#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 0.00 0.00 3.17 5.68 -1.26 -4.96 116.55 119.18 2kbx n ASP 2 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 2kbx n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2kbx n ASP 2 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2kbx n ASP 3 N 0.00 0.00 -0.08 -1.12 8.00 -1.26 0.20 116.55 122.29 2kbx n ASP 3 Ca 0.00 0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.76 2kbx n ASP 3 Cb 0.02 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.18 -0.62 0.53 3.07 -1.96 0.18 117.51 119.89 2kbx h ILE 4 Ca 0.00 -0.52 0.07 0.00 1.55 0.00 0.00 64.86 65.97 2kbx h ILE 4 Cb 0.00 0.55 -0.06 0.00 -0.27 0.00 0.00 36.82 37.04 2kbx h ILE 4 CO 0.00 0.21 0.29 0.15 -1.05 0.00 0.00 178.15 177.75 2kbx h PHE 5 N 0.71 0.53 0.04 0.16 3.04 -1.85 1.05 116.94 120.62 2kbx h PHE 5 Ca 0.18 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.04 2kbx h PHE 5 Cb 0.10 -0.14 0.01 0.00 2.56 0.00 0.00 35.95 38.48 2kbx h PHE 5 CO 0.01 0.20 -0.46 1.15 -2.02 0.00 0.00 178.31 177.19 2kbx h THR 6 N 0.53 1.55 0.00 4.41 2.02 0.29 -2.93 112.91 118.78 2kbx h THR 6 Ca 0.30 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2kbx h THR 6 Cb 0.28 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 2kbx h THR 6 CO -0.24 0.62 0.00 1.67 0.37 0.00 0.00 175.52 177.94 2kbx n GLN 7 N -4.34 0.17 -0.06 6.66 7.27 0.58 -2.16 117.38 125.50 2kbx n GLN 7 Ca -0.11 0.17 -0.04 0.00 0.07 0.00 0.00 57.00 57.10 2kbx n GLN 7 Cb 0.64 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.77 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kbx n ARG 9 N -4.24 0.36 0.00 0.00 -4.01 -1.12 -2.51 116.66 105.15 2kbx n ARG 9 Ca -0.05 0.02 0.04 0.00 -1.04 0.00 0.00 57.85 56.82 2kbx n ARG 9 Cb 0.20 -1.50 0.23 0.00 -3.04 0.00 0.00 32.46 28.35 2kbx n ARG 9 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2kbx n GLU 10 N -1.04 0.30 -0.33 2.89 2.13 -0.92 -4.65 120.64 119.02 2kbx n GLU 10 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2kbx n GLU 10 Cb 0.05 -1.41 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 -0.36 0.81 2.37 8.31 0.00 -1.05 -4.93 105.19 110.35 2kbx n GLY 11 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 5.71 0.08 1.61 5.03 -1.10 -4.60 115.26 121.99 2kbx n ASN 12 Ca 0.00 -2.36 0.12 0.00 0.87 0.00 0.00 54.58 53.21 2kbx n ASN 12 Cb 0.00 -1.22 0.19 0.00 -1.02 0.00 0.00 39.78 37.73 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kbx n ALA 13 N 3.52 0.44 0.11 5.41 0.00 -1.26 0.40 120.51 129.13 2kbx n ALA 13 Ca 0.50 0.15 -0.02 0.00 0.00 0.00 0.00 53.44 54.08 2kbx n ALA 13 Cb 0.34 -0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.53 2kbx n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2kbx h VAL 14 N 0.00 1.32 -0.00 0.00 -1.51 -1.94 -3.01 116.25 111.11 2kbx h VAL 14 Ca 0.22 -2.68 -0.25 0.00 -1.23 0.00 0.00 66.70 62.75 2kbx h VAL 14 Cb 2.37 2.53 0.02 0.00 -2.13 0.00 0.00 31.29 34.08 2kbx h VAL 14 CO -0.00 0.71 -0.98 0.00 -1.23 0.00 0.00 177.57 176.07 2kbx h ALA 15 N 1.27 0.12 -0.59 5.19 0.00 0.74 -1.93 119.26 124.06 2kbx h ALA 15 Ca -0.01 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.24 2kbx h ALA 15 Cb 1.47 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 2kbx h ALA 15 CO 0.09 0.64 0.38 -0.39 0.00 0.00 0.00 179.25 179.98 2kbx h VAL 16 N 0.33 1.13 -0.91 0.00 -1.51 -1.51 -0.95 116.25 112.82 2kbx h VAL 16 Ca -0.12 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2kbx h VAL 16 Cb 1.64 0.29 -0.04 0.00 -2.13 0.00 0.00 31.29 31.05 2kbx h VAL 16 CO 0.19 0.14 0.58 -0.09 -1.23 0.00 0.00 177.57 177.16 2kbx h ARG 17 N 0.77 1.22 -0.23 5.19 9.65 -1.48 0.48 114.38 129.98 2kbx h ARG 17 Ca 0.22 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 2kbx h ARG 17 Cb -0.06 -0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 28.20 2kbx h ARG 17 CO -0.06 0.84 -0.44 1.25 2.80 0.00 0.00 179.97 184.36 2kbx h LEU 18 N 1.25 -1.42 0.00 3.80 5.85 -0.35 -2.10 115.31 122.34 2kbx h LEU 18 Ca 0.33 0.18 -0.27 0.00 0.84 0.00 0.00 57.88 58.96 2kbx h LEU 18 Cb -0.09 0.57 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 2kbx h LEU 18 CO -0.07 -0.35 -1.60 4.11 -0.34 0.00 0.00 178.44 180.19 2kbx h TRP 19 N -0.38 0.00 -0.62 1.25 5.08 -1.41 -3.33 115.95 116.54 2kbx h TRP 19 Ca 0.04 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.15 2kbx h TRP 19 Cb 0.50 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.62 2kbx h TRP 19 CO -0.64 0.93 0.42 1.25 -1.28 0.00 0.00 178.44 179.13 2kbx h LEU 20 N 0.00 0.20 -2.90 0.11 6.46 0.04 0.46 115.31 119.68 2kbx h LEU 20 Ca -0.25 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.43 2kbx h LEU 20 Cb 1.93 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.78 2kbx h LEU 20 CO 0.08 0.11 0.12 -0.67 -0.62 0.00 0.00 178.44 177.46 2kbx n ASP 21 N -4.43 4.93 -4.72 1.25 2.03 -0.80 -4.86 116.55 109.95 2kbx n ASP 21 Ca 0.11 -2.51 -0.38 0.00 0.52 0.00 0.00 54.79 52.53 2kbx n ASP 21 Cb 0.54 -0.94 -0.06 0.00 -0.72 0.00 0.00 41.12 39.94 2kbx n ASP 21 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kbx s ASN 22 N 1.19 6.76 0.00 1.67 0.02 0.15 -4.93 114.94 119.79 2kbx s ASN 22 Ca 0.09 0.90 0.16 0.00 -1.02 0.00 0.00 52.86 52.99 2kbx s ASN 22 Cb 0.08 -2.32 0.64 0.00 0.02 0.00 0.00 41.25 39.66 2kbx s ASN 22 CO 0.00 -0.03 1.45 1.07 0.02 0.00 0.00 177.10 179.61 2kbx n THR 23 N 3.72 0.21 0.09 1.60 5.66 -1.26 -3.73 114.28 120.58 2kbx n THR 23 Ca -0.06 -0.27 -0.13 0.00 -3.05 0.00 0.00 64.05 60.54 2kbx n THR 23 Cb 0.51 0.17 -0.13 0.00 -1.55 0.00 0.00 70.33 69.33 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 1.51 0.18 -6.54 1.09 5.08 -1.96 -3.48 114.58 110.45 2kbx h GLU 24 Ca 0.00 -0.30 -0.51 0.00 -1.00 0.00 0.00 59.36 57.55 2kbx h GLU 24 Cb 0.33 0.11 0.04 0.00 0.50 0.00 0.00 28.75 29.74 2kbx h GLU 24 CO 0.00 1.14 -0.97 0.09 -1.00 0.00 0.00 179.01 178.27 2kbx n ASN 25 N -3.47 -4.65 0.03 1.42 5.03 -1.24 -4.77 115.26 107.61 2kbx n ASN 25 Ca -0.06 -1.14 0.00 0.00 0.87 0.00 0.00 54.58 54.25 2kbx n ASN 25 Cb 1.00 -2.63 0.00 0.00 -1.02 0.00 0.00 39.78 37.13 2kbx n ASN 25 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kbx n ASP 26 N -2.46 -0.46 0.00 6.41 -0.08 -1.26 -4.89 116.55 113.81 2kbx n ASP 26 Ca -0.11 0.12 -0.17 0.00 -1.51 0.00 0.00 54.79 53.13 2kbx n ASP 26 Cb 0.58 0.73 -0.14 0.00 2.34 0.00 0.00 41.12 44.63 2kbx n ASP 26 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2kbx h LEU 27 N 0.00 0.28 -0.90 -2.67 3.38 -2.00 -3.31 115.31 110.08 2kbx h LEU 27 Ca 0.00 -0.59 0.15 0.00 0.09 0.00 0.00 57.88 57.53 2kbx h LEU 27 Cb 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2kbx h LEU 27 CO 0.00 1.53 0.98 -1.13 0.09 0.00 0.00 178.44 179.91 2kbx h ASN 28 N 0.05 0.00 -0.26 -0.43 -1.24 -1.90 -3.40 115.58 108.39 2kbx h ASN 28 Ca -0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.65 2kbx h ASN 28 Cb 2.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.08 2kbx h ASN 28 CO 0.09 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.23 2kbx n GLN 29 N -3.02 0.82 0.00 6.67 6.02 -1.25 -4.67 117.38 121.95 2kbx n GLN 29 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2kbx n GLN 29 Cb 1.15 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.41 2kbx n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kbx n GLY 30 N 0.00 0.83 2.90 1.08 0.00 0.03 -4.56 105.19 105.47 2kbx n GLY 30 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2kbx n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kbx n ASP 31 N 0.00 0.56 0.05 1.61 9.92 -0.81 -4.92 116.55 122.96 2kbx n ASP 31 Ca 0.00 -2.91 0.12 0.00 -0.53 0.00 0.00 54.79 51.47 2kbx n ASP 31 Cb 0.00 1.10 0.49 0.00 -0.64 0.00 0.00 41.12 42.07 2kbx n ASP 31 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2kbx n ASP 32 N -1.68 0.32 0.00 -2.24 5.68 -1.26 -2.40 116.55 114.97 2kbx n ASP 32 Ca -0.01 0.54 0.09 0.00 -0.50 0.00 0.00 54.79 54.91 2kbx n ASP 32 Cb 0.53 -0.63 0.53 0.00 -1.14 0.00 0.00 41.12 40.42 2kbx n ASP 32 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2kbx n HIS 33 N -1.82 0.00 -0.15 2.11 -0.00 -1.26 -4.77 115.22 109.33 2kbx n HIS 33 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2kbx n HIS 33 Cb 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 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 0.41 0.58 3.69 1.57 0.00 -1.01 -4.33 105.19 106.10 2kbx n GLY 34 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 2kbx n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kbx n PHE 35 N -2.00 2.30 -3.73 1.61 3.72 -1.22 -4.65 117.46 113.49 2kbx n PHE 35 Ca 0.00 0.42 -0.22 0.00 -0.05 0.00 0.00 57.45 57.60 2kbx n PHE 35 Cb 0.00 -2.48 -0.04 0.00 -0.94 0.00 0.00 39.48 36.02 2kbx n PHE 35 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2kbx s SER 36 N 0.24 4.88 0.03 4.37 0.01 -1.26 -0.79 113.70 121.17 2kbx s SER 36 Ca 0.65 -0.83 -0.25 0.00 1.31 0.00 0.00 55.95 56.83 2kbx s SER 36 Cb -0.61 -0.56 -0.18 0.00 0.21 0.00 0.00 66.02 64.89 2kbx s SER 36 CO 0.51 -0.61 1.42 1.55 0.41 0.00 0.00 173.24 176.52 2kbx h PRO 37 N 1.15 -0.15 -0.99 12.44 0.13 -1.83 -2.77 132.00 139.97 2kbx h PRO 37 Ca -0.42 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 64.94 2kbx h PRO 37 Cb 1.26 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 2kbx h PRO 37 CO 0.61 0.13 0.62 -0.07 -0.23 0.00 0.00 178.00 179.06 2kbx h LEU 38 N -0.43 0.63 0.19 1.56 3.38 -1.95 0.14 115.31 118.82 2kbx h LEU 38 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kbx h LEU 38 Cb 0.35 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kbx h LEU 38 CO 0.03 0.20 -0.11 0.45 0.09 0.00 0.00 178.44 179.09 2kbx h HIS 39 N 0.60 -0.30 -0.61 1.13 3.86 -1.90 1.49 115.15 119.42 2kbx h HIS 39 Ca 0.57 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.90 2kbx h HIS 39 Cb 1.11 0.11 -0.11 0.00 1.06 0.00 0.00 27.41 29.58 2kbx h HIS 39 CO -0.00 -0.17 -0.06 -1.49 0.86 0.00 0.00 177.93 177.07 2kbx h TRP 40 N -0.28 -0.15 0.18 2.45 4.06 -1.21 -1.32 115.95 119.68 2kbx h TRP 40 Ca -0.02 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2kbx h TRP 40 Cb 0.22 0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 2kbx h TRP 40 CO 0.06 -0.20 -0.16 0.00 -3.56 0.00 0.00 178.44 174.58 2kbx h ALA 41 N 1.58 -0.34 -1.10 1.49 0.00 -0.47 -1.12 119.26 119.30 2kbx h ALA 41 Ca 0.31 -0.05 0.32 0.00 0.00 0.00 0.00 54.91 55.49 2kbx h ALA 41 Cb 0.50 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2kbx h ALA 41 CO -0.56 -0.71 0.85 0.00 0.00 0.00 0.00 179.25 178.83 2kbx h ARG 43 N 0.00 -0.18 0.70 0.00 2.43 -0.75 -3.37 114.38 113.21 2kbx h ARG 43 Ca 0.52 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.67 2kbx h ARG 43 Cb 2.22 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.80 2kbx h ARG 43 CO -0.01 0.08 -0.44 0.93 -1.51 0.00 0.00 179.97 179.02 2kbx h GLU 44 N -1.01 -1.03 0.00 0.20 5.08 -0.53 -3.47 114.58 113.82 2kbx h GLU 44 Ca -0.02 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2kbx h GLU 44 Cb 0.34 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2kbx h GLU 44 CO 0.03 -0.69 0.00 0.41 -1.00 0.00 0.00 179.01 177.76 2kbx n GLY 45 N -1.56 0.49 3.55 -3.84 0.00 0.49 -5.05 105.19 99.27 2kbx n GLY 45 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 0.62 -0.04 1.61 3.00 -1.25 -4.77 116.66 115.83 2kbx n ARG 46 Ca 0.00 -0.56 -0.08 0.00 -0.01 0.00 0.00 57.85 57.20 2kbx n ARG 46 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 32.46 29.06 2kbx n ARG 46 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2kbx h SER 47 N 14.26 -0.35 -0.23 0.55 0.02 -1.96 -2.73 113.55 123.10 2kbx h SER 47 Ca -0.06 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2kbx h SER 47 Cb 1.08 0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.76 2kbx h SER 47 CO 1.10 -0.14 -0.44 0.00 -1.14 0.00 0.00 176.83 176.21 2kbx h ALA 48 N 1.08 -0.74 -0.48 3.77 0.00 -1.98 0.06 119.26 120.97 2kbx h ALA 48 Ca 0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2kbx h ALA 48 Cb 0.26 0.99 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2kbx h ALA 48 CO -0.26 -0.93 -0.28 0.28 0.00 0.00 0.00 179.25 178.06 2kbx n VAL 49 N -4.85 -0.33 -0.06 0.00 0.31 -1.05 0.22 118.33 112.57 2kbx n VAL 49 Ca -0.04 1.92 -0.13 0.00 -0.01 0.00 0.00 64.34 66.08 2kbx n VAL 49 Cb 0.29 -2.44 -0.08 0.00 -0.91 0.00 0.00 33.84 30.70 2kbx n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2kbx h VAL 50 N 0.00 0.06 0.68 2.52 2.07 -1.17 0.68 116.25 121.08 2kbx h VAL 50 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2kbx h VAL 50 Cb 0.20 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2kbx h VAL 50 CO -0.45 0.00 -0.43 -0.08 0.02 0.00 0.00 177.57 176.63 2kbx h GLU 51 N -0.46 -1.01 -0.06 1.57 4.22 0.74 1.28 114.58 120.85 2kbx h GLU 51 Ca 0.08 0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.61 2kbx h GLU 51 Cb 0.63 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2kbx h GLU 51 CO -0.50 -0.67 0.05 0.52 -2.18 0.00 0.00 179.01 176.23 2kbx h MET 52 N -1.05 0.00 0.04 1.92 0.00 0.30 -2.82 114.93 113.32 2kbx h MET 52 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 59.70 59.36 2kbx h MET 52 Cb 0.85 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 32.43 2kbx h MET 52 CO 0.07 0.00 -1.38 1.25 0.00 0.00 0.00 176.91 176.85 2kbx h LEU 53 N 0.00 0.12 -0.94 1.22 7.12 0.82 -2.94 115.31 120.71 2kbx h LEU 53 Ca 0.03 -0.65 0.25 0.00 0.13 0.00 0.00 57.88 57.64 2kbx h LEU 53 Cb 0.14 -0.04 -0.17 0.00 -0.53 0.00 0.00 40.66 40.06 2kbx h LEU 53 CO -0.00 1.56 0.05 0.40 -0.13 0.00 0.00 178.44 180.32 2kbx h ILE 54 N -0.72 0.10 0.00 4.05 1.08 0.19 0.60 117.51 122.81 2kbx h ILE 54 Ca -0.35 -0.02 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 2kbx h ILE 54 Cb 1.49 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2kbx h ILE 54 CO -0.12 0.01 -0.67 0.24 -0.69 0.00 0.00 178.15 176.92 2kbx h MET 55 N 0.05 0.00 -0.97 2.37 2.86 -1.67 -3.30 114.93 114.27 2kbx h MET 55 Ca 0.57 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.25 2kbx h MET 55 Cb 1.14 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.74 2kbx h MET 55 CO -0.85 0.10 0.63 -0.09 1.06 0.00 0.00 176.91 177.75 2kbx h ARG 56 N 0.00 1.15 0.00 1.72 2.43 0.40 -3.44 114.38 116.65 2kbx h ARG 56 Ca -0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2kbx h ARG 56 Cb 1.12 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2kbx h ARG 56 CO 0.01 0.76 0.00 0.41 -1.51 0.00 0.00 179.97 179.65 2kbx n GLY 57 N -1.36 0.00 3.86 2.80 0.00 -1.07 -5.09 105.19 104.33 2kbx n GLY 57 Ca 0.14 0.00 -0.31 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 2.99 0.31 4.61 0.00 -1.23 -5.03 121.76 123.41 2kbx s ALA 58 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.84 2kbx s ALA 58 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 2kbx s ALA 58 CO 0.00 -0.82 0.63 1.03 0.00 0.00 0.00 175.76 176.59 2kbx s ARG 59 N -5.11 3.73 0.33 0.00 3.00 -1.26 -4.92 118.95 114.72 2kbx s ARG 59 Ca 0.56 0.24 0.25 0.00 0.00 0.00 0.00 55.73 56.78 2kbx s ARG 59 Cb -0.12 -2.56 0.63 0.00 0.00 0.00 0.00 34.95 32.90 2kbx s ARG 59 CO 0.54 0.16 1.71 0.82 0.00 0.00 0.00 175.30 178.53 2kbx h ILE 60 N 1.46 0.00 -2.16 1.52 5.03 -1.95 -3.30 117.51 118.10 2kbx h ILE 60 Ca -0.47 -0.70 -0.70 0.00 -0.12 0.00 0.00 64.86 62.86 2kbx h ILE 60 Cb 1.18 1.69 -0.34 0.00 -3.03 0.00 0.00 36.82 36.33 2kbx h ILE 60 CO 0.66 0.00 0.23 0.59 -0.68 0.00 0.00 178.15 178.95 2kbx n ASN 61 N -2.66 6.04 -4.71 1.72 5.03 -1.26 -5.00 115.26 114.41 2kbx n ASN 61 Ca 0.05 -3.71 -0.35 0.00 0.87 0.00 0.00 54.58 51.44 2kbx n ASN 61 Cb 0.46 -0.86 -0.08 0.00 -1.02 0.00 0.00 39.78 38.28 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 -4.60 5.30 0.11 2.41 0.11 -1.25 -5.09 120.40 117.40 2kbx s VAL 62 Ca 0.45 0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.74 2kbx s VAL 62 Cb 0.27 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 2kbx s VAL 62 CO -0.17 0.44 -0.21 -0.04 -3.33 0.00 0.00 175.10 171.78 2kbx s MET 63 N 0.42 1.15 0.62 1.54 -1.94 -1.26 -4.40 119.30 115.44 2kbx s MET 63 Ca 0.07 -1.18 -0.09 0.00 -1.71 0.00 0.00 55.69 52.78 2kbx s MET 63 Cb -0.11 -1.43 -0.01 0.00 2.01 0.00 0.00 34.83 35.28 2kbx s MET 63 CO -0.01 0.33 0.99 0.54 -0.01 0.00 0.00 175.02 176.86 2kbx s ASN 64 N -1.94 5.84 0.56 3.03 6.03 -1.01 -4.82 114.94 122.63 2kbx s ASN 64 Ca 0.07 1.11 0.47 0.00 -1.03 0.00 0.00 52.86 53.48 2kbx s ASN 64 Cb -0.10 -2.10 1.68 0.00 -3.03 0.00 0.00 41.25 37.70 2kbx s ASN 64 CO 0.04 -1.03 1.62 0.03 -2.03 0.00 0.00 177.10 175.74 2kbx h ARG 65 N -0.33 0.00 -2.08 3.55 -0.00 -1.83 -0.05 114.38 113.64 2kbx h ARG 65 Ca -0.45 0.00 -0.67 0.00 -0.50 0.00 0.00 59.98 58.36 2kbx h ARG 65 Cb 1.23 0.00 -0.36 0.00 0.00 0.00 0.00 29.97 30.83 2kbx h ARG 65 CO 0.62 0.00 -0.03 0.41 0.00 0.00 0.00 179.97 180.97 2kbx n GLY 66 N -1.88 5.82 2.94 0.04 0.00 -1.26 -4.99 105.19 105.86 2kbx n GLY 66 Ca 0.40 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.29 -6.12 -3.30 1.61 8.00 -0.03 -5.00 116.55 111.42 2kbx n ASP 67 Ca 0.40 0.43 0.02 0.00 0.71 0.00 0.00 54.79 56.35 2kbx n ASP 67 Cb 0.40 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.04 2kbx n ASP 67 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kbx s ASP 68 N -0.80 -1.28 0.36 -2.24 -1.08 -1.26 -4.80 116.67 105.57 2kbx s ASP 68 Ca 0.00 1.06 -0.18 0.00 -0.52 0.00 0.00 52.55 52.91 2kbx s ASP 68 Cb 0.00 2.18 -0.10 0.00 -1.46 0.00 0.00 42.92 43.54 2kbx s ASP 68 CO 0.00 -0.25 0.83 0.42 0.52 0.00 0.00 175.17 176.69 2kbx s THR 69 N 2.86 4.55 0.44 1.71 -4.23 -1.26 -2.40 115.64 117.31 2kbx s THR 69 Ca 0.13 1.20 0.17 0.00 -1.18 0.00 0.00 61.69 62.01 2kbx s THR 69 Cb -0.14 -3.62 0.37 0.00 1.34 0.00 0.00 72.50 70.44 2kbx s THR 69 CO -0.20 -0.22 1.92 1.55 -0.54 0.00 0.00 174.62 177.13 2kbx h PRO 70 N 2.17 0.36 -0.29 3.99 0.13 -1.97 -1.12 132.00 135.27 2kbx h PRO 70 Ca -0.48 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.69 2kbx h PRO 70 Cb 1.18 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 2kbx h PRO 70 CO 0.64 0.24 -0.12 1.25 -0.23 0.00 0.00 178.00 179.78 2kbx h LEU 71 N 0.37 -0.40 0.08 1.56 5.85 -1.94 1.64 115.31 122.46 2kbx h LEU 71 Ca 0.38 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.20 2kbx h LEU 71 Cb 0.93 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2kbx h LEU 71 CO -0.11 -0.15 -0.08 0.45 -0.34 0.00 0.00 178.44 178.21 2kbx h HIS 72 N -0.06 -0.21 -0.83 1.25 3.86 -1.57 0.95 115.15 118.53 2kbx h HIS 72 Ca 0.15 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.55 2kbx h HIS 72 Cb 0.29 0.08 -0.15 0.00 1.06 0.00 0.00 27.41 28.69 2kbx h HIS 72 CO -0.32 -0.10 -0.08 -0.07 0.86 0.00 0.00 177.93 178.22 2kbx h LEU 73 N -0.15 -0.56 0.17 2.43 3.38 -1.22 1.16 115.31 120.53 2kbx h LEU 73 Ca -0.01 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2kbx h LEU 73 Cb 0.13 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kbx h LEU 73 CO -0.01 -0.25 -0.09 0.00 0.09 0.00 0.00 178.44 178.18 2kbx h ALA 74 N 1.81 -1.03 -0.36 1.53 0.00 0.29 -1.32 119.26 120.18 2kbx h ALA 74 Ca 0.44 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.41 2kbx h ALA 74 Cb 0.77 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2kbx h ALA 74 CO -0.80 -1.02 0.68 0.00 0.00 0.00 0.00 179.25 178.11 2kbx h ALA 75 N -1.84 2.06 0.47 0.00 0.00 0.21 -0.84 119.26 119.32 2kbx h ALA 75 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kbx h ALA 75 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kbx h ALA 75 CO 0.03 -0.86 -0.22 0.66 0.00 0.00 0.00 179.25 178.86 2kbx h SER 76 N 0.00 -0.53 0.69 0.00 4.64 0.25 -2.96 113.55 115.65 2kbx h SER 76 Ca 0.17 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.32 2kbx h SER 76 Cb 1.52 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.73 2kbx h SER 76 CO -0.00 -0.32 -0.73 1.12 -0.87 0.00 0.00 176.83 176.03 2kbx h HIS 77 N -0.70 0.04 -0.48 4.77 2.07 -1.01 -3.45 115.15 116.39 2kbx h HIS 77 Ca -0.06 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.44 2kbx h HIS 77 Cb 0.52 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2kbx h HIS 77 CO -0.03 0.75 0.00 0.41 -3.07 0.00 0.00 177.93 175.99 2kbx n GLY 78 N 0.56 0.92 3.55 6.13 0.00 -0.75 -4.99 105.19 110.61 2kbx n GLY 78 Ca -0.01 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2kbx n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kbx s HIS 79 N -2.48 2.37 0.19 1.61 3.76 -1.26 -4.88 115.29 114.59 2kbx s HIS 79 Ca 0.00 -0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 54.48 2kbx s HIS 79 Cb 0.00 -4.62 0.18 0.00 1.11 0.00 0.00 32.58 29.25 2kbx s HIS 79 CO 0.00 -2.02 1.28 -2.13 -0.85 0.00 0.00 174.74 171.02 2kbx n ARG 80 N 9.13 -0.21 0.28 1.40 0.00 -1.26 -0.40 116.66 125.61 2kbx n ARG 80 Ca 0.10 1.27 -0.18 0.00 -0.00 0.00 0.00 57.85 59.03 2kbx n ARG 80 Cb 0.49 -1.88 -0.10 0.00 0.00 0.00 0.00 32.46 30.97 2kbx n ARG 80 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2kbx h ASP 81 N 0.00 -1.41 -0.97 6.15 3.32 -2.00 0.83 116.42 122.34 2kbx h ASP 81 Ca 0.28 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.53 2kbx h ASP 81 Cb 0.48 0.47 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 2kbx h ASP 81 CO -0.82 -0.66 0.62 0.40 -1.72 0.00 0.00 179.24 177.07 2kbx h ILE 82 N -0.99 1.01 0.76 0.35 2.04 -1.52 -2.63 117.51 116.53 2kbx h ILE 82 Ca -0.06 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2kbx h ILE 82 Cb 0.87 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2kbx h ILE 82 CO -0.08 0.19 -0.41 0.58 0.00 0.00 0.00 178.15 178.42 2kbx h VAL 83 N 1.04 0.00 -1.00 1.67 2.07 -0.08 -2.41 116.25 117.54 2kbx h VAL 83 Ca 0.44 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.18 2kbx h VAL 83 Cb 0.33 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 29.91 2kbx h VAL 83 CO -0.20 0.00 -0.19 1.56 0.02 0.00 0.00 177.57 178.76 2kbx h GLN 84 N -1.08 0.00 0.37 1.57 4.20 -0.50 1.12 115.11 120.79 2kbx h GLN 84 Ca -0.10 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2kbx h GLN 84 Cb 0.85 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2kbx h GLN 84 CO 0.14 0.00 -0.19 0.87 -0.67 0.00 0.00 178.83 178.98 2kbx h LYS 85 N 0.00 -0.50 -0.19 1.46 1.57 -1.29 0.56 116.57 118.19 2kbx h LYS 85 Ca 0.51 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.38 2kbx h LYS 85 Cb 0.85 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2kbx h LYS 85 CO -1.01 -0.33 0.17 -0.07 -0.57 0.00 0.00 179.45 177.64 2kbx h LEU 86 N -0.52 0.00 -0.04 2.94 3.38 -0.76 1.18 115.31 121.50 2kbx h LEU 86 Ca -0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.66 2kbx h LEU 86 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2kbx h LEU 86 CO 0.08 0.00 -1.08 0.25 0.09 0.00 0.00 178.44 177.78 2kbx h LEU 87 N 0.00 0.61 0.06 1.67 5.85 0.16 -3.02 115.31 120.64 2kbx h LEU 87 Ca 0.09 -0.54 -0.36 0.00 0.84 0.00 0.00 57.88 57.91 2kbx h LEU 87 Cb 0.43 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2kbx h LEU 87 CO -0.00 1.36 -2.08 1.67 -0.34 0.00 0.00 178.44 179.04 2kbx n GLN 88 N -3.72 0.71 -0.11 1.25 0.00 0.19 -1.84 117.38 113.87 2kbx n GLN 88 Ca -0.09 0.22 0.12 0.00 -0.00 0.00 0.00 57.00 57.25 2kbx n GLN 88 Cb 0.91 -1.67 0.48 0.00 0.00 0.00 0.00 30.24 29.97 2kbx n GLN 88 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 2kbx h TYR 89 N 0.04 0.49 0.00 3.69 -1.99 0.12 -3.37 116.97 115.94 2kbx h TYR 89 Ca -0.44 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.30 2kbx h TYR 89 Cb 2.02 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 40.59 2kbx h TYR 89 CO 0.05 0.23 0.00 0.36 -0.00 0.00 0.00 178.16 178.79 2kbx n LYS 90 N -4.47 0.00 -3.96 4.88 2.85 -1.24 -5.03 118.16 111.18 2kbx n LYS 90 Ca 0.10 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.11 2kbx n LYS 90 Cb 0.37 -0.01 -0.02 0.00 -0.65 0.00 0.00 35.03 34.72 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 -2.02 0.33 0.58 0.00 -0.77 -4.76 120.51 113.88 2kbx n ALA 91 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 2kbx n ALA 91 Cb 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.99 4.03 0.11 0.00 5.75 -1.26 -3.76 116.55 118.44 2kbx n ASP 92 Ca -0.31 -2.20 -0.02 0.00 -0.01 0.00 0.00 54.79 52.24 2kbx n ASP 92 Cb 0.69 -0.77 0.03 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.44 1.38 0.00 2.12 -0.00 -1.90 -3.04 117.51 116.51 2kbx h ILE 93 Ca 0.01 -2.67 0.00 0.00 -0.00 0.00 0.00 64.86 62.20 2kbx h ILE 93 Cb 1.02 2.50 0.00 0.00 -0.00 0.00 0.00 36.82 40.34 2kbx h ILE 93 CO 0.03 0.72 0.00 0.59 -0.00 0.00 0.00 178.15 179.49 2kbx n ASN 94 N -3.44 0.00 -4.19 2.19 3.02 -1.25 -4.42 115.26 107.18 2kbx n ASN 94 Ca 0.00 0.27 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 2kbx n ASN 94 Cb 0.78 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 39.45 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 -2.82 3.40 1.13 5.41 0.00 -1.15 -5.08 121.76 122.65 2kbx s ALA 95 Ca 0.16 -2.65 -0.15 0.00 0.00 0.00 0.00 51.96 49.32 2kbx s ALA 95 Cb 0.16 -2.77 0.22 0.00 0.00 0.00 0.00 23.12 20.73 2kbx s ALA 95 CO 0.41 -1.93 0.91 1.55 0.00 0.00 0.00 175.76 176.70 2kbx n VAL 96 N 4.66 0.00 0.00 0.00 3.14 -1.26 -5.02 118.33 119.85 2kbx n VAL 96 Ca -0.04 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 2kbx n VAL 96 Cb 0.41 -1.33 0.00 0.00 -1.06 0.00 0.00 33.84 31.86 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 -4.19 0.00 -0.00 6.55 5.03 -1.26 -4.96 115.26 116.43 2kbx n ASN 97 Ca 0.12 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.61 2kbx n ASN 97 Cb 0.45 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.15 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 0.26 0.00 3.52 -0.00 -1.26 -4.48 120.64 118.67 2kbx n GLU 98 Ca 0.00 -0.07 0.11 0.00 -0.00 0.00 0.00 57.16 57.20 2kbx n GLU 98 Cb 0.00 -1.19 0.10 0.00 -0.00 0.00 0.00 31.44 30.35 2kbx n GLU 98 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kbx n HIS 99 N -1.78 0.00 -0.49 -1.84 8.25 -1.26 -4.93 115.22 113.17 2kbx n HIS 99 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2kbx n HIS 99 Cb 0.21 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 1.48 1.37 3.48 -1.41 0.00 -1.26 -4.81 105.19 104.05 2kbx n GLY 100 Ca 0.06 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.22 6.70 0.29 1.61 0.02 -1.26 -4.90 114.94 115.18 2kbx s ASN 101 Ca 0.00 -2.14 -0.18 0.00 -1.02 0.00 0.00 52.86 49.52 2kbx s ASN 101 Cb 0.00 -2.44 -0.09 0.00 0.02 0.00 0.00 41.25 38.74 2kbx s ASN 101 CO 0.00 -1.09 0.76 -0.69 0.02 0.00 0.00 177.10 176.10 2kbx s VAL 102 N 2.99 4.58 0.30 1.60 1.01 -1.26 -4.08 120.40 125.54 2kbx s VAL 102 Ca 0.38 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.61 2kbx s VAL 102 Cb -0.03 -3.74 0.30 0.00 0.00 0.00 0.00 36.38 32.92 2kbx s VAL 102 CO -0.07 -0.01 1.68 -0.65 0.00 0.00 0.00 175.10 176.06 2kbx h PRO 103 N 2.77 0.36 0.28 2.72 0.11 -1.92 -0.69 132.00 135.63 2kbx h PRO 103 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kbx h PRO 103 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2kbx h PRO 103 CO 0.65 0.24 -0.22 1.25 -0.21 0.00 0.00 178.00 179.71 2kbx h LEU 104 N 0.37 -0.58 -0.79 2.35 7.12 -1.95 0.75 115.31 122.59 2kbx h LEU 104 Ca 0.60 0.05 0.16 0.00 0.13 0.00 0.00 57.88 58.82 2kbx h LEU 104 Cb 1.21 0.19 -0.15 0.00 -0.53 0.00 0.00 40.66 41.38 2kbx h LEU 104 CO -0.56 -0.34 -0.21 0.45 -0.13 0.00 0.00 178.44 177.65 2kbx h HIS 105 N -0.51 -0.45 -0.10 1.25 3.86 -1.51 1.08 115.15 118.77 2kbx h HIS 105 Ca -0.02 0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 2kbx h HIS 105 Cb 0.45 0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2kbx h HIS 105 CO -0.13 -0.34 -0.33 -0.92 0.86 0.00 0.00 177.93 177.06 2kbx h TYR 106 N -0.01 0.53 -0.32 2.45 5.03 -1.26 -1.56 116.97 121.84 2kbx h TYR 106 Ca 0.37 -0.22 0.05 0.00 2.58 0.00 0.00 58.73 61.52 2kbx h TYR 106 Cb 0.58 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.72 2kbx h TYR 106 CO -0.63 0.95 0.04 0.00 -1.32 0.00 0.00 178.16 177.19 2kbx h ALA 107 N 0.48 0.32 0.00 1.82 0.00 0.28 -0.71 119.26 121.45 2kbx h ALA 107 Ca -0.01 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2kbx h ALA 107 Cb 0.96 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2kbx h ALA 107 CO 0.07 -0.37 -0.20 0.00 0.00 0.00 0.00 179.25 178.75 2kbx h PHE 109 N 0.00 0.33 0.11 0.00 3.04 -0.07 -3.01 116.94 117.33 2kbx h PHE 109 Ca -0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2kbx h PHE 109 Cb 0.79 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.19 2kbx h PHE 109 CO 0.00 0.24 -0.05 -1.49 -2.02 0.00 0.00 178.31 174.99 2kbx h TRP 110 N 0.34 -0.13 0.00 0.41 4.06 -1.12 -3.49 115.95 116.01 2kbx h TRP 110 Ca 0.09 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 2kbx h TRP 110 Cb 0.03 0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 2kbx h TRP 110 CO 0.00 -0.08 0.00 0.41 -3.56 0.00 0.00 178.44 175.21 2kbx n GLY 111 N 1.42 0.85 2.75 1.49 0.00 -1.12 -5.12 105.19 105.45 2kbx n GLY 111 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2kbx n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kbx s GLN 112 N 0.00 0.78 0.50 1.61 1.03 -1.25 -4.99 119.66 117.34 2kbx s GLN 112 Ca 0.00 -1.15 0.16 0.00 0.04 0.00 0.00 55.36 54.41 2kbx s GLN 112 Cb 0.00 -2.08 1.23 0.00 0.03 0.00 0.00 33.01 32.19 2kbx s GLN 112 CO 0.00 -0.99 2.12 0.38 -2.54 0.00 0.00 175.29 174.26 2kbx h ASP 113 N 8.02 0.07 -0.95 12.60 2.03 -1.97 -2.70 116.42 133.51 2kbx h ASP 113 Ca -0.13 -0.00 0.30 0.00 -0.73 0.00 0.00 57.03 56.47 2kbx h ASP 113 Cb 1.01 -0.02 -0.16 0.00 -0.83 0.00 0.00 39.33 39.33 2kbx h ASP 113 CO 0.48 0.05 0.32 1.56 -1.03 0.00 0.00 179.24 180.61 2kbx h GLN 114 N 0.08 0.13 0.13 4.15 4.20 -1.99 1.11 115.11 122.92 2kbx h GLN 114 Ca 0.05 -0.01 -0.30 0.00 0.06 0.00 0.00 58.65 58.46 2kbx h GLN 114 Cb 0.12 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2kbx h GLN 114 CO -0.01 0.09 -1.54 -0.39 -0.67 0.00 0.00 178.83 176.32 2kbx h VAL 115 N 0.14 0.96 -0.18 -0.54 -1.51 -1.86 -2.92 116.25 110.33 2kbx h VAL 115 Ca 0.66 -2.40 0.05 0.00 -1.23 0.00 0.00 66.70 63.78 2kbx h VAL 115 Cb 1.50 2.68 -0.01 0.00 -2.13 0.00 0.00 31.29 33.33 2kbx h VAL 115 CO -0.74 0.74 0.21 0.00 -1.23 0.00 0.00 177.57 176.55 2kbx h ALA 116 N -0.02 1.79 0.07 5.19 0.00 -1.07 -0.93 119.26 124.29 2kbx h ALA 116 Ca -0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kbx h ALA 116 Cb 1.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2kbx h ALA 116 CO 0.07 -0.30 -0.03 1.49 0.00 0.00 0.00 179.25 180.48 2kbx h GLU 117 N 0.00 -0.09 -0.17 0.00 4.22 0.11 -2.72 114.58 115.94 2kbx h GLU 117 Ca 0.09 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.58 2kbx h GLU 117 Cb 0.50 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2kbx h GLU 117 CO -0.00 -0.06 0.46 0.22 -2.18 0.00 0.00 179.01 177.45 2kbx h ASP 118 N -0.78 0.00 0.00 1.04 1.82 -1.25 0.47 116.42 117.72 2kbx h ASP 118 Ca -0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2kbx h ASP 118 Cb 0.07 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 2kbx h ASP 118 CO 0.02 0.00 -0.07 -0.07 -1.61 0.00 0.00 179.24 177.51 2kbx h LEU 119 N 0.00 0.00 0.00 2.28 3.38 -1.23 -3.27 115.31 116.46 2kbx h LEU 119 Ca 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2kbx h LEU 119 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kbx h LEU 119 CO -0.00 0.64 0.00 0.55 0.09 0.00 0.00 178.44 179.72 2kbx n VAL 120 N -4.73 0.95 1.02 1.22 3.14 -0.79 -1.83 118.33 117.32 2kbx n VAL 120 Ca -0.03 0.24 0.10 0.00 -2.96 0.00 0.00 64.34 61.69 2kbx n VAL 120 Cb 0.13 -1.00 0.53 0.00 -1.06 0.00 0.00 33.84 32.44 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 -1.45 2.10 -0.09 1.55 0.00 0.16 -3.12 120.51 119.67 2kbx n ALA 121 Ca 0.04 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 2kbx n ALA 121 Cb 0.15 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 2kbx n ALA 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kbx n ASN 122 N -1.25 2.29 0.00 0.00 3.02 -0.76 -5.01 115.26 113.55 2kbx n ASN 122 Ca 0.10 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2kbx n ASN 122 Cb 0.15 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kbx n GLY 123 N 2.45 -0.31 0.39 7.41 0.00 -1.18 -4.98 105.19 108.96 2kbx n GLY 123 Ca -0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 2.08 -4.38 4.61 0.00 -1.77 -3.46 119.26 116.34 2kbx h ALA 124 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kbx h ALA 124 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kbx h ALA 124 CO 0.00 -0.96 -0.98 -0.11 0.00 0.00 0.00 179.25 177.20 2kbx n LEU 125 N -2.93 -6.30 0.27 0.00 7.94 -1.26 -4.39 117.00 110.33 2kbx n LEU 125 Ca 0.06 3.37 0.16 0.00 -1.11 0.00 0.00 56.01 58.49 2kbx n LEU 125 Cb 0.92 -3.23 0.71 0.00 0.53 0.00 0.00 43.42 42.35 2kbx n LEU 125 CO 0.12 -1.50 0.98 1.62 -1.11 0.00 0.00 177.39 177.50 2kbx h VAL 126 N 4.10 0.14 -0.75 1.96 3.04 -1.93 -2.62 116.25 120.19 2kbx h VAL 126 Ca 0.00 -0.56 -0.48 0.00 -1.01 0.00 0.00 66.70 64.65 2kbx h VAL 126 Cb 0.00 1.48 -0.20 0.00 -2.01 0.00 0.00 31.29 30.56 2kbx h VAL 126 CO 0.00 0.05 0.62 -1.20 -1.01 0.00 0.00 177.57 176.02 2kbx n SER 127 N -3.19 7.00 0.21 3.17 7.64 -1.26 -4.59 113.62 122.60 2kbx n SER 127 Ca -0.00 -3.38 -0.15 0.00 1.01 0.00 0.00 58.87 56.35 2kbx n SER 127 Cb 0.29 -1.03 -0.08 0.00 -1.01 0.00 0.00 64.21 62.38 2kbx n SER 127 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2kbx h ILE 128 N 1.06 0.67 -3.16 0.44 6.09 -1.67 -3.49 117.51 117.46 2kbx h ILE 128 Ca 0.43 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.87 2kbx h ILE 128 Cb 0.84 0.69 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 2kbx h ILE 128 CO 1.12 0.01 -0.12 0.00 -3.07 0.00 0.00 178.15 176.09 2kbx n ASN 130 N 0.13 0.00 0.09 0.00 5.03 -1.26 -4.60 115.26 114.64 2kbx n ASN 130 Ca -0.03 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.54 2kbx n ASN 130 Cb 0.05 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 38.97 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 -0.00 -1.91 -3.31 116.57 114.88 2kbx h LYS 131 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2kbx h LYS 131 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2kbx h LYS 131 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 179.45 180.43 2kbx n TYR 132 N -2.32 0.00 -1.12 0.07 9.36 -1.26 -4.97 117.16 116.92 2kbx n TYR 132 Ca 0.03 -0.32 -0.04 0.00 3.32 0.00 0.00 57.90 60.89 2kbx n TYR 132 Cb 0.47 -0.03 -0.02 0.00 -0.63 0.00 0.00 39.34 39.13 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 -0.32 0.70 3.57 2.98 0.00 -1.25 -4.93 105.19 105.95 2kbx n GLY 133 Ca 0.00 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 2kbx n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kbx s GLU 134 N -2.27 3.13 0.40 1.61 2.56 -1.26 -4.63 118.70 118.23 2kbx s GLU 134 Ca 0.00 -1.22 0.08 0.00 0.00 0.00 0.00 54.97 53.83 2kbx s GLU 134 Cb 0.00 -5.31 -0.04 0.00 2.00 0.00 0.00 34.13 30.78 2kbx s GLU 134 CO 0.00 -3.05 0.27 -1.64 -0.56 0.00 0.00 175.26 170.27 2kbx s MET 135 N 5.67 2.40 0.56 4.30 -1.94 -1.26 -4.47 119.30 124.57 2kbx s MET 135 Ca 0.61 -1.64 0.27 0.00 -1.71 0.00 0.00 55.69 53.22 2kbx s MET 135 Cb -0.00 -2.21 1.49 0.00 2.01 0.00 0.00 34.83 36.12 2kbx s MET 135 CO 0.05 -0.11 1.98 -1.35 -0.01 0.00 0.00 175.02 175.58 2kbx h PRO 136 N 1.26 0.00 -0.65 2.03 0.11 -1.92 -1.27 132.00 131.56 2kbx h PRO 136 Ca -0.42 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.79 2kbx h PRO 136 Cb 1.26 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 2kbx h PRO 136 CO 0.63 0.00 0.27 0.28 -0.21 0.00 0.00 178.00 178.97 2kbx h VAL 137 N 0.00 0.77 0.02 3.15 2.07 -1.94 2.03 116.25 122.36 2kbx h VAL 137 Ca 0.21 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2kbx h VAL 137 Cb 0.98 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2kbx h VAL 137 CO -0.00 0.08 -0.01 -0.78 0.02 0.00 0.00 177.57 176.88 2kbx h ASP 138 N 0.46 -0.03 0.24 0.57 3.58 -1.56 0.29 116.42 119.97 2kbx h ASP 138 Ca 0.33 -0.63 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2kbx h ASP 138 Cb 0.41 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2kbx h ASP 138 CO -0.31 0.64 0.00 0.50 -2.88 0.00 0.00 179.24 177.19 2kbx h LYS 139 N -0.72 0.00 0.00 0.28 3.64 -1.27 0.65 116.57 119.15 2kbx h LYS 139 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2kbx h LYS 139 Cb 0.66 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2kbx h LYS 139 CO 0.01 0.00 -1.20 0.00 -2.27 0.00 0.00 179.45 175.98 2kbx n ALA 140 N -1.91 2.42 0.62 5.00 0.00 0.68 -3.81 120.51 123.51 2kbx n ALA 140 Ca -0.01 -0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.21 2kbx n ALA 140 Cb 0.11 -1.03 0.20 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.68 0.26 0.05 0.00 0.00 0.14 -2.29 118.16 113.63 2kbx n LYS 141 Ca -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 58.31 58.28 2kbx n LYS 141 Cb 0.62 -1.67 -0.06 0.00 0.00 0.00 0.00 35.03 33.91 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx h ALA 142 N 2.56 -0.22 -0.51 3.14 0.00 -1.42 -3.22 119.26 119.59 2kbx h ALA 142 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2kbx h ALA 142 Cb 0.72 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2kbx h ALA 142 CO 0.00 -0.26 0.34 -1.00 0.00 0.00 0.00 179.25 178.33 2kbx h PRO 143 N -0.95 0.42 -0.07 0.00 0.13 -1.73 -3.46 132.00 126.36 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 0.46 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.50 2kbx h PRO 143 CO 0.04 0.28 0.00 1.28 -0.23 0.00 0.00 178.00 179.37 2kbx n LEU 144 N -4.47 -0.21 0.42 1.56 7.99 -1.22 -5.03 117.00 116.04 2kbx n LEU 144 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.90 2kbx n LEU 144 Cb 0.25 -0.07 -0.08 0.00 -0.11 0.00 0.00 43.42 43.41 2kbx n LEU 144 CO 0.34 0.00 0.43 0.03 -1.51 0.00 0.00 177.39 176.68 2kbx h ARG 145 N 0.00 -1.04 0.00 3.23 3.08 -1.74 -3.45 114.38 114.46 2kbx h ARG 145 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2kbx h ARG 145 Cb 0.14 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2kbx h ARG 145 CO 0.00 -0.69 0.00 0.39 -1.07 0.00 0.00 179.97 178.60 2kbx n GLU 146 N -5.47 0.00 0.09 0.04 1.02 -1.25 -4.75 120.64 110.32 2kbx n GLU 146 Ca -0.13 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.96 2kbx n GLU 146 Cb 0.43 -3.79 -0.02 0.00 -0.02 0.00 0.00 31.44 28.03 2kbx n GLU 146 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kbx h LEU 147 N 0.00 -0.24 -2.11 -4.62 3.38 -1.91 -2.84 115.31 106.97 2kbx h LEU 147 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kbx h LEU 147 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kbx h LEU 147 CO 0.00 0.03 0.00 0.17 0.09 0.00 0.00 178.44 178.73 2kbx h LEU 148 N -0.67 0.00 -0.05 1.67 8.10 -1.97 -2.38 115.31 120.01 2kbx h LEU 148 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2kbx h LEU 148 Cb 0.21 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.43 2kbx h LEU 148 CO 0.05 0.00 0.02 -0.09 -4.11 0.00 0.00 178.44 174.31 2kbx h ARG 149 N 0.00 0.07 -0.22 0.17 2.43 -1.91 0.31 114.38 115.23 2kbx h ARG 149 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kbx h ARG 149 Cb 0.25 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2kbx h ARG 149 CO 0.00 0.19 0.13 0.93 -1.51 0.00 0.00 179.97 179.71 2kbx h GLU 150 N -0.07 0.31 -0.45 0.20 5.08 -1.18 1.66 114.58 120.14 2kbx h GLU 150 Ca 0.02 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2kbx h GLU 150 Cb 0.14 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2kbx h GLU 150 CO -0.00 0.27 0.30 -0.09 -1.00 0.00 0.00 179.01 178.49 2kbx h ARG 151 N 0.26 0.37 0.01 2.33 2.43 -1.32 -0.85 114.38 117.61 2kbx h ARG 151 Ca 0.08 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2kbx h ARG 151 Cb 0.05 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2kbx h ARG 151 CO -0.01 0.24 -0.00 0.00 -1.51 0.00 0.00 179.97 178.69 2kbx h ALA 152 N 1.76 -0.01 -0.36 2.80 0.00 0.88 -3.05 119.26 121.29 2kbx h ALA 152 Ca 0.19 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2kbx h ALA 152 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kbx h ALA 152 CO -0.05 -0.01 0.51 0.93 0.00 0.00 0.00 179.25 180.63 2kbx h GLU 153 N -0.99 0.00 -0.00 0.00 5.08 0.28 1.53 114.58 120.48 2kbx h GLU 153 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kbx h GLU 153 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2kbx h GLU 153 CO 0.00 0.00 -0.47 1.63 -1.00 0.00 0.00 179.01 179.17 2kbx n LYS 154 N -3.43 0.38 0.18 2.33 4.01 -0.36 -2.23 118.16 119.04 2kbx n LYS 154 Ca 0.06 -0.24 0.12 0.00 -0.51 0.00 0.00 58.31 57.74 2kbx n LYS 154 Cb 0.66 -1.49 0.62 0.00 -0.51 0.00 0.00 35.03 34.31 2kbx n LYS 154 CO 0.00 0.00 0.00 1.98 -1.11 0.00 0.00 177.40 178.27 2kbx h MET 155 N 0.59 0.00 -0.15 1.97 4.05 0.23 -3.44 114.93 118.18 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 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.55 2kbx n GLY 156 N -1.28 1.24 0.00 1.39 0.00 -1.25 -4.98 105.19 100.32 2kbx n GLY 156 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.66 2.47 0.00 1.61 3.00 -1.26 -4.86 117.38 117.69 2kbx n GLN 157 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kbx n GLN 157 Cb 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 30.24 29.67 2kbx n GLN 157 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2kbx n ASN 158 N -0.95 3.27 -4.04 1.08 2.85 -1.26 -4.84 115.26 111.37 2kbx n ASN 158 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 2kbx n ASN 158 Cb 0.00 0.10 0.00 0.00 1.24 0.00 0.00 39.78 41.12 2kbx n ASN 158 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2kbx n LEU 159 N -2.11 6.21 -4.42 1.20 7.94 -0.95 -4.93 117.00 119.95 2kbx n LEU 159 Ca 0.00 -4.43 -0.41 0.00 -1.11 0.00 0.00 56.01 50.06 2kbx n LEU 159 Cb 0.38 -1.57 -0.11 0.00 0.53 0.00 0.00 43.42 42.65 2kbx n LEU 159 CO 0.00 1.06 -0.14 0.54 -1.11 0.00 0.00 177.39 177.74 2kbx s ASN 160 N 2.10 5.83 0.85 1.96 4.22 -1.26 -4.82 114.94 123.82 2kbx s ASN 160 Ca 0.43 -0.84 -0.14 0.00 -2.14 0.00 0.00 52.86 50.16 2kbx s ASN 160 Cb 0.07 -2.07 -0.00 0.00 1.28 0.00 0.00 41.25 40.53 2kbx s ASN 160 CO -0.01 -0.36 0.43 0.54 -2.04 0.00 0.00 177.10 175.66 2kbx n ARG 161 N 5.05 -0.01 -1.58 3.55 1.74 -1.26 -4.71 116.66 119.43 2kbx n ARG 161 Ca -0.12 0.04 -0.45 0.00 -0.77 0.00 0.00 57.85 56.56 2kbx n ARG 161 Cb 0.47 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.02 0.36 -1.99 0.55 0.00 -1.26 -4.87 119.36 109.13 2kbx n ILE 162 Ca 0.08 -0.39 -0.43 0.00 0.00 0.00 0.00 62.75 62.01 2kbx n ILE 162 Cb 0.52 -2.36 -0.03 0.00 0.00 0.00 0.00 39.64 37.77 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 6.12 3.47 0.00 9.51 0.05 -1.26 -4.81 135.00 148.08 2kbx s PRO 163 Ca 1.01 1.58 0.11 0.00 0.05 0.00 0.00 61.00 63.74 2kbx s PRO 163 Cb -0.45 -4.17 0.47 0.00 0.05 0.00 0.00 34.50 30.41 2kbx s PRO 163 CO 0.39 -1.70 1.31 0.66 0.05 0.00 0.00 177.00 177.71 2kbx n TYR 164 N 9.81 0.00 -3.21 0.56 4.02 -1.26 -4.12 117.16 122.96 2kbx n TYR 164 Ca 0.22 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.65 2kbx n TYR 164 Cb 0.46 -0.44 -0.02 0.00 -0.02 0.00 0.00 39.34 39.32 2kbx n TYR 164 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2kbx s LYS 165 N -2.88 3.69 0.00 -0.72 1.02 -1.26 -4.16 119.74 115.42 2kbx s LYS 165 Ca 0.06 -2.37 0.00 0.00 0.02 0.00 0.00 55.97 53.68 2kbx s LYS 165 Cb 0.07 -4.59 0.00 0.00 -0.52 0.00 0.00 37.83 32.79 2kbx s LYS 165 CO 0.18 -1.43 0.00 -0.25 -0.92 0.00 0.00 175.35 172.94 2kbx n ASP 166 N 4.55 0.00 -0.08 2.83 8.00 -1.26 -4.99 116.55 125.60 2kbx n ASP 166 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2kbx n ASP 166 Cb 0.47 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 2kbx n ASP 166 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2kbx n THR 167 N -2.09 0.00 -3.75 -3.53 5.66 -1.26 -5.07 114.28 104.25 2kbx n THR 167 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 2kbx n THR 167 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 2kbx n THR 167 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2kbx s PHE 168 N 0.00 1.96 0.00 1.09 -0.71 -1.26 -4.77 117.98 114.29 2kbx s PHE 168 Ca 0.00 -2.07 0.00 0.00 -1.04 0.00 0.00 56.93 53.82 2kbx s PHE 168 Cb 0.00 -1.87 0.00 0.00 -1.21 0.00 0.00 43.02 39.94 2kbx s PHE 168 CO 0.00 -0.85 0.00 0.91 -1.34 0.00 0.00 175.22 173.94 2kbx n TRP 169 N 4.36 0.00 0.00 3.49 7.02 -1.26 -4.73 117.44 126.32 2kbx n TRP 169 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2kbx n TRP 169 Cb 0.39 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 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 -0.38 0.00 0.00 -0.99 5.02 -1.26 -5.23 118.16 115.32 2kbx n LYS 170 Ca 0.00 0.20 0.05 0.00 -2.02 0.00 0.00 58.31 56.53 2kbx n LYS 170 Cb 0.00 -1.55 0.28 0.00 -0.02 0.00 0.00 35.03 33.74 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29