#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 -4.98 116.55 124.83 2kbx n ASP 2 Ca 0.00 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.61 2kbx n ASP 2 Cb 0.00 0.91 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 2kbx n ASP 2 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2kbx n ASP 3 N -0.18 0.00 0.41 -2.24 5.75 -1.26 -1.74 116.55 117.29 2kbx n ASP 3 Ca 0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.66 2kbx n ASP 3 Cb 0.79 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.80 2kbx n ASP 3 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2kbx h ILE 4 N 0.00 0.00 -0.58 2.12 1.08 -1.99 -2.77 117.51 115.36 2kbx h ILE 4 Ca 0.00 -0.04 0.22 0.00 -0.39 0.00 0.00 64.86 64.66 2kbx h ILE 4 Cb 0.00 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.64 2kbx h ILE 4 CO 0.00 0.00 0.24 0.49 -0.69 0.00 0.00 178.15 178.19 2kbx n PHE 5 N -4.90 0.60 0.09 1.37 3.72 -0.71 0.14 117.46 117.76 2kbx n PHE 5 Ca -0.13 0.69 -0.04 0.00 -0.05 0.00 0.00 57.45 57.92 2kbx n PHE 5 Cb 0.41 -1.08 -0.02 0.00 -0.94 0.00 0.00 39.48 37.85 2kbx n PHE 5 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2kbx h THR 6 N 0.00 0.00 0.00 4.37 2.02 -1.20 -3.10 112.91 115.01 2kbx h THR 6 Ca 0.46 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2kbx h THR 6 Cb 1.16 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2kbx h THR 6 CO -0.47 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.42 2kbx n GLN 7 N -4.29 0.38 -0.07 6.66 -0.00 0.39 -3.30 117.38 117.14 2kbx n GLN 7 Ca -0.04 0.05 -0.22 0.00 -0.00 0.00 0.00 57.00 56.80 2kbx n GLN 7 Cb 0.11 -1.50 -0.12 0.00 -0.00 0.00 0.00 30.24 28.73 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 -4.18 0.31 0.00 0.00 0.00 -1.17 -2.71 116.66 108.90 2kbx n ARG 9 Ca -0.31 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.55 2kbx n ARG 9 Cb 0.78 -1.40 0.08 0.00 -0.00 0.00 0.00 32.46 31.91 2kbx n ARG 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2kbx n GLU 10 N -0.90 0.07 -0.33 2.89 1.02 -1.25 -4.68 120.64 117.46 2kbx n GLU 10 Ca 0.06 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2kbx n GLU 10 Cb 0.03 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2kbx n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kbx n GLY 11 N -0.89 0.68 2.48 0.62 0.00 -1.10 -4.93 105.19 102.06 2kbx n GLY 11 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2kbx n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kbx n ASN 12 N 0.00 6.85 0.21 1.61 2.04 -1.24 -4.65 115.26 120.08 2kbx n ASN 12 Ca 0.00 -2.56 0.01 0.00 -0.44 0.00 0.00 54.58 51.59 2kbx n ASN 12 Cb 0.00 -1.45 0.06 0.00 -2.53 0.00 0.00 39.78 35.86 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2kbx h ALA 13 N 5.60 1.57 0.00 -2.53 0.00 -1.92 3.30 119.26 125.29 2kbx h ALA 13 Ca 0.72 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.55 2kbx h ALA 13 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kbx h ALA 13 CO 1.74 -0.57 -0.39 -0.24 0.00 0.00 0.00 179.25 179.78 2kbx h VAL 14 N 0.00 0.79 0.20 0.00 3.04 -1.95 -2.97 116.25 115.36 2kbx h VAL 14 Ca 0.00 -1.74 -0.27 0.00 -1.01 0.00 0.00 66.70 63.67 2kbx h VAL 14 Cb 1.50 2.12 0.03 0.00 -2.01 0.00 0.00 31.29 32.93 2kbx h VAL 14 CO 0.00 0.39 -1.20 0.00 -1.01 0.00 0.00 177.57 175.75 2kbx h ALA 15 N 1.61 -0.12 -0.86 3.17 0.00 0.58 -2.14 119.26 121.49 2kbx h ALA 15 Ca -0.00 -0.79 0.01 0.00 0.00 0.00 0.00 54.91 54.13 2kbx h ALA 15 Cb 1.09 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2kbx h ALA 15 CO 0.05 0.56 0.57 -0.39 0.00 0.00 0.00 179.25 180.04 2kbx h VAL 16 N -0.04 1.20 -0.50 0.00 -1.51 -1.54 -1.26 116.25 112.60 2kbx h VAL 16 Ca -0.21 -0.39 -0.12 0.00 -1.23 0.00 0.00 66.70 64.75 2kbx h VAL 16 Cb 1.94 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 2kbx h VAL 16 CO 0.23 0.21 -0.15 -0.09 -1.23 0.00 0.00 177.57 176.53 2kbx h ARG 17 N 1.14 0.99 -0.33 5.19 1.12 -1.53 0.16 114.38 121.11 2kbx h ARG 17 Ca 0.32 -0.39 0.07 0.00 -1.11 0.00 0.00 59.98 58.87 2kbx h ARG 17 Cb -0.10 -0.05 -0.08 0.00 -0.01 0.00 0.00 29.97 29.73 2kbx h ARG 17 CO -0.08 1.07 -0.36 1.25 -3.11 0.00 0.00 179.97 178.74 2kbx h LEU 18 N 0.85 -1.19 0.07 3.80 5.85 -0.53 -1.15 115.31 123.00 2kbx h LEU 18 Ca 0.12 0.19 -0.29 0.00 0.84 0.00 0.00 57.88 58.74 2kbx h LEU 18 Cb 0.72 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2kbx h LEU 18 CO 0.06 -0.35 -1.53 4.11 -0.34 0.00 0.00 178.44 180.39 2kbx h TRP 19 N -0.32 0.25 0.00 1.25 5.08 -1.44 -3.23 115.95 117.54 2kbx h TRP 19 Ca 0.14 -0.18 -0.00 0.00 1.08 0.00 0.00 58.89 59.93 2kbx h TRP 19 Cb 0.56 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.71 2kbx h TRP 19 CO -0.54 1.24 -0.01 1.25 -1.28 0.00 0.00 178.44 179.11 2kbx h LEU 20 N 0.04 0.00 -2.39 0.11 6.46 -0.47 0.27 115.31 119.32 2kbx h LEU 20 Ca -0.23 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 2kbx h LEU 20 Cb 1.97 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.90 2kbx h LEU 20 CO 0.13 0.01 0.00 -0.67 -0.62 0.00 0.00 178.44 177.28 2kbx n ASP 21 N -4.43 3.52 -4.56 1.25 2.03 -0.45 -4.98 116.55 108.93 2kbx n ASP 21 Ca -0.03 -1.98 -0.53 0.00 0.52 0.00 0.00 54.79 52.77 2kbx n ASP 21 Cb 0.09 -0.36 -0.06 0.00 -0.72 0.00 0.00 41.12 40.07 2kbx n ASP 21 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kbx n ASN 22 N 1.46 1.04 0.00 1.67 2.04 0.08 -4.78 115.26 116.77 2kbx n ASN 22 Ca 0.21 1.13 0.08 0.00 -0.44 0.00 0.00 54.58 55.57 2kbx n ASN 22 Cb 0.58 -1.12 0.48 0.00 -2.53 0.00 0.00 39.78 37.19 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 1.94 0.00 -0.10 5.53 -2.24 -1.26 -3.09 114.28 115.05 2kbx n THR 23 Ca 0.18 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.85 2kbx n THR 23 Cb 0.18 -0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 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 0.89 -3.30 -0.78 1.02 -1.26 -5.04 120.64 111.38 2kbx n GLU 24 Ca 0.12 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.22 2kbx n GLU 24 Cb 0.06 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kbx n ASN 25 N -2.84 -6.86 0.00 1.62 5.03 -1.18 -4.93 115.26 106.11 2kbx n ASN 25 Ca -0.33 -0.36 0.00 0.00 0.87 0.00 0.00 54.58 54.76 2kbx n ASN 25 Cb 1.04 -4.15 0.00 0.00 -1.02 0.00 0.00 39.78 35.65 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 -2.05 0.00 0.00 6.41 8.00 -1.26 -4.71 116.55 122.94 2kbx n ASP 26 Ca -0.10 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2kbx n ASP 26 Cb 0.56 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.65 0.00 -1.16 0.64 4.32 -1.26 -1.96 117.00 114.92 2kbx n LEU 27 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 2kbx n LEU 27 Cb 0.12 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 2kbx n LEU 27 CO 0.00 -0.22 0.41 -3.20 -1.22 0.00 0.00 177.39 173.16 2kbx n ASN 28 N -1.17 2.37 -4.13 -1.43 5.15 -1.26 -4.81 115.26 109.98 2kbx n ASN 28 Ca 0.00 -1.47 -0.30 0.00 -0.60 0.00 0.00 54.58 52.21 2kbx n ASN 28 Cb 0.16 -0.43 0.20 0.00 -0.53 0.00 0.00 39.78 39.18 2kbx n ASN 28 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2kbx s GLN 29 N 0.42 -0.07 0.00 1.20 -1.52 -0.83 -4.75 119.66 114.11 2kbx s GLN 29 Ca 0.00 -0.12 0.00 0.00 -1.95 0.00 0.00 55.36 53.29 2kbx s GLN 29 Cb 0.00 -1.74 0.00 0.00 -0.22 0.00 0.00 33.01 31.05 2kbx s GLN 29 CO 0.00 -2.94 0.00 0.41 -0.25 0.00 0.00 175.29 172.51 2kbx n GLY 30 N -2.22 3.45 3.44 3.09 0.00 -1.26 -4.11 105.19 107.58 2kbx n GLY 30 Ca 0.13 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 2kbx n GLY 30 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kbx s ASP 31 N 1.00 2.51 0.46 1.61 -4.77 -0.58 -4.90 116.67 112.00 2kbx s ASP 31 Ca 0.00 -1.75 0.28 0.00 -3.30 0.00 0.00 52.55 47.78 2kbx s ASP 31 Cb 0.00 0.60 0.87 0.00 -1.09 0.00 0.00 42.92 43.30 2kbx s ASP 31 CO 0.00 -1.02 1.79 0.44 0.70 0.00 0.00 175.17 177.08 2kbx h ASP 32 N 1.86 0.00 0.07 2.11 3.32 -2.03 -2.62 116.42 119.13 2kbx h ASP 32 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2kbx h ASP 32 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2kbx h ASP 32 CO 0.47 0.00 -0.03 1.41 -1.72 0.00 0.00 179.24 179.37 2kbx n HIS 33 N -2.98 0.00 -1.23 4.55 8.25 -1.26 -4.88 115.22 117.67 2kbx n HIS 33 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2kbx n HIS 33 Cb 0.40 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 1.14 0.83 3.70 -1.41 0.00 -0.99 -4.49 105.19 103.98 2kbx n GLY 34 Ca 0.20 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 3.53 0.55 1.61 0.40 -1.26 -4.84 117.98 115.97 2kbx s PHE 35 Ca 0.00 1.22 0.01 0.00 -0.60 0.00 0.00 56.93 57.56 2kbx s PHE 35 Cb 0.00 -2.85 0.03 0.00 0.51 0.00 0.00 43.02 40.71 2kbx s PHE 35 CO 0.00 -0.01 0.77 -1.54 0.70 0.00 0.00 175.22 175.15 2kbx s SER 36 N 0.92 5.31 0.22 1.36 1.04 -1.26 -1.52 113.70 119.76 2kbx s SER 36 Ca 0.37 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.74 2kbx s SER 36 Cb -0.17 -0.94 0.18 0.00 0.10 0.00 0.00 66.02 65.18 2kbx s SER 36 CO 0.16 -1.12 1.87 1.55 0.98 0.00 0.00 173.24 176.68 2kbx h PRO 37 N 0.07 1.11 -0.91 4.02 0.13 -1.86 -1.22 132.00 133.35 2kbx h PRO 37 Ca -0.43 -0.10 0.15 0.00 -0.87 0.00 0.00 66.00 64.76 2kbx h PRO 37 Cb 1.29 -0.24 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 2kbx h PRO 37 CO 0.53 0.78 0.58 1.25 -0.23 0.00 0.00 178.00 180.91 2kbx h LEU 38 N 1.13 0.67 0.79 1.56 6.46 -1.94 0.25 115.31 124.23 2kbx h LEU 38 Ca 0.30 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 58.06 2kbx h LEU 38 Cb -0.06 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2kbx h LEU 38 CO -0.06 0.32 -0.38 0.45 -0.62 0.00 0.00 178.44 178.16 2kbx h HIS 39 N 0.70 -0.99 -0.59 1.25 3.86 -1.60 -1.48 115.15 116.30 2kbx h HIS 39 Ca 0.47 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.77 2kbx h HIS 39 Cb 0.76 0.33 -0.09 0.00 1.06 0.00 0.00 27.41 29.46 2kbx h HIS 39 CO -0.00 -0.61 0.06 -1.49 0.86 0.00 0.00 177.93 176.74 2kbx h TRP 40 N -1.16 0.07 -0.06 2.45 4.06 -1.07 -2.20 115.95 118.04 2kbx h TRP 40 Ca -0.11 0.04 0.02 0.00 2.06 0.00 0.00 58.89 60.90 2kbx h TRP 40 Cb 0.82 0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 28.98 2kbx h TRP 40 CO 0.03 -0.10 -0.49 0.00 -3.56 0.00 0.00 178.44 174.32 2kbx h ALA 41 N 1.51 -0.88 -0.83 1.49 0.00 -0.32 0.14 119.26 120.37 2kbx h ALA 41 Ca 0.31 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.35 2kbx h ALA 41 Cb 0.48 0.94 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 2kbx h ALA 41 CO -0.46 -1.04 0.28 0.00 0.00 0.00 0.00 179.25 178.03 2kbx h ARG 43 N 0.32 -0.11 0.15 0.00 3.08 -0.74 -3.20 114.38 113.88 2kbx h ARG 43 Ca 0.50 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.56 2kbx h ARG 43 Cb 0.91 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 2kbx h ARG 43 CO -0.54 0.02 -0.38 1.49 -1.07 0.00 0.00 179.97 179.49 2kbx h GLU 44 N -0.22 -0.57 0.00 0.04 4.22 0.10 -3.47 114.58 114.67 2kbx h GLU 44 Ca -0.01 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2kbx h GLU 44 Cb 0.19 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kbx h GLU 44 CO 0.02 -0.38 0.00 0.41 -2.18 0.00 0.00 179.01 176.88 2kbx n GLY 45 N -1.37 0.45 3.56 1.92 0.00 -0.46 -5.06 105.19 104.24 2kbx n GLY 45 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 2kbx n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbx s ARG 46 N 0.00 2.69 0.17 1.61 0.52 -1.26 -4.82 118.95 117.86 2kbx s ARG 46 Ca 0.00 -0.51 -0.21 0.00 -0.52 0.00 0.00 55.73 54.49 2kbx s ARG 46 Cb 0.00 -5.13 0.08 0.00 0.52 0.00 0.00 34.95 30.42 2kbx s ARG 46 CO 0.00 -3.29 1.62 1.03 0.02 0.00 0.00 175.30 174.68 2kbx h SER 47 N 10.88 -0.84 -0.08 0.23 0.87 -1.97 -2.60 113.55 120.03 2kbx h SER 47 Ca 0.13 0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 2kbx h SER 47 Cb 1.00 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 63.35 2kbx h SER 47 CO 1.24 -0.27 -0.25 0.00 -0.53 0.00 0.00 176.83 177.02 2kbx h ALA 48 N 0.96 -0.62 -0.91 6.23 0.00 -2.00 -1.50 119.26 121.42 2kbx h ALA 48 Ca 0.18 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.25 2kbx h ALA 48 Cb 0.48 0.79 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 2kbx h ALA 48 CO -0.49 -0.71 -0.24 1.55 0.00 0.00 0.00 179.25 179.35 2kbx n VAL 49 N -3.86 -0.39 0.27 0.00 3.14 -1.01 -0.18 118.33 116.30 2kbx n VAL 49 Ca -0.03 2.08 -0.18 0.00 -2.96 0.00 0.00 64.34 63.26 2kbx n VAL 49 Cb 0.17 -2.87 -0.10 0.00 -1.06 0.00 0.00 33.84 29.98 2kbx n VAL 49 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2kbx h VAL 50 N 0.00 0.03 -0.05 1.55 2.07 -0.96 0.21 116.25 119.11 2kbx h VAL 50 Ca 0.42 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.96 2kbx h VAL 50 Cb 0.65 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2kbx h VAL 50 CO -0.93 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 176.49 2kbx h GLU 51 N -0.97 -0.13 -0.56 1.57 4.81 -0.34 0.13 114.58 119.08 2kbx h GLU 51 Ca -0.05 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 2kbx h GLU 51 Cb 0.86 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 2kbx h GLU 51 CO -0.09 -0.09 0.38 0.52 -0.73 0.00 0.00 179.01 179.00 2kbx h MET 52 N -0.14 0.35 0.22 1.92 2.86 -0.38 -2.15 114.93 117.62 2kbx h MET 52 Ca 0.05 -0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.35 2kbx h MET 52 Cb 0.21 -0.08 0.03 0.00 0.06 0.00 0.00 31.60 31.82 2kbx h MET 52 CO -0.13 0.23 -1.51 1.25 1.06 0.00 0.00 176.91 177.82 2kbx h LEU 53 N 0.36 0.72 -0.87 1.22 5.85 -0.20 -2.82 115.31 119.56 2kbx h LEU 53 Ca 0.26 -0.93 0.23 0.00 0.84 0.00 0.00 57.88 58.28 2kbx h LEU 53 Cb 0.54 -0.23 -0.14 0.00 0.37 0.00 0.00 40.66 41.19 2kbx h LEU 53 CO -0.06 1.71 0.21 0.40 -0.34 0.00 0.00 178.44 180.35 2kbx h ILE 54 N 0.06 0.31 0.00 4.05 1.08 -0.10 0.28 117.51 123.19 2kbx h ILE 54 Ca -0.28 -0.07 -0.13 0.00 -0.39 0.00 0.00 64.86 64.00 2kbx h ILE 54 Cb 2.08 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 2kbx h ILE 54 CO 0.22 0.04 -0.84 0.24 -0.69 0.00 0.00 178.15 177.11 2kbx h MET 55 N 0.19 0.00 -0.97 2.37 2.86 -1.62 -3.27 114.93 114.50 2kbx h MET 55 Ca 0.54 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.36 2kbx h MET 55 Cb 1.09 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.65 2kbx h MET 55 CO -0.66 0.44 0.57 -0.09 1.06 0.00 0.00 176.91 178.22 2kbx h ARG 56 N 0.00 0.73 0.00 1.72 1.12 -0.17 -3.43 114.38 114.35 2kbx h ARG 56 Ca -0.06 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 2kbx h ARG 56 Cb 1.46 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.25 2kbx h ARG 56 CO 0.06 0.48 0.00 0.41 -3.11 0.00 0.00 179.97 177.81 2kbx n GLY 57 N -1.33 0.00 3.60 2.80 0.00 -1.12 -5.10 105.19 104.04 2kbx n GLY 57 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 3.26 0.45 4.61 0.00 -1.22 -5.09 121.76 123.78 2kbx s ALA 58 Ca 0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 2kbx s ALA 58 Cb 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 23.12 21.30 2kbx s ALA 58 CO 0.00 0.27 0.98 -0.98 0.00 0.00 0.00 175.76 176.03 2kbx s ARG 59 N 0.12 4.07 0.00 0.00 1.70 -1.26 -4.74 118.95 118.84 2kbx s ARG 59 Ca 0.02 1.18 0.30 0.00 -0.47 0.00 0.00 55.73 56.76 2kbx s ARG 59 Cb -0.13 -2.15 1.41 0.00 -0.57 0.00 0.00 34.95 33.51 2kbx s ARG 59 CO 0.02 -0.18 1.95 0.44 -1.08 0.00 0.00 175.30 176.45 2kbx n ILE 60 N -0.82 0.00 1.09 4.99 -0.00 -1.26 -3.46 119.36 119.90 2kbx n ILE 60 Ca 0.08 -0.10 0.14 0.00 -0.00 0.00 0.00 62.75 62.87 2kbx n ILE 60 Cb 0.54 -0.06 0.59 0.00 -0.00 0.00 0.00 39.64 40.71 2kbx n ILE 60 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2kbx n ASN 61 N -0.63 0.10 -4.58 7.28 5.03 -1.26 -4.72 115.26 116.48 2kbx n ASN 61 Ca 0.19 0.22 -0.45 0.00 0.87 0.00 0.00 54.58 55.41 2kbx n ASN 61 Cb 0.24 -0.33 -0.02 0.00 -1.02 0.00 0.00 39.78 38.65 2kbx n ASN 61 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2kbx n VAL 62 N -1.43 1.89 -3.81 2.41 0.24 -1.23 -4.98 118.33 111.42 2kbx n VAL 62 Ca 0.08 -0.47 -0.10 0.00 -2.04 0.00 0.00 64.34 61.81 2kbx n VAL 62 Cb 0.32 -0.92 -0.08 0.00 -1.47 0.00 0.00 33.84 31.69 2kbx n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kbx s MET 63 N -1.41 0.77 0.59 7.34 0.23 -1.26 -4.21 119.30 121.34 2kbx s MET 63 Ca 0.60 -0.66 -0.08 0.00 -1.03 0.00 0.00 55.69 54.52 2kbx s MET 63 Cb -0.73 0.32 -0.01 0.00 -1.53 0.00 0.00 34.83 32.88 2kbx s MET 63 CO 0.59 -0.24 0.93 -0.80 -2.03 0.00 0.00 175.02 173.47 2kbx s ASN 64 N -2.26 5.89 0.55 -1.18 0.01 -0.98 -4.84 114.94 112.12 2kbx s ASN 64 Ca -0.03 0.99 0.26 0.00 -0.71 0.00 0.00 52.86 53.37 2kbx s ASN 64 Cb 0.00 -2.06 1.46 0.00 0.41 0.00 0.00 41.25 41.06 2kbx s ASN 64 CO -0.05 -0.93 2.02 0.08 -1.51 0.00 0.00 177.10 176.70 2kbx h ARG 65 N -0.18 0.00 -1.37 -0.60 0.11 -1.92 -0.39 114.38 110.03 2kbx h ARG 65 Ca -0.45 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.27 2kbx h ARG 65 Cb 1.23 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.15 2kbx h ARG 65 CO 0.62 0.00 0.46 0.41 0.10 0.00 0.00 179.97 181.55 2kbx n GLY 66 N -1.56 4.16 3.05 0.08 0.00 -1.26 -4.92 105.19 104.74 2kbx n GLY 66 Ca 0.07 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.08 -6.87 -3.24 1.61 -0.08 -0.16 -5.00 116.55 102.88 2kbx n ASP 67 Ca 0.34 0.73 -0.03 0.00 -1.51 0.00 0.00 54.79 54.32 2kbx n ASP 67 Cb 0.69 -2.65 -0.04 0.00 2.34 0.00 0.00 41.12 41.46 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 -1.10 -0.55 0.39 1.67 1.11 -1.25 -4.82 116.67 112.11 2kbx s ASP 68 Ca -0.01 0.26 -0.07 0.00 0.18 0.00 0.00 52.55 52.92 2kbx s ASP 68 Cb 0.00 1.59 -0.05 0.00 1.07 0.00 0.00 42.92 45.53 2kbx s ASP 68 CO 0.23 -0.30 0.70 0.42 1.18 0.00 0.00 175.17 177.39 2kbx s THR 69 N 2.69 4.91 0.31 -1.27 -4.23 -1.26 -2.33 115.64 114.46 2kbx s THR 69 Ca 0.14 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.98 2kbx s THR 69 Cb -0.14 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 70.22 2kbx s THR 69 CO -0.23 -0.56 1.75 -0.65 -0.54 0.00 0.00 174.62 174.39 2kbx h PRO 70 N 1.04 0.65 -0.02 3.99 0.10 -1.85 -1.34 132.00 134.57 2kbx h PRO 70 Ca -0.47 -0.04 0.04 0.00 0.10 0.00 0.00 66.00 65.62 2kbx h PRO 70 Cb 1.20 -0.15 -0.05 0.00 0.10 0.00 0.00 31.00 32.10 2kbx h PRO 70 CO 0.64 0.43 -0.30 1.25 0.10 0.00 0.00 178.00 180.11 2kbx h LEU 71 N 0.67 -0.91 -0.00 2.35 5.85 -1.93 2.12 115.31 123.46 2kbx h LEU 71 Ca 0.60 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.44 2kbx h LEU 71 Cb 1.01 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2kbx h LEU 71 CO -0.42 -0.36 -0.11 0.45 -0.34 0.00 0.00 178.44 177.65 2kbx h HIS 72 N -0.44 -0.33 -0.21 1.25 3.86 -1.63 0.99 115.15 118.63 2kbx h HIS 72 Ca 0.07 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.35 2kbx h HIS 72 Cb 0.54 0.15 -0.06 0.00 1.06 0.00 0.00 27.41 29.09 2kbx h HIS 72 CO -0.34 -0.12 -0.21 -0.07 0.86 0.00 0.00 177.93 178.05 2kbx h LEU 73 N -0.14 -0.67 0.22 2.43 3.38 -1.11 1.83 115.31 121.24 2kbx h LEU 73 Ca 0.00 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2kbx h LEU 73 Cb 0.15 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2kbx h LEU 73 CO -0.08 -0.25 -0.44 0.00 0.09 0.00 0.00 178.44 177.76 2kbx h ALA 74 N 0.84 -0.86 -0.28 1.53 0.00 0.38 -1.20 119.26 119.67 2kbx h ALA 74 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2kbx h ALA 74 Cb 0.42 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2kbx h ALA 74 CO -0.35 -1.04 -0.01 0.00 0.00 0.00 0.00 179.25 177.85 2kbx h ALA 75 N -0.37 1.47 -0.82 0.00 0.00 0.15 -2.96 119.26 116.74 2kbx h ALA 75 Ca -0.00 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.89 2kbx h ALA 75 Cb 0.73 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 2kbx h ALA 75 CO -0.19 0.38 -0.22 1.03 0.00 0.00 0.00 179.25 180.24 2kbx h SER 76 N 0.41 -0.82 1.01 0.00 0.87 0.41 -0.70 113.55 114.73 2kbx h SER 76 Ca 0.09 0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.85 2kbx h SER 76 Cb 0.29 0.53 0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2kbx h SER 76 CO 0.01 -0.27 -0.49 0.45 -0.53 0.00 0.00 176.83 176.00 2kbx h HIS 77 N -0.01 -1.26 0.00 2.24 3.86 -1.35 -3.48 115.15 115.15 2kbx h HIS 77 Ca 0.38 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2kbx h HIS 77 Cb 0.60 0.42 0.00 0.00 1.06 0.00 0.00 27.41 29.49 2kbx h HIS 77 CO -0.66 -0.78 0.00 0.41 0.86 0.00 0.00 177.93 177.76 2kbx n GLY 78 N -1.67 1.10 3.55 2.45 0.00 -0.27 -5.07 105.19 105.29 2kbx n GLY 78 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.21 2.66 0.33 1.61 5.04 -1.26 -4.84 115.29 117.63 2kbx s HIS 79 Ca 0.00 -1.07 0.12 0.00 -1.54 0.00 0.00 55.06 52.57 2kbx s HIS 79 Cb 0.00 -4.66 1.04 0.00 0.04 0.00 0.00 32.58 29.00 2kbx s HIS 79 CO 0.00 -1.86 1.62 0.07 -2.34 0.00 0.00 174.74 172.23 2kbx h ARG 80 N 9.22 0.15 0.16 2.88 0.11 -1.95 -0.37 114.38 124.57 2kbx h ARG 80 Ca 0.25 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.33 2kbx h ARG 80 Cb 0.98 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.99 2kbx h ARG 80 CO 1.40 0.10 -0.39 0.22 0.10 0.00 0.00 179.97 181.40 2kbx h ASP 81 N 0.16 -1.13 -0.97 0.08 3.58 -2.01 -0.86 116.42 115.28 2kbx h ASP 81 Ca 0.71 0.12 0.06 0.00 0.42 0.00 0.00 57.03 58.35 2kbx h ASP 81 Cb 1.67 0.42 -0.06 0.00 1.72 0.00 0.00 39.33 43.07 2kbx h ASP 81 CO -0.71 -0.48 0.63 0.40 -2.88 0.00 0.00 179.24 176.20 2kbx h ILE 82 N -0.65 1.09 0.00 2.25 2.04 -1.48 -0.98 117.51 119.78 2kbx h ILE 82 Ca 0.02 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2kbx h ILE 82 Cb 0.66 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2kbx h ILE 82 CO -0.20 0.21 -0.06 0.58 0.00 0.00 0.00 178.15 178.67 2kbx h VAL 83 N 1.13 0.74 0.07 1.67 2.07 -0.68 -2.36 116.25 118.88 2kbx h VAL 83 Ca 0.41 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.54 2kbx h VAL 83 Cb 0.16 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2kbx h VAL 83 CO -0.16 0.06 -0.72 0.06 0.02 0.00 0.00 177.57 176.84 2kbx h GLN 84 N 0.00 0.16 0.00 1.57 3.07 0.15 -2.27 115.11 117.79 2kbx h GLN 84 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 58.65 58.47 2kbx h GLN 84 Cb 0.14 0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2kbx h GLN 84 CO 0.01 1.13 0.00 1.57 0.09 0.00 0.00 178.83 181.63 2kbx h LYS 85 N -0.63 0.00 0.07 0.06 2.10 -1.39 -1.92 116.57 114.86 2kbx h LYS 85 Ca -0.15 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.18 2kbx h LYS 85 Cb 1.42 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.72 2kbx h LYS 85 CO 0.04 0.00 -1.73 -0.07 -2.00 0.00 0.00 179.45 175.70 2kbx h LEU 86 N 0.00 0.22 -2.25 7.07 4.07 -1.49 -2.93 115.31 120.00 2kbx h LEU 86 Ca 0.00 -0.42 -0.01 0.00 0.08 0.00 0.00 57.88 57.52 2kbx h LEU 86 Cb 0.28 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 2kbx h LEU 86 CO 0.00 1.37 -0.05 -0.07 -1.08 0.00 0.00 178.44 178.61 2kbx h LEU 87 N 0.04 0.00 0.00 1.67 4.07 -0.73 -1.16 115.31 119.19 2kbx h LEU 87 Ca -0.31 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.59 2kbx h LEU 87 Cb 2.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.74 2kbx h LEU 87 CO 0.10 0.05 -1.78 0.00 -1.08 0.00 0.00 178.44 175.74 2kbx n GLN 88 N -3.67 0.65 -0.04 1.13 6.02 -0.98 -3.13 117.38 117.36 2kbx n GLN 88 Ca -0.02 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.69 2kbx n GLN 88 Cb 0.15 -1.61 -0.13 0.00 1.02 0.00 0.00 30.24 29.67 2kbx n GLN 88 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2kbx h TYR 89 N 0.00 0.25 0.00 1.08 -1.99 -1.22 -3.43 116.97 111.66 2kbx h TYR 89 Ca -0.08 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.47 2kbx h TYR 89 Cb 1.20 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.92 2kbx h TYR 89 CO 0.00 1.48 -0.89 0.36 -0.00 0.00 0.00 178.16 179.10 2kbx n LYS 90 N -4.15 1.78 -4.04 4.88 2.85 -0.50 -5.04 118.16 113.95 2kbx n LYS 90 Ca -0.26 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.63 2kbx n LYS 90 Cb 0.78 -0.95 -0.01 0.00 -0.65 0.00 0.00 35.03 34.21 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 -1.53 -2.37 -0.39 0.58 0.00 -0.86 -4.79 120.51 111.16 2kbx n ALA 91 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 2kbx n ALA 91 Cb 0.17 -2.31 0.12 0.00 0.00 0.00 0.00 19.45 17.44 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 -2.56 3.49 -0.08 0.00 5.75 -1.26 -4.15 116.55 117.75 2kbx n ASP 92 Ca -0.19 -2.99 -0.14 0.00 -0.01 0.00 0.00 54.79 51.46 2kbx n ASP 92 Cb 0.62 -0.71 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.71 1.31 0.00 2.12 2.10 -1.95 -2.12 117.51 119.68 2kbx h ILE 93 Ca 0.38 -1.54 0.00 0.00 1.08 0.00 0.00 64.86 64.78 2kbx h ILE 93 Cb 2.15 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 39.56 2kbx h ILE 93 CO 0.68 0.49 0.00 0.59 -1.08 0.00 0.00 178.15 178.83 2kbx n ASN 94 N -4.24 0.00 -4.08 2.19 3.02 -1.26 -4.50 115.26 106.39 2kbx n ASN 94 Ca -0.05 -0.23 -0.33 0.00 -0.03 0.00 0.00 54.58 53.94 2kbx n ASN 94 Cb 0.51 -0.25 -0.14 0.00 -0.61 0.00 0.00 39.78 39.28 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 -2.51 2.86 0.91 5.41 0.00 -0.80 -5.10 121.76 122.54 2kbx s ALA 95 Ca 0.30 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 50.05 2kbx s ALA 95 Cb 0.20 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2kbx s ALA 95 CO 0.44 -1.52 0.00 0.28 0.00 0.00 0.00 175.76 174.96 2kbx n VAL 96 N 4.44 0.00 0.00 0.00 0.31 -1.26 -4.78 118.33 117.04 2kbx n VAL 96 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2kbx n VAL 96 Cb 0.42 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 2kbx n VAL 96 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2kbx n ASN 97 N -2.89 0.00 0.00 4.52 5.03 -1.26 -5.01 115.26 115.65 2kbx n ASN 97 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2kbx n ASN 97 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -0.51 -0.00 3.52 0.28 -1.26 -4.64 120.64 118.03 2kbx n GLU 98 Ca 0.00 -0.40 0.07 0.00 -0.16 0.00 0.00 57.16 56.67 2kbx n GLU 98 Cb 0.00 -0.84 -0.09 0.00 1.43 0.00 0.00 31.44 31.94 2kbx n GLU 98 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2kbx n HIS 99 N -0.02 0.00 -1.17 -1.84 1.44 -1.26 -4.97 115.22 107.40 2kbx n HIS 99 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kbx n HIS 99 Cb 0.09 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.16 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kbx n GLY 100 N 1.38 1.05 3.52 -1.39 0.00 -1.26 -4.78 105.19 103.72 2kbx n GLY 100 Ca 0.02 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.58 6.63 0.32 1.61 0.02 -1.26 -4.80 114.94 114.88 2kbx s ASN 101 Ca 0.00 -1.89 -0.18 0.00 -1.02 0.00 0.00 52.86 49.77 2kbx s ASN 101 Cb 0.00 -2.50 -0.09 0.00 0.02 0.00 0.00 41.25 38.67 2kbx s ASN 101 CO 0.00 -1.26 0.79 -0.69 0.02 0.00 0.00 177.10 175.96 2kbx s VAL 102 N 3.87 4.57 0.33 1.60 1.01 -1.26 -4.54 120.40 125.99 2kbx s VAL 102 Ca 0.42 1.18 0.11 0.00 0.00 0.00 0.00 61.98 63.69 2kbx s VAL 102 Cb -0.01 -3.69 0.32 0.00 0.00 0.00 0.00 36.38 33.00 2kbx s VAL 102 CO -0.07 -0.11 1.72 -0.65 0.00 0.00 0.00 175.10 176.00 2kbx h PRO 103 N 2.49 0.52 0.00 2.72 0.11 -1.94 0.85 132.00 136.75 2kbx h PRO 103 Ca -0.48 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 2kbx h PRO 103 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2kbx h PRO 103 CO 0.64 0.34 -0.53 1.25 -0.21 0.00 0.00 178.00 179.50 2kbx h LEU 104 N 0.53 0.00 -0.11 2.35 5.85 -1.97 -2.33 115.31 119.63 2kbx h LEU 104 Ca 0.65 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.38 2kbx h LEU 104 Cb 1.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2kbx h LEU 104 CO -0.48 0.53 0.05 0.45 -0.34 0.00 0.00 178.44 178.65 2kbx h HIS 105 N 0.00 0.08 -0.18 1.25 3.86 -1.19 -1.83 115.15 117.15 2kbx h HIS 105 Ca -0.01 0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 2kbx h HIS 105 Cb 1.02 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.48 2kbx h HIS 105 CO 0.00 0.05 -0.71 0.10 0.86 0.00 0.00 177.93 178.22 2kbx h TYR 106 N 0.11 1.01 -0.73 2.45 -0.00 -1.55 -2.49 116.97 115.76 2kbx h TYR 106 Ca 0.05 -0.42 0.15 0.00 0.00 0.00 0.00 58.73 58.50 2kbx h TYR 106 Cb 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 36.73 36.48 2kbx h TYR 106 CO -0.10 1.24 0.23 0.00 -0.00 0.00 0.00 178.16 179.54 2kbx h ALA 107 N 0.65 0.98 0.00 0.10 0.00 -1.09 -0.69 119.26 119.20 2kbx h ALA 107 Ca -0.03 0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 2kbx h ALA 107 Cb 1.33 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 2kbx h ALA 107 CO 0.15 -0.28 -1.01 0.00 0.00 0.00 0.00 179.25 178.11 2kbx h PHE 109 N 0.00 0.00 0.00 0.00 3.57 -0.66 -3.26 116.94 116.58 2kbx h PHE 109 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2kbx h PHE 109 Cb 1.77 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.51 2kbx h PHE 109 CO 0.00 0.00 -0.89 0.91 -2.23 0.00 0.00 178.31 176.10 2kbx n TRP 110 N -4.24 0.00 0.00 0.41 7.02 -0.90 -5.06 117.44 114.67 2kbx n TRP 110 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2kbx n TRP 110 Cb 0.26 -0.44 0.00 0.00 -2.42 0.00 0.00 31.31 28.70 2kbx n TRP 110 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kbx n GLY 111 N 1.48 -0.34 3.33 6.99 0.00 -0.75 -5.13 105.19 110.77 2kbx n GLY 111 Ca -0.12 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 3.31 -0.06 1.61 -1.52 -0.60 -5.03 119.66 117.37 2kbx s GLN 112 Ca 0.00 -0.73 -0.07 0.00 -1.95 0.00 0.00 55.36 52.61 2kbx s GLN 112 Cb 0.00 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.19 2kbx s GLN 112 CO 0.00 0.19 -0.14 -0.40 -0.25 0.00 0.00 175.29 174.69 2kbx n ASP 113 N 3.57 0.91 -0.12 5.90 5.75 -1.26 -4.05 116.55 127.25 2kbx n ASP 113 Ca -0.18 0.15 -0.05 0.00 -0.01 0.00 0.00 54.79 54.69 2kbx n ASP 113 Cb 0.53 -0.52 0.01 0.00 -1.03 0.00 0.00 41.12 40.11 2kbx n ASP 113 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2kbx h GLN 114 N -0.40 -0.13 -0.57 0.11 5.75 -2.00 -0.26 115.11 117.61 2kbx h GLN 114 Ca 0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2kbx h GLN 114 Cb 0.40 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2kbx h GLN 114 CO 0.00 -0.09 0.30 -0.39 -2.65 0.00 0.00 178.83 176.00 2kbx h VAL 115 N -0.14 1.19 0.00 2.39 -1.51 -1.96 -1.79 116.25 114.43 2kbx h VAL 115 Ca 0.20 -0.51 -0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2kbx h VAL 115 Cb 0.45 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.09 2kbx h VAL 115 CO -0.50 0.21 -0.01 0.00 -1.23 0.00 0.00 177.57 176.05 2kbx h ALA 116 N 1.13 1.62 0.29 5.19 0.00 -1.37 -2.09 119.26 124.04 2kbx h ALA 116 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2kbx h ALA 116 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kbx h ALA 116 CO -0.03 0.01 -0.14 1.49 0.00 0.00 0.00 179.25 180.58 2kbx h GLU 117 N 0.00 -0.38 -0.21 0.00 4.81 -0.22 -2.63 114.58 115.95 2kbx h GLU 117 Ca -0.00 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2kbx h GLU 117 Cb 0.02 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2kbx h GLU 117 CO 0.00 -0.17 0.21 0.38 -0.73 0.00 0.00 179.01 178.70 2kbx h ASP 118 N -1.07 0.00 0.18 1.04 3.04 -1.26 0.45 116.42 118.81 2kbx h ASP 118 Ca -0.04 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.74 2kbx h ASP 118 Cb 0.38 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.67 2kbx h ASP 118 CO 0.07 0.00 -0.09 -0.07 -2.04 0.00 0.00 179.24 177.11 2kbx h LEU 119 N 0.00 -0.21 -1.40 0.15 3.38 -1.40 -2.45 115.31 113.37 2kbx h LEU 119 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kbx h LEU 119 Cb 0.52 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kbx h LEU 119 CO -0.00 0.32 0.00 1.62 0.09 0.00 0.00 178.44 180.47 2kbx h VAL 120 N -1.02 0.00 -0.01 1.22 3.04 -1.19 -0.19 116.25 118.10 2kbx h VAL 120 Ca -0.03 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2kbx h VAL 120 Cb 0.35 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2kbx h VAL 120 CO 0.04 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 176.59 2kbx n ALA 121 N -1.99 2.62 -0.01 3.17 0.00 0.16 -3.50 120.51 120.96 2kbx n ALA 121 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 2kbx n ALA 121 Cb 0.25 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.14 1.30 0.00 0.00 5.15 -0.08 -4.95 115.26 116.53 2kbx n ASN 122 Ca 0.20 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.53 2kbx n ASN 122 Cb 0.30 -0.34 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kbx n GLY 123 N 1.70 -0.98 0.00 8.20 0.00 -1.22 -5.00 105.19 107.88 2kbx n GLY 123 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 2kbx n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx n ALA 124 N 0.00 2.18 -1.16 4.61 0.00 -1.24 -5.01 120.51 119.89 2kbx n ALA 124 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.35 2kbx n ALA 124 Cb 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.04 2kbx n ALA 124 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kbx n LEU 125 N -1.43 -0.55 -0.20 0.00 -0.00 -1.26 -4.64 117.00 108.91 2kbx n LEU 125 Ca 0.08 0.97 0.12 0.00 -0.00 0.00 0.00 56.01 57.18 2kbx n LEU 125 Cb 0.26 -2.09 0.20 0.00 -0.00 0.00 0.00 43.42 41.80 2kbx n LEU 125 CO 0.22 -0.34 0.44 0.55 -0.00 0.00 0.00 177.39 178.26 2kbx n VAL 126 N -2.38 0.00 -0.82 1.47 3.14 -1.26 -4.07 118.33 114.41 2kbx n VAL 126 Ca -0.00 -0.11 -0.20 0.00 -2.96 0.00 0.00 64.34 61.07 2kbx n VAL 126 Cb 0.18 0.61 0.08 0.00 -1.06 0.00 0.00 33.84 33.65 2kbx n VAL 126 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2kbx n SER 127 N -0.85 5.42 0.25 6.55 2.88 -1.26 -4.53 113.62 122.08 2kbx n SER 127 Ca 0.09 -3.23 -0.14 0.00 -1.33 0.00 0.00 58.87 54.25 2kbx n SER 127 Cb 0.37 -0.90 -0.08 0.00 -0.75 0.00 0.00 64.21 62.85 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 0.44 -2.11 2.46 2.04 -1.83 -3.49 117.51 115.88 2kbx h ILE 128 Ca 0.42 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2kbx h ILE 128 Cb 1.50 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2kbx h ILE 128 CO 0.94 0.06 0.00 0.00 0.00 0.00 0.00 178.15 179.15 2kbx n ASN 130 N -0.11 -2.83 0.27 0.00 4.05 -1.26 -4.33 115.26 111.06 2kbx n ASN 130 Ca 0.00 -0.29 0.14 0.00 0.45 0.00 0.00 54.58 54.88 2kbx n ASN 130 Cb 0.00 -0.74 0.74 0.00 1.23 0.00 0.00 39.78 41.01 2kbx n ASN 130 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 2kbx h LYS 131 N -2.43 0.00 0.00 1.20 1.79 -1.87 0.27 116.57 115.54 2kbx h LYS 131 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2kbx h LYS 131 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2kbx h LYS 131 CO 0.17 0.00 -0.13 0.66 -1.08 0.00 0.00 179.45 179.06 2kbx n TYR 132 N -2.64 0.00 -1.01 -1.35 4.01 -1.26 -4.96 117.16 109.95 2kbx n TYR 132 Ca -0.02 -0.45 -0.00 0.00 -0.16 0.00 0.00 57.90 57.27 2kbx n TYR 132 Cb 0.27 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2kbx n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kbx n GLY 133 N -0.60 0.46 3.56 2.72 0.00 0.96 -4.92 105.19 107.37 2kbx n GLY 133 Ca 0.05 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.56 2.02 0.20 1.61 2.02 -1.26 -4.36 118.70 118.36 2kbx s GLU 134 Ca 0.00 0.31 0.10 0.00 0.02 0.00 0.00 54.97 55.39 2kbx s GLU 134 Cb 0.00 -4.84 -0.04 0.00 0.10 0.00 0.00 34.13 29.35 2kbx s GLU 134 CO 0.00 -3.90 -0.11 -1.64 0.02 0.00 0.00 175.26 169.63 2kbx s MET 135 N 8.10 1.98 0.46 1.61 -1.94 -1.26 -4.00 119.30 124.25 2kbx s MET 135 Ca 0.84 -1.37 0.19 0.00 -1.71 0.00 0.00 55.69 53.64 2kbx s MET 135 Cb -0.11 -2.08 1.17 0.00 2.01 0.00 0.00 34.83 35.82 2kbx s MET 135 CO 0.07 0.41 1.92 -1.35 -0.01 0.00 0.00 175.02 176.06 2kbx h PRO 136 N 2.74 0.29 -0.95 2.03 0.11 -1.90 -1.05 132.00 133.26 2kbx h PRO 136 Ca -0.46 -0.02 0.23 0.00 0.11 0.00 0.00 66.00 65.87 2kbx h PRO 136 Cb 1.22 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 2kbx h PRO 136 CO 0.55 0.19 0.51 0.28 -0.21 0.00 0.00 178.00 179.31 2kbx h VAL 137 N 0.29 0.52 0.00 3.15 2.07 -1.93 1.86 116.25 122.21 2kbx h VAL 137 Ca 0.37 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.62 2kbx h VAL 137 Cb 1.03 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2kbx h VAL 137 CO -0.10 0.09 -0.58 0.44 0.02 0.00 0.00 177.57 177.45 2kbx h ASP 138 N 0.51 0.00 0.14 0.57 5.19 -1.55 -1.96 116.42 119.31 2kbx h ASP 138 Ca 0.60 -0.72 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2kbx h ASP 138 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2kbx h ASP 138 CO -0.49 1.20 0.00 0.11 -3.12 0.00 0.00 179.24 176.93 2kbx h LYS 139 N -1.00 0.00 0.00 3.56 1.57 -1.06 0.25 116.57 119.89 2kbx h LYS 139 Ca -0.16 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.32 2kbx h LYS 139 Cb 1.09 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.35 2kbx h LYS 139 CO -0.09 0.00 -1.93 0.00 -0.57 0.00 0.00 179.45 176.85 2kbx n ALA 140 N -1.84 1.54 1.41 3.86 0.00 0.63 -4.02 120.51 122.09 2kbx n ALA 140 Ca -0.01 -0.95 0.14 0.00 0.00 0.00 0.00 53.44 52.61 2kbx n ALA 140 Cb 0.08 -0.62 0.46 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.92 1.58 -0.12 0.00 4.81 -0.32 -1.80 118.16 119.40 2kbx n LYS 141 Ca -0.22 -0.98 -0.25 0.00 -0.87 0.00 0.00 58.31 55.99 2kbx n LYS 141 Cb 1.07 -1.48 -0.11 0.00 0.02 0.00 0.00 35.03 34.53 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kbx n ALA 142 N 0.14 0.99 0.21 3.14 0.00 -0.08 -4.56 120.51 120.35 2kbx n ALA 142 Ca 0.17 -0.78 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 2kbx n ALA 142 Cb 0.38 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.95 -0.49 0.00 0.00 0.11 -1.75 -3.47 132.00 125.45 2kbx h PRO 143 Ca -0.52 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kbx h PRO 143 Cb 1.48 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.70 2kbx h PRO 143 CO -0.30 -0.24 0.00 1.47 -0.21 0.00 0.00 178.00 178.72 2kbx n LEU 144 N -5.25 0.00 0.00 2.35 -0.00 -1.25 -5.08 117.00 107.77 2kbx n LEU 144 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2kbx n LEU 144 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 2kbx n LEU 144 CO 0.34 0.00 0.28 -1.14 -0.00 0.00 0.00 177.39 176.87 2kbx n ARG 145 N 0.00 0.00 0.00 1.47 3.00 -1.06 -4.73 116.66 115.34 2kbx n ARG 145 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2kbx n ARG 145 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 32.46 31.39 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 -0.85 0.00 0.00 -0.14 -0.58 -0.75 -4.73 120.64 113.60 2kbx n GLU 146 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2kbx n GLU 146 Cb 0.00 -2.51 -0.09 0.00 -0.57 0.00 0.00 31.44 28.28 2kbx n GLU 146 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2kbx h LEU 147 N 0.00 -0.09 -0.53 -4.62 4.07 -1.87 -2.75 115.31 109.52 2kbx h LEU 147 Ca 0.00 -0.51 0.00 0.00 0.08 0.00 0.00 57.88 57.45 2kbx h LEU 147 Cb 0.00 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2kbx h LEU 147 CO 0.00 0.55 0.00 0.00 -1.08 0.00 0.00 178.44 177.91 2kbx n LEU 148 N -4.82 0.45 -0.04 1.67 -0.00 -1.26 -2.33 117.00 110.67 2kbx n LEU 148 Ca -0.08 0.62 -0.14 0.00 -0.00 0.00 0.00 56.01 56.42 2kbx n LEU 148 Cb 0.29 -0.57 -0.09 0.00 -0.00 0.00 0.00 43.42 43.06 2kbx n LEU 148 CO 0.27 -0.50 0.55 -0.09 -0.00 0.00 0.00 177.39 177.62 2kbx h ARG 149 N 0.00 0.22 -0.35 1.47 1.12 -1.88 -1.18 114.38 113.78 2kbx h ARG 149 Ca 0.00 -0.14 0.03 0.00 -1.11 0.00 0.00 59.98 58.76 2kbx h ARG 149 Cb 0.29 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.24 2kbx h ARG 149 CO 0.00 0.73 0.17 0.93 -3.11 0.00 0.00 179.97 178.68 2kbx h GLU 150 N -0.26 0.34 -0.85 0.20 4.39 -1.17 1.32 114.58 118.55 2kbx h GLU 150 Ca 0.00 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.82 2kbx h GLU 150 Cb 0.72 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.20 2kbx h GLU 150 CO 0.03 0.22 0.45 0.00 -1.16 0.00 0.00 179.01 178.56 2kbx h ARG 151 N 0.35 0.66 0.21 2.33 2.47 -1.42 0.57 114.38 119.55 2kbx h ARG 151 Ca 0.15 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 2kbx h ARG 151 Cb 0.07 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2kbx h ARG 151 CO -0.11 0.44 -0.10 0.00 0.56 0.00 0.00 179.97 180.75 2kbx h ALA 152 N 1.53 -0.29 0.00 0.04 0.00 0.17 -2.05 119.26 118.66 2kbx h ALA 152 Ca 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2kbx h ALA 152 Cb 0.58 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kbx h ALA 152 CO -0.33 -0.40 0.20 -1.91 0.00 0.00 0.00 179.25 176.81 2kbx n GLU 153 N -5.00 0.06 0.00 0.00 4.07 0.44 0.19 120.64 120.40 2kbx n GLU 153 Ca -0.08 0.48 0.09 0.00 -0.06 0.00 0.00 57.16 57.59 2kbx n GLU 153 Cb 0.26 -1.89 0.06 0.00 -0.06 0.00 0.00 31.44 29.81 2kbx n GLU 153 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2kbx n LYS 154 N -1.78 1.60 0.17 5.31 3.00 0.19 -4.10 118.16 122.56 2kbx n LYS 154 Ca -0.01 -1.42 0.11 0.00 -0.00 0.00 0.00 58.31 56.99 2kbx n LYS 154 Cb 0.22 -1.35 0.59 0.00 0.00 0.00 0.00 35.03 34.48 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 3.24 0.00 0.00 1.64 4.05 0.28 -3.44 114.93 120.70 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 0.74 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2kbx h MET 155 CO 0.00 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.55 2kbx n GLY 156 N -1.28 0.51 0.91 1.39 0.00 -1.26 -4.92 105.19 100.54 2kbx n GLY 156 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2kbx n GLY 156 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kbx n GLN 157 N -2.00 2.21 -0.02 1.61 1.13 -1.26 -4.42 117.38 114.63 2kbx n GLN 157 Ca 0.00 -1.81 -0.03 0.00 -1.94 0.00 0.00 57.00 53.22 2kbx n GLN 157 Cb 0.00 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 28.87 2kbx n GLN 157 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2kbx n ASN 158 N 1.06 0.59 -3.89 1.08 2.85 -1.26 -4.80 115.26 110.90 2kbx n ASN 158 Ca 0.17 0.03 -0.39 0.00 -0.11 0.00 0.00 54.58 54.29 2kbx n ASN 158 Cb 0.51 -0.09 -0.07 0.00 1.24 0.00 0.00 39.78 41.38 2kbx n ASN 158 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kbx n LEU 159 N -3.09 3.35 -4.83 1.20 -0.00 -1.26 -4.87 117.00 107.51 2kbx n LEU 159 Ca -0.06 -2.78 -0.33 0.00 -0.00 0.00 0.00 56.01 52.83 2kbx n LEU 159 Cb 0.55 -1.22 -0.06 0.00 -0.00 0.00 0.00 43.42 42.69 2kbx n LEU 159 CO 0.01 -1.06 -0.21 0.54 -0.00 0.00 0.00 177.39 176.67 2kbx s ASN 160 N 5.75 5.98 0.76 1.45 6.03 -1.26 -5.00 114.94 128.64 2kbx s ASN 160 Ca 0.63 0.24 -0.16 0.00 -1.03 0.00 0.00 52.86 52.54 2kbx s ASN 160 Cb 0.10 -1.80 -0.04 0.00 -3.03 0.00 0.00 41.25 36.49 2kbx s ASN 160 CO 0.15 0.28 0.43 0.54 -2.03 0.00 0.00 177.10 176.47 2kbx n ARG 161 N 1.18 0.19 -1.53 3.55 1.74 -1.26 -4.68 116.66 115.85 2kbx n ARG 161 Ca -0.13 0.10 -0.45 0.00 -0.77 0.00 0.00 57.85 56.61 2kbx n ARG 161 Cb 0.53 -1.76 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 2kbx n ARG 161 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2kbx n ILE 162 N -2.52 0.22 -2.39 0.55 0.00 -1.26 -4.89 119.36 109.07 2kbx n ILE 162 Ca 0.09 -0.42 -0.42 0.00 0.00 0.00 0.00 62.75 62.00 2kbx n ILE 162 Cb 0.51 -2.19 -0.03 0.00 0.00 0.00 0.00 39.64 37.93 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2kbx s PRO 163 N 6.66 4.34 0.00 9.51 0.05 -1.26 -4.77 135.00 149.53 2kbx s PRO 163 Ca 1.05 1.77 0.00 0.00 0.05 0.00 0.00 61.00 63.87 2kbx s PRO 163 Cb -0.54 -3.54 0.00 0.00 0.05 0.00 0.00 34.50 30.47 2kbx s PRO 163 CO 0.40 -0.47 0.17 2.48 0.05 0.00 0.00 177.00 179.63 2kbx n TYR 164 N 5.13 0.00 -0.56 0.56 4.11 -1.26 -4.95 117.16 120.19 2kbx n TYR 164 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 2kbx n TYR 164 Cb 0.45 0.17 0.00 0.00 -0.00 0.00 0.00 39.34 39.97 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 0.00 0.00 -3.48 -0.00 -1.26 -5.05 118.16 108.37 2kbx n LYS 165 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2kbx n LYS 165 Cb 0.24 -0.25 0.00 0.00 -0.00 0.00 0.00 35.03 35.02 2kbx n LYS 165 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kbx n ASP 166 N 0.00 0.00 -2.74 -5.58 2.03 -1.26 -0.98 116.55 108.02 2kbx n ASP 166 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2kbx n ASP 166 Cb 0.13 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.62 2kbx n ASP 166 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2kbx n THR 167 N 0.00 0.53 0.00 5.18 -1.04 -1.26 -5.00 114.28 112.69 2kbx n THR 167 Ca 0.00 -1.84 0.00 0.00 -2.04 0.00 0.00 64.05 60.17 2kbx n THR 167 Cb 0.00 1.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.63 2kbx n THR 167 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2kbx n PHE 168 N -1.11 0.00 0.00 -1.42 3.72 -0.15 -4.44 117.46 114.06 2kbx n PHE 168 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2kbx n PHE 168 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 2kbx n PHE 168 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 2kbx n TRP 169 N -0.73 0.00 -2.63 1.38 7.02 -1.26 0.34 117.44 121.56 2kbx n TRP 169 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 2kbx n TRP 169 Cb 0.00 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 28.92 2kbx n TRP 169 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2kbx n LYS 170 N 0.00 1.79 -0.58 -0.99 4.76 -1.26 -5.26 118.16 116.63 2kbx n LYS 170 Ca 0.00 -3.57 0.00 0.00 -2.87 0.00 0.00 58.31 51.87 2kbx n LYS 170 Cb 0.00 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44