -2.36 0.00 0.00 39.78 36.22 1bu9 n ASN 129 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1bu9 n VAL 130 N 3.76 0.00 0.94 3.53 0.24 -1.26 -2.64 118.33 122.90 1bu9 n VAL 130 Ca 0.51 0.48 -0.00 0.00 -2.04 0.00 0.00 64.34 63.29 1bu9 n VAL 130 Cb 0.25 -1.11 0.01 0.00 -1.47 0.00 0.00 33.84 31.52 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 0.00 1.71 3.58 7.63 0.00 -1.23 -4.41 105.19 112.47 1bu9 n GLY 131 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1bu9 n GLY 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bu9 s HIS 132 N -0.77 1.25 -0.08 1.61 5.04 -1.08 -4.87 115.29 116.39 1bu9 s HIS 132 Ca 0.02 2.13 -0.30 0.00 -1.54 0.00 0.00 55.06 55.37 1bu9 s HIS 132 Cb 0.01 -3.39 -0.02 0.00 0.04 0.00 0.00 32.58 29.22 1bu9 s HIS 132 CO 0.00 -0.88 1.01 1.03 -2.34 0.00 0.00 174.74 173.57 1bu9 s ARG 133 N 8.40 4.45 0.00 2.88 0.52 -1.26 -2.73 118.95 131.20 1bu9 s ARG 133 Ca 0.83 1.41 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 1bu9 s ARG 133 Cb -0.06 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1bu9 s ARG 133 CO 0.16 -0.27 0.00 0.27 0.02 0.00 0.00 175.30 175.48 1bu9 n ASN 134 N 4.80 0.00 0.02 0.23 6.94 -1.19 -4.50 115.26 121.55 1bu9 n ASN 134 Ca 0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.53 1bu9 n ASN 134 Cb 0.49 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.84 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 -0.44 0.05 0.00 -2.53 3.86 -1.75 -2.55 115.15 111.79 1bu9 h HIS 135 Ca 0.00 -0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1bu9 h HIS 135 Cb 0.00 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1bu9 h HIS 135 CO 0.00 0.09 -0.85 -0.22 0.86 0.00 0.00 177.93 177.81 1bu9 h LYS 136 N -0.00 0.07 0.00 2.45 3.64 -1.92 -3.47 116.57 117.34 1bu9 h LYS 136 Ca 0.01 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1bu9 h LYS 136 Cb 0.05 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1bu9 h LYS 136 CO -0.00 0.88 0.00 0.41 -2.27 0.00 0.00 179.45 178.46 1bu9 n GLY 137 N 0.87 1.21 3.56 5.01 0.00 -0.96 -5.01 105.19 109.87 1bu9 n GLY 137 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.90 4.21 1.09 1.61 1.01 -1.26 -3.71 116.67 118.72 1bu9 s ASP 138 Ca 0.00 -0.37 -0.13 0.00 0.71 0.00 0.00 52.55 52.76 1bu9 s ASP 138 Cb 0.00 -2.56 0.20 0.00 1.01 0.00 0.00 42.92 41.57 1bu9 s ASP 138 CO 0.00 -3.67 0.45 0.35 0.21 0.00 0.00 175.17 172.51 1bu9 n THR 139 N 8.54 0.00 0.27 -1.27 -2.24 -1.25 -3.20 114.28 115.13 1bu9 n THR 139 Ca 0.44 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.25 1bu9 n THR 139 Cb 0.45 -0.51 0.14 0.00 -2.10 0.00 0.00 70.33 68.31 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 -4.23 1.51 -0.10 6.98 0.00 -1.11 -1.89 120.51 121.68 1bu9 n ALA 140 Ca -0.10 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 1bu9 n ALA 140 Cb 0.31 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.30 0.00 -0.05 0.00 9.92 -0.79 -1.44 116.55 120.89 1bu9 n ASP 142 Ca -0.43 0.40 -0.04 0.00 -0.53 0.00 0.00 54.79 54.19 1bu9 n ASP 142 Cb 1.00 -0.45 -0.01 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.45 1.33 0.31 0.64 4.77 -0.92 -3.02 117.00 118.67 1bu9 n LEU 143 Ca 0.04 0.48 0.19 0.00 -0.03 0.00 0.00 56.01 56.69 1bu9 n LEU 143 Cb 0.13 -0.75 1.07 0.00 -2.33 0.00 0.00 43.42 41.54 1bu9 n LEU 143 CO 0.11 -0.46 1.16 0.00 -1.33 0.00 0.00 177.39 176.87 1bu9 h ALA 144 N -1.27 1.26 0.10 -1.18 0.00 -1.52 -2.60 119.26 114.05 1bu9 h ALA 144 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bu9 h ALA 144 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1bu9 h ALA 144 CO 0.00 -0.04 -0.05 -0.09 0.00 0.00 0.00 179.25 179.07 1bu9 h ARG 145 N 0.00 -0.13 -0.74 0.00 2.43 -1.36 0.44 114.38 115.03 1bu9 h ARG 145 Ca 0.01 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 1bu9 h ARG 145 Cb 0.07 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.56 1bu9 h ARG 145 CO -0.00 0.27 0.33 -0.07 -1.51 0.00 0.00 179.97 178.99 1bu9 h LEU 146 N -0.97 0.37 -1.81 3.80 3.38 -1.40 0.24 115.31 118.91 1bu9 h LEU 146 Ca -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1bu9 h LEU 146 Cb 0.45 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1bu9 h LEU 146 CO 0.02 0.18 -0.11 1.88 0.09 0.00 0.00 178.44 180.50 1bu9 h TYR 147 N 0.52 0.00 0.00 1.13 0.05 -1.58 -3.46 116.97 113.62 1bu9 h TYR 147 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.17 1bu9 h TYR 147 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1bu9 h TYR 147 CO -0.14 0.11 0.00 0.41 -1.05 0.00 0.00 178.16 177.49 1bu9 n GLY 148 N -0.46 1.52 3.53 3.88 0.00 0.83 -5.03 105.19 109.46 1bu9 n GLY 148 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.08 0.35 -0.02 1.61 3.00 0.15 -4.69 116.66 116.97 1bu9 n ARG 149 Ca 0.00 -0.95 -0.18 0.00 -0.01 0.00 0.00 57.85 56.71 1bu9 n ARG 149 Cb 0.00 -3.35 -0.13 0.00 0.00 0.00 0.00 32.46 28.98 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 12.07 0.21 -0.98 0.55 -1.07 -1.89 -1.87 115.58 122.60 1bu9 h ASN 150 Ca 0.00 -0.90 0.28 0.00 0.07 0.00 0.00 56.30 55.76 1bu9 h ASN 150 Cb 1.01 -0.07 -0.04 0.00 -2.07 0.00 0.00 38.32 37.16 1bu9 h ASN 150 CO 1.07 1.29 0.88 1.05 0.07 0.00 0.00 177.43 181.79 1bu9 h GLU 151 N -0.69 0.00 0.17 4.14 4.11 -1.94 2.57 114.58 122.94 1bu9 h GLU 151 Ca -0.14 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.96 1bu9 h GLU 151 Cb 1.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.63 1bu9 h GLU 151 CO 0.03 0.00 -1.58 0.28 0.07 0.00 0.00 179.01 177.81 1bu9 h VAL 152 N 0.00 1.13 0.16 -1.06 2.07 -1.86 -2.66 116.25 114.03 1bu9 h VAL 152 Ca 0.47 -2.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 1bu9 h VAL 152 Cb 2.21 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 34.82 1bu9 h VAL 152 CO -0.00 0.84 -0.08 0.58 0.02 0.00 0.00 177.57 178.92 1bu9 h VAL 153 N 0.10 0.00 -1.10 2.57 2.07 0.49 -2.94 116.25 117.43 1bu9 h VAL 153 Ca -0.27 -0.07 0.30 0.00 0.82 0.00 0.00 66.70 67.48 1bu9 h VAL 153 Cb 2.07 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1bu9 h VAL 153 CO 0.19 0.00 0.75 -1.28 0.02 0.00 0.00 177.57 177.25 1bu9 h SER 154 N -0.29 0.24 -0.53 0.57 0.87 0.34 0.79 113.55 115.53 1bu9 h SER 154 Ca -0.02 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.68 1bu9 h SER 154 Cb 0.16 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 62.03 1bu9 h SER 154 CO 0.04 0.04 -0.33 0.25 -0.53 0.00 0.00 176.83 176.29 1bu9 h LEU 155 N 0.20 -1.13 0.02 2.23 7.12 -1.30 1.49 115.31 123.94 1bu9 h LEU 155 Ca 0.58 0.22 -0.16 0.00 0.13 0.00 0.00 57.88 58.64 1bu9 h LEU 155 Cb 1.86 0.55 -0.02 0.00 -0.53 0.00 0.00 40.66 42.52 1bu9 h LEU 155 CO -0.17 -0.31 -0.88 0.24 -0.13 0.00 0.00 178.44 177.19 1bu9 h MET 156 N -0.19 0.03 -0.64 1.25 2.86 -0.46 -2.31 114.93 115.47 1bu9 h MET 156 Ca 0.21 -0.06 0.13 0.00 -2.06 0.00 0.00 59.70 57.93 1bu9 h MET 156 Cb 0.54 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.12 1bu9 h MET 156 CO -0.63 1.03 0.02 1.96 1.06 0.00 0.00 176.91 180.35 1bu9 h GLN 157 N -0.90 0.13 -0.22 1.72 4.20 0.60 0.29 115.11 120.92 1bu9 h GLN 157 Ca -0.23 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.28 1bu9 h GLN 157 Cb 1.27 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1bu9 h GLN 157 CO -0.11 0.09 -0.62 0.00 -0.67 0.00 0.00 178.83 177.52 1bu9 h ALA 158 N 1.57 0.49 -0.29 3.87 0.00 0.19 -3.11 119.26 121.99 1bu9 h ALA 158 Ca 0.34 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1bu9 h ALA 158 Cb 0.55 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1bu9 h ALA 158 CO -0.53 0.69 0.25 0.09 0.00 0.00 0.00 179.25 179.75 1bu9 n ASN 159 N -3.97 6.03 -2.81 0.00 3.02 0.00 -4.89 115.26 112.64 1bu9 n ASN 159 Ca -0.05 -2.80 -0.03 0.00 -0.03 0.00 0.00 54.58 51.67 1bu9 n ASN 159 Cb 0.66 -1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.82 -2.85 0.00 7.41 0.00 -0.66 -4.88 105.19 105.02 1bu9 n GLY 160 Ca 0.18 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.18 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 2.11 0.00 -2.41 4.61 0.00 -0.90 -4.69 120.51 119.22 1bu9 n ALA 161 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.84 1bu9 n ALA 161 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 1bu9 n ALA 161 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bu9 s GLY 162 N 0.00 0.99 0.15 0.00 0.00 -1.19 -3.55 107.32 103.72 1bu9 s GLY 162 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.54 1bu9 s GLY 162 CO 0.00 2.94 0.00 0.61 0.00 0.00 0.00 173.10 176.65 1bu9 n GLY 163 N 6.58 -2.11 3.38 0.20 0.00 -1.26 -4.73 105.19 107.24 1bu9 n GLY 163 Ca 0.38 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 1bu9 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bu9 s ALA 164 N -2.32 1.27 0.32 4.61 0.00 -1.26 -4.92 121.76 119.46 1bu9 s ALA 164 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 51.96 49.90 1bu9 s ALA 164 Cb 0.00 1.32 -0.10 0.00 0.00 0.00 0.00 23.12 24.34 1bu9 s ALA 164 CO 0.00 -0.72 1.36 0.95 0.00 0.00 0.00 175.76 177.35 1bu9 s THR 165 N -3.34 2.61 0.21 0.00 -4.23 -1.26 -4.98 115.64 104.65 1bu9 s THR 165 Ca 0.36 0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 61.23 1bu9 s THR 165 Cb 0.01 -3.38 -0.08 0.00 1.34 0.00 0.00 72.50 70.40 1bu9 s THR 165 CO 0.23 0.13 0.78 0.21 -0.54 0.00 0.00 174.62 175.43 1bu9 s ASN 166 N -0.25 7.24 -0.28 3.99 2.47 -1.26 -5.06 114.94 121.80 1bu9 s ASN 166 Ca 0.52 1.58 -0.24 0.00 0.42 0.00 0.00 52.86 55.13 1bu9 s ASN 166 Cb -0.41 -2.48 0.11 0.00 -1.45 0.00 0.00 41.25 37.02 1bu9 s ASN 166 CO 0.52 0.10 0.97 -0.22 -3.72 0.00 0.00 177.10 174.75 1bu9 s LEU 167 N -1.62 -0.52 0.00 3.21 2.96 -1.26 -5.36 118.68 116.08 1bu9 s LEU 167 Ca 0.41 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 1bu9 s LEU 167 Cb -0.20 1.98 0.00 0.00 0.50 0.00 0.00 46.19 48.48 1bu9 s LEU 167 CO 0.24 -0.17 0.00 0.00 -1.32 0.00 0.00 176.35 175.10