#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx n ASP 2 N 0.00 -1.31 0.00 7.83 8.00 -1.26 -4.02 116.55 125.79 2kbx n ASP 2 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2kbx n ASP 2 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.57 2kbx n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kbx n ASP 3 N 0.38 0.00 -0.14 -2.24 8.00 -1.26 -0.85 116.55 120.44 2kbx n ASP 3 Ca -0.05 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.37 2kbx n ASP 3 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2kbx n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2kbx h ILE 4 N 0.00 1.15 -0.98 0.53 3.07 -1.96 -2.46 117.51 116.86 2kbx h ILE 4 Ca 0.00 -0.39 0.34 0.00 1.55 0.00 0.00 64.86 66.36 2kbx h ILE 4 Cb 0.00 0.64 -0.17 0.00 -0.27 0.00 0.00 36.82 37.03 2kbx h ILE 4 CO 0.00 0.16 0.41 -0.26 -1.05 0.00 0.00 178.15 177.41 2kbx h PHE 5 N 0.55 0.63 0.35 0.16 0.04 -1.30 2.33 116.94 119.70 2kbx h PHE 5 Ca 0.15 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 2kbx h PHE 5 Cb 0.05 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2kbx h PHE 5 CO -0.02 -0.35 -0.17 1.15 -0.60 0.00 0.00 178.31 178.32 2kbx h THR 6 N 0.12 0.00 0.00 -1.55 2.02 -1.22 -2.97 112.91 109.32 2kbx h THR 6 Ca 0.73 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.53 2kbx h THR 6 Cb 1.73 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2kbx h THR 6 CO -0.73 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.16 2kbx n GLN 7 N -4.29 0.13 -0.04 6.66 3.00 -0.32 -2.31 117.38 120.21 2kbx n GLN 7 Ca -0.06 0.14 -0.18 0.00 -0.01 0.00 0.00 57.00 56.89 2kbx n GLN 7 Cb 0.18 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.79 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kbx n ARG 9 N -4.37 0.07 0.00 0.00 1.85 -0.98 -2.89 116.66 110.34 2kbx n ARG 9 Ca -0.18 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2kbx n ARG 9 Cb 0.66 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.59 2kbx n ARG 9 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kbx n GLU 10 N -1.43 0.11 -0.60 2.89 2.13 -1.21 -4.59 120.64 117.94 2kbx n GLU 10 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2kbx n GLU 10 Cb 0.15 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.73 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 -0.48 0.67 2.39 8.31 0.00 -1.16 -4.92 105.19 110.00 2kbx n GLY 11 Ca 0.01 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 0.41 8.46 -0.35 1.61 3.02 -1.14 -4.68 115.26 122.58 2kbx n ASN 12 Ca 0.00 -2.83 0.34 0.00 -0.03 0.00 0.00 54.58 52.06 2kbx n ASN 12 Cb 0.00 -1.47 0.52 0.00 -0.61 0.00 0.00 39.78 38.22 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx n ALA 13 N 2.74 1.20 0.06 5.41 0.00 -1.26 0.35 120.51 129.00 2kbx n ALA 13 Ca 0.72 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 54.47 2kbx n ALA 13 Cb 0.24 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 18.99 2kbx n ALA 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kbx h VAL 14 N 0.00 1.39 -0.11 0.00 3.04 -1.93 -2.80 116.25 115.84 2kbx h VAL 14 Ca 0.59 -2.19 -0.19 0.00 -1.01 0.00 0.00 66.70 63.91 2kbx h VAL 14 Cb 3.00 2.15 0.01 0.00 -2.01 0.00 0.00 31.29 34.44 2kbx h VAL 14 CO -0.01 0.65 -0.66 0.00 -1.01 0.00 0.00 177.57 176.55 2kbx h ALA 15 N 0.93 0.23 -0.41 3.17 0.00 0.57 -2.48 119.26 121.29 2kbx h ALA 15 Ca -0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2kbx h ALA 15 Cb 1.33 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2kbx h ALA 15 CO 0.13 0.52 -0.03 -0.24 0.00 0.00 0.00 179.25 179.63 2kbx h VAL 16 N 0.30 1.23 -0.87 0.00 3.04 -1.51 -1.04 116.25 117.40 2kbx h VAL 16 Ca -0.05 -0.98 -0.01 0.00 -1.01 0.00 0.00 66.70 64.65 2kbx h VAL 16 Cb 1.30 0.96 -0.04 0.00 -2.01 0.00 0.00 31.29 31.50 2kbx h VAL 16 CO 0.13 0.34 0.51 0.08 -1.01 0.00 0.00 177.57 177.62 2kbx h ARG 17 N 0.63 1.20 -0.30 4.17 0.11 -1.45 -1.83 114.38 116.90 2kbx h ARG 17 Ca 0.12 -0.12 0.03 0.00 0.10 0.00 0.00 59.98 60.12 2kbx h ARG 17 Cb 0.45 -0.25 -0.05 0.00 1.11 0.00 0.00 29.97 31.24 2kbx h ARG 17 CO 0.02 0.85 -0.27 1.25 0.10 0.00 0.00 179.97 181.92 2kbx h LEU 18 N 1.21 -0.95 -1.57 0.08 5.85 -0.70 0.28 115.31 119.50 2kbx h LEU 18 Ca 0.31 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.13 2kbx h LEU 18 Cb -0.02 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2kbx h LEU 18 CO -0.06 -0.16 -0.14 4.11 -0.34 0.00 0.00 178.44 181.85 2kbx h TRP 19 N -0.12 0.00 -0.40 1.25 5.08 -1.47 -2.80 115.95 117.48 2kbx h TRP 19 Ca 0.05 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.01 2kbx h TRP 19 Cb 0.25 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.40 2kbx h TRP 19 CO -0.78 0.14 0.19 1.25 -1.28 0.00 0.00 178.44 177.96 2kbx h LEU 20 N 0.00 0.52 0.00 0.11 5.85 0.29 -1.76 115.31 120.32 2kbx h LEU 20 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2kbx h LEU 20 Cb 0.52 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2kbx h LEU 20 CO 0.02 0.50 0.00 -0.90 -0.34 0.00 0.00 178.44 177.72 2kbx n ASP 21 N -4.69 0.00 -4.48 1.25 5.68 0.38 -4.78 116.55 109.92 2kbx n ASP 21 Ca 0.00 0.10 -0.43 0.00 -0.50 0.00 0.00 54.79 53.96 2kbx n ASP 21 Cb 0.11 -0.28 -0.14 0.00 -1.14 0.00 0.00 41.12 39.68 2kbx n ASP 21 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2kbx n ASN 22 N -1.28 0.55 0.00 -1.12 5.03 -0.66 -4.65 115.26 113.13 2kbx n ASN 22 Ca 0.06 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.69 2kbx n ASN 22 Cb 0.09 -0.98 0.01 0.00 -1.02 0.00 0.00 39.78 37.88 2kbx n ASN 22 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2kbx n THR 23 N 7.43 0.46 0.06 3.41 5.66 -1.26 -0.78 114.28 129.26 2kbx n THR 23 Ca 0.62 0.12 -0.11 0.00 -3.05 0.00 0.00 64.05 61.62 2kbx n THR 23 Cb 0.07 -1.11 -0.13 0.00 -1.55 0.00 0.00 70.33 67.61 2kbx n THR 23 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2kbx h GLU 24 N 0.00 0.10 -6.29 1.09 4.39 -1.96 -3.48 114.58 108.44 2kbx h GLU 24 Ca 0.00 -0.17 -0.38 0.00 0.34 0.00 0.00 59.36 59.15 2kbx h GLU 24 Cb 0.00 0.06 0.03 0.00 -0.10 0.00 0.00 28.75 28.75 2kbx h GLU 24 CO 0.00 0.98 -0.81 0.09 -1.16 0.00 0.00 179.01 178.11 2kbx n ASN 25 N -3.36 -5.57 0.00 1.42 5.03 0.04 -4.83 115.26 108.00 2kbx n ASN 25 Ca -0.08 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.53 2kbx n ASN 25 Cb 0.99 -3.07 0.00 0.00 -1.02 0.00 0.00 39.78 36.68 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 -2.43 0.00 -0.06 6.41 8.00 -1.26 -4.79 116.55 122.42 2kbx n ASP 26 Ca -0.15 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.49 2kbx n ASP 26 Cb 0.60 0.06 0.54 0.00 -0.02 0.00 0.00 41.12 42.30 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 -1.69 0.35 -0.05 0.64 7.99 -1.26 -3.87 117.00 119.11 2kbx n LEU 27 Ca 0.00 0.14 0.24 0.00 -0.01 0.00 0.00 56.01 56.38 2kbx n LEU 27 Cb 0.00 -0.28 0.59 0.00 -0.11 0.00 0.00 43.42 43.62 2kbx n LEU 27 CO 0.00 0.07 1.22 -1.13 -1.51 0.00 0.00 177.39 176.04 2kbx h ASN 28 N 0.29 0.00 -0.44 -1.43 -1.24 -1.87 -3.40 115.58 107.48 2kbx h ASN 28 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kbx h ASN 28 Cb 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 2kbx h ASN 28 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 2kbx n GLN 29 N -3.43 -0.13 0.00 6.67 0.00 -1.25 -4.74 117.38 114.50 2kbx n GLN 29 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.15 2kbx n GLN 29 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.30 2kbx n GLN 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kbx n GLY 30 N 0.00 2.63 3.75 2.61 0.00 -1.26 -4.64 105.19 108.28 2kbx n GLY 30 Ca 0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 1.00 7.43 0.00 1.61 1.11 0.11 -4.88 116.67 123.05 2kbx s ASP 31 Ca 0.00 1.70 0.07 0.00 0.18 0.00 0.00 52.55 54.50 2kbx s ASP 31 Cb 0.00 -2.54 0.32 0.00 1.07 0.00 0.00 42.92 41.77 2kbx s ASP 31 CO 0.00 0.09 1.15 0.47 1.18 0.00 0.00 175.17 178.06 2kbx n ASP 32 N 2.15 0.00 0.01 0.27 9.92 -1.26 0.50 116.55 128.13 2kbx n ASP 32 Ca -0.02 0.35 0.13 0.00 -0.53 0.00 0.00 54.79 54.72 2kbx n ASP 32 Cb 0.49 -0.40 0.43 0.00 -0.64 0.00 0.00 41.12 41.00 2kbx n ASP 32 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2kbx n HIS 33 N -1.40 0.10 0.00 1.24 8.25 -1.26 -4.90 115.22 117.25 2kbx n HIS 33 Ca 0.02 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2kbx n HIS 33 Cb 0.07 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2kbx n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kbx n GLY 34 N 1.48 1.08 3.50 -1.41 0.00 0.18 -3.86 105.19 106.16 2kbx n GLY 34 Ca 0.06 0.00 -0.43 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 2.88 0.86 1.61 0.08 -1.19 -4.24 117.98 115.98 2kbx s PHE 35 Ca 0.00 -0.13 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 2kbx s PHE 35 Cb 0.00 -3.90 0.11 0.00 -0.57 0.00 0.00 43.02 38.66 2kbx s PHE 35 CO 0.00 -1.24 1.15 -1.54 -0.10 0.00 0.00 175.22 173.50 2kbx s SER 36 N 2.74 3.98 0.19 1.36 1.04 -1.26 0.08 113.70 121.83 2kbx s SER 36 Ca 0.26 0.90 -0.12 0.00 0.48 0.00 0.00 55.95 57.48 2kbx s SER 36 Cb -0.14 -1.46 0.14 0.00 0.10 0.00 0.00 66.02 64.66 2kbx s SER 36 CO 0.18 -2.25 1.82 -0.65 0.98 0.00 0.00 173.24 173.32 2kbx h PRO 37 N -1.29 0.65 -0.77 4.02 0.11 -1.85 -1.13 132.00 131.74 2kbx h PRO 37 Ca -0.48 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.69 2kbx h PRO 37 Cb 1.33 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 2kbx h PRO 37 CO 0.64 0.43 0.50 -0.07 -0.21 0.00 0.00 178.00 179.29 2kbx h LEU 38 N 0.67 0.60 0.41 2.35 3.38 -1.97 0.25 115.31 121.00 2kbx h LEU 38 Ca 0.23 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2kbx h LEU 38 Cb 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2kbx h LEU 38 CO -0.11 0.35 -0.21 0.45 0.09 0.00 0.00 178.44 179.02 2kbx h HIS 39 N 0.66 -0.54 -0.56 1.13 3.86 -1.56 1.18 115.15 119.34 2kbx h HIS 39 Ca 0.36 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.66 2kbx h HIS 39 Cb 0.49 0.18 -0.09 0.00 1.06 0.00 0.00 27.41 29.06 2kbx h HIS 39 CO -0.00 -0.33 0.06 -1.49 0.86 0.00 0.00 177.93 177.03 2kbx h TRP 40 N -0.56 0.07 0.75 2.45 4.06 -1.21 -2.55 115.95 118.96 2kbx h TRP 40 Ca -0.06 0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 2kbx h TRP 40 Cb 0.43 0.05 0.01 0.00 -1.00 0.00 0.00 29.16 28.66 2kbx h TRP 40 CO 0.11 -0.08 -0.36 0.00 -3.56 0.00 0.00 178.44 174.55 2kbx h ALA 41 N 1.47 -1.01 -0.89 1.49 0.00 -0.27 -2.31 119.26 117.74 2kbx h ALA 41 Ca 0.29 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 55.23 2kbx h ALA 41 Cb 0.43 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2kbx h ALA 41 CO -0.42 -1.04 0.87 0.00 0.00 0.00 0.00 179.25 178.66 2kbx h ARG 43 N 0.00 -0.16 0.04 0.00 3.08 -1.03 -3.37 114.38 112.94 2kbx h ARG 43 Ca 0.42 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.50 2kbx h ARG 43 Cb 2.15 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 32.19 2kbx h ARG 43 CO -0.00 0.14 -0.44 0.93 -1.07 0.00 0.00 179.97 179.52 2kbx h GLU 44 N -1.00 -0.57 0.00 0.04 5.08 -0.80 -3.47 114.58 113.87 2kbx h GLU 44 Ca -0.02 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2kbx h GLU 44 Cb 0.36 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kbx h GLU 44 CO 0.03 -0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.07 2kbx n GLY 45 N -1.39 0.59 2.35 -3.84 0.00 -0.86 -5.00 105.19 97.04 2kbx n GLY 45 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 0.76 -0.25 1.61 1.74 -1.26 -4.61 116.66 114.66 2kbx n ARG 46 Ca 0.00 -0.41 0.23 0.00 -0.77 0.00 0.00 57.85 56.91 2kbx n ARG 46 Cb 0.00 -1.72 0.42 0.00 -1.02 0.00 0.00 32.46 30.14 2kbx n ARG 46 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2kbx n SER 47 N 2.93 0.20 0.00 0.55 3.41 -1.26 -2.06 113.62 117.39 2kbx n SER 47 Ca 0.16 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 2kbx n SER 47 Cb 0.31 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kbx n ALA 48 N -2.52 0.00 -0.56 7.33 0.00 -1.26 -0.89 120.51 122.60 2kbx n ALA 48 Ca 0.26 0.00 0.44 0.00 0.00 0.00 0.00 53.44 54.14 2kbx n ALA 48 Cb 0.93 0.00 0.70 0.00 0.00 0.00 0.00 19.45 21.08 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 -0.23 -0.10 0.36 0.00 0.24 -0.94 -0.33 118.33 117.32 2kbx n VAL 49 Ca 0.00 1.50 -0.14 0.00 -2.04 0.00 0.00 64.34 63.66 2kbx n VAL 49 Cb 0.00 -2.48 -0.07 0.00 -1.47 0.00 0.00 33.84 29.82 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 0.00 -0.83 3.34 2.07 -1.26 -2.83 116.25 116.75 2kbx h VAL 50 Ca 0.84 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 68.39 2kbx h VAL 50 Cb 3.11 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 32.76 2kbx h VAL 50 CO -0.19 0.00 0.29 1.05 0.02 0.00 0.00 177.57 178.74 2kbx h GLU 51 N -1.11 0.33 -0.13 1.57 4.11 0.13 0.23 114.58 119.71 2kbx h GLU 51 Ca -0.10 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.35 2kbx h GLU 51 Cb 0.72 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2kbx h GLU 51 CO 0.16 0.22 -0.14 0.52 0.07 0.00 0.00 179.01 179.84 2kbx h MET 52 N 0.34 -0.17 -0.16 1.06 2.86 -1.43 -1.70 114.93 115.74 2kbx h MET 52 Ca 0.50 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 58.04 2kbx h MET 52 Cb 0.90 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2kbx h MET 52 CO -0.53 -0.11 -0.33 1.25 1.06 0.00 0.00 176.91 178.25 2kbx h LEU 53 N -0.17 0.56 -0.63 1.22 7.12 -0.96 -0.80 115.31 121.64 2kbx h LEU 53 Ca 0.09 -0.56 0.13 0.00 0.13 0.00 0.00 57.88 57.67 2kbx h LEU 53 Cb 0.31 -0.16 -0.11 0.00 -0.53 0.00 0.00 40.66 40.16 2kbx h LEU 53 CO -0.23 1.02 -0.05 0.40 -0.13 0.00 0.00 178.44 179.45 2kbx h ILE 54 N 0.13 0.44 0.00 4.05 1.08 -0.33 0.73 117.51 123.60 2kbx h ILE 54 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2kbx h ILE 54 Cb 0.93 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 2kbx h ILE 54 CO 0.07 0.01 -0.39 0.24 -0.69 0.00 0.00 178.15 177.40 2kbx h MET 55 N 0.07 0.00 -0.90 2.37 2.86 -1.34 -3.20 114.93 114.79 2kbx h MET 55 Ca 0.32 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.10 2kbx h MET 55 Cb 0.53 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 2kbx h MET 55 CO -0.58 0.00 0.58 -0.09 1.06 0.00 0.00 176.91 177.88 2kbx h ARG 56 N 0.00 0.74 0.00 1.72 1.12 0.69 -3.43 114.38 115.22 2kbx h ARG 56 Ca 0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 2kbx h ARG 56 Cb 0.85 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.64 2kbx h ARG 56 CO 0.00 0.49 0.00 0.41 -3.11 0.00 0.00 179.97 177.76 2kbx n GLY 57 N -1.42 0.00 3.79 2.80 0.00 -1.17 -5.09 105.19 104.10 2kbx n GLY 57 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2kbx n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx s ALA 58 N 0.00 3.61 -0.08 4.61 0.00 -1.21 -5.07 121.76 123.63 2kbx s ALA 58 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2kbx s ALA 58 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 2kbx s ALA 58 CO 0.00 0.63 1.06 1.03 0.00 0.00 0.00 175.76 178.48 2kbx s ARG 59 N -1.17 4.42 0.00 0.00 1.81 -1.26 -4.82 118.95 117.93 2kbx s ARG 59 Ca 0.17 1.47 0.27 0.00 -1.72 0.00 0.00 55.73 55.92 2kbx s ARG 59 Cb -0.12 -3.53 0.94 0.00 -0.45 0.00 0.00 34.95 31.79 2kbx s ARG 59 CO 0.06 -0.32 1.68 0.44 -0.68 0.00 0.00 175.30 176.48 2kbx n ILE 60 N 4.48 0.00 -0.02 1.52 -0.00 -1.26 -3.81 119.36 120.28 2kbx n ILE 60 Ca 0.09 -0.24 0.12 0.00 -0.00 0.00 0.00 62.75 62.72 2kbx n ILE 60 Cb 0.48 0.54 0.27 0.00 -0.00 0.00 0.00 39.64 40.94 2kbx n ILE 60 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2kbx n ASN 61 N 0.09 3.73 -4.13 7.28 0.23 -1.26 -4.58 115.26 116.61 2kbx n ASN 61 Ca 0.17 -2.00 -0.29 0.00 -0.53 0.00 0.00 54.58 51.93 2kbx n ASN 61 Cb 0.37 -0.37 0.22 0.00 -2.08 0.00 0.00 39.78 37.92 2kbx n ASN 61 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2kbx s VAL 62 N -1.26 1.75 -0.02 3.53 -7.23 -1.25 -5.05 120.40 110.87 2kbx s VAL 62 Ca 0.44 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 2kbx s VAL 62 Cb 0.24 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2kbx s VAL 62 CO 0.33 0.00 -0.00 -0.04 -0.31 0.00 0.00 175.10 175.08 2kbx s MET 63 N -5.24 0.24 1.17 4.82 -1.94 -1.26 -4.47 119.30 112.61 2kbx s MET 63 Ca 0.69 0.05 -0.17 0.00 -1.71 0.00 0.00 55.69 54.56 2kbx s MET 63 Cb -0.13 -0.40 0.27 0.00 2.01 0.00 0.00 34.83 36.58 2kbx s MET 63 CO 0.57 -0.10 1.07 0.54 -0.01 0.00 0.00 175.02 177.08 2kbx s ASN 64 N 0.80 1.16 0.50 3.03 4.22 -1.09 -4.79 114.94 118.77 2kbx s ASN 64 Ca -0.08 0.95 0.21 0.00 -2.14 0.00 0.00 52.86 51.80 2kbx s ASN 64 Cb -0.11 -1.42 1.30 0.00 1.28 0.00 0.00 41.25 42.29 2kbx s ASN 64 CO -0.02 -4.01 2.08 -0.09 -2.04 0.00 0.00 177.10 173.02 2kbx h ARG 65 N -2.50 0.00 -1.13 3.55 2.43 -1.74 -1.61 114.38 113.40 2kbx h ARG 65 Ca -0.51 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.23 2kbx h ARG 65 Cb 1.32 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.65 2kbx h ARG 65 CO 0.44 0.11 0.56 0.41 -1.51 0.00 0.00 179.97 179.98 2kbx n GLY 66 N -1.03 4.36 3.23 2.80 0.00 -1.26 -4.93 105.19 108.35 2kbx n GLY 66 Ca -0.02 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 2kbx n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kbx n ASP 67 N -0.50 -6.45 -3.20 1.61 -0.08 -0.60 -5.00 116.55 102.33 2kbx n ASP 67 Ca 0.45 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 54.06 2kbx n ASP 67 Cb 1.02 -2.29 -0.03 0.00 2.34 0.00 0.00 41.12 42.16 2kbx n ASP 67 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kbx s ASP 68 N -1.36 -0.96 0.26 1.67 1.01 -1.26 -4.77 116.67 111.26 2kbx s ASP 68 Ca 0.16 0.65 -0.12 0.00 0.71 0.00 0.00 52.55 53.94 2kbx s ASP 68 Cb -0.02 1.88 -0.08 0.00 1.01 0.00 0.00 42.92 45.71 2kbx s ASP 68 CO 0.45 -0.27 0.63 0.42 0.21 0.00 0.00 175.17 176.61 2kbx s THR 69 N 2.77 4.82 0.45 -1.27 -4.23 -1.26 -2.68 115.64 114.24 2kbx s THR 69 Ca 0.18 0.71 0.17 0.00 -1.18 0.00 0.00 61.69 61.57 2kbx s THR 69 Cb -0.15 -3.63 0.36 0.00 1.34 0.00 0.00 72.50 70.42 2kbx s THR 69 CO -0.20 -0.08 1.94 -0.65 -0.54 0.00 0.00 174.62 175.09 2kbx h PRO 70 N 2.54 0.33 -0.32 3.99 0.10 -1.81 -1.03 132.00 135.80 2kbx h PRO 70 Ca -0.47 -0.02 0.06 0.00 0.10 0.00 0.00 66.00 65.67 2kbx h PRO 70 Cb 1.17 -0.07 -0.06 0.00 0.10 0.00 0.00 31.00 32.14 2kbx h PRO 70 CO 0.67 0.22 -0.06 1.25 0.10 0.00 0.00 178.00 180.18 2kbx h LEU 71 N 0.34 -0.26 0.14 2.35 5.85 -1.92 1.65 115.31 123.45 2kbx h LEU 71 Ca 0.33 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 2kbx h LEU 71 Cb 0.84 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2kbx h LEU 71 CO -0.09 -0.09 -0.15 0.45 -0.34 0.00 0.00 178.44 178.22 2kbx h HIS 72 N 0.02 -0.41 -0.61 1.25 3.86 -1.56 0.54 115.15 118.24 2kbx h HIS 72 Ca 0.16 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.49 2kbx h HIS 72 Cb 0.23 0.16 -0.12 0.00 1.06 0.00 0.00 27.41 28.74 2kbx h HIS 72 CO -0.28 -0.19 -0.25 -0.07 0.86 0.00 0.00 177.93 178.00 2kbx h LEU 73 N -0.28 -0.88 0.25 2.43 3.38 -1.18 1.63 115.31 120.66 2kbx h LEU 73 Ca -0.02 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2kbx h LEU 73 Cb 0.25 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2kbx h LEU 73 CO -0.02 -0.26 -0.35 0.00 0.09 0.00 0.00 178.44 177.89 2kbx h ALA 74 N 1.32 -0.70 0.00 1.53 0.00 0.28 -1.13 119.26 120.56 2kbx h ALA 74 Ca 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2kbx h ALA 74 Cb 0.52 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kbx h ALA 74 CO -0.67 -0.94 -0.16 0.00 0.00 0.00 0.00 179.25 177.48 2kbx h ALA 75 N -0.15 1.59 -0.34 0.00 0.00 0.14 -2.86 119.26 117.64 2kbx h ALA 75 Ca -0.00 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2kbx h ALA 75 Cb 0.64 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 2kbx h ALA 75 CO -0.12 0.20 -0.13 0.77 0.00 0.00 0.00 179.25 179.97 2kbx h SER 76 N 0.00 -0.44 0.87 0.00 0.02 0.36 -2.77 113.55 111.59 2kbx h SER 76 Ca -0.00 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2kbx h SER 76 Cb 0.31 0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.12 2kbx h SER 76 CO 0.02 -0.16 -0.44 -0.74 -1.14 0.00 0.00 176.83 174.37 2kbx h HIS 77 N -0.06 -1.15 0.00 3.45 6.17 -1.28 -3.46 115.15 118.82 2kbx h HIS 77 Ca 0.17 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.23 2kbx h HIS 77 Cb 0.32 0.39 0.00 0.00 2.52 0.00 0.00 27.41 30.64 2kbx h HIS 77 CO -0.35 -0.70 0.00 0.41 0.71 0.00 0.00 177.93 178.00 2kbx n GLY 78 N -1.60 0.79 3.56 5.26 0.00 -1.04 -5.07 105.19 107.09 2kbx n GLY 78 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2kbx n GLY 78 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kbx s HIS 79 N -0.73 1.61 0.34 1.61 0.00 -1.26 -4.79 115.29 112.07 2kbx s HIS 79 Ca 0.00 0.96 0.07 0.00 -3.00 0.00 0.00 55.06 53.09 2kbx s HIS 79 Cb 0.00 -3.92 0.76 0.00 -4.00 0.00 0.00 32.58 25.42 2kbx s HIS 79 CO 0.00 -1.90 1.88 0.07 -1.00 0.00 0.00 174.74 173.78 2kbx h ARG 80 N 12.98 0.74 0.14 -0.38 0.11 -1.96 -2.98 114.38 123.02 2kbx h ARG 80 Ca -0.03 -0.04 0.01 0.00 0.10 0.00 0.00 59.98 60.02 2kbx h ARG 80 Cb 1.06 -0.17 -0.04 0.00 1.11 0.00 0.00 29.97 31.93 2kbx h ARG 80 CO 1.17 0.49 -0.51 0.22 0.10 0.00 0.00 179.97 181.44 2kbx h ASP 81 N 0.76 -1.53 -0.86 0.08 1.82 -2.00 0.21 116.42 114.89 2kbx h ASP 81 Ca 0.44 0.16 0.05 0.00 -0.39 0.00 0.00 57.03 57.29 2kbx h ASP 81 Cb 0.61 0.56 -0.05 0.00 0.68 0.00 0.00 39.33 41.13 2kbx h ASP 81 CO -0.20 -0.55 0.57 -0.29 -1.61 0.00 0.00 179.24 177.16 2kbx h ILE 82 N -0.74 1.09 0.57 2.25 2.10 -1.94 -2.69 117.51 118.14 2kbx h ILE 82 Ca -0.01 -0.34 -0.03 0.00 1.08 0.00 0.00 64.86 65.56 2kbx h ILE 82 Cb 0.74 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 2kbx h ILE 82 CO -0.27 0.18 -0.28 0.58 -1.08 0.00 0.00 178.15 177.29 2kbx h VAL 83 N 1.00 0.43 -0.43 2.19 2.07 -1.12 -1.93 116.25 118.46 2kbx h VAL 83 Ca 0.36 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.95 2kbx h VAL 83 Cb 0.15 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2kbx h VAL 83 CO -0.13 0.00 0.08 0.06 0.02 0.00 0.00 177.57 177.61 2kbx h GLN 84 N -0.77 0.21 0.00 1.57 3.07 -0.31 0.22 115.11 119.08 2kbx h GLN 84 Ca -0.08 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.60 2kbx h GLN 84 Cb 0.60 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 2kbx h GLN 84 CO 0.12 0.14 -0.22 1.57 0.09 0.00 0.00 178.83 180.53 2kbx h LYS 85 N 0.21 0.00 0.22 0.06 2.10 -1.46 -2.13 116.57 115.58 2kbx h LYS 85 Ca 0.21 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.52 2kbx h LYS 85 Cb 0.26 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.61 2kbx h LYS 85 CO -0.27 0.22 -1.59 1.25 -2.00 0.00 0.00 179.45 177.05 2kbx h LEU 86 N 0.00 0.73 -0.20 7.07 6.46 -0.40 -3.30 115.31 125.68 2kbx h LEU 86 Ca -0.00 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 2kbx h LEU 86 Cb 0.58 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2kbx h LEU 86 CO 0.03 1.74 0.00 -0.11 -0.62 0.00 0.00 178.44 179.48 2kbx n LEU 87 N -3.68 0.57 0.00 2.25 0.00 0.64 -2.84 117.00 113.95 2kbx n LEU 87 Ca -0.21 0.58 0.08 0.00 0.00 0.00 0.00 56.01 56.47 2kbx n LEU 87 Cb 1.08 -0.44 0.48 0.00 0.00 0.00 0.00 43.42 44.54 2kbx n LEU 87 CO 0.56 -0.27 0.80 0.00 0.00 0.00 0.00 177.39 178.48 2kbx n GLN 88 N -2.07 0.98 -0.11 1.96 6.02 -0.81 -1.35 117.38 121.99 2kbx n GLN 88 Ca 0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.80 2kbx n GLN 88 Cb 0.34 -1.26 -0.11 0.00 1.02 0.00 0.00 30.24 30.23 2kbx n GLN 88 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2kbx n TYR 89 N -0.76 0.28 -1.48 1.08 4.01 -1.13 -4.83 117.16 114.34 2kbx n TYR 89 Ca 0.12 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 2kbx n TYR 89 Cb 0.06 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.05 2kbx n TYR 89 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2kbx n LYS 90 N -3.84 0.00 -3.93 -0.72 -0.00 -1.24 -5.04 118.16 103.40 2kbx n LYS 90 Ca -0.46 -0.22 -0.39 0.00 -0.00 0.00 0.00 58.31 57.24 2kbx n LYS 90 Cb 0.92 -0.26 0.02 0.00 -0.00 0.00 0.00 35.03 35.71 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx n ALA 91 N 0.00 -2.52 0.82 0.58 0.00 -0.46 -4.73 120.51 114.19 2kbx n ALA 91 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2kbx n ALA 91 Cb 0.46 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 -2.45 2.31 0.08 0.00 5.75 -1.26 -3.46 116.55 117.53 2kbx n ASP 92 Ca -0.13 -1.63 -0.10 0.00 -0.01 0.00 0.00 54.79 52.93 2kbx n ASP 92 Cb 0.59 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 40.26 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 0.17 1.46 0.00 2.12 -0.00 -1.94 -2.81 117.51 116.51 2kbx h ILE 93 Ca 0.00 -2.52 0.00 0.00 -0.00 0.00 0.00 64.86 62.34 2kbx h ILE 93 Cb 0.78 2.41 0.00 0.00 -0.00 0.00 0.00 36.82 40.01 2kbx h ILE 93 CO 0.00 0.74 0.00 -0.46 -0.00 0.00 0.00 178.15 178.43 2kbx n ASN 94 N -3.70 0.00 -4.33 2.19 0.23 -1.22 -4.47 115.26 103.96 2kbx n ASN 94 Ca -0.04 0.34 -0.46 0.00 -0.53 0.00 0.00 54.58 53.89 2kbx n ASN 94 Cb 0.80 -0.45 -0.04 0.00 -2.08 0.00 0.00 39.78 38.01 2kbx n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kbx s ALA 95 N -2.90 3.73 0.99 -2.53 0.00 -1.06 -5.05 121.76 114.94 2kbx s ALA 95 Ca 0.17 -2.72 -0.09 0.00 0.00 0.00 0.00 51.96 49.33 2kbx s ALA 95 Cb 0.19 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 20.04 2kbx s ALA 95 CO 0.51 -2.15 0.70 1.55 0.00 0.00 0.00 175.76 176.37 2kbx n VAL 96 N 4.95 0.00 0.00 0.00 3.14 -1.26 -4.98 118.33 120.18 2kbx n VAL 96 Ca -0.05 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 2kbx n VAL 96 Cb 0.42 -1.72 0.00 0.00 -1.06 0.00 0.00 33.84 31.48 2kbx n VAL 96 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2kbx n ASN 97 N -3.44 0.00 0.00 6.55 5.03 -1.26 -4.96 115.26 117.18 2kbx n ASN 97 Ca 0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.54 2kbx n ASN 97 Cb 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 2kbx n ASN 97 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2kbx n GLU 98 N 0.00 1.64 0.00 3.52 0.28 -1.26 -4.65 120.64 120.18 2kbx n GLU 98 Ca 0.00 -0.21 0.07 0.00 -0.16 0.00 0.00 57.16 56.86 2kbx n GLU 98 Cb 0.00 -0.65 -0.02 0.00 1.43 0.00 0.00 31.44 32.19 2kbx n GLU 98 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kbx n HIS 99 N -0.30 0.00 -0.85 -1.84 8.25 -1.26 -4.97 115.22 114.25 2kbx n HIS 99 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kbx n HIS 99 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kbx n GLY 100 N 1.15 0.88 3.34 -1.41 0.00 -1.26 -4.52 105.19 103.36 2kbx n GLY 100 Ca 0.05 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 2kbx n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbx n ASN 101 N 0.34 5.51 -4.76 1.61 5.03 -1.26 -4.91 115.26 116.82 2kbx n ASN 101 Ca 0.00 -3.05 -0.39 0.00 0.87 0.00 0.00 54.58 52.01 2kbx n ASN 101 Cb 0.18 -1.41 -0.06 0.00 -1.02 0.00 0.00 39.78 37.46 2kbx n ASN 101 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2kbx s VAL 102 N -0.77 4.03 0.45 2.41 1.01 -1.26 -4.28 120.40 121.98 2kbx s VAL 102 Ca 0.34 1.89 0.29 0.00 0.00 0.00 0.00 61.98 64.49 2kbx s VAL 102 Cb -0.07 -4.14 0.49 0.00 0.00 0.00 0.00 36.38 32.66 2kbx s VAL 102 CO -0.05 0.33 1.68 -0.65 0.00 0.00 0.00 175.10 176.41 2kbx h PRO 103 N 3.68 0.15 0.30 2.72 0.11 -1.91 0.95 132.00 137.99 2kbx h PRO 103 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2kbx h PRO 103 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kbx h PRO 103 CO 0.66 0.10 -0.14 1.25 -0.21 0.00 0.00 178.00 179.66 2kbx h LEU 104 N 0.15 -0.34 -1.01 2.35 5.85 -1.95 0.60 115.31 120.96 2kbx h LEU 104 Ca 0.74 -0.00 0.27 0.00 0.84 0.00 0.00 57.88 59.73 2kbx h LEU 104 Cb 2.34 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 43.33 2kbx h LEU 104 CO -0.31 -0.23 0.59 0.45 -0.34 0.00 0.00 178.44 178.60 2kbx h HIS 105 N -0.42 0.98 0.09 1.25 3.86 -1.17 0.63 115.15 120.37 2kbx h HIS 105 Ca -0.04 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2kbx h HIS 105 Cb 0.32 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2kbx h HIS 105 CO -0.05 -0.02 -0.04 1.88 0.86 0.00 0.00 177.93 180.56 2kbx h TYR 106 N 0.49 -0.11 -0.82 2.45 -1.99 -1.23 0.26 116.97 116.02 2kbx h TYR 106 Ca 0.68 -0.00 0.19 0.00 2.00 0.00 0.00 58.73 61.59 2kbx h TYR 106 Cb 1.39 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 40.10 2kbx h TYR 106 CO -0.01 0.41 0.55 0.00 -0.00 0.00 0.00 178.16 179.11 2kbx h ALA 107 N -0.30 2.27 0.11 3.88 0.00 0.15 -0.79 119.26 124.58 2kbx h ALA 107 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2kbx h ALA 107 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kbx h ALA 107 CO 0.02 -0.51 -1.62 0.00 0.00 0.00 0.00 179.25 177.14 2kbx h PHE 109 N 0.06 0.00 0.00 0.00 3.57 0.99 -1.73 116.94 119.83 2kbx h PHE 109 Ca -0.28 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 2kbx h PHE 109 Cb 2.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.75 2kbx h PHE 109 CO 0.06 0.00 -0.45 -1.49 -2.23 0.00 0.00 178.31 174.20 2kbx h TRP 110 N 0.00 0.00 0.00 0.41 4.06 -1.47 -3.50 115.95 115.46 2kbx h TRP 110 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 2kbx h TRP 110 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2kbx h TRP 110 CO 0.00 0.85 0.00 0.41 -3.56 0.00 0.00 178.44 176.14 2kbx n GLY 111 N 1.59 0.85 2.74 1.49 0.00 -0.65 -5.12 105.19 106.09 2kbx n GLY 111 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 0.99 0.27 1.61 -0.21 -1.22 -5.00 119.66 116.10 2kbx s GLN 112 Ca 0.00 -1.50 -0.04 0.00 0.02 0.00 0.00 55.36 53.84 2kbx s GLN 112 Cb 0.00 -2.21 0.35 0.00 1.00 0.00 0.00 33.01 32.15 2kbx s GLN 112 CO 0.00 -1.05 1.93 0.22 -2.12 0.00 0.00 175.29 174.27 2kbx h ASP 113 N 7.52 1.08 -0.10 5.90 3.58 -1.97 -3.04 116.42 129.38 2kbx h ASP 113 Ca -0.08 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.38 2kbx h ASP 113 Cb 0.98 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.72 2kbx h ASP 113 CO 0.48 0.76 -0.44 0.06 -2.88 0.00 0.00 179.24 177.21 2kbx h GLN 114 N 1.26 -0.46 -0.96 0.28 -0.00 -1.98 -0.06 115.11 113.19 2kbx h GLN 114 Ca 0.37 0.03 0.13 0.00 -0.00 0.00 0.00 58.65 59.17 2kbx h GLN 114 Cb -0.07 0.11 -0.08 0.00 -0.00 0.00 0.00 27.48 27.43 2kbx h GLN 114 CO -0.10 -0.31 0.61 -0.39 -0.00 0.00 0.00 178.83 178.65 2kbx h VAL 115 N -0.48 0.90 -0.95 1.86 -1.51 -1.94 -0.72 116.25 113.42 2kbx h VAL 115 Ca 0.02 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2kbx h VAL 115 Cb 0.55 -0.08 -0.05 0.00 -2.13 0.00 0.00 31.29 29.59 2kbx h VAL 115 CO -0.35 0.16 0.60 0.00 -1.23 0.00 0.00 177.57 176.76 2kbx h ALA 116 N 1.56 1.27 0.23 5.19 0.00 -1.09 -2.63 119.26 123.80 2kbx h ALA 116 Ca 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2kbx h ALA 116 Cb 0.55 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kbx h ALA 116 CO -0.24 0.65 -0.11 1.49 0.00 0.00 0.00 179.25 181.03 2kbx h GLU 117 N 1.30 -0.30 -1.01 0.00 4.81 0.47 -2.72 114.58 117.13 2kbx h GLU 117 Ca 0.34 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.83 2kbx h GLU 117 Cb -0.10 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.25 2kbx h GLU 117 CO -0.07 -0.12 0.63 -0.44 -0.73 0.00 0.00 179.01 178.28 2kbx h ASP 118 N -0.42 0.57 0.33 1.04 3.32 -1.11 0.51 116.42 120.65 2kbx h ASP 118 Ca -0.03 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2kbx h ASP 118 Cb 0.32 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2kbx h ASP 118 CO 0.05 0.15 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.50 2kbx h LEU 119 N 0.52 -0.37 0.00 1.55 3.38 -1.20 -2.82 115.31 116.37 2kbx h LEU 119 Ca 0.58 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2kbx h LEU 119 Cb 1.26 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2kbx h LEU 119 CO -0.33 0.08 0.00 0.55 0.09 0.00 0.00 178.44 178.83 2kbx n VAL 120 N -5.09 1.56 0.20 1.22 3.14 -0.95 -2.05 118.33 116.36 2kbx n VAL 120 Ca -0.08 0.39 0.09 0.00 -2.96 0.00 0.00 64.34 61.78 2kbx n VAL 120 Cb 0.26 -1.32 0.46 0.00 -1.06 0.00 0.00 33.84 32.18 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 -1.46 1.18 -0.11 1.55 0.00 0.13 -2.39 120.51 119.41 2kbx n ALA 121 Ca 0.01 0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 2kbx n ALA 121 Cb 0.05 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 2kbx n ALA 121 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kbx n ASN 122 N -2.09 2.11 0.00 0.00 2.85 -0.87 -5.00 115.26 112.26 2kbx n ASN 122 Ca -0.00 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2kbx n ASN 122 Cb 0.07 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 40.65 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kbx n GLY 123 N 2.19 -0.70 0.20 8.20 0.00 -1.00 -4.98 105.19 109.09 2kbx n GLY 123 Ca -0.41 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 1.39 -3.95 4.61 0.00 -1.76 -3.46 119.26 116.09 2kbx h ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kbx h ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kbx h ALA 124 CO 0.00 -0.39 -0.85 -0.11 0.00 0.00 0.00 179.25 177.90 2kbx n LEU 125 N -2.08 -5.64 0.16 0.00 -0.00 -1.26 -4.69 117.00 103.49 2kbx n LEU 125 Ca -0.01 2.91 0.13 0.00 -0.00 0.00 0.00 56.01 59.04 2kbx n LEU 125 Cb 0.54 -2.90 0.28 0.00 -0.00 0.00 0.00 43.42 41.34 2kbx n LEU 125 CO 0.04 -1.51 0.83 -0.37 -0.00 0.00 0.00 177.39 176.38 2kbx h VAL 126 N 3.78 0.00 -0.72 1.96 -1.51 -1.95 -3.24 116.25 114.57 2kbx h VAL 126 Ca 0.00 -0.74 -0.43 0.00 -1.23 0.00 0.00 66.70 64.30 2kbx h VAL 126 Cb 0.00 1.73 -0.22 0.00 -2.13 0.00 0.00 31.29 30.67 2kbx h VAL 126 CO 0.00 0.00 0.56 -0.24 -1.23 0.00 0.00 177.57 176.66 2kbx n SER 127 N -2.67 5.34 0.27 4.19 2.88 -1.26 -4.45 113.62 117.91 2kbx n SER 127 Ca 0.05 -3.29 -0.17 0.00 -1.33 0.00 0.00 58.87 54.13 2kbx n SER 127 Cb 0.48 -0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 62.96 2kbx n SER 127 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2kbx h ILE 128 N 0.86 0.08 -2.56 2.46 2.04 -1.83 -3.48 117.51 115.08 2kbx h ILE 128 Ca 0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.31 2kbx h ILE 128 Cb 1.60 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2kbx h ILE 128 CO 0.98 0.00 0.00 0.00 0.00 0.00 0.00 178.15 179.13 2kbx n ASN 130 N -0.14 0.00 0.31 0.00 5.03 -1.26 -4.47 115.26 114.73 2kbx n ASN 130 Ca 0.00 0.00 0.19 0.00 0.87 0.00 0.00 54.58 55.64 2kbx n ASN 130 Cb 0.00 0.00 1.01 0.00 -1.02 0.00 0.00 39.78 39.77 2kbx n ASN 130 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 2kbx h LYS 131 N 0.00 0.00 0.00 3.52 2.10 -1.91 -2.59 116.57 117.68 2kbx h LYS 131 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kbx h LYS 131 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2kbx h LYS 131 CO 0.00 0.02 -0.08 0.98 -2.00 0.00 0.00 179.45 178.37 2kbx n TYR 132 N -3.24 0.00 -0.90 0.07 9.36 -1.26 -4.95 117.16 116.24 2kbx n TYR 132 Ca -0.02 -0.25 0.00 0.00 3.32 0.00 0.00 57.90 60.95 2kbx n TYR 132 Cb 0.15 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 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 -0.29 0.54 3.55 2.98 0.00 -0.98 -4.92 105.19 106.07 2kbx n GLY 133 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 2kbx n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kbx n GLU 134 N -2.90 0.45 -3.93 1.61 4.71 -1.26 -4.40 120.64 114.92 2kbx n GLU 134 Ca 0.00 -0.65 -0.22 0.00 -0.01 0.00 0.00 57.16 56.28 2kbx n GLU 134 Cb 0.00 -3.10 -0.04 0.00 -1.01 0.00 0.00 31.44 27.28 2kbx n GLU 134 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2kbx s MET 135 N 8.50 2.64 0.29 3.49 -1.94 -1.26 -4.21 119.30 126.81 2kbx s MET 135 Ca 1.02 -1.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.64 2kbx s MET 135 Cb -0.29 -2.39 0.45 0.00 2.01 0.00 0.00 34.83 34.60 2kbx s MET 135 CO 0.19 0.13 1.94 -1.00 -0.01 0.00 0.00 175.02 176.27 2kbx h PRO 136 N 1.36 1.09 -0.94 2.03 0.13 -1.90 -0.69 132.00 133.08 2kbx h PRO 136 Ca -0.45 -0.07 0.22 0.00 -0.87 0.00 0.00 66.00 64.83 2kbx h PRO 136 Cb 1.25 -0.25 -0.07 0.00 0.13 0.00 0.00 31.00 32.06 2kbx h PRO 136 CO 0.60 0.72 0.62 0.28 -0.23 0.00 0.00 178.00 179.99 2kbx h VAL 137 N 1.12 0.65 0.05 1.56 2.07 -1.95 1.95 116.25 121.70 2kbx h VAL 137 Ca 0.35 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.64 2kbx h VAL 137 Cb 0.00 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2kbx h VAL 137 CO -0.10 0.08 -0.38 -0.78 0.02 0.00 0.00 177.57 176.41 2kbx h ASP 138 N 0.43 0.18 0.30 0.57 1.82 -1.51 -0.63 116.42 117.58 2kbx h ASP 138 Ca 0.50 -0.96 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2kbx h ASP 138 Cb 1.23 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2kbx h ASP 138 CO -0.21 1.18 0.00 0.11 -1.61 0.00 0.00 179.24 178.71 2kbx h LYS 139 N -0.76 0.00 0.00 0.28 1.79 -0.23 0.12 116.57 117.77 2kbx h LYS 139 Ca -0.07 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 2kbx h LYS 139 Cb 1.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 2kbx h LYS 139 CO 0.05 0.00 -1.47 0.00 -1.08 0.00 0.00 179.45 176.95 2kbx n ALA 140 N -1.92 2.43 1.05 3.86 0.00 0.65 -3.91 120.51 122.66 2kbx n ALA 140 Ca -0.01 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.11 2kbx n ALA 140 Cb 0.13 -0.91 0.30 0.00 0.00 0.00 0.00 19.45 18.96 2kbx n ALA 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kbx n LYS 141 N -2.60 0.14 0.05 0.00 4.81 -0.07 -2.65 118.16 117.84 2kbx n LYS 141 Ca -0.05 -0.08 -0.10 0.00 -0.87 0.00 0.00 58.31 57.21 2kbx n LYS 141 Cb 0.65 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.13 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kbx h ALA 142 N 3.12 -0.21 -0.34 3.14 0.00 -1.39 -3.18 119.26 120.40 2kbx h ALA 142 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kbx h ALA 142 Cb 0.50 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kbx h ALA 142 CO 0.00 -0.29 0.23 -1.00 0.00 0.00 0.00 179.25 178.19 2kbx h PRO 143 N -0.88 0.45 0.00 0.00 0.13 -1.77 -3.46 132.00 126.47 2kbx h PRO 143 Ca -0.02 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2kbx h PRO 143 Cb 0.52 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.55 2kbx h PRO 143 CO 0.04 0.30 0.00 -0.11 -0.23 0.00 0.00 178.00 177.99 2kbx n LEU 144 N -4.49 0.00 0.13 1.56 7.94 -1.20 -5.03 117.00 115.92 2kbx n LEU 144 Ca 0.02 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.80 2kbx n LEU 144 Cb 0.06 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.94 2kbx n LEU 144 CO 0.35 0.00 0.48 -0.09 -1.11 0.00 0.00 177.39 177.02 2kbx h ARG 145 N 0.00 -0.36 0.00 1.96 2.43 -1.78 -3.44 114.38 113.18 2kbx h ARG 145 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2kbx h ARG 145 Cb 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2kbx h ARG 145 CO 0.00 -0.02 0.00 -0.85 -1.51 0.00 0.00 179.97 177.59 2kbx n GLU 146 N -5.07 -0.26 -0.02 0.20 0.28 -1.24 -4.59 120.64 109.94 2kbx n GLU 146 Ca -0.09 0.02 -0.16 0.00 -0.16 0.00 0.00 57.16 56.77 2kbx n GLU 146 Cb 0.26 -2.28 -0.13 0.00 1.43 0.00 0.00 31.44 30.73 2kbx n GLU 146 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kbx h LEU 147 N 0.00 0.20 -0.79 -1.84 5.85 -1.91 -2.98 115.31 113.84 2kbx h LEU 147 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 2kbx h LEU 147 Cb 0.04 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2kbx h LEU 147 CO 0.00 1.09 0.00 0.17 -0.34 0.00 0.00 178.44 179.36 2kbx h LEU 148 N -0.66 0.00 -0.20 2.25 8.10 -1.97 -2.90 115.31 119.93 2kbx h LEU 148 Ca -0.05 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.86 2kbx h LEU 148 Cb 1.17 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.38 2kbx h LEU 148 CO 0.06 0.00 -0.18 0.03 -4.11 0.00 0.00 178.44 174.24 2kbx h ARG 149 N 0.00 0.47 -0.12 0.17 3.08 -1.88 0.48 114.38 116.59 2kbx h ARG 149 Ca 0.00 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.82 2kbx h ARG 149 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2kbx h ARG 149 CO 0.00 0.81 0.05 0.93 -1.07 0.00 0.00 179.97 180.69 2kbx h GLU 150 N 0.15 0.11 -0.01 0.04 4.39 -1.36 1.26 114.58 119.16 2kbx h GLU 150 Ca 0.03 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2kbx h GLU 150 Cb 0.72 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2kbx h GLU 150 CO 0.05 0.07 -0.15 -0.09 -1.16 0.00 0.00 179.01 177.73 2kbx h ARG 151 N 0.12 0.02 0.07 2.33 2.43 -1.38 0.34 114.38 118.30 2kbx h ARG 151 Ca 0.05 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 2kbx h ARG 151 Cb 0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2kbx h ARG 151 CO -0.04 0.18 -0.61 0.00 -1.51 0.00 0.00 179.97 177.99 2kbx h ALA 152 N 1.83 0.02 0.00 2.80 0.00 0.11 -3.28 119.26 120.73 2kbx h ALA 152 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2kbx h ALA 152 Cb 0.29 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kbx h ALA 152 CO 0.02 0.32 0.00 1.05 0.00 0.00 0.00 179.25 180.64 2kbx h GLU 153 N -0.68 0.00 0.00 0.00 4.11 0.17 -1.89 114.58 116.29 2kbx h GLU 153 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2kbx h GLU 153 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2kbx h GLU 153 CO 0.04 0.00 -0.02 1.17 0.07 0.00 0.00 179.01 180.27 2kbx n LYS 154 N -2.32 0.02 0.24 1.06 3.00 0.12 -2.69 118.16 117.59 2kbx n LYS 154 Ca 0.02 0.01 0.10 0.00 -0.00 0.00 0.00 58.31 58.45 2kbx n LYS 154 Cb 0.26 -1.52 0.60 0.00 0.00 0.00 0.00 35.03 34.37 2kbx n LYS 154 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 2kbx h MET 155 N 0.00 0.00 0.00 1.64 4.05 -1.41 -3.45 114.93 115.76 2kbx h MET 155 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kbx h MET 155 Cb 0.52 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 2kbx h MET 155 CO 0.00 0.19 0.00 0.41 0.23 0.00 0.00 176.91 177.74 2kbx n GLY 156 N -0.55 -0.59 0.23 1.39 0.00 -1.17 -5.00 105.19 99.50 2kbx n GLY 156 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2kbx n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kbx h GLN 157 N 0.00 0.00 0.00 1.61 1.08 -1.78 -3.36 115.11 112.66 2kbx h GLN 157 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kbx h GLN 157 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2kbx h GLN 157 CO 0.00 0.22 -0.78 0.09 -0.95 0.00 0.00 178.83 177.40 2kbx n ASN 158 N -3.41 3.40 -4.00 1.46 4.13 -1.09 -4.83 115.26 110.91 2kbx n ASN 158 Ca -0.00 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.83 2kbx n ASN 158 Cb 0.41 0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 2kbx n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kbx n LEU 159 N -2.07 6.31 -4.42 3.41 7.99 -1.22 -4.93 117.00 122.08 2kbx n LEU 159 Ca 0.00 -4.51 -0.41 0.00 -0.01 0.00 0.00 56.01 51.08 2kbx n LEU 159 Cb 0.39 -1.54 -0.11 0.00 -0.11 0.00 0.00 43.42 42.05 2kbx n LEU 159 CO 0.00 1.16 -0.13 0.54 -1.51 0.00 0.00 177.39 177.45 2kbx s ASN 160 N 1.69 5.85 0.86 -1.43 2.20 -1.26 -4.57 114.94 118.29 2kbx s ASN 160 Ca 0.42 -0.88 -0.14 0.00 -0.94 0.00 0.00 52.86 51.32 2kbx s ASN 160 Cb 0.07 -2.07 0.01 0.00 -2.00 0.00 0.00 41.25 37.26 2kbx s ASN 160 CO -0.00 -0.38 0.45 0.54 -2.94 0.00 0.00 177.10 174.77 2kbx n ARG 161 N 5.05 -0.05 -1.57 3.55 3.00 -1.26 -4.70 116.66 120.68 2kbx n ARG 161 Ca -0.12 0.03 -0.45 0.00 -0.01 0.00 0.00 57.85 57.30 2kbx n ARG 161 Cb 0.47 -1.85 -0.04 0.00 0.00 0.00 0.00 32.46 31.04 2kbx n ARG 161 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2kbx n ILE 162 N -3.12 0.34 -2.09 0.55 -6.64 -1.26 -4.91 119.36 102.23 2kbx n ILE 162 Ca 0.08 -0.38 -0.37 0.00 -1.77 0.00 0.00 62.75 60.31 2kbx n ILE 162 Cb 0.52 -2.30 0.01 0.00 -1.44 0.00 0.00 39.64 36.44 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2kbx s PRO 163 N 6.12 3.39 0.00 6.28 0.05 -1.26 -5.04 135.00 144.54 2kbx s PRO 163 Ca 1.02 1.88 0.00 0.00 0.05 0.00 0.00 61.00 63.95 2kbx s PRO 163 Cb -0.48 -2.22 0.00 0.00 0.05 0.00 0.00 34.50 31.84 2kbx s PRO 163 CO 0.40 -0.88 0.00 2.48 0.05 0.00 0.00 177.00 179.05 2kbx n TYR 164 N -0.94 0.00 -1.64 0.56 4.11 -1.26 -4.25 117.16 113.73 2kbx n TYR 164 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.95 2kbx n TYR 164 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.81 2kbx n TYR 164 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2kbx n LYS 165 N 0.00 -1.72 0.00 -3.48 2.85 -1.26 -4.80 118.16 109.75 2kbx n LYS 165 Ca 0.00 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 2kbx n LYS 165 Cb 0.00 -4.49 0.00 0.00 -0.65 0.00 0.00 35.03 29.89 2kbx n LYS 165 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kbx n ASP 166 N -0.30 0.00 -1.98 -5.58 2.03 -1.26 -4.70 116.55 104.76 2kbx n ASP 166 Ca -0.05 0.76 -0.04 0.00 0.52 0.00 0.00 54.79 55.99 2kbx n ASP 166 Cb 0.29 -0.26 0.05 0.00 -0.72 0.00 0.00 41.12 40.48 2kbx n ASP 166 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kbx n THR 167 N -1.54 0.00 0.00 5.18 -2.24 -1.26 -5.01 114.28 109.41 2kbx n THR 167 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2kbx n THR 167 Cb 0.00 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2kbx n THR 167 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2kbx n PHE 168 N -0.91 -0.76 0.00 4.78 1.16 -1.26 -4.79 117.46 115.68 2kbx n PHE 168 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.36 2kbx n PHE 168 Cb 0.80 0.43 0.00 0.00 -1.61 0.00 0.00 39.48 39.11 2kbx n PHE 168 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 2kbx n TRP 169 N -2.30 0.00 -0.24 2.97 7.02 -1.26 0.64 117.44 124.27 2kbx n TRP 169 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2kbx n TRP 169 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2kbx n TRP 169 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2kbx n LYS 170 N 0.00 1.59 0.00 -0.99 0.00 -1.26 -5.10 118.16 112.39 2kbx n LYS 170 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 58.31 58.20 2kbx n LYS 170 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 35.03 34.56 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81