#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 3.35 -3.26 3.04 0.00 -1.26 -4.97 120.51 117.40 1bu9 n ALA 2 Ca 0.00 -4.14 -0.20 0.00 0.00 0.00 0.00 53.44 49.10 1bu9 n ALA 2 Cb 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 1bu9 n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bu9 s GLU 3 N -1.63 0.85 0.88 0.00 2.02 -1.26 -5.13 118.70 114.41 1bu9 s GLU 3 Ca 0.35 -1.55 -0.12 0.00 0.02 0.00 0.00 54.97 53.67 1bu9 s GLU 3 Cb 0.11 -0.97 0.12 0.00 0.10 0.00 0.00 34.13 33.49 1bu9 s GLU 3 CO -0.09 -1.32 1.14 -1.25 0.02 0.00 0.00 175.26 173.76 1bu9 s PRO 4 N 0.62 1.44 0.36 0.39 0.04 -1.26 -4.17 135.00 132.42 1bu9 s PRO 4 Ca 0.27 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1bu9 s PRO 4 Cb -0.04 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1bu9 s PRO 4 CO -0.11 -2.00 0.00 1.87 0.04 0.00 0.00 177.00 176.80 1bu9 n TRP 5 N -3.64 -3.76 0.00 0.56 -0.00 -1.26 -4.44 117.44 104.90 1bu9 n TRP 5 Ca 0.07 1.98 0.00 0.00 -0.00 0.00 0.00 57.50 59.54 1bu9 n TRP 5 Cb 0.59 -3.18 0.00 0.00 -0.00 0.00 0.00 31.31 28.72 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 -0.22 2.10 1.22 5.87 0.00 -1.26 -4.52 105.19 108.37 1bu9 n GLY 6 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1bu9 n GLY 6 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bu9 n ASN 7 N 2.00 0.07 0.10 1.61 4.05 -1.26 -4.44 115.26 117.39 1bu9 n ASN 7 Ca 0.00 0.02 -0.12 0.00 0.45 0.00 0.00 54.58 54.93 1bu9 n ASN 7 Cb 0.00 -0.01 -0.05 0.00 1.23 0.00 0.00 39.78 40.94 1bu9 n ASN 7 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1bu9 h GLU 8 N 0.00 -0.36 0.77 1.20 4.81 -1.79 0.25 114.58 119.45 1bu9 h GLU 8 Ca 0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1bu9 h GLU 8 Cb 0.00 0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1bu9 h GLU 8 CO 0.00 -0.24 -0.37 1.25 -0.73 0.00 0.00 179.01 178.92 1bu9 h LEU 9 N -0.37 -0.87 -1.46 1.64 5.85 -1.88 -1.02 115.31 117.20 1bu9 h LEU 9 Ca 0.03 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.96 1bu9 h LEU 9 Cb 0.40 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1bu9 h LEU 9 CO -0.12 -0.56 0.83 0.00 -0.34 0.00 0.00 178.44 178.25 1bu9 h ALA 10 N -0.98 2.47 -2.54 1.25 0.00 -1.75 0.78 119.26 118.49 1bu9 h ALA 10 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bu9 h ALA 10 Cb 0.81 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1bu9 h ALA 10 CO 0.17 -1.17 0.00 0.45 0.00 0.00 0.00 179.25 178.70 1bu9 n SER 11 N -3.38 0.00 0.39 0.00 2.88 0.07 -2.19 113.62 111.38 1bu9 n SER 11 Ca 0.14 0.28 -0.15 0.00 -1.33 0.00 0.00 58.87 57.81 1bu9 n SER 11 Cb 1.06 -0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 64.37 1bu9 n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bu9 h ALA 12 N -2.00 -1.16 -0.85 -1.46 0.00 -0.73 0.24 119.26 113.29 1bu9 h ALA 12 Ca 0.00 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.86 1bu9 h ALA 12 Cb 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 18.01 1bu9 h ALA 12 CO 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 179.25 177.95 1bu9 h ALA 13 N -1.45 0.56 -0.30 0.00 0.00 0.43 1.53 119.26 120.03 1bu9 h ALA 13 Ca -0.10 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bu9 h ALA 13 Cb 0.76 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1bu9 h ALA 13 CO 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1bu9 n ALA 14 N -3.41 2.59 0.40 0.00 0.00 -0.93 0.25 120.51 119.41 1bu9 n ALA 14 Ca 0.13 -0.61 0.05 0.00 0.00 0.00 0.00 53.44 53.00 1bu9 n ALA 14 Cb 0.43 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.92 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 0.39 0.64 0.00 0.00 3.00 0.51 -4.44 116.66 116.76 1bu9 n ARG 15 Ca 0.11 -0.99 0.00 0.00 -0.00 0.00 0.00 57.85 56.97 1bu9 n ARG 15 Cb 0.35 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.65 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 0.59 0.30 3.59 5.14 0.00 -0.35 -5.00 105.19 109.47 1bu9 n GLY 16 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 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 3.21 -0.06 1.61 9.92 -0.17 -4.86 116.55 126.20 1bu9 n ASP 17 Ca 0.00 0.41 -0.03 0.00 -0.53 0.00 0.00 54.79 54.64 1bu9 n ASP 17 Cb 0.00 -1.48 -0.01 0.00 -0.64 0.00 0.00 41.12 38.99 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 13.44 0.00 -0.41 0.64 7.12 -1.93 -3.34 115.31 130.83 1bu9 h LEU 18 Ca -0.41 0.00 0.06 0.00 0.13 0.00 0.00 57.88 57.66 1bu9 h LEU 18 Cb 1.26 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.34 1bu9 h LEU 18 CO 0.97 0.59 0.12 1.05 -0.13 0.00 0.00 178.44 181.03 1bu9 h GLU 19 N -0.85 0.25 -0.94 1.25 -0.00 -2.00 -1.24 114.58 111.04 1bu9 h GLU 19 Ca 0.00 -0.02 0.28 0.00 -0.00 0.00 0.00 59.36 59.63 1bu9 h GLU 19 Cb 0.32 -0.06 -0.15 0.00 -0.00 0.00 0.00 28.75 28.86 1bu9 h GLU 19 CO 0.00 0.17 0.36 0.37 -0.00 0.00 0.00 179.01 179.91 1bu9 h GLN 20 N 0.26 0.21 -0.91 1.06 5.75 -1.97 1.40 115.11 120.92 1bu9 h GLN 20 Ca 0.20 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1bu9 h GLN 20 Cb 0.21 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1bu9 h GLN 20 CO -0.23 0.14 0.56 -0.07 -2.65 0.00 0.00 178.83 176.58 1bu9 h LEU 21 N 0.22 1.08 0.87 -2.39 3.38 -1.35 -2.46 115.31 114.66 1bu9 h LEU 21 Ca 0.65 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.52 1bu9 h LEU 21 Cb 1.42 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1bu9 h LEU 21 CO -0.67 0.82 -0.42 0.74 0.09 0.00 0.00 178.44 179.00 1bu9 h THR 22 N 1.25 0.00 -0.64 0.22 2.02 0.20 -1.21 112.91 114.75 1bu9 h THR 22 Ca 0.33 -0.11 0.11 0.00 0.77 0.00 0.00 66.41 67.52 1bu9 h THR 22 Cb -0.07 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.22 1bu9 h THR 22 CO -0.06 0.00 -0.33 0.28 0.37 0.00 0.00 175.52 175.78 1bu9 h SER 23 N -1.27 -1.15 -0.81 4.18 0.02 -1.19 0.28 113.55 113.62 1bu9 h SER 23 Ca -0.12 0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1bu9 h SER 23 Cb 0.89 0.58 -0.05 0.00 0.14 0.00 0.00 62.40 63.97 1bu9 h SER 23 CO 0.20 -0.30 0.50 -0.07 -1.14 0.00 0.00 176.83 176.02 1bu9 h LEU 24 N -0.13 0.81 -0.01 5.07 4.07 -1.41 -0.03 115.31 123.68 1bu9 h LEU 24 Ca 0.25 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.22 1bu9 h LEU 24 Cb 0.55 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1bu9 h LEU 24 CO -0.72 0.54 0.00 0.25 -1.08 0.00 0.00 178.44 177.44 1bu9 h LEU 25 N 0.95 0.02 0.00 1.67 5.85 0.48 1.60 115.31 125.88 1bu9 h LEU 25 Ca 0.34 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1bu9 h LEU 25 Cb 0.09 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1bu9 h LEU 25 CO -0.14 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.24 1bu9 n GLN 26 N -4.95 0.05 -0.05 1.25 10.64 0.72 -3.51 117.38 121.52 1bu9 n GLN 26 Ca -0.08 0.28 -0.08 0.00 -1.83 0.00 0.00 57.00 55.29 1bu9 n GLN 26 Cb 0.15 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.00 1bu9 n GLN 26 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1bu9 n ASN 27 N -1.43 1.66 -3.65 2.61 4.13 -0.05 -5.06 115.26 113.46 1bu9 n ASN 27 Ca 0.03 0.27 -0.00 0.00 1.68 0.00 0.00 54.58 56.56 1bu9 n ASN 27 Cb 0.11 -0.61 -0.06 0.00 -1.54 0.00 0.00 39.78 37.67 1bu9 n ASN 27 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1bu9 s ASN 28 N -6.03 -0.15 0.28 6.41 0.01 0.54 -5.07 114.94 110.92 1bu9 s ASN 28 Ca -0.21 0.26 -0.18 0.00 -0.71 0.00 0.00 52.86 52.02 1bu9 s ASN 28 Cb 0.04 0.86 0.01 0.00 0.41 0.00 0.00 41.25 42.57 1bu9 s ASN 28 CO 0.31 -0.04 0.64 0.68 -1.51 0.00 0.00 177.10 177.18 1bu9 s VAL 29 N 0.84 0.00 -0.63 1.60 -7.23 -1.25 -4.46 120.40 109.27 1bu9 s VAL 29 Ca -0.04 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 1bu9 s VAL 29 Cb -0.03 -2.12 0.19 0.00 0.56 0.00 0.00 36.38 34.98 1bu9 s VAL 29 CO -0.12 0.00 0.51 0.59 -0.31 0.00 0.00 175.10 175.77 1bu9 n ASN 30 N -0.50 2.33 -0.33 4.85 3.02 -1.26 -4.95 115.26 118.42 1bu9 n ASN 30 Ca -0.03 -3.06 0.33 0.00 -0.03 0.00 0.00 54.58 51.78 1bu9 n ASN 30 Cb 0.60 -0.70 0.50 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.93 0.00 -0.08 2.41 0.31 -1.26 0.31 118.33 121.95 1bu9 n VAL 31 Ca 0.23 1.22 0.03 0.00 -0.01 0.00 0.00 64.34 65.82 1bu9 n VAL 31 Cb 0.39 -2.14 0.09 0.00 -0.91 0.00 0.00 33.84 31.27 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 -3.28 2.48 -3.64 4.52 5.03 -1.26 -4.66 115.26 114.45 1bu9 n ASN 32 Ca 0.27 -1.94 -0.15 0.00 0.87 0.00 0.00 54.58 53.63 1bu9 n ASN 32 Cb 1.55 -0.13 0.12 0.00 -1.02 0.00 0.00 39.78 40.29 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 0.14 0.20 -3.15 5.41 0.00 0.90 -4.97 120.51 119.02 1bu9 n ALA 33 Ca 0.07 -0.85 0.06 0.00 0.00 0.00 0.00 53.44 52.71 1bu9 n ALA 33 Cb 0.34 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.15 0.11 0.24 0.00 0.74 -1.26 -4.34 119.66 112.00 1bu9 s GLN 34 Ca 0.29 0.18 -0.04 0.00 0.05 0.00 0.00 55.36 55.84 1bu9 s GLN 34 Cb -0.04 0.10 0.06 0.00 1.10 0.00 0.00 33.01 34.22 1bu9 s GLN 34 CO 0.28 -0.15 0.19 -1.71 -0.55 0.00 0.00 175.29 173.35 1bu9 n ASN 35 N 5.38 -1.56 0.00 6.67 2.85 -0.98 -4.71 115.26 122.91 1bu9 n ASN 35 Ca -0.04 -0.49 0.04 0.00 -0.11 0.00 0.00 54.58 53.99 1bu9 n ASN 35 Cb 0.55 -0.18 0.18 0.00 1.24 0.00 0.00 39.78 41.57 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 0.50 -0.75 0.85 8.20 0.00 -1.26 -0.99 105.19 111.74 1bu9 n GLY 36 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.47 0.67 -2.30 1.61 7.35 -1.26 -4.82 117.46 117.23 1bu9 n PHE 37 Ca 0.02 -0.26 -0.07 0.00 -0.76 0.00 0.00 57.45 56.38 1bu9 n PHE 37 Cb 0.09 -0.14 -0.01 0.00 0.35 0.00 0.00 39.48 39.78 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 0.66 -0.35 3.41 7.13 0.00 -0.16 -3.79 105.19 112.09 1bu9 n GLY 38 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.70 3.48 0.01 1.61 1.04 -1.26 -3.48 118.95 115.66 1bu9 s ARG 39 Ca 0.00 -0.63 0.02 0.00 -1.04 0.00 0.00 55.73 54.08 1bu9 s ARG 39 Cb 0.00 -2.74 -0.04 0.00 -2.04 0.00 0.00 34.95 30.13 1bu9 s ARG 39 CO 0.00 0.21 0.01 0.99 -0.04 0.00 0.00 175.30 176.47 1bu9 s THR 40 N 0.39 4.17 0.61 4.99 2.01 -1.26 -2.33 115.64 124.21 1bu9 s THR 40 Ca -0.08 -0.65 0.26 0.00 0.31 0.00 0.00 61.69 61.53 1bu9 s THR 40 Cb -0.15 -2.88 0.36 0.00 0.01 0.00 0.00 72.50 69.83 1bu9 s THR 40 CO 0.04 0.34 1.59 0.00 -0.69 0.00 0.00 174.62 175.90 1bu9 h ALA 41 N 4.18 2.44 -0.02 7.40 0.00 -1.89 2.26 119.26 133.63 1bu9 h ALA 41 Ca -0.49 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1bu9 h ALA 41 Cb 1.17 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1bu9 h ALA 41 CO 0.58 -1.15 -0.47 1.25 0.00 0.00 0.00 179.25 179.46 1bu9 h LEU 42 N 0.00 0.05 0.00 0.00 7.12 -1.92 2.13 115.31 122.69 1bu9 h LEU 42 Ca 0.30 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1bu9 h LEU 42 Cb 1.94 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 42.05 1bu9 h LEU 42 CO -0.00 0.51 -0.28 0.00 -0.13 0.00 0.00 178.44 178.54 1bu9 n GLN 43 N -3.97 0.03 -0.00 1.25 6.02 0.76 -4.00 117.38 117.46 1bu9 n GLN 43 Ca -0.02 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1bu9 n GLN 43 Cb 0.50 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 1bu9 n GLN 43 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1bu9 n VAL 44 N -1.57 0.02 -0.58 5.09 0.24 -0.86 -4.89 118.33 115.78 1bu9 n VAL 44 Ca 0.06 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 1bu9 n VAL 44 Cb 0.35 0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 32.88 1bu9 n VAL 44 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1bu9 n MET 45 N -1.66 0.00 -1.50 7.34 0.00 0.72 -4.01 117.12 118.01 1bu9 n MET 45 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1bu9 n MET 45 Cb 0.14 -0.64 -0.17 0.00 0.00 0.00 0.00 33.22 32.55 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 2.88 0.02 0.00 3.17 3.00 0.68 -4.64 118.16 123.27 1bu9 n LYS 46 Ca 0.21 -0.01 0.03 0.00 -0.00 0.00 0.00 58.31 58.55 1bu9 n LYS 46 Cb -0.02 -1.38 0.15 0.00 0.00 0.00 0.00 35.03 33.78 1bu9 n LYS 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1bu9 n LEU 47 N 9.02 0.00 -0.25 3.14 4.77 -1.26 -2.03 117.00 130.39 1bu9 n LEU 47 Ca 0.66 0.41 0.01 0.00 -0.03 0.00 0.00 56.01 57.06 1bu9 n LEU 47 Cb 0.07 -0.41 0.08 0.00 -2.33 0.00 0.00 43.42 40.83 1bu9 n LEU 47 CO 0.99 -0.32 0.71 1.23 -1.33 0.00 0.00 177.39 178.67 1bu9 h GLY 48 N 1.11 0.49 -4.01 -0.72 0.00 -1.96 -3.34 103.07 94.65 1bu9 h GLY 48 Ca 0.00 0.25 -0.62 0.00 0.00 0.00 0.00 47.33 46.97 1bu9 h GLY 48 CO 0.00 -0.27 -0.64 0.21 0.00 0.00 0.00 176.54 175.83 1bu9 s ASN 49 N -5.24 5.03 -0.21 0.19 2.47 -0.86 -4.99 114.94 111.33 1bu9 s ASN 49 Ca -0.14 -0.25 -0.16 0.00 0.42 0.00 0.00 52.86 52.73 1bu9 s ASN 49 Cb 0.21 -1.18 -0.19 0.00 -1.45 0.00 0.00 41.25 38.64 1bu9 s ASN 49 CO 0.74 0.12 0.11 -0.81 -3.72 0.00 0.00 177.10 173.54 1bu9 n PRO 50 N 0.13 0.61 -0.33 0.43 -0.04 -1.25 -3.92 135.00 130.63 1bu9 n PRO 50 Ca -0.10 0.44 0.35 0.00 -0.04 0.00 0.00 63.50 64.15 1bu9 n PRO 50 Cb 0.54 -1.68 0.62 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.76 0.00 -0.61 0.54 4.11 -1.93 0.30 114.58 116.23 1bu9 h GLU 51 Ca -0.45 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.04 1bu9 h GLU 51 Cb 1.53 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.70 1bu9 h GLU 51 CO -0.19 0.00 -0.36 0.82 0.07 0.00 0.00 179.01 179.34 1bu9 h ILE 52 N 0.00 0.00 0.04 -1.06 1.08 -1.85 0.41 117.51 116.13 1bu9 h ILE 52 Ca 0.59 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.07 1bu9 h ILE 52 Cb 2.86 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 36.60 1bu9 h ILE 52 CO -0.01 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.34 1bu9 h ALA 53 N -0.09 -0.16 -0.68 1.87 0.00 -0.66 -2.87 119.26 116.68 1bu9 h ALA 53 Ca 0.10 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1bu9 h ALA 53 Cb 0.26 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1bu9 h ALA 53 CO -0.58 -0.62 -0.40 0.54 0.00 0.00 0.00 179.25 178.20 1bu9 n ARG 54 N -5.23 -0.30 -0.35 0.00 1.74 0.12 0.31 116.66 112.95 1bu9 n ARG 54 Ca -0.06 1.14 0.29 0.00 -0.77 0.00 0.00 57.85 58.45 1bu9 n ARG 54 Cb 0.16 -1.67 0.55 0.00 -1.02 0.00 0.00 32.46 30.48 1bu9 n ARG 54 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1bu9 h ARG 55 N 0.00 0.14 0.11 5.56 9.65 -0.58 1.97 114.38 131.24 1bu9 h ARG 55 Ca 0.11 -0.01 -0.35 0.00 -1.10 0.00 0.00 59.98 58.63 1bu9 h ARG 55 Cb 0.28 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 1bu9 h ARG 55 CO -0.64 0.09 -1.87 -0.07 2.80 0.00 0.00 179.97 180.29 1bu9 h LEU 56 N 0.15 0.38 -0.14 3.80 3.38 0.44 -3.34 115.31 119.97 1bu9 h LEU 56 Ca 0.80 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bu9 h LEU 56 Cb 2.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1bu9 h LEU 56 CO -0.65 1.67 0.00 -0.11 0.09 0.00 0.00 178.44 179.45 1bu9 n LEU 57 N -3.42 0.21 -0.16 1.67 7.94 0.91 -2.90 117.00 121.25 1bu9 n LEU 57 Ca -0.27 -0.08 0.13 0.00 -1.11 0.00 0.00 56.01 54.68 1bu9 n LEU 57 Cb 1.05 -0.01 0.38 0.00 0.53 0.00 0.00 43.42 45.37 1bu9 n LEU 57 CO 0.45 0.04 0.63 0.18 -1.11 0.00 0.00 177.39 177.58 1bu9 n LEU 58 N -0.69 0.79 -0.05 -1.96 7.99 0.63 -3.86 117.00 119.84 1bu9 n LEU 58 Ca 0.16 -0.14 -0.06 0.00 -0.01 0.00 0.00 56.01 55.96 1bu9 n LEU 58 Cb 0.11 -0.17 -0.08 0.00 -0.11 0.00 0.00 43.42 43.16 1bu9 n LEU 58 CO 0.12 0.16 -0.85 -1.14 -1.51 0.00 0.00 177.39 174.16 1bu9 n ARG 59 N -0.94 2.08 0.00 3.23 3.00 -1.14 -4.99 116.66 117.90 1bu9 n ARG 59 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1bu9 n ARG 59 Cb 0.34 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.52 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 2.40 -0.35 3.72 5.14 0.00 -1.22 -5.14 105.19 109.74 1bu9 n GLY 60 Ca -0.18 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 3.24 -0.57 4.61 0.00 -1.22 -4.85 121.76 122.97 1bu9 s ALA 61 Ca 0.00 0.49 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 1bu9 s ALA 61 Cb 0.00 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.94 1bu9 s ALA 61 CO 0.00 -0.09 0.80 -0.80 0.00 0.00 0.00 175.76 175.67 1bu9 s ASN 62 N 0.42 6.24 0.03 0.00 0.01 -1.26 -4.87 114.94 115.51 1bu9 s ASN 62 Ca 0.47 -0.85 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 1bu9 s ASN 62 Cb -0.22 -2.36 0.16 0.00 0.41 0.00 0.00 41.25 39.24 1bu9 s ASN 62 CO 0.27 -1.15 1.10 -0.81 -1.51 0.00 0.00 177.10 175.01 1bu9 n PRO 63 N 6.91 0.01 0.08 -0.60 -0.04 -1.26 -0.39 135.00 139.70 1bu9 n PRO 63 Ca -0.04 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1bu9 n PRO 63 Cb 0.45 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.58 0.66 -3.76 3.54 -0.08 -1.26 -1.65 116.55 112.42 1bu9 n ASP 64 Ca 0.00 0.23 -0.18 0.00 -1.51 0.00 0.00 54.79 53.33 1bu9 n ASP 64 Cb 0.02 0.78 -0.19 0.00 2.34 0.00 0.00 41.12 44.07 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 -2.54 -1.24 -4.64 -2.67 4.77 0.47 -4.18 117.00 106.97 1bu9 n LEU 65 Ca -0.01 -0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 55.22 1bu9 n LEU 65 Cb 0.55 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 41.38 1bu9 n LEU 65 CO 0.41 -1.20 0.62 -0.75 -1.33 0.00 0.00 177.39 175.14 1bu9 s LYS 66 N 5.85 0.29 0.02 3.23 2.47 -1.26 -2.85 119.74 127.48 1bu9 s LYS 66 Ca 1.10 0.67 0.00 0.00 -1.56 0.00 0.00 55.97 56.19 1bu9 s LYS 66 Cb -0.71 -1.71 -0.00 0.00 -1.46 0.00 0.00 37.83 33.95 1bu9 s LYS 66 CO 0.48 -2.87 0.01 -0.40 0.16 0.00 0.00 175.35 172.73 1bu9 n ASP 67 N -4.29 1.08 -0.30 1.43 5.75 -1.04 -4.83 116.55 114.34 1bu9 n ASP 67 Ca 0.05 -1.10 0.13 0.00 -0.01 0.00 0.00 54.79 53.86 1bu9 n ASP 67 Cb 0.56 0.04 0.28 0.00 -1.03 0.00 0.00 41.12 40.97 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 0.15 -0.99 0.11 2.43 -1.65 1.12 114.38 115.55 1bu9 h ARG 68 Ca -0.02 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1bu9 h ARG 68 Cb 0.06 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1bu9 h ARG 68 CO 0.02 0.10 0.00 0.25 -1.51 0.00 0.00 179.97 178.84 1bu9 n THR 69 N -5.28 0.13 -4.08 0.20 -2.24 -1.26 -4.78 114.28 96.97 1bu9 n THR 69 Ca 0.21 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.63 1bu9 n THR 69 Cb 0.68 -0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.05 -0.47 3.33 3.38 0.00 0.39 -4.43 105.19 107.44 1bu9 n GLY 70 Ca 0.00 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.28 3.23 0.65 1.61 0.40 -1.24 -2.61 117.98 116.73 1bu9 s PHE 71 Ca 0.71 -1.15 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 1bu9 s PHE 71 Cb -0.38 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 40.82 1bu9 s PHE 71 CO 0.88 -0.66 1.28 0.00 0.70 0.00 0.00 175.22 177.42 1bu9 s ALA 72 N 1.48 2.37 0.48 5.36 0.00 -1.24 -2.50 121.76 127.72 1bu9 s ALA 72 Ca 0.01 1.18 0.32 0.00 0.00 0.00 0.00 51.96 53.47 1bu9 s ALA 72 Cb -0.19 -3.54 1.42 0.00 0.00 0.00 0.00 23.12 20.81 1bu9 s ALA 72 CO 0.04 -1.60 1.74 0.28 0.00 0.00 0.00 175.76 176.23 1bu9 h VAL 73 N 0.50 0.35 -0.82 0.00 2.07 -1.16 3.05 116.25 120.24 1bu9 h VAL 73 Ca -0.51 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1bu9 h VAL 73 Cb 1.33 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1bu9 h VAL 73 CO 0.53 0.02 0.54 0.40 0.02 0.00 0.00 177.57 179.09 1bu9 h ILE 74 N 0.13 1.19 -0.03 4.57 2.04 -1.65 -1.81 117.51 121.95 1bu9 h ILE 74 Ca 0.66 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 66.15 1bu9 h ILE 74 Cb 2.26 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1bu9 h ILE 74 CO -0.16 0.20 -0.14 0.45 0.00 0.00 0.00 178.15 178.50 1bu9 h HIS 75 N 1.09 -0.42 -1.31 1.37 3.86 0.53 0.39 115.15 120.66 1bu9 h HIS 75 Ca 0.31 0.02 0.44 0.00 -1.16 0.00 0.00 60.37 59.97 1bu9 h HIS 75 Cb -0.09 0.19 -0.11 0.00 1.06 0.00 0.00 27.41 28.45 1bu9 h HIS 75 CO -0.00 -0.15 0.86 -0.25 0.86 0.00 0.00 177.93 179.26 1bu9 n ASP 76 N -3.31 0.16 -0.04 2.45 8.00 -0.84 0.28 116.55 123.25 1bu9 n ASP 76 Ca -0.02 1.17 -0.14 0.00 0.71 0.00 0.00 54.79 56.51 1bu9 n ASP 76 Cb 0.10 -0.58 -0.12 0.00 -0.02 0.00 0.00 41.12 40.51 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 1.33 0.01 0.03 2.24 0.00 0.47 -3.38 119.26 119.96 1bu9 h ALA 77 Ca 0.79 -0.43 -0.35 0.00 0.00 0.00 0.00 54.91 54.92 1bu9 h ALA 77 Cb 2.65 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.41 1bu9 h ALA 77 CO -0.35 -0.03 -1.98 0.00 0.00 0.00 0.00 179.25 176.89 1bu9 n ALA 78 N -2.52 1.03 -0.18 0.00 0.00 0.21 0.25 120.51 119.30 1bu9 n ALA 78 Ca -0.10 -0.77 0.07 0.00 0.00 0.00 0.00 53.44 52.65 1bu9 n ALA 78 Cb 0.44 -0.35 0.14 0.00 0.00 0.00 0.00 19.45 19.68 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 -3.93 -0.04 -0.08 0.00 0.00 0.79 -1.96 116.66 111.44 1bu9 n ARG 79 Ca -0.40 0.76 -0.08 0.00 -0.00 0.00 0.00 57.85 58.14 1bu9 n ARG 79 Cb 0.88 -1.21 -0.03 0.00 0.00 0.00 0.00 32.46 32.11 1bu9 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bu9 n ALA 80 N -3.43 0.70 0.00 5.13 0.00 -1.26 -4.54 120.51 117.12 1bu9 n ALA 80 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1bu9 n ALA 80 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1bu9 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bu9 n GLY 81 N 1.52 0.00 2.74 0.00 0.00 -0.83 -4.93 105.19 103.69 1bu9 n GLY 81 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1bu9 n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bu9 n PHE 82 N 0.00 3.47 0.37 1.61 3.72 0.68 -4.92 117.46 122.39 1bu9 n PHE 82 Ca 0.00 -3.90 -0.17 0.00 -0.05 0.00 0.00 57.45 53.33 1bu9 n PHE 82 Cb 0.00 -0.81 -0.08 0.00 -0.94 0.00 0.00 39.48 37.65 1bu9 n PHE 82 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1bu9 h LEU 83 N 4.94 -0.80 -1.68 4.37 6.46 -1.93 1.61 115.31 128.28 1bu9 h LEU 83 Ca 0.18 -0.00 0.14 0.00 -0.12 0.00 0.00 57.88 58.09 1bu9 h LEU 83 Cb 0.70 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1bu9 h LEU 83 CO 0.91 -0.49 0.64 0.44 -0.62 0.00 0.00 178.44 179.32 1bu9 h ASP 84 N -1.09 0.00 0.47 1.25 5.19 -1.93 3.18 116.42 123.48 1bu9 h ASP 84 Ca -0.10 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.01 1bu9 h ASP 84 Cb 0.75 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 1bu9 h ASP 84 CO 0.16 0.00 -1.49 0.74 -3.12 0.00 0.00 179.24 175.53 1bu9 h THR 85 N 0.00 1.20 0.00 0.35 2.02 -1.53 -2.55 112.91 112.41 1bu9 h THR 85 Ca 0.23 -2.83 -0.04 0.00 0.77 0.00 0.00 66.41 64.55 1bu9 h THR 85 Cb 1.51 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 70.70 1bu9 h THR 85 CO -0.00 0.83 -0.17 0.25 0.37 0.00 0.00 175.52 176.80 1bu9 h LEU 86 N 0.07 0.00 -0.19 2.58 6.46 1.70 -1.53 115.31 124.40 1bu9 h LEU 86 Ca -0.23 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.44 1bu9 h LEU 86 Cb 2.01 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.94 1bu9 h LEU 86 CO 0.17 0.17 -0.22 1.56 -0.62 0.00 0.00 178.44 179.50 1bu9 h GLN 87 N 0.00 0.49 -0.83 1.25 4.20 0.22 -1.82 115.11 118.61 1bu9 h GLN 87 Ca -0.00 -0.27 0.21 0.00 0.06 0.00 0.00 58.65 58.65 1bu9 h GLN 87 Cb 0.38 0.02 -0.14 0.00 0.30 0.00 0.00 27.48 28.04 1bu9 h GLN 87 CO 0.02 0.85 0.15 1.15 -0.67 0.00 0.00 178.83 180.34 1bu9 h THR 88 N 0.15 0.33 0.62 -0.54 2.02 -0.85 1.74 112.91 116.38 1bu9 h THR 88 Ca 0.03 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1bu9 h THR 88 Cb 0.78 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1bu9 h THR 88 CO 0.05 0.03 -0.30 -0.07 0.37 0.00 0.00 175.52 175.61 1bu9 h LEU 89 N 0.18 -0.71 -0.22 2.58 4.07 -1.36 -1.30 115.31 118.55 1bu9 h LEU 89 Ca 0.50 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.54 1bu9 h LEU 89 Cb 0.96 0.18 -0.05 0.00 1.08 0.00 0.00 40.66 42.82 1bu9 h LEU 89 CO -0.65 -0.33 -0.12 0.25 -1.08 0.00 0.00 178.44 176.50 1bu9 h LEU 90 N -1.19 -0.41 -0.85 1.67 7.12 -0.41 0.84 115.31 122.09 1bu9 h LEU 90 Ca -0.09 0.09 0.21 0.00 0.13 0.00 0.00 57.88 58.23 1bu9 h LEU 90 Cb 0.64 0.22 -0.13 0.00 -0.53 0.00 0.00 40.66 40.86 1bu9 h LEU 90 CO 0.14 -0.16 0.21 -0.08 -0.13 0.00 0.00 178.44 178.42 1bu9 h GLU 91 N -0.10 0.22 -1.05 1.25 4.57 0.26 1.08 114.58 120.80 1bu9 h GLU 91 Ca 0.12 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.03 1bu9 h GLU 91 Cb 0.29 -0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 28.68 1bu9 h GLU 91 CO -0.29 0.14 0.33 1.19 -1.18 0.00 0.00 179.01 179.21 1bu9 n PHE 92 N -5.21 1.52 -3.49 0.92 3.72 0.04 -4.85 117.46 110.11 1bu9 n PHE 92 Ca 0.19 -1.24 -0.19 0.00 -0.05 0.00 0.00 57.45 56.16 1bu9 n PHE 92 Cb 0.62 -0.63 0.09 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.25 -7.04 -2.72 -1.08 1.13 0.37 -4.92 117.38 102.87 1bu9 n GLN 93 Ca 0.30 0.84 -0.41 0.00 -1.94 0.00 0.00 57.00 55.78 1bu9 n GLN 93 Cb 1.03 -5.87 -0.04 0.00 0.11 0.00 0.00 30.24 25.48 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 -3.35 3.21 -0.85 -1.58 0.00 0.27 -4.89 121.76 114.57 1bu9 s ALA 94 Ca 0.19 0.56 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 1bu9 s ALA 94 Cb -0.08 -3.30 -0.21 0.00 0.00 0.00 0.00 23.12 19.53 1bu9 s ALA 94 CO 0.73 -0.10 2.35 -0.25 0.00 0.00 0.00 175.76 178.49 1bu9 n ASP 95 N 3.20 0.63 0.31 0.00 8.00 -1.26 -4.53 116.55 122.90 1bu9 n ASP 95 Ca 0.04 -0.96 0.17 0.00 0.71 0.00 0.00 54.79 54.74 1bu9 n ASP 95 Cb 0.50 -1.22 0.87 0.00 -0.02 0.00 0.00 41.12 41.25 1bu9 n ASP 95 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bu9 h VAL 96 N 7.48 0.06 -0.60 2.53 2.07 -1.96 1.57 116.25 127.40 1bu9 h VAL 96 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1bu9 h VAL 96 Cb 1.09 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1bu9 h VAL 96 CO 1.26 0.00 0.07 0.59 0.02 0.00 0.00 177.57 179.51 1bu9 n ASN 97 N -3.04 5.36 -4.59 0.57 3.02 -1.26 -4.64 115.26 110.67 1bu9 n ASN 97 Ca -0.01 -2.97 -0.43 0.00 -0.03 0.00 0.00 54.58 51.14 1bu9 n ASN 97 Cb 0.36 -0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 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 -2.75 3.90 0.00 2.41 -1.16 0.54 -4.93 121.20 119.21 1bu9 s ILE 98 Ca 0.53 0.88 0.00 0.00 -0.51 0.00 0.00 60.65 61.55 1bu9 s ILE 98 Cb 0.41 -4.31 0.00 0.00 0.61 0.00 0.00 42.46 39.16 1bu9 s ILE 98 CO 0.15 -0.90 0.00 -0.62 -2.81 0.00 0.00 174.94 170.75 1bu9 n GLU 99 N 8.22 3.86 0.00 3.50 1.02 -1.26 -3.53 120.64 132.45 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 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 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 -1.65 1.62 5.75 0.36 -3.63 116.55 119.00 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 0.59 -0.11 0.00 0.00 177.20 177.68 1bu9 n ASN 101 N 0.00 3.52 0.00 -1.12 4.13 -1.07 -4.28 115.26 116.43 1bu9 n ASN 101 Ca 0.00 -2.85 0.00 0.00 1.68 0.00 0.00 54.58 53.41 1bu9 n ASN 101 Cb 0.00 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.55 1bu9 n ASN 101 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bu9 n GLU 102 N -0.34 0.00 0.00 3.52 1.02 -1.26 -5.07 120.64 118.51 1bu9 n GLU 102 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1bu9 n GLU 102 Cb 1.10 -0.08 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 -0.67 1.87 3.76 0.62 0.00 -1.26 -4.17 105.19 105.34 1bu9 n GLY 103 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 6.04 0.52 1.61 0.01 -1.26 -4.44 114.94 117.43 1bu9 s ASN 104 Ca 0.00 2.56 0.01 0.00 -0.71 0.00 0.00 52.86 54.72 1bu9 s ASN 104 Cb 0.00 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 39.04 1bu9 s ASN 104 CO 0.00 -1.02 0.08 0.00 -1.51 0.00 0.00 177.10 174.65 1bu9 n LEU 105 N -0.32 0.00 0.00 0.60 -0.00 -1.26 -0.48 117.00 115.53 1bu9 n LEU 105 Ca 0.06 -3.17 0.00 0.00 -0.00 0.00 0.00 56.01 52.91 1bu9 n LEU 105 Cb 0.45 0.28 0.00 0.00 -0.00 0.00 0.00 43.42 44.16 1bu9 n LEU 105 CO 0.52 -0.48 0.42 -0.81 -0.00 0.00 0.00 177.39 177.04 1bu9 n PRO 106 N -1.39 0.00 0.02 1.47 -0.04 -1.23 -1.16 135.00 132.68 1bu9 n PRO 106 Ca -0.18 0.33 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 1bu9 n PRO 106 Cb 0.65 -1.52 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.38 -0.08 1.53 6.46 -1.89 -2.43 115.31 119.27 1bu9 h LEU 107 Ca 0.00 -0.91 -0.03 0.00 -0.12 0.00 0.00 57.88 56.82 1bu9 h LEU 107 Cb 0.04 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1bu9 h LEU 107 CO 0.00 1.42 -0.06 0.45 -0.62 0.00 0.00 178.44 179.63 1bu9 h HIS 108 N -0.44 0.22 -0.03 1.25 3.86 -1.39 -2.72 115.15 115.90 1bu9 h HIS 108 Ca -0.18 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1bu9 h HIS 108 Cb 1.60 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 30.02 1bu9 h HIS 108 CO 0.18 0.58 -0.06 -0.07 0.86 0.00 0.00 177.93 179.43 1bu9 h LEU 109 N -0.20 -0.18 -1.72 2.43 4.07 -1.35 2.46 115.31 120.82 1bu9 h LEU 109 Ca 0.02 0.02 0.36 0.00 0.08 0.00 0.00 57.88 58.36 1bu9 h LEU 109 Cb 0.53 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.30 1bu9 h LEU 109 CO 0.02 -0.05 1.06 0.00 -1.08 0.00 0.00 178.44 178.39 1bu9 h ALA 110 N -1.25 3.14 0.10 1.53 0.00 -1.52 2.29 119.26 123.55 1bu9 h ALA 110 Ca 0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1bu9 h ALA 110 Cb 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bu9 h ALA 110 CO -0.05 -1.70 -1.43 0.00 0.00 0.00 0.00 179.25 176.06 1bu9 h ALA 111 N 1.05 0.27 -0.47 0.00 0.00 0.10 1.16 119.26 121.38 1bu9 h ALA 111 Ca 0.59 -1.07 0.09 0.00 0.00 0.00 0.00 54.91 54.53 1bu9 h ALA 111 Cb 2.70 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 20.59 1bu9 h ALA 111 CO -0.01 1.14 -0.23 -0.22 0.00 0.00 0.00 179.25 179.93 1bu9 h LYS 112 N 0.06 -0.13 -0.05 0.00 3.11 2.00 0.22 116.57 121.78 1bu9 h LYS 112 Ca -0.20 0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.48 1bu9 h LYS 112 Cb 1.98 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 33.23 1bu9 h LYS 112 CO 0.16 -0.09 -0.69 0.93 -2.81 0.00 0.00 179.45 176.96 1bu9 h GLU 113 N -0.13 0.25 0.00 1.90 4.39 -1.61 -3.46 114.58 115.91 1bu9 h GLU 113 Ca 0.22 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1bu9 h GLU 113 Cb 0.47 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1bu9 h GLU 113 CO -0.55 0.84 0.00 0.41 -1.16 0.00 0.00 179.01 178.56 1bu9 n GLY 114 N 0.46 1.51 3.50 -3.84 0.00 0.78 -4.95 105.19 102.64 1bu9 n GLY 114 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.18 0.45 0.00 1.61 8.25 0.39 -4.76 115.22 119.99 1bu9 n HIS 115 Ca 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 1bu9 n HIS 115 Cb 0.00 -1.38 0.00 0.00 1.12 0.00 0.00 29.99 29.73 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 12.15 0.00 -0.69 2.41 0.00 -1.26 0.74 117.00 130.34 1bu9 n LEU 116 Ca 0.45 0.42 0.52 0.00 0.00 0.00 0.00 56.01 57.40 1bu9 n LEU 116 Cb 0.43 0.00 0.80 0.00 0.00 0.00 0.00 43.42 44.66 1bu9 n LEU 116 CO 1.01 0.00 1.45 -1.14 0.00 0.00 0.00 177.39 178.71 1bu9 n ARG 117 N -0.69 -0.00 0.00 1.96 0.00 -1.26 0.19 116.66 116.86 1bu9 n ARG 117 Ca 0.00 1.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.91 1bu9 n ARG 117 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 32.46 30.01 1bu9 n ARG 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1bu9 n VAL 118 N -3.90 0.00 0.02 5.15 0.31 -0.16 -2.31 118.33 117.44 1bu9 n VAL 118 Ca 0.44 0.88 0.21 0.00 -0.01 0.00 0.00 64.34 65.86 1bu9 n VAL 118 Cb 1.97 -1.86 0.71 0.00 -0.91 0.00 0.00 33.84 33.76 1bu9 n VAL 118 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1bu9 h VAL 119 N 0.00 0.64 -0.55 2.52 2.07 0.22 1.11 116.25 122.26 1bu9 h VAL 119 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1bu9 h VAL 119 Cb 0.00 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1bu9 h VAL 119 CO 0.00 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 177.89 1bu9 h GLU 120 N 0.00 0.18 -0.09 1.57 4.22 0.21 -0.31 114.58 120.36 1bu9 h GLU 120 Ca 0.24 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.62 1bu9 h GLU 120 Cb 1.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1bu9 h GLU 120 CO -0.00 0.12 -0.16 0.35 -2.18 0.00 0.00 179.01 177.14 1bu9 h PHE 121 N 0.19 0.33 -0.26 0.92 3.04 0.17 0.22 116.94 121.54 1bu9 h PHE 121 Ca 0.26 -0.12 0.08 0.00 3.98 0.00 0.00 57.97 62.17 1bu9 h PHE 121 Cb 0.78 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 1bu9 h PHE 121 CO -0.00 0.76 0.42 -0.07 -2.02 0.00 0.00 178.31 177.40 1bu9 h LEU 122 N -0.20 0.00 0.00 0.59 3.38 -0.98 0.16 115.31 118.26 1bu9 h LEU 122 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1bu9 h LEU 122 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1bu9 h LEU 122 CO 0.04 0.00 -1.94 0.55 0.09 0.00 0.00 178.44 177.17 1bu9 n VAL 123 N -3.40 0.23 0.09 1.22 3.14 -0.90 -3.63 118.33 115.09 1bu9 n VAL 123 Ca 0.04 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.79 1bu9 n VAL 123 Cb 0.55 -0.05 -0.08 0.00 -1.06 0.00 0.00 33.84 33.19 1bu9 n VAL 123 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1bu9 h LYS 124 N 0.00 0.30 0.00 1.45 1.63 0.22 -3.47 116.57 116.69 1bu9 h LYS 124 Ca -0.09 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1bu9 h LYS 124 Cb 1.11 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1bu9 h LYS 124 CO 0.01 1.13 0.00 0.72 -3.45 0.00 0.00 179.45 177.86 1bu9 n HIS 125 N -3.62 0.00 -0.63 1.91 8.25 -0.23 -5.07 115.22 115.83 1bu9 n HIS 125 Ca -0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1bu9 n HIS 125 Cb 0.92 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.03 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 1.80 1.59 -2.24 -1.26 -3.46 114.28 110.71 1bu9 n THR 126 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1bu9 n THR 126 Cb 0.00 -0.02 0.77 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.21 2.64 -1.89 6.98 0.00 -1.26 -5.00 120.51 121.77 1bu9 n ALA 127 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1bu9 n ALA 127 Cb 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.52 -6.00 -2.48 0.00 7.64 -1.22 -4.68 113.62 106.35 1bu9 n SER 128 Ca 0.22 1.28 -0.25 0.00 1.01 0.00 0.00 58.87 61.12 1bu9 n SER 128 Cb 0.21 -3.91 -0.08 0.00 -1.01 0.00 0.00 64.21 59.42 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 1.58 6.39 -3.33 6.43 6.94 -1.26 -4.85 115.26 127.16 1bu9 n ASN 129 Ca 0.00 -3.04 -0.29 0.00 -0.02 0.00 0.00 54.58 51.23 1bu9 n ASN 129 Cb 0.00 -1.29 -0.07 0.00 -2.36 0.00 0.00 39.78 36.06 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 1.33 0.13 0.00 3.53 0.24 -1.26 -1.12 118.33 121.18 1bu9 n VAL 130 Ca 0.49 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 1bu9 n VAL 130 Cb 0.60 -1.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 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 4.61 -0.57 3.11 7.63 0.00 -0.84 -4.76 105.19 114.37 1bu9 n GLY 131 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.66 -3.85 1.61 -0.00 -0.28 -4.83 115.22 105.21 1bu9 n HIS 132 Ca 0.00 0.46 -0.30 0.00 -0.00 0.00 0.00 57.72 57.88 1bu9 n HIS 132 Cb 0.00 -1.63 -0.15 0.00 -0.00 0.00 0.00 29.99 28.21 1bu9 n HIS 132 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1bu9 s ARG 133 N -0.96 1.08 0.00 1.57 3.03 -1.26 -2.73 118.95 119.68 1bu9 s ARG 133 Ca 0.55 -1.21 0.00 0.00 2.03 0.00 0.00 55.73 57.10 1bu9 s ARG 133 Cb -0.49 -2.42 0.00 0.00 -1.03 0.00 0.00 34.95 31.01 1bu9 s ARG 133 CO 0.63 -0.87 0.00 0.27 -1.13 0.00 0.00 175.30 174.20 1bu9 n ASN 134 N 4.68 0.00 0.10 -2.89 6.94 -1.20 -4.50 115.26 118.39 1bu9 n ASN 134 Ca -0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.30 1bu9 n ASN 134 Cb 0.43 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.69 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 0.78 0.02 -2.53 3.86 -1.85 -3.39 115.15 112.06 1bu9 h HIS 135 Ca 0.00 -0.57 -0.39 0.00 -1.16 0.00 0.00 60.37 58.25 1bu9 h HIS 135 Cb 0.00 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.38 1bu9 h HIS 135 CO 0.00 1.49 -2.23 1.63 0.86 0.00 0.00 177.93 179.68 1bu9 n LYS 136 N -3.86 0.64 0.00 2.45 5.02 -1.26 -4.99 118.16 116.16 1bu9 n LYS 136 Ca -0.17 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1bu9 n LYS 136 Cb 1.00 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 1.78 -0.30 3.55 0.72 0.00 -1.26 -4.99 105.19 104.68 1bu9 n GLY 137 Ca -0.44 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 2.02 -2.97 1.61 8.00 -1.26 -4.03 116.55 119.93 1bu9 n ASP 138 Ca 0.00 -0.59 -0.08 0.00 0.71 0.00 0.00 54.79 54.83 1bu9 n ASP 138 Cb 0.00 -1.53 0.07 0.00 -0.02 0.00 0.00 41.12 39.64 1bu9 n ASP 138 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bu9 n THR 139 N 8.04 0.00 0.72 -3.53 -2.24 -1.11 -3.26 114.28 112.91 1bu9 n THR 139 Ca 0.41 -0.04 0.06 0.00 -2.27 0.00 0.00 64.05 62.22 1bu9 n THR 139 Cb 0.48 -0.49 0.35 0.00 -2.10 0.00 0.00 70.33 68.57 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 -3.64 1.89 -0.13 6.98 0.00 -1.26 -2.37 120.51 121.98 1bu9 n ALA 140 Ca -0.05 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 1bu9 n ALA 140 Cb 0.15 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.46 0.60 -0.07 0.00 8.00 -1.01 -0.35 116.55 120.25 1bu9 n ASP 142 Ca -0.47 0.72 -0.06 0.00 0.71 0.00 0.00 54.79 55.68 1bu9 n ASP 142 Cb 0.97 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1bu9 n ASP 142 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1bu9 n LEU 143 N -2.24 1.82 0.10 0.64 4.77 -1.00 -3.05 117.00 118.04 1bu9 n LEU 143 Ca 0.00 0.60 0.18 0.00 -0.03 0.00 0.00 56.01 56.76 1bu9 n LEU 143 Cb 0.12 -0.87 0.73 0.00 -2.33 0.00 0.00 43.42 41.07 1bu9 n LEU 143 CO 0.14 -0.41 1.16 0.00 -1.33 0.00 0.00 177.39 176.95 1bu9 h ALA 144 N -0.97 2.20 0.57 -1.18 0.00 -1.43 -0.05 119.26 118.41 1bu9 h ALA 144 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1bu9 h ALA 144 Cb 0.60 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bu9 h ALA 144 CO -0.02 -0.48 -0.27 -0.09 0.00 0.00 0.00 179.25 178.39 1bu9 h ARG 145 N 0.00 -0.74 -0.83 0.00 2.43 -0.81 0.85 114.38 115.28 1bu9 h ARG 145 Ca 0.17 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.50 1bu9 h ARG 145 Cb 0.76 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.41 1bu9 h ARG 145 CO -0.00 -0.49 0.54 -0.07 -1.51 0.00 0.00 179.97 178.43 1bu9 h LEU 146 N -1.03 0.67 0.00 3.80 3.38 -1.34 0.48 115.31 121.29 1bu9 h LEU 146 Ca -0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1bu9 h LEU 146 Cb 0.59 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1bu9 h LEU 146 CO 0.13 0.39 0.00 -1.22 0.09 0.00 0.00 178.44 177.83 1bu9 n TYR 147 N -4.52 0.00 0.00 1.13 4.01 -0.08 -4.82 117.16 112.88 1bu9 n TYR 147 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1bu9 n TYR 147 Cb 0.36 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.14 2.83 3.56 2.72 0.00 0.17 -4.95 105.19 109.66 1bu9 n GLY 148 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 1.31 -0.00 1.61 3.00 0.29 -4.68 116.66 116.19 1bu9 n ARG 149 Ca 0.00 -2.29 -0.17 0.00 -0.01 0.00 0.00 57.85 55.38 1bu9 n ARG 149 Cb 0.00 -3.72 -0.12 0.00 0.00 0.00 0.00 32.46 28.62 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 9.96 0.40 -1.25 0.55 7.08 -1.86 -1.06 115.58 129.39 1bu9 h ASN 150 Ca 0.19 -0.81 0.36 0.00 -3.08 0.00 0.00 56.30 52.97 1bu9 h ASN 150 Cb 0.93 -0.12 -0.06 0.00 -2.08 0.00 0.00 38.32 36.99 1bu9 h ASN 150 CO 1.23 1.16 0.89 -0.08 -2.08 0.00 0.00 177.43 178.55 1bu9 h GLU 151 N -0.31 0.04 0.13 4.14 4.57 -1.94 2.64 114.58 123.85 1bu9 h GLU 151 Ca -0.07 -0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.82 1bu9 h GLU 151 Cb 1.25 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1bu9 h GLU 151 CO 0.10 0.02 -1.35 0.28 -1.18 0.00 0.00 179.01 176.88 1bu9 h VAL 152 N 0.04 1.37 0.35 0.32 2.07 -1.82 -2.34 116.25 116.24 1bu9 h VAL 152 Ca 0.61 -2.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.16 1bu9 h VAL 152 Cb 2.35 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 35.02 1bu9 h VAL 152 CO -0.05 0.86 -0.17 0.58 0.02 0.00 0.00 177.57 178.82 1bu9 h VAL 153 N 0.08 0.00 -1.04 2.57 2.07 0.52 -3.05 116.25 117.40 1bu9 h VAL 153 Ca -0.18 -0.37 0.27 0.00 0.82 0.00 0.00 66.70 67.24 1bu9 h VAL 153 Cb 2.00 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 1bu9 h VAL 153 CO 0.19 0.00 0.68 0.28 0.02 0.00 0.00 177.57 178.74 1bu9 h SER 154 N -0.85 0.38 -0.44 0.57 0.02 0.18 0.88 113.55 114.29 1bu9 h SER 154 Ca -0.05 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1bu9 h SER 154 Cb 0.36 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 1bu9 h SER 154 CO 0.08 0.08 -0.32 0.25 -1.14 0.00 0.00 176.83 175.78 1bu9 h LEU 155 N 0.34 -1.08 0.00 5.07 7.12 -1.32 1.46 115.31 126.90 1bu9 h LEU 155 Ca 0.57 0.20 -0.06 0.00 0.13 0.00 0.00 57.88 58.73 1bu9 h LEU 155 Cb 1.56 0.52 -0.01 0.00 -0.53 0.00 0.00 40.66 42.20 1bu9 h LEU 155 CO -0.24 -0.31 -0.33 0.24 -0.13 0.00 0.00 178.44 177.66 1bu9 h MET 156 N -0.23 0.00 -0.72 1.25 2.86 -0.46 -1.99 114.93 115.65 1bu9 h MET 156 Ca 0.19 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.99 1bu9 h MET 156 Cb 0.54 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.08 1bu9 h MET 156 CO -0.57 0.80 0.10 1.96 1.06 0.00 0.00 176.91 180.26 1bu9 h GLN 157 N -1.00 0.19 -0.29 1.72 4.20 0.75 0.63 115.11 121.30 1bu9 h GLN 157 Ca -0.08 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.45 1bu9 h GLN 157 Cb 0.90 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1bu9 h GLN 157 CO -0.05 0.12 -0.46 0.00 -0.67 0.00 0.00 178.83 177.78 1bu9 h ALA 158 N 1.63 0.64 -0.02 3.87 0.00 0.19 -3.12 119.26 122.45 1bu9 h ALA 158 Ca 0.40 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1bu9 h ALA 158 Cb 0.69 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1bu9 h ALA 158 CO -0.56 0.67 -0.11 0.09 0.00 0.00 0.00 179.25 179.35 1bu9 n ASN 159 N -4.02 5.36 -4.43 0.00 5.03 0.67 -4.73 115.26 113.15 1bu9 n ASN 159 Ca -0.03 -2.46 -0.41 0.00 0.87 0.00 0.00 54.58 52.55 1bu9 n ASN 159 Cb 0.57 -1.22 -0.06 0.00 -1.02 0.00 0.00 39.78 38.05 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 1.78 -0.42 0.00 7.41 0.00 -1.08 -4.71 105.19 108.17 1bu9 n GLY 160 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.18 1.44 -1.32 4.61 0.00 0.19 -4.75 120.51 116.49 1bu9 n ALA 161 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1bu9 n ALA 161 Cb 0.46 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 1.75 0.02 3.56 0.00 0.00 -0.07 -1.99 105.19 108.46 1bu9 n GLY 162 Ca 0.00 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.12 0.43 0.26 -0.02 0.00 -1.26 -4.70 107.32 100.91 1bu9 s GLY 163 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.16 1bu9 s GLY 163 CO 0.00 3.26 0.50 0.00 0.00 0.00 0.00 173.10 176.86 1bu9 s ALA 164 N 8.60 -0.24 0.58 3.20 0.00 -1.26 -4.99 121.76 127.64 1bu9 s ALA 164 Ca 0.62 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1bu9 s ALA 164 Cb -0.07 1.05 0.08 0.00 0.00 0.00 0.00 23.12 24.18 1bu9 s ALA 164 CO 0.04 -0.86 0.80 -0.08 0.00 0.00 0.00 175.76 175.65 1bu9 s THR 165 N -3.90 2.36 0.45 0.00 -1.32 -1.26 -5.03 115.64 106.94 1bu9 s THR 165 Ca 0.22 -0.86 -0.21 0.00 -1.21 0.00 0.00 61.69 59.64 1bu9 s THR 165 Cb -0.01 -2.50 -0.10 0.00 -1.51 0.00 0.00 72.50 68.38 1bu9 s THR 165 CO 0.10 0.00 0.98 0.21 -2.21 0.00 0.00 174.62 173.70 1bu9 s ASN 166 N -4.60 6.72 -0.29 8.08 3.84 -1.26 -5.00 114.94 122.43 1bu9 s ASN 166 Ca 0.61 1.78 -0.14 0.00 0.21 0.00 0.00 52.86 55.33 1bu9 s ASN 166 Cb -0.07 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.05 1bu9 s ASN 166 CO 0.39 -0.52 0.31 -0.22 -2.79 0.00 0.00 177.10 174.28 1bu9 s LEU 167 N -3.28 4.12 0.00 3.21 2.96 -1.26 -5.24 118.68 119.19 1bu9 s LEU 167 Ca 0.64 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1bu9 s LEU 167 Cb -0.12 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1bu9 s LEU 167 CO 0.16 -0.17 0.29 1.67 -1.32 0.00 0.00 176.35 176.97