#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx s ASP 2 N 0.00 0.11 0.96 3.17 1.01 -1.26 -4.53 116.67 116.12 2kbx s ASP 2 Ca 0.00 -1.19 0.00 0.00 0.71 0.00 0.00 52.55 52.07 2kbx s ASP 2 Cb 0.00 0.84 0.00 0.00 1.01 0.00 0.00 42.92 44.77 2kbx s ASP 2 CO 0.00 -1.66 0.00 -0.67 0.21 0.00 0.00 175.17 173.05 2kbx n ASP 3 N -1.43 0.00 0.06 0.27 2.03 -1.26 -1.27 116.55 114.95 2kbx n ASP 3 Ca -0.07 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.11 2kbx n ASP 3 Cb 0.60 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.92 2kbx n ASP 3 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2kbx h ILE 4 N 0.00 1.05 -0.81 5.18 2.04 -1.98 0.57 117.51 123.56 2kbx h ILE 4 Ca 0.00 -0.65 0.15 0.00 1.00 0.00 0.00 64.86 65.35 2kbx h ILE 4 Cb 0.00 1.46 -0.15 0.00 -0.74 0.00 0.00 36.82 37.39 2kbx h ILE 4 CO 0.00 0.16 -0.28 -0.26 0.00 0.00 0.00 178.15 177.76 2kbx h PHE 5 N -0.46 -0.72 0.14 1.37 0.04 -1.57 1.65 116.94 117.40 2kbx h PHE 5 Ca -0.02 0.08 -0.30 0.00 2.80 0.00 0.00 57.97 60.54 2kbx h PHE 5 Cb 0.37 0.44 0.03 0.00 2.20 0.00 0.00 35.95 38.99 2kbx h PHE 5 CO 0.03 -0.38 -1.25 0.00 -0.60 0.00 0.00 178.31 176.11 2kbx h THR 6 N -0.04 1.29 0.00 -1.55 1.03 -1.47 -3.00 112.91 109.16 2kbx h THR 6 Ca 0.35 -2.48 0.00 0.00 -0.01 0.00 0.00 66.41 64.26 2kbx h THR 6 Cb 0.59 2.77 0.00 0.00 -1.07 0.00 0.00 68.15 70.44 2kbx h THR 6 CO -0.85 0.75 0.00 0.00 -0.01 0.00 0.00 175.52 175.42 2kbx n GLN 7 N -3.81 0.01 -0.08 0.00 6.02 0.19 -2.44 117.38 117.27 2kbx n GLN 7 Ca -0.14 0.26 -0.16 0.00 -0.01 0.00 0.00 57.00 56.95 2kbx n GLN 7 Cb 0.99 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.65 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kbx n ARG 9 N -4.54 0.14 0.00 0.00 0.00 -1.15 -2.18 116.66 108.93 2kbx n ARG 9 Ca -0.19 0.48 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 2kbx n ARG 9 Cb 0.51 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 31.13 2kbx n ARG 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2kbx n GLU 10 N -2.12 0.00 -0.05 -0.14 2.13 -1.02 -4.62 120.64 114.81 2kbx n GLU 10 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2kbx n GLU 10 Cb 0.14 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.35 2kbx n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kbx n GLY 11 N -0.99 0.56 2.51 8.31 0.00 -0.92 -4.94 105.19 109.72 2kbx n GLY 11 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2kbx n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbx n ASN 12 N 0.00 4.71 -0.00 1.61 5.03 -1.07 -4.55 115.26 121.00 2kbx n ASN 12 Ca 0.00 -2.28 0.18 0.00 0.87 0.00 0.00 54.58 53.35 2kbx n ASN 12 Cb 0.00 -1.06 0.33 0.00 -1.02 0.00 0.00 39.78 38.03 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kbx h ALA 13 N 5.80 2.56 0.03 5.41 0.00 -1.92 2.83 119.26 133.96 2kbx h ALA 13 Ca 0.43 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 55.06 2kbx h ALA 13 Cb 0.32 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kbx h ALA 13 CO 1.22 -1.40 -1.06 -0.39 0.00 0.00 0.00 179.25 177.62 2kbx h VAL 14 N 0.00 1.33 -0.21 0.00 -1.51 -1.93 -2.99 116.25 110.94 2kbx h VAL 14 Ca 0.30 -2.39 -0.16 0.00 -1.23 0.00 0.00 66.70 63.22 2kbx h VAL 14 Cb 2.45 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 34.07 2kbx h VAL 14 CO -0.00 0.73 -0.52 0.00 -1.23 0.00 0.00 177.57 176.55 2kbx h ALA 15 N 0.51 0.70 -0.24 5.19 0.00 0.47 -1.87 119.26 124.02 2kbx h ALA 15 Ca -0.12 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.15 2kbx h ALA 15 Cb 1.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2kbx h ALA 15 CO 0.20 0.68 -0.39 -0.24 0.00 0.00 0.00 179.25 179.49 2kbx h VAL 16 N 0.46 1.31 -0.66 0.00 3.04 -1.51 -2.95 116.25 115.94 2kbx h VAL 16 Ca 0.02 -1.60 -0.06 0.00 -1.01 0.00 0.00 66.70 64.05 2kbx h VAL 16 Cb 1.06 1.74 -0.03 0.00 -2.01 0.00 0.00 31.29 32.05 2kbx h VAL 16 CO 0.10 0.50 0.16 0.08 -1.01 0.00 0.00 177.57 177.41 2kbx h ARG 17 N 0.41 1.04 -0.32 4.17 0.11 -1.52 -0.91 114.38 117.35 2kbx h ARG 17 Ca 0.02 -0.24 0.04 0.00 0.10 0.00 0.00 59.98 59.90 2kbx h ARG 17 Cb 0.99 -0.14 -0.06 0.00 1.11 0.00 0.00 29.97 31.86 2kbx h ARG 17 CO 0.09 0.92 -0.39 1.25 0.10 0.00 0.00 179.97 181.93 2kbx h LEU 18 N 0.99 -1.33 -0.80 0.08 5.85 -1.17 0.25 115.31 119.18 2kbx h LEU 18 Ca 0.21 0.18 -0.09 0.00 0.84 0.00 0.00 57.88 59.01 2kbx h LEU 18 Cb 0.34 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2kbx h LEU 18 CO 0.00 -0.27 -0.45 4.11 -0.34 0.00 0.00 178.44 181.49 2kbx h TRP 19 N -0.26 0.00 0.00 1.25 5.08 -1.43 -2.96 115.95 117.63 2kbx h TRP 19 Ca 0.06 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.98 2kbx h TRP 19 Cb 0.41 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.56 2kbx h TRP 19 CO -0.72 0.45 -0.21 1.25 -1.28 0.00 0.00 178.44 177.93 2kbx h LEU 20 N 0.00 0.00 0.00 0.11 5.85 0.19 -2.22 115.31 119.23 2kbx h LEU 20 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kbx h LEU 20 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2kbx h LEU 20 CO 0.06 0.21 -0.20 -0.90 -0.34 0.00 0.00 178.44 177.27 2kbx n ASP 21 N -3.58 0.26 -4.55 1.25 5.68 0.74 -4.89 116.55 111.45 2kbx n ASP 21 Ca -0.01 0.23 -0.54 0.00 -0.50 0.00 0.00 54.79 53.96 2kbx n ASP 21 Cb 0.35 -0.22 -0.06 0.00 -1.14 0.00 0.00 41.12 40.05 2kbx n ASP 21 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2kbx n ASN 22 N -1.58 0.86 0.00 -1.12 2.04 -0.84 -4.76 115.26 109.86 2kbx n ASN 22 Ca 0.06 1.14 0.06 0.00 -0.44 0.00 0.00 54.58 55.40 2kbx n ASN 22 Cb 0.35 -1.08 0.37 0.00 -2.53 0.00 0.00 39.78 36.89 2kbx n ASN 22 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2kbx n THR 23 N 1.91 0.00 -0.09 5.53 -2.24 -1.26 -2.81 114.28 115.31 2kbx n THR 23 Ca 0.19 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.86 2kbx n THR 23 Cb 0.16 -0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 2kbx n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kbx n GLU 24 N -0.78 0.95 -3.35 -0.78 4.71 -1.26 -5.05 120.64 115.09 2kbx n GLU 24 Ca 0.09 0.04 -0.16 0.00 -0.01 0.00 0.00 57.16 57.13 2kbx n GLU 24 Cb 0.04 -1.44 0.01 0.00 -1.01 0.00 0.00 31.44 29.04 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2kbx n ASN 25 N -2.83 -6.45 0.00 1.62 5.03 -1.13 -4.92 115.26 106.59 2kbx n ASN 25 Ca -0.32 -0.31 0.00 0.00 0.87 0.00 0.00 54.58 54.82 2kbx n ASN 25 Cb 1.01 -3.51 0.00 0.00 -1.02 0.00 0.00 39.78 36.26 2kbx n ASN 25 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kbx n ASP 26 N -1.62 1.27 0.01 6.41 8.00 -1.26 -4.70 116.55 124.68 2kbx n ASP 26 Ca -0.11 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.40 2kbx n ASP 26 Cb 0.59 0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.75 2kbx n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kbx n LEU 27 N -1.70 0.04 -1.32 0.64 4.32 -1.26 -2.11 117.00 115.61 2kbx n LEU 27 Ca 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 2kbx n LEU 27 Cb 0.15 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 2kbx n LEU 27 CO 0.00 -0.40 0.38 -3.20 -1.22 0.00 0.00 177.39 172.95 2kbx n ASN 28 N -1.43 2.12 -4.74 -1.43 2.85 -1.26 -4.81 115.26 106.56 2kbx n ASN 28 Ca -0.00 -1.35 -0.40 0.00 -0.11 0.00 0.00 54.58 52.71 2kbx n ASN 28 Cb 0.15 -0.41 -0.05 0.00 1.24 0.00 0.00 39.78 40.70 2kbx n ASN 28 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2kbx s GLN 29 N 0.68 4.79 0.00 1.20 -0.44 -0.90 -4.93 119.66 120.07 2kbx s GLN 29 Ca 0.00 1.50 0.00 0.00 -2.50 0.00 0.00 55.36 54.36 2kbx s GLN 29 Cb 0.00 -3.30 0.00 0.00 -1.64 0.00 0.00 33.01 28.07 2kbx s GLN 29 CO 0.00 0.40 0.00 0.41 0.50 0.00 0.00 175.29 176.60 2kbx n GLY 30 N 1.72 0.70 3.33 2.59 0.00 -1.26 -4.83 105.19 107.43 2kbx n GLY 30 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2kbx n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kbx s ASP 31 N -0.57 1.37 0.01 1.61 1.11 -0.43 -4.88 116.67 114.89 2kbx s ASP 31 Ca 0.00 -1.48 0.24 0.00 0.18 0.00 0.00 52.55 51.50 2kbx s ASP 31 Cb 0.00 0.29 1.03 0.00 1.07 0.00 0.00 42.92 45.30 2kbx s ASP 31 CO 0.00 -0.82 1.77 -0.67 1.18 0.00 0.00 175.17 176.64 2kbx n ASP 32 N -0.71 0.03 0.01 0.27 2.03 -1.26 -2.47 116.55 114.45 2kbx n ASP 32 Ca 0.00 0.50 0.11 0.00 0.52 0.00 0.00 54.79 55.93 2kbx n ASP 32 Cb 0.66 -0.51 0.01 0.00 -0.72 0.00 0.00 41.12 40.55 2kbx n ASP 32 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2kbx n HIS 33 N -1.53 0.09 0.00 -0.67 -0.00 -1.26 -4.95 115.22 106.89 2kbx n HIS 33 Ca 0.06 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2kbx n HIS 33 Cb 0.29 -0.23 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 2kbx n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kbx n GLY 34 N 1.44 1.90 3.62 1.57 0.00 -1.03 -4.35 105.19 108.35 2kbx n GLY 34 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2kbx n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kbx s PHE 35 N -2.00 3.28 0.36 1.61 0.08 -1.26 -4.77 117.98 115.28 2kbx s PHE 35 Ca 0.00 0.79 0.09 0.00 0.12 0.00 0.00 56.93 57.93 2kbx s PHE 35 Cb 0.00 -2.82 -0.06 0.00 -0.57 0.00 0.00 43.02 39.56 2kbx s PHE 35 CO 0.00 -0.32 -0.03 -1.54 -0.10 0.00 0.00 175.22 173.23 2kbx s SER 36 N 1.48 3.92 0.36 1.36 1.04 -1.26 -1.31 113.70 119.29 2kbx s SER 36 Ca 0.25 -1.18 0.09 0.00 0.48 0.00 0.00 55.95 55.59 2kbx s SER 36 Cb -0.15 -0.41 0.82 0.00 0.10 0.00 0.00 66.02 66.38 2kbx s SER 36 CO 0.09 -0.29 1.89 -0.65 0.98 0.00 0.00 173.24 175.26 2kbx h PRO 37 N 1.87 0.66 -0.48 4.02 0.10 -1.91 -0.79 132.00 135.47 2kbx h PRO 37 Ca -0.43 -0.04 0.09 0.00 0.10 0.00 0.00 66.00 65.72 2kbx h PRO 37 Cb 1.25 -0.15 -0.07 0.00 0.10 0.00 0.00 31.00 32.13 2kbx h PRO 37 CO 0.72 0.44 0.03 -0.07 0.10 0.00 0.00 178.00 179.22 2kbx h LEU 38 N 0.68 -0.13 0.49 2.35 3.38 -1.96 0.76 115.31 120.87 2kbx h LEU 38 Ca 0.41 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 2kbx h LEU 38 Cb 0.63 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2kbx h LEU 38 CO -0.17 -0.03 -0.33 0.45 0.09 0.00 0.00 178.44 178.44 2kbx h HIS 39 N 0.15 -0.90 -0.54 1.13 3.86 -1.54 1.65 115.15 118.97 2kbx h HIS 39 Ca 0.24 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.52 2kbx h HIS 39 Cb 0.35 0.33 -0.06 0.00 1.06 0.00 0.00 27.41 29.08 2kbx h HIS 39 CO -0.27 -0.48 0.19 -1.49 0.86 0.00 0.00 177.93 176.73 2kbx h TRP 40 N -0.78 0.33 0.04 2.45 6.55 -1.25 -2.42 115.95 120.87 2kbx h TRP 40 Ca -0.06 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.80 2kbx h TRP 40 Cb 0.64 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.87 2kbx h TRP 40 CO -0.07 0.10 -0.02 0.00 -1.05 0.00 0.00 178.44 177.39 2kbx h ALA 41 N 1.37 -0.05 -0.15 1.49 0.00 0.80 -2.78 119.26 119.93 2kbx h ALA 41 Ca 0.26 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2kbx h ALA 41 Cb 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kbx h ALA 41 CO -0.27 -0.35 0.12 0.00 0.00 0.00 0.00 179.25 178.75 2kbx h ARG 43 N 0.00 0.29 0.17 0.00 0.11 -1.42 -3.38 114.38 110.15 2kbx h ARG 43 Ca 0.07 -0.50 -0.01 0.00 0.10 0.00 0.00 59.98 59.64 2kbx h ARG 43 Cb 0.30 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2kbx h ARG 43 CO -0.00 1.17 -0.08 1.05 0.10 0.00 0.00 179.97 182.21 2kbx h GLU 44 N 0.08 -0.21 0.00 0.08 4.11 -1.27 -3.45 114.58 113.92 2kbx h GLU 44 Ca -0.31 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2kbx h GLU 44 Cb 2.05 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.35 2kbx h GLU 44 CO 0.15 0.20 0.00 0.41 0.07 0.00 0.00 179.01 179.84 2kbx n GLY 45 N 0.24 0.79 2.57 1.06 0.00 -0.92 -5.01 105.19 103.93 2kbx n GLY 45 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2kbx n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbx n ARG 46 N 0.00 1.35 -0.24 1.61 5.12 -1.24 -4.65 116.66 118.62 2kbx n ARG 46 Ca 0.00 -0.97 0.14 0.00 -1.93 0.00 0.00 57.85 55.09 2kbx n ARG 46 Cb 0.00 -2.14 0.27 0.00 -1.16 0.00 0.00 32.46 29.43 2kbx n ARG 46 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2kbx n SER 47 N 3.87 0.00 0.00 0.55 2.88 -1.26 -2.15 113.62 117.51 2kbx n SER 47 Ca 0.29 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 59.04 2kbx n SER 47 Cb 0.20 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbx n ALA 48 N -3.08 0.00 -0.31 -1.46 0.00 -1.26 -0.89 120.51 113.51 2kbx n ALA 48 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.78 2kbx n ALA 48 Cb 0.65 0.06 0.27 0.00 0.00 0.00 0.00 19.45 20.43 2kbx n ALA 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kbx n VAL 49 N -0.36 -0.37 0.12 0.00 0.24 -0.91 -0.52 118.33 116.52 2kbx n VAL 49 Ca 0.00 1.95 -0.13 0.00 -2.04 0.00 0.00 64.34 64.12 2kbx n VAL 49 Cb 0.00 -2.87 -0.06 0.00 -1.47 0.00 0.00 33.84 29.44 2kbx n VAL 49 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2kbx h VAL 50 N 0.00 0.30 0.02 3.34 2.07 -1.23 -1.23 116.25 119.52 2kbx h VAL 50 Ca 0.55 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.10 2kbx h VAL 50 Cb 1.15 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2kbx h VAL 50 CO -0.83 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 176.42 2kbx h GLU 51 N -0.56 -0.40 0.00 1.57 4.22 0.11 -0.56 114.58 118.96 2kbx h GLU 51 Ca 0.03 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.49 2kbx h GLU 51 Cb 0.59 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2kbx h GLU 51 CO -0.19 -0.27 0.00 0.00 -2.18 0.00 0.00 179.01 176.38 2kbx n MET 52 N -5.38 0.15 -0.08 1.92 0.00 -0.99 -2.76 117.12 109.99 2kbx n MET 52 Ca -0.05 0.51 -0.14 0.00 0.00 0.00 0.00 57.70 58.01 2kbx n MET 52 Cb 0.29 -1.86 -0.10 0.00 0.00 0.00 0.00 33.22 31.55 2kbx n MET 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2kbx h LEU 53 N 0.00 0.00 -1.91 3.17 7.12 0.12 -3.29 115.31 120.51 2kbx h LEU 53 Ca 0.00 -0.62 0.52 0.00 0.13 0.00 0.00 57.88 57.91 2kbx h LEU 53 Cb 0.18 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.23 2kbx h LEU 53 CO 0.00 1.10 1.25 0.40 -0.13 0.00 0.00 178.44 181.06 2kbx h ILE 54 N -1.00 0.09 0.05 4.05 1.08 -1.12 1.15 117.51 121.81 2kbx h ILE 54 Ca -0.13 -0.00 -0.24 0.00 -0.39 0.00 0.00 64.86 64.10 2kbx h ILE 54 Cb 0.95 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 2kbx h ILE 54 CO -0.08 0.00 -1.15 0.24 -0.69 0.00 0.00 178.15 176.47 2kbx h MET 55 N 0.01 0.10 -0.92 2.37 2.86 -1.67 -3.24 114.93 114.44 2kbx h MET 55 Ca 0.86 -0.17 0.20 0.00 -2.06 0.00 0.00 59.70 58.54 2kbx h MET 55 Cb 3.37 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 35.02 2kbx h MET 55 CO -0.07 1.04 0.60 -0.09 1.06 0.00 0.00 176.91 179.45 2kbx h ARG 56 N 0.03 0.45 0.00 1.72 2.43 0.13 -3.43 114.38 115.70 2kbx h ARG 56 Ca -0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2kbx h ARG 56 Cb 1.86 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 2kbx h ARG 56 CO 0.15 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.32 2kbx n GLY 57 N -1.49 -0.70 3.57 2.80 0.00 -1.20 -5.12 105.19 103.04 2kbx n GLY 57 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2kbx n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx n ALA 58 N 0.00 -0.33 -2.48 4.61 0.00 -1.25 -4.93 120.51 116.13 2kbx n ALA 58 Ca 0.00 0.32 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 2kbx n ALA 58 Cb 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 17.40 2kbx n ALA 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kbx s ARG 59 N -1.68 3.82 0.00 0.00 3.03 -1.26 -4.88 118.95 117.99 2kbx s ARG 59 Ca 0.61 0.27 0.27 0.00 2.03 0.00 0.00 55.73 58.90 2kbx s ARG 59 Cb -0.65 -2.86 0.81 0.00 -1.03 0.00 0.00 34.95 31.21 2kbx s ARG 59 CO 0.59 0.46 1.60 -0.89 -1.13 0.00 0.00 175.30 175.92 2kbx n ILE 60 N 0.49 0.00 0.93 4.99 2.08 -1.26 -3.82 119.36 122.77 2kbx n ILE 60 Ca -0.04 -0.22 0.10 0.00 0.56 0.00 0.00 62.75 63.15 2kbx n ILE 60 Cb 0.52 0.58 -0.05 0.00 -0.75 0.00 0.00 39.64 39.94 2kbx n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2kbx n ASN 61 N -0.06 0.86 -4.67 4.38 5.03 -1.26 -4.74 115.26 114.79 2kbx n ASN 61 Ca 0.15 -0.80 -0.31 0.00 0.87 0.00 0.00 54.58 54.50 2kbx n ASN 61 Cb 0.38 0.91 0.17 0.00 -1.02 0.00 0.00 39.78 40.22 2kbx n ASN 61 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kbx s VAL 62 N -3.03 2.11 -0.05 2.41 0.11 -1.25 -5.03 120.40 115.66 2kbx s VAL 62 Ca 0.08 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.99 2kbx s VAL 62 Cb 0.16 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.97 2kbx s VAL 62 CO 0.84 -0.05 0.39 0.00 -3.33 0.00 0.00 175.10 172.95 2kbx s MET 63 N -4.66 0.68 1.07 1.54 0.23 -1.26 -4.47 119.30 112.43 2kbx s MET 63 Ca 0.67 0.06 -0.16 0.00 -1.03 0.00 0.00 55.69 55.23 2kbx s MET 63 Cb -0.23 0.31 0.22 0.00 -1.53 0.00 0.00 34.83 33.61 2kbx s MET 63 CO 0.58 -0.17 1.14 0.54 -2.03 0.00 0.00 175.02 175.08 2kbx s ASN 64 N -0.93 2.11 0.45 -1.18 4.22 -1.02 -4.79 114.94 113.80 2kbx s ASN 64 Ca -0.10 0.77 0.17 0.00 -2.14 0.00 0.00 52.86 51.57 2kbx s ASN 64 Cb -0.04 -1.16 1.06 0.00 1.28 0.00 0.00 41.25 42.39 2kbx s ASN 64 CO 0.04 -3.41 1.98 0.08 -2.04 0.00 0.00 177.10 173.75 2kbx h ARG 65 N -2.09 0.00 -1.10 3.55 -0.00 -1.86 -2.08 114.38 110.80 2kbx h ARG 65 Ca -0.48 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 58.97 2kbx h ARG 65 Cb 1.30 0.00 -0.25 0.00 -0.00 0.00 0.00 29.97 31.02 2kbx h ARG 65 CO 0.46 0.21 0.68 0.41 -0.00 0.00 0.00 179.97 181.72 2kbx n GLY 66 N -0.81 4.91 3.01 0.08 0.00 -1.26 -4.94 105.19 106.17 2kbx n GLY 66 Ca -0.02 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.41 2kbx n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kbx n ASP 67 N -0.68 -7.16 -3.22 1.61 8.00 -0.78 -5.01 116.55 109.31 2kbx n ASP 67 Ca 0.52 0.80 -0.02 0.00 0.71 0.00 0.00 54.79 56.81 2kbx n ASP 67 Cb 0.96 -3.17 -0.03 0.00 -0.02 0.00 0.00 41.12 38.86 2kbx n ASP 67 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kbx s ASP 68 N -1.31 -0.73 0.25 -2.24 1.01 -1.26 -4.84 116.67 107.56 2kbx s ASP 68 Ca 0.02 -0.04 -0.10 0.00 0.71 0.00 0.00 52.55 53.14 2kbx s ASP 68 Cb -0.00 1.63 -0.07 0.00 1.01 0.00 0.00 42.92 45.48 2kbx s ASP 68 CO 0.36 -0.32 0.59 0.42 0.21 0.00 0.00 175.17 176.43 2kbx s THR 69 N 2.70 4.89 0.31 -1.27 -4.23 -1.26 -2.44 115.64 114.34 2kbx s THR 69 Ca 0.10 0.54 0.08 0.00 -1.18 0.00 0.00 61.69 61.23 2kbx s THR 69 Cb -0.11 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.41 2kbx s THR 69 CO -0.27 -0.12 1.75 -0.65 -0.54 0.00 0.00 174.62 174.78 2kbx h PRO 70 N 2.41 0.63 -0.22 3.99 0.10 -1.85 -1.13 132.00 135.94 2kbx h PRO 70 Ca -0.47 -0.04 0.06 0.00 0.10 0.00 0.00 66.00 65.65 2kbx h PRO 70 Cb 1.17 -0.14 -0.06 0.00 0.10 0.00 0.00 31.00 32.06 2kbx h PRO 70 CO 0.68 0.42 -0.21 1.25 0.10 0.00 0.00 178.00 180.24 2kbx h LEU 71 N 0.65 -0.67 0.24 2.35 6.46 -1.93 1.56 115.31 123.98 2kbx h LEU 71 Ca 0.62 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.50 2kbx h LEU 71 Cb 1.09 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 41.33 2kbx h LEU 71 CO -0.44 -0.25 -0.23 0.45 -0.62 0.00 0.00 178.44 177.34 2kbx h HIS 72 N -0.22 -0.65 -0.91 1.25 3.86 -1.60 0.12 115.15 117.01 2kbx h HIS 72 Ca 0.13 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.58 2kbx h HIS 72 Cb 0.42 0.25 -0.13 0.00 1.06 0.00 0.00 27.41 29.01 2kbx h HIS 72 CO -0.36 -0.31 0.38 -0.07 0.86 0.00 0.00 177.93 178.43 2kbx h LEU 73 N -0.47 0.27 0.00 2.43 3.38 -1.07 0.36 115.31 120.21 2kbx h LEU 73 Ca -0.03 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kbx h LEU 73 Cb 0.41 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kbx h LEU 73 CO -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.45 2kbx n ALA 74 N -2.52 -0.40 0.16 1.53 0.00 0.53 -1.64 120.51 118.17 2kbx n ALA 74 Ca 0.23 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.85 2kbx n ALA 74 Cb 0.70 0.05 0.65 0.00 0.00 0.00 0.00 19.45 20.85 2kbx n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kbx h ALA 75 N -1.91 1.94 -0.03 0.00 0.00 -0.33 -0.98 119.26 117.96 2kbx h ALA 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kbx h ALA 75 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kbx h ALA 75 CO 0.00 -0.73 0.02 1.03 0.00 0.00 0.00 179.25 179.57 2kbx h SER 76 N 0.00 0.04 -0.02 0.00 0.87 0.65 -3.05 113.55 112.05 2kbx h SER 76 Ca 0.15 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2kbx h SER 76 Cb 1.28 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2kbx h SER 76 CO -0.00 0.04 0.01 1.12 -0.53 0.00 0.00 176.83 177.47 2kbx h HIS 77 N 0.03 0.02 0.00 2.24 2.07 -0.95 -3.47 115.15 115.08 2kbx h HIS 77 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2kbx h HIS 77 Cb 0.01 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 29.99 2kbx h HIS 77 CO -0.07 0.04 0.00 0.41 -3.07 0.00 0.00 177.93 175.24 2kbx n GLY 78 N -1.03 1.57 3.56 6.13 0.00 -1.15 -5.05 105.19 109.22 2kbx n GLY 78 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2kbx n GLY 78 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kbx s HIS 79 N -2.02 1.40 0.50 1.61 5.04 -1.26 -4.77 115.29 115.80 2kbx s HIS 79 Ca 0.00 1.29 0.34 0.00 -1.54 0.00 0.00 55.06 55.15 2kbx s HIS 79 Cb 0.00 -3.76 1.47 0.00 0.04 0.00 0.00 32.58 30.33 2kbx s HIS 79 CO 0.00 -2.01 1.76 0.00 -2.34 0.00 0.00 174.74 172.15 2kbx h ARG 80 N 14.53 0.09 0.26 2.88 -0.00 -1.96 -1.80 114.38 128.38 2kbx h ARG 80 Ca -0.09 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.39 2kbx h ARG 80 Cb 1.10 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 31.01 2kbx h ARG 80 CO 1.14 0.06 -0.52 -0.44 0.00 0.00 0.00 179.97 180.20 2kbx h ASP 81 N 0.09 -1.53 -0.94 7.04 5.19 -2.01 -1.00 116.42 123.26 2kbx h ASP 81 Ca 0.64 0.15 0.18 0.00 -0.62 0.00 0.00 57.03 57.37 2kbx h ASP 81 Cb 2.30 0.54 -0.08 0.00 0.18 0.00 0.00 39.33 42.27 2kbx h ASP 81 CO -0.11 -0.60 0.60 0.40 -3.12 0.00 0.00 179.24 176.41 2kbx h ILE 82 N -0.86 0.75 0.29 0.35 2.04 -1.73 -1.61 117.51 116.75 2kbx h ILE 82 Ca -0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2kbx h ILE 82 Cb 0.81 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2kbx h ILE 82 CO -0.21 0.12 -0.48 0.58 0.00 0.00 0.00 178.15 178.16 2kbx h VAL 83 N 0.65 0.06 -0.96 1.67 2.07 -1.19 -0.21 116.25 118.33 2kbx h VAL 83 Ca 0.50 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.28 2kbx h VAL 83 Cb 0.90 0.06 -0.13 0.00 -1.52 0.00 0.00 31.29 30.60 2kbx h VAL 83 CO -0.25 0.00 0.50 0.06 0.02 0.00 0.00 177.57 177.90 2kbx h GLN 84 N -0.84 0.40 0.92 1.57 3.07 -0.79 1.43 115.11 120.88 2kbx h GLN 84 Ca -0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.65 2kbx h GLN 84 Cb 0.78 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.26 2kbx h GLN 84 CO -0.17 0.27 -0.49 -0.22 0.09 0.00 0.00 178.83 178.31 2kbx h LYS 85 N 0.41 -1.24 0.00 0.06 1.63 -0.76 0.27 116.57 116.94 2kbx h LYS 85 Ca 0.64 0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 60.47 2kbx h LYS 85 Cb 1.32 0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 33.22 2kbx h LYS 85 CO -0.55 -0.83 -0.29 -0.07 -3.45 0.00 0.00 179.45 174.26 2kbx h LEU 86 N -1.29 0.00 -0.00 5.20 -0.00 0.05 -2.88 115.31 116.39 2kbx h LEU 86 Ca -0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.60 2kbx h LEU 86 Cb 1.01 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 2kbx h LEU 86 CO 0.18 0.29 -0.75 0.25 -0.00 0.00 0.00 178.44 178.40 2kbx h LEU 87 N 0.00 0.00 0.01 1.67 6.46 0.20 -3.26 115.31 120.39 2kbx h LEU 87 Ca -0.00 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.48 2kbx h LEU 87 Cb 1.00 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 2kbx h LEU 87 CO 0.04 0.75 -1.54 -0.61 -0.62 0.00 0.00 178.44 176.46 2kbx h GLN 88 N 0.00 0.03 -0.59 1.25 4.15 -0.43 -1.85 115.11 117.67 2kbx h GLN 88 Ca -0.01 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 2kbx h GLN 88 Cb 1.58 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 2kbx h GLN 88 CO 0.10 0.68 0.13 1.88 -1.93 0.00 0.00 178.83 179.68 2kbx h TYR 89 N 0.01 1.01 0.00 3.99 -1.99 -1.61 -3.40 116.97 114.98 2kbx h TYR 89 Ca -0.22 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.38 2kbx h TYR 89 Cb 1.96 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 40.41 2kbx h TYR 89 CO 0.01 0.86 0.00 0.36 -0.00 0.00 0.00 178.16 179.39 2kbx n LYS 90 N -4.35 0.00 -3.96 4.88 2.85 -1.24 -5.03 118.16 111.31 2kbx n LYS 90 Ca 0.03 -0.06 -0.34 0.00 -1.05 0.00 0.00 58.31 56.89 2kbx n LYS 90 Cb 0.25 -0.10 -0.00 0.00 -0.65 0.00 0.00 35.03 34.53 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kbx n ALA 91 N 0.00 -2.34 0.99 0.58 0.00 -0.69 -4.74 120.51 114.31 2kbx n ALA 91 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2kbx n ALA 91 Cb 0.41 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.35 2kbx n ALA 91 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kbx n ASP 92 N -2.65 2.60 0.03 0.00 5.75 -1.26 -3.55 116.55 117.48 2kbx n ASP 92 Ca -0.19 -1.98 -0.18 0.00 -0.01 0.00 0.00 54.79 52.43 2kbx n ASP 92 Cb 0.63 -0.49 -0.08 0.00 -1.03 0.00 0.00 41.12 40.14 2kbx n ASP 92 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2kbx h ILE 93 N 0.01 1.30 0.00 2.12 6.09 -1.90 -2.84 117.51 122.28 2kbx h ILE 93 Ca 0.00 -2.20 0.00 0.00 -1.37 0.00 0.00 64.86 61.29 2kbx h ILE 93 Cb 0.90 2.28 0.00 0.00 0.47 0.00 0.00 36.82 40.47 2kbx h ILE 93 CO 0.00 0.68 0.00 0.59 -3.07 0.00 0.00 178.15 176.35 2kbx n ASN 94 N -3.86 0.00 -4.30 2.19 3.02 -1.23 -4.45 115.26 106.63 2kbx n ASN 94 Ca -0.09 -0.10 -0.46 0.00 -0.03 0.00 0.00 54.58 53.90 2kbx n ASN 94 Cb 0.84 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 2kbx n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx s ALA 95 N -2.58 3.74 1.06 5.41 0.00 -1.07 -5.06 121.76 123.26 2kbx s ALA 95 Ca 0.26 -2.77 -0.15 0.00 0.00 0.00 0.00 51.96 49.30 2kbx s ALA 95 Cb 0.19 -3.28 0.21 0.00 0.00 0.00 0.00 23.12 20.24 2kbx s ALA 95 CO 0.43 -2.08 1.07 1.33 0.00 0.00 0.00 175.76 176.51 2kbx n VAL 96 N 4.82 0.00 0.00 0.00 0.24 -1.26 -4.96 118.33 117.17 2kbx n VAL 96 Ca -0.05 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 2kbx n VAL 96 Cb 0.42 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 2kbx n VAL 96 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2kbx n ASN 97 N -3.97 0.00 -0.00 -1.34 2.04 -1.26 -4.82 115.26 105.92 2kbx n ASN 97 Ca 0.14 0.00 0.06 0.00 -0.44 0.00 0.00 54.58 54.34 2kbx n ASN 97 Cb 0.49 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.67 2kbx n ASN 97 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 2kbx n GLU 98 N 0.00 2.47 -0.21 -3.83 0.00 -1.26 -4.37 120.64 113.44 2kbx n GLU 98 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 57.16 57.20 2kbx n GLU 98 Cb 0.00 -1.11 0.18 0.00 0.00 0.00 0.00 31.44 30.51 2kbx n GLU 98 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2kbx n HIS 99 N -1.43 0.54 -1.89 -1.84 -0.00 -1.26 -4.95 115.22 104.40 2kbx n HIS 99 Ca 0.01 -0.48 0.00 0.00 0.46 0.00 0.00 57.72 57.71 2kbx n HIS 99 Cb 0.21 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kbx n GLY 100 N 0.75 0.49 3.52 1.57 0.00 -1.26 -3.78 105.19 106.47 2kbx n GLY 100 Ca 0.14 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2kbx n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kbx s ASN 101 N -2.85 6.41 0.13 1.61 -0.87 -1.26 -4.65 114.94 113.45 2kbx s ASN 101 Ca 0.00 -1.30 -0.12 0.00 -1.57 0.00 0.00 52.86 49.87 2kbx s ASN 101 Cb 0.00 -2.50 -0.06 0.00 -0.02 0.00 0.00 41.25 38.66 2kbx s ASN 101 CO 0.00 -1.47 0.49 -0.69 -2.57 0.00 0.00 177.10 172.86 2kbx s VAL 102 N 4.47 4.96 0.51 1.60 1.01 -1.26 -3.98 120.40 127.71 2kbx s VAL 102 Ca 0.37 0.63 0.25 0.00 0.00 0.00 0.00 61.98 63.22 2kbx s VAL 102 Cb -0.05 -3.69 0.41 0.00 0.00 0.00 0.00 36.38 33.05 2kbx s VAL 102 CO -0.01 0.23 1.95 1.55 0.00 0.00 0.00 175.10 178.81 2kbx h PRO 103 N 3.50 0.08 -0.26 2.72 0.13 -1.95 -1.03 132.00 135.20 2kbx h PRO 103 Ca -0.49 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2kbx h PRO 103 Cb 1.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kbx h PRO 103 CO 0.66 0.05 0.01 1.25 -0.23 0.00 0.00 178.00 179.74 2kbx h LEU 104 N 0.08 0.44 -0.75 1.56 5.85 -1.96 0.41 115.31 120.95 2kbx h LEU 104 Ca 0.32 -0.30 0.16 0.00 0.84 0.00 0.00 57.88 58.90 2kbx h LEU 104 Cb 1.16 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.96 2kbx h LEU 104 CO -0.03 0.63 0.18 0.45 -0.34 0.00 0.00 178.44 179.34 2kbx h HIS 105 N 0.23 0.28 0.19 1.25 3.86 -1.56 1.25 115.15 120.67 2kbx h HIS 105 Ca 0.07 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2kbx h HIS 105 Cb 0.40 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2kbx h HIS 105 CO 0.03 -0.09 -0.09 1.88 0.86 0.00 0.00 177.93 180.52 2kbx h TYR 106 N 0.27 -0.24 -0.69 2.45 0.05 -1.42 -0.07 116.97 117.33 2kbx h TYR 106 Ca 0.42 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 59.37 2kbx h TYR 106 Cb 0.73 0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.51 2kbx h TYR 106 CO -0.26 0.14 0.48 0.00 -1.05 0.00 0.00 178.16 177.47 2kbx h ALA 107 N -0.51 2.40 0.21 3.88 0.00 0.50 -1.17 119.26 124.58 2kbx h ALA 107 Ca -0.03 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 2kbx h ALA 107 Cb 0.48 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.30 2kbx h ALA 107 CO 0.04 -0.60 -1.49 0.00 0.00 0.00 0.00 179.25 177.21 2kbx h PHE 109 N 0.03 0.00 0.00 0.00 3.57 0.26 -2.77 116.94 118.02 2kbx h PHE 109 Ca -0.28 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 60.83 2kbx h PHE 109 Cb 2.05 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.73 2kbx h PHE 109 CO 0.13 0.00 -2.24 0.91 -2.23 0.00 0.00 178.31 174.88 2kbx n TRP 110 N -3.24 0.10 0.00 0.41 8.01 -0.99 -5.07 117.44 116.67 2kbx n TRP 110 Ca 0.00 0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 2kbx n TRP 110 Cb 0.38 -0.95 0.00 0.00 -2.01 0.00 0.00 31.31 28.73 2kbx n TRP 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2kbx n GLY 111 N 1.29 0.38 2.66 6.99 0.00 -0.85 -5.11 105.19 110.55 2kbx n GLY 111 Ca -0.48 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 2kbx n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kbx s GLN 112 N 0.00 1.50 0.08 1.61 -0.21 -0.92 -5.00 119.66 116.73 2kbx s GLN 112 Ca 0.00 -2.43 -0.27 0.00 0.02 0.00 0.00 55.36 52.68 2kbx s GLN 112 Cb 0.00 -2.34 -0.16 0.00 1.00 0.00 0.00 33.01 31.51 2kbx s GLN 112 CO 0.00 -1.27 1.69 0.22 -2.12 0.00 0.00 175.29 173.80 2kbx h ASP 113 N 5.98 -0.35 -0.11 5.90 3.58 -1.99 -1.81 116.42 127.62 2kbx h ASP 113 Ca 0.13 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.62 2kbx h ASP 113 Cb 0.87 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.97 2kbx h ASP 113 CO 0.51 -0.24 -0.40 0.06 -2.88 0.00 0.00 179.24 176.29 2kbx h GLN 114 N -0.39 -0.40 -0.62 0.28 3.07 -2.00 -1.20 115.11 113.84 2kbx h GLN 114 Ca -0.04 0.03 0.03 0.00 0.09 0.00 0.00 58.65 58.76 2kbx h GLN 114 Cb 0.31 0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.93 2kbx h GLN 114 CO 0.05 -0.27 0.41 -0.39 0.09 0.00 0.00 178.83 178.73 2kbx h VAL 115 N -0.42 1.09 -0.89 1.86 -1.51 -1.95 -1.07 116.25 113.36 2kbx h VAL 115 Ca 0.02 -0.25 0.12 0.00 -1.23 0.00 0.00 66.70 65.36 2kbx h VAL 115 Cb 0.49 0.28 -0.07 0.00 -2.13 0.00 0.00 31.29 29.87 2kbx h VAL 115 CO -0.32 0.13 0.57 0.00 -1.23 0.00 0.00 177.57 176.72 2kbx h ALA 116 N 1.64 1.75 -0.01 5.19 0.00 -0.34 -0.68 119.26 126.81 2kbx h ALA 116 Ca 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kbx h ALA 116 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kbx h ALA 116 CO -0.07 0.04 -0.00 1.49 0.00 0.00 0.00 179.25 180.71 2kbx h GLU 117 N 0.77 0.01 -0.85 0.00 4.81 -0.40 -2.77 114.58 116.15 2kbx h GLU 117 Ca 0.43 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.75 2kbx h GLU 117 Cb 0.58 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.89 2kbx h GLU 117 CO -0.19 0.36 0.50 0.22 -0.73 0.00 0.00 179.01 179.16 2kbx h ASP 118 N -0.33 0.72 0.91 1.04 1.82 -1.00 -0.18 116.42 119.39 2kbx h ASP 118 Ca 0.00 0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 2kbx h ASP 118 Cb 0.35 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.28 2kbx h ASP 118 CO 0.00 0.40 -0.44 -0.07 -1.61 0.00 0.00 179.24 177.53 2kbx h LEU 119 N 0.83 -1.03 -1.08 2.28 3.38 -1.08 -1.17 115.31 117.44 2kbx h LEU 119 Ca 0.41 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2kbx h LEU 119 Cb 0.38 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2kbx h LEU 119 CO -0.25 -0.71 0.00 0.55 0.09 0.00 0.00 178.44 178.12 2kbx n VAL 120 N -5.60 1.18 1.57 1.22 3.14 -1.06 0.11 118.33 118.89 2kbx n VAL 120 Ca -0.16 0.63 0.14 0.00 -2.96 0.00 0.00 64.34 62.00 2kbx n VAL 120 Cb 0.48 -1.62 0.62 0.00 -1.06 0.00 0.00 33.84 32.26 2kbx n VAL 120 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kbx n ALA 121 N -1.72 2.68 -0.01 1.55 0.00 -0.10 -3.33 120.51 119.57 2kbx n ALA 121 Ca -0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 52.99 2kbx n ALA 121 Cb 0.05 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 2kbx n ALA 121 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kbx h ASN 122 N 1.45 0.00 0.00 0.00 4.21 0.14 -3.48 115.58 117.91 2kbx h ASN 122 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2kbx h ASN 122 Cb 0.37 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 2kbx h ASN 122 CO 0.00 1.01 0.00 0.61 -1.29 0.00 0.00 177.43 177.76 2kbx n GLY 123 N 1.54 0.05 0.25 2.83 0.00 -1.21 -5.00 105.19 103.64 2kbx n GLY 123 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2kbx n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx h ALA 124 N 0.00 1.09 -2.63 4.61 0.00 -1.75 -3.49 119.26 117.08 2kbx h ALA 124 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kbx h ALA 124 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kbx h ALA 124 CO 0.00 0.19 -0.65 -0.11 0.00 0.00 0.00 179.25 178.68 2kbx n LEU 125 N -3.39 -1.86 -0.12 0.00 -0.00 -1.26 -4.64 117.00 105.73 2kbx n LEU 125 Ca -0.00 2.17 0.12 0.00 -0.00 0.00 0.00 56.01 58.29 2kbx n LEU 125 Cb 0.34 -1.84 0.15 0.00 -0.00 0.00 0.00 43.42 42.08 2kbx n LEU 125 CO 0.31 0.29 0.35 0.55 -0.00 0.00 0.00 177.39 178.89 2kbx n VAL 126 N -0.97 0.00 -1.16 1.96 3.14 -1.26 -4.04 118.33 116.00 2kbx n VAL 126 Ca 0.00 -0.06 -0.21 0.00 -2.96 0.00 0.00 64.34 61.11 2kbx n VAL 126 Cb 0.01 0.60 0.19 0.00 -1.06 0.00 0.00 33.84 33.59 2kbx n VAL 126 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2kbx n SER 127 N -1.12 3.88 -0.01 6.55 3.41 -1.26 -4.55 113.62 120.52 2kbx n SER 127 Ca 0.07 -3.53 -0.12 0.00 -0.26 0.00 0.00 58.87 55.03 2kbx n SER 127 Cb 0.35 -0.82 -0.08 0.00 -0.26 0.00 0.00 64.21 63.40 2kbx n SER 127 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2kbx h ILE 128 N 1.20 1.25 -1.56 -1.33 3.07 -1.82 -3.49 117.51 114.82 2kbx h ILE 128 Ca 0.58 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2kbx h ILE 128 Cb 2.77 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 41.01 2kbx h ILE 128 CO 1.04 0.21 0.00 0.00 -1.05 0.00 0.00 178.15 178.35 2kbx n ASN 130 N 0.00 -3.09 0.27 0.00 2.85 -1.25 -4.46 115.26 109.58 2kbx n ASN 130 Ca 0.00 -0.49 0.17 0.00 -0.11 0.00 0.00 54.58 54.16 2kbx n ASN 130 Cb 0.00 -1.00 0.85 0.00 1.24 0.00 0.00 39.78 40.88 2kbx n ASN 130 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2kbx h LYS 131 N -2.97 0.00 0.00 1.20 3.64 -1.83 0.65 116.57 117.27 2kbx h LYS 131 Ca -0.44 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2kbx h LYS 131 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2kbx h LYS 131 CO 0.30 0.00 -0.24 0.98 -2.27 0.00 0.00 179.45 178.22 2kbx n TYR 132 N -3.20 0.00 -1.35 1.91 9.36 -1.26 -4.93 117.16 117.70 2kbx n TYR 132 Ca 0.00 -1.16 -0.12 0.00 3.32 0.00 0.00 57.90 59.94 2kbx n TYR 132 Cb 0.39 -0.19 -0.05 0.00 -0.63 0.00 0.00 39.34 38.86 2kbx n TYR 132 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2kbx n GLY 133 N -1.22 1.19 3.55 2.98 0.00 0.23 -4.88 105.19 107.03 2kbx n GLY 133 Ca 0.17 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2kbx n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbx s GLU 134 N -2.91 2.87 0.48 1.61 0.41 -1.26 -4.40 118.70 115.50 2kbx s GLU 134 Ca 0.00 0.07 0.04 0.00 -0.41 0.00 0.00 54.97 54.67 2kbx s GLU 134 Cb 0.00 -4.51 -0.03 0.00 -1.78 0.00 0.00 34.13 27.81 2kbx s GLU 134 CO 0.00 -2.60 0.07 -1.64 -0.49 0.00 0.00 175.26 170.59 2kbx s MET 135 N 6.46 2.15 0.62 1.61 -1.94 -1.26 -3.86 119.30 123.08 2kbx s MET 135 Ca 0.56 -2.24 0.33 0.00 -1.71 0.00 0.00 55.69 52.63 2kbx s MET 135 Cb -0.09 -1.66 1.87 0.00 2.01 0.00 0.00 34.83 36.96 2kbx s MET 135 CO 0.13 -0.30 2.15 -1.35 -0.01 0.00 0.00 175.02 175.64 2kbx h PRO 136 N 1.38 0.00 -0.26 2.03 0.11 -1.92 -2.88 132.00 130.46 2kbx h PRO 136 Ca -0.43 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.74 2kbx h PRO 136 Cb 1.29 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 2kbx h PRO 136 CO 0.73 0.00 -0.21 -0.39 -0.21 0.00 0.00 178.00 177.93 2kbx h VAL 137 N 0.00 0.45 0.17 3.15 -1.51 -1.94 2.19 116.25 118.76 2kbx h VAL 137 Ca 0.04 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.19 2kbx h VAL 137 Cb 0.36 0.45 0.01 0.00 -2.13 0.00 0.00 31.29 29.97 2kbx h VAL 137 CO -0.00 0.00 -1.54 -0.78 -1.23 0.00 0.00 177.57 174.02 2kbx h ASP 138 N -0.20 0.56 0.70 4.19 3.58 -1.88 -2.14 116.42 121.23 2kbx h ASP 138 Ca 0.14 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 56.88 2kbx h ASP 138 Cb 0.42 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kbx h ASP 138 CO -0.38 1.58 0.00 0.11 -2.88 0.00 0.00 179.24 177.68 2kbx h LYS 139 N 0.10 0.00 0.00 0.28 1.57 -1.29 -1.11 116.57 116.12 2kbx h LYS 139 Ca -0.26 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.34 2kbx h LYS 139 Cb 2.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.34 2kbx h LYS 139 CO 0.20 0.00 -1.67 0.00 -0.57 0.00 0.00 179.45 177.41 2kbx n ALA 140 N -1.99 1.95 1.22 3.86 0.00 0.74 -4.00 120.51 122.29 2kbx n ALA 140 Ca 0.00 -0.69 0.13 0.00 0.00 0.00 0.00 53.44 52.88 2kbx n ALA 140 Cb 0.23 -0.79 0.37 0.00 0.00 0.00 0.00 19.45 19.26 2kbx n ALA 140 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kbx n LYS 141 N -2.79 0.73 -0.11 0.00 2.85 -0.77 -1.69 118.16 116.38 2kbx n LYS 141 Ca -0.13 -0.42 -0.21 0.00 -1.05 0.00 0.00 58.31 56.50 2kbx n LYS 141 Cb 0.87 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 33.66 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kbx n ALA 142 N -0.77 0.82 0.03 0.58 0.00 -0.49 -4.47 120.51 116.20 2kbx n ALA 142 Ca 0.11 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.85 2kbx n ALA 142 Cb 0.34 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2kbx n ALA 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kbx h PRO 143 N -1.00 -0.09 0.00 0.00 0.11 -1.75 -3.46 132.00 125.81 2kbx h PRO 143 Ca -0.36 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2kbx h PRO 143 Cb 1.25 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kbx h PRO 143 CO -0.22 -0.06 0.00 -0.11 -0.21 0.00 0.00 178.00 177.40 2kbx n LEU 144 N -5.19 0.00 0.00 2.35 0.00 -1.25 -5.08 117.00 107.83 2kbx n LEU 144 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.96 2kbx n LEU 144 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.54 2kbx n LEU 144 CO 0.28 0.00 0.36 0.54 0.00 0.00 0.00 177.39 178.57 2kbx n ARG 145 N 0.00 0.00 0.00 1.96 3.00 -1.00 -4.70 116.66 115.92 2kbx n ARG 145 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.85 58.12 2kbx n ARG 145 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.24 2kbx n ARG 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2kbx n GLU 146 N -1.25 0.00 0.10 5.56 1.02 -0.68 -4.49 120.64 120.90 2kbx n GLU 146 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 2kbx n GLU 146 Cb 0.00 -2.88 -0.15 0.00 -0.02 0.00 0.00 31.44 28.39 2kbx n GLU 146 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2kbx h LEU 147 N 0.00 0.71 -1.30 -4.62 5.85 -1.87 -2.90 115.31 111.17 2kbx h LEU 147 Ca 0.00 -0.93 -0.06 0.00 0.84 0.00 0.00 57.88 57.73 2kbx h LEU 147 Cb 0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2kbx h LEU 147 CO 0.00 1.75 -0.28 0.25 -0.34 0.00 0.00 178.44 179.81 2kbx h LEU 148 N 0.10 0.00 0.25 2.25 5.85 -1.92 -2.74 115.31 119.10 2kbx h LEU 148 Ca -0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2kbx h LEU 148 Cb 2.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.14 2kbx h LEU 148 CO 0.22 0.28 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.39 2kbx h ARG 149 N 0.00 -0.33 -0.42 1.25 2.43 -1.86 0.48 114.38 115.93 2kbx h ARG 149 Ca -0.00 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2kbx h ARG 149 Cb 0.67 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 2kbx h ARG 149 CO 0.04 -0.06 0.04 0.93 -1.51 0.00 0.00 179.97 179.41 2kbx h GLU 150 N -0.58 0.15 0.05 0.20 5.08 -1.33 1.24 114.58 119.39 2kbx h GLU 150 Ca -0.03 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2kbx h GLU 150 Cb 0.42 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kbx h GLU 150 CO 0.06 0.10 -0.07 0.00 -1.00 0.00 0.00 179.01 178.09 2kbx h ARG 151 N 0.16 -0.15 0.36 2.33 2.47 -1.32 0.70 114.38 118.92 2kbx h ARG 151 Ca 0.21 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2kbx h ARG 151 Cb 0.28 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 2kbx h ARG 151 CO -0.31 -0.10 -0.37 0.00 0.56 0.00 0.00 179.97 179.75 2kbx h ALA 152 N 0.79 -0.79 -0.05 0.04 0.00 0.13 0.15 119.26 119.52 2kbx h ALA 152 Ca 0.01 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kbx h ALA 152 Cb 0.16 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kbx h ALA 152 CO -0.04 -0.98 0.06 0.93 0.00 0.00 0.00 179.25 179.21 2kbx h GLU 153 N -0.76 0.00 -0.01 0.00 5.08 0.18 0.34 114.58 119.42 2kbx h GLU 153 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kbx h GLU 153 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2kbx h GLU 153 CO -0.07 0.00 -0.10 1.17 -1.00 0.00 0.00 179.01 179.02 2kbx n LYS 154 N -3.85 1.22 0.16 2.33 4.81 0.24 -3.53 118.16 119.54 2kbx n LYS 154 Ca -0.02 -0.64 -0.14 0.00 -0.87 0.00 0.00 58.31 56.65 2kbx n LYS 154 Cb 0.15 -1.49 -0.08 0.00 0.02 0.00 0.00 35.03 33.63 2kbx n LYS 154 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2kbx h MET 155 N 1.56 -0.38 0.00 1.64 4.05 0.24 -3.47 114.93 118.58 2kbx h MET 155 Ca 0.00 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2kbx h MET 155 Cb 0.44 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2kbx h MET 155 CO 0.00 -0.10 0.00 0.41 0.23 0.00 0.00 176.91 177.45 2kbx n GLY 156 N -0.59 -1.18 0.00 1.39 0.00 -1.26 -5.06 105.19 98.49 2kbx n GLY 156 Ca -0.10 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2kbx n GLY 156 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kbx n GLN 157 N 0.00 0.00 0.31 1.61 7.27 -1.26 -4.96 117.38 120.35 2kbx n GLN 157 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 2kbx n GLN 157 Cb 0.00 -0.08 -0.07 0.00 2.41 0.00 0.00 30.24 32.50 2kbx n GLN 157 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2kbx h ASN 158 N 0.00 -0.70 -0.86 1.69 -1.24 -1.86 -3.28 115.58 109.34 2kbx h ASN 158 Ca 0.00 -0.01 -0.72 0.00 0.71 0.00 0.00 56.30 56.27 2kbx h ASN 158 Cb 0.00 0.18 -0.10 0.00 0.73 0.00 0.00 38.32 39.13 2kbx h ASN 158 CO 0.00 -0.32 2.41 0.18 -1.29 0.00 0.00 177.43 178.41 2kbx n LEU 159 N -5.34 6.29 -4.41 0.34 7.99 -1.26 -4.91 117.00 115.70 2kbx n LEU 159 Ca -0.11 -4.31 -0.42 0.00 -0.01 0.00 0.00 56.01 51.16 2kbx n LEU 159 Cb 0.34 -1.61 -0.11 0.00 -0.11 0.00 0.00 43.42 41.94 2kbx n LEU 159 CO 0.28 1.00 -0.12 0.54 -1.51 0.00 0.00 177.39 177.58 2kbx s ASN 160 N 2.55 5.89 0.78 -1.43 2.20 -1.24 -5.02 114.94 118.67 2kbx s ASN 160 Ca 0.45 -0.96 -0.13 0.00 -0.94 0.00 0.00 52.86 51.28 2kbx s ASN 160 Cb 0.09 -2.08 0.07 0.00 -2.00 0.00 0.00 41.25 37.33 2kbx s ASN 160 CO -0.02 -0.41 1.18 -0.13 -2.94 0.00 0.00 177.10 174.77 2kbx s ARG 161 N 1.60 1.85 -0.21 3.55 0.52 -1.26 -4.83 118.95 120.18 2kbx s ARG 161 Ca 0.03 1.63 -0.28 0.00 -0.52 0.00 0.00 55.73 56.60 2kbx s ARG 161 Cb -0.19 -1.81 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 2kbx s ARG 161 CO 0.08 -2.03 2.19 0.96 0.02 0.00 0.00 175.30 176.52 2kbx s ILE 162 N -2.27 3.02 -0.62 1.52 -0.00 -1.26 -4.87 121.20 116.72 2kbx s ILE 162 Ca 0.71 0.03 -0.27 0.00 -0.00 0.00 0.00 60.65 61.11 2kbx s ILE 162 Cb -0.26 -3.03 -0.00 0.00 -0.00 0.00 0.00 42.46 39.16 2kbx s ILE 162 CO 0.50 -0.02 1.67 -2.16 -0.00 0.00 0.00 174.94 174.92 2kbx s PRO 163 N 6.24 2.88 -0.15 0.37 0.04 -1.26 -4.37 135.00 138.75 2kbx s PRO 163 Ca 0.99 0.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 2kbx s PRO 163 Cb -0.33 -4.30 0.02 0.00 0.04 0.00 0.00 34.50 29.93 2kbx s PRO 163 CO 0.35 -2.46 0.22 0.98 0.04 0.00 0.00 177.00 176.14 2kbx n TYR 164 N 11.45 -0.90 0.00 0.56 9.36 -1.26 -4.96 117.16 131.41 2kbx n TYR 164 Ca 0.15 0.38 0.00 0.00 3.32 0.00 0.00 57.90 61.75 2kbx n TYR 164 Cb 0.51 -1.19 0.00 0.00 -0.63 0.00 0.00 39.34 38.03 2kbx n TYR 164 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2kbx n LYS 165 N 0.74 0.00 0.00 2.98 4.81 -1.26 -5.13 118.16 120.30 2kbx n LYS 165 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2kbx n LYS 165 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2kbx n LYS 165 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2kbx n ASP 166 N 0.00 0.00 0.00 3.14 5.68 -1.26 -4.85 116.55 119.26 2kbx n ASP 166 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2kbx n ASP 166 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2kbx n ASP 166 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2kbx n THR 167 N 0.00 0.00 -3.82 2.12 -1.04 -1.26 -5.04 114.28 105.23 2kbx n THR 167 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 2kbx n THR 167 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 2kbx n THR 167 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2kbx s PHE 168 N 0.00 2.79 0.00 -1.42 -0.71 -1.26 -4.86 117.98 112.52 2kbx s PHE 168 Ca 0.00 -2.94 0.00 0.00 -1.04 0.00 0.00 56.93 52.95 2kbx s PHE 168 Cb 0.00 -2.37 0.00 0.00 -1.21 0.00 0.00 43.02 39.44 2kbx s PHE 168 CO 0.00 -0.70 0.00 0.91 -1.34 0.00 0.00 175.22 174.09 2kbx n TRP 169 N 2.88 0.00 0.00 3.49 7.02 -1.26 -4.94 117.44 124.63 2kbx n TRP 169 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 2kbx n TRP 169 Cb 0.35 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 2kbx n TRP 169 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 2kbx n LYS 170 N -0.51 0.00 0.00 -0.99 0.00 -1.26 -5.24 118.16 110.16 2kbx n LYS 170 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 2kbx n LYS 170 Cb 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 35.03 35.22 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81