#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 -2.59 0.00 6.12 8.00 -1.26 -4.70 116.55 122.13 2kbx n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kbx n ASP 2 Cb 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 41.12 39.07 2kbx n ASP 2 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kbx n ASP 3 N 0.53 0.00 -0.18 -2.24 2.03 -1.26 -1.70 116.55 113.73 2kbx n ASP 3 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2kbx n ASP 3 Cb 0.22 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.62 2kbx n ASP 3 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2kbx h ILE 4 N 0.00 1.26 -0.71 5.18 -0.00 -1.94 -2.87 117.51 118.42 2kbx h ILE 4 Ca 0.00 -0.99 0.27 0.00 -0.00 0.00 0.00 64.86 64.15 2kbx h ILE 4 Cb 0.00 0.90 -0.13 0.00 -0.00 0.00 0.00 36.82 37.59 2kbx h ILE 4 CO 0.00 0.35 0.28 0.49 -0.00 0.00 0.00 178.15 179.27 2kbx n PHE 5 N -4.37 0.73 -0.05 0.16 3.72 -0.69 0.32 117.46 117.28 2kbx n PHE 5 Ca 0.01 0.85 -0.02 0.00 -0.05 0.00 0.00 57.45 58.24 2kbx n PHE 5 Cb 0.28 -1.21 -0.01 0.00 -0.94 0.00 0.00 39.48 37.61 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 -1.32 -3.09 112.91 114.89 2kbx h THR 6 Ca 0.56 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2kbx h THR 6 Cb 1.41 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2kbx h THR 6 CO -0.58 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.31 2kbx n GLN 7 N -4.43 0.04 -0.11 6.66 1.13 0.05 -1.91 117.38 118.80 2kbx n GLN 7 Ca -0.03 0.14 -0.22 0.00 -1.94 0.00 0.00 57.00 54.96 2kbx n GLN 7 Cb 0.10 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.87 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kbx n ARG 9 N -4.38 0.02 0.00 0.00 -4.01 -1.05 -2.77 116.66 104.47 2kbx n ARG 9 Ca -0.37 0.25 0.00 0.00 -1.04 0.00 0.00 57.85 56.69 2kbx n ARG 9 Cb 0.70 -1.50 0.02 0.00 -3.04 0.00 0.00 32.46 28.64 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 -1.48 0.03 -0.15 2.89 2.13 -0.80 -4.62 120.64 118.64 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 0.16 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.47 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 -0.85 0.76 2.37 8.31 0.00 -1.11 -4.94 105.19 109.72 2kbx n GLY 11 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 8.03 -0.21 1.61 5.03 -1.14 -4.61 115.26 123.96 2kbx n ASN 12 Ca 0.00 -2.52 0.29 0.00 0.87 0.00 0.00 54.58 53.21 2kbx n ASN 12 Cb 0.00 -1.47 0.48 0.00 -1.02 0.00 0.00 39.78 37.77 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kbx h ALA 13 N 5.26 2.95 -0.04 5.41 0.00 -1.93 2.76 119.26 133.68 2kbx h ALA 13 Ca 0.80 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 55.43 2kbx h ALA 13 Cb 0.26 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kbx h ALA 13 CO 1.72 -1.70 -0.96 -0.24 0.00 0.00 0.00 179.25 178.07 2kbx h VAL 14 N 0.00 1.30 -0.24 0.00 3.04 -1.93 -2.77 116.25 115.64 2kbx h VAL 14 Ca 0.49 -2.21 -0.18 0.00 -1.01 0.00 0.00 66.70 63.79 2kbx h VAL 14 Cb 2.82 2.29 -0.00 0.00 -2.01 0.00 0.00 31.29 34.39 2kbx h VAL 14 CO -0.01 0.68 -0.55 0.00 -1.01 0.00 0.00 177.57 176.69 2kbx h ALA 15 N 0.51 0.56 -0.39 3.17 0.00 0.46 -1.39 119.26 122.18 2kbx h ALA 15 Ca -0.10 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 2kbx h ALA 15 Cb 1.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2kbx h ALA 15 CO 0.19 0.69 -0.35 -0.24 0.00 0.00 0.00 179.25 179.54 2kbx h VAL 16 N 0.57 1.27 -0.71 0.00 3.04 -1.48 -2.73 116.25 116.21 2kbx h VAL 16 Ca 0.01 -1.52 -0.04 0.00 -1.01 0.00 0.00 66.70 64.15 2kbx h VAL 16 Cb 1.14 1.34 -0.03 0.00 -2.01 0.00 0.00 31.29 31.73 2kbx h VAL 16 CO 0.12 0.51 0.30 -0.09 -1.01 0.00 0.00 177.57 177.39 2kbx h ARG 17 N 0.74 1.05 -0.04 4.17 2.43 -1.43 0.11 114.38 121.41 2kbx h ARG 17 Ca 0.07 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2kbx h ARG 17 Cb 0.92 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 2kbx h ARG 17 CO 0.09 0.86 -0.40 1.25 -1.51 0.00 0.00 179.97 180.25 2kbx h LEU 18 N 1.01 -1.26 -0.35 3.80 6.46 -0.94 0.90 115.31 124.92 2kbx h LEU 18 Ca 0.24 0.14 -0.18 0.00 -0.12 0.00 0.00 57.88 57.96 2kbx h LEU 18 Cb 0.19 0.48 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 2kbx h LEU 18 CO -0.02 -0.38 -0.83 4.11 -0.62 0.00 0.00 178.44 180.69 2kbx h TRP 19 N -0.48 0.11 0.00 1.25 5.08 -1.48 -3.15 115.95 117.28 2kbx h TRP 19 Ca 0.01 -0.06 -0.04 0.00 1.08 0.00 0.00 58.89 59.89 2kbx h TRP 19 Cb 0.53 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.67 2kbx h TRP 19 CO -0.51 0.87 -0.19 1.25 -1.28 0.00 0.00 178.44 178.58 2kbx h LEU 20 N 0.04 0.00 -3.97 0.11 6.46 -0.43 -3.25 115.31 114.27 2kbx h LEU 20 Ca -0.02 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.50 2kbx h LEU 20 Cb 1.46 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.30 2kbx h LEU 20 CO 0.12 0.19 -0.13 -0.90 -0.62 0.00 0.00 178.44 177.09 2kbx n ASP 21 N -3.32 5.59 -4.71 1.25 5.68 0.31 -4.91 116.55 116.43 2kbx n ASP 21 Ca 0.00 -2.66 -0.42 0.00 -0.50 0.00 0.00 54.79 51.21 2kbx n ASP 21 Cb 0.43 -1.33 -0.03 0.00 -1.14 0.00 0.00 41.12 39.05 2kbx n ASP 21 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2kbx s ASN 22 N 1.55 7.20 0.00 -1.12 0.02 -1.23 -4.88 114.94 116.47 2kbx s ASN 22 Ca 0.55 1.89 0.21 0.00 -1.02 0.00 0.00 52.86 54.50 2kbx s ASN 22 Cb 0.29 -2.58 1.00 0.00 0.02 0.00 0.00 41.25 39.98 2kbx s ASN 22 CO -0.05 -0.38 1.68 0.35 0.02 0.00 0.00 177.10 178.72 2kbx n THR 23 N 3.82 0.44 -0.03 1.60 -2.24 -1.26 -2.53 114.28 114.07 2kbx n THR 23 Ca 0.07 0.11 0.02 0.00 -2.27 0.00 0.00 64.05 61.98 2kbx n THR 23 Cb 0.48 -0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 67.84 2kbx n THR 23 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kbx n GLU 24 N -1.39 0.94 -2.89 -0.78 4.07 -1.26 -5.06 120.64 114.28 2kbx n GLU 24 Ca 0.08 -0.09 -0.09 0.00 -0.06 0.00 0.00 57.16 56.99 2kbx n GLU 24 Cb 0.21 -1.37 0.01 0.00 -0.06 0.00 0.00 31.44 30.23 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2kbx n ASN 25 N -2.24 -7.81 0.00 4.31 5.03 -1.05 -4.97 115.26 108.52 2kbx n ASN 25 Ca -0.11 0.55 0.00 0.00 0.87 0.00 0.00 54.58 55.89 2kbx n ASN 25 Cb 0.63 -5.15 0.00 0.00 -1.02 0.00 0.00 39.78 34.23 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 -0.23 0.00 0.00 6.41 8.00 -1.26 -4.76 116.55 124.71 2kbx n ASP 26 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2kbx n ASP 26 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 -1.43 0.00 -1.36 0.64 4.77 -1.26 -2.38 117.00 115.98 2kbx n LEU 27 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2kbx n LEU 27 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2kbx n LEU 27 CO 0.00 -0.21 0.50 -3.20 -1.33 0.00 0.00 177.39 173.14 2kbx n ASN 28 N -1.17 2.75 -4.72 -1.43 5.15 -1.26 -4.80 115.26 109.78 2kbx n ASN 28 Ca 0.00 -1.62 -0.41 0.00 -0.60 0.00 0.00 54.58 51.94 2kbx n ASN 28 Cb 0.05 -0.54 -0.04 0.00 -0.53 0.00 0.00 39.78 38.72 2kbx n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kbx s GLN 29 N 0.55 4.65 0.00 1.20 -2.07 -1.00 -4.81 119.66 118.18 2kbx s GLN 29 Ca 0.00 1.42 0.00 0.00 -1.82 0.00 0.00 55.36 54.96 2kbx s GLN 29 Cb 0.00 -3.40 0.00 0.00 -1.09 0.00 0.00 33.01 28.52 2kbx s GLN 29 CO 0.00 0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.52 2kbx n GLY 30 N 2.45 0.84 3.33 2.60 0.00 -1.26 -4.60 105.19 108.56 2kbx n GLY 30 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 2kbx n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kbx s ASP 31 N -1.00 1.34 0.26 1.61 2.15 0.12 -4.87 116.67 116.29 2kbx s ASP 31 Ca 0.00 -1.43 0.25 0.00 0.43 0.00 0.00 52.55 51.80 2kbx s ASP 31 Cb 0.00 0.22 0.91 0.00 -0.30 0.00 0.00 42.92 43.75 2kbx s ASP 31 CO 0.00 -0.77 1.75 -0.78 -0.17 0.00 0.00 175.17 175.20 2kbx h ASP 32 N 2.32 0.00 0.55 -0.34 3.58 -1.99 -2.58 116.42 117.96 2kbx h ASP 32 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2kbx h ASP 32 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2kbx h ASP 32 CO 0.59 0.00 -0.55 1.41 -2.88 0.00 0.00 179.24 177.81 2kbx n HIS 33 N -2.33 0.09 0.00 0.28 -0.00 -1.26 -4.93 115.22 107.08 2kbx n HIS 33 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2kbx n HIS 33 Cb 0.32 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kbx n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kbx n GLY 34 N 1.47 1.63 3.69 -1.41 0.00 -0.97 -4.13 105.19 105.47 2kbx n GLY 34 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 3.41 0.47 1.61 0.08 -1.26 -4.52 117.98 115.78 2kbx s PHE 35 Ca 0.00 0.59 0.05 0.00 0.12 0.00 0.00 56.93 57.69 2kbx s PHE 35 Cb 0.00 -2.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.04 2kbx s PHE 35 CO 0.00 0.10 0.66 -1.12 -0.10 0.00 0.00 175.22 174.76 2kbx s SER 36 N 0.80 5.52 0.05 1.36 0.01 -1.26 0.12 113.70 120.29 2kbx s SER 36 Ca 0.17 -0.20 -0.24 0.00 1.31 0.00 0.00 55.95 56.99 2kbx s SER 36 Cb -0.14 -0.82 -0.17 0.00 0.21 0.00 0.00 66.02 65.10 2kbx s SER 36 CO 0.06 -0.91 1.55 1.55 0.41 0.00 0.00 173.24 175.91 2kbx h PRO 37 N 0.40 -0.06 -0.39 12.44 0.13 -1.87 -2.15 132.00 140.50 2kbx h PRO 37 Ca -0.41 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.78 2kbx h PRO 37 Cb 1.28 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2kbx h PRO 37 CO 0.49 0.13 0.27 1.25 -0.23 0.00 0.00 178.00 179.91 2kbx h LEU 38 N -0.24 0.22 0.34 1.56 6.46 -1.98 -1.31 115.31 120.36 2kbx h LEU 38 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2kbx h LEU 38 Cb 0.21 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2kbx h LEU 38 CO 0.01 0.14 -0.26 0.45 -0.62 0.00 0.00 178.44 178.16 2kbx h HIS 39 N 0.25 -0.69 -0.30 1.25 3.86 -1.78 0.40 115.15 118.15 2kbx h HIS 39 Ca 0.17 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2kbx h HIS 39 Cb 0.37 0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2kbx h HIS 39 CO -0.00 -0.39 0.15 -1.49 0.86 0.00 0.00 177.93 177.06 2kbx h TRP 40 N -0.60 0.42 -0.22 2.45 4.06 -1.05 -2.49 115.95 118.52 2kbx h TRP 40 Ca -0.03 -0.02 0.04 0.00 2.06 0.00 0.00 58.89 60.95 2kbx h TRP 40 Cb 0.52 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.52 2kbx h TRP 40 CO -0.13 0.36 -0.01 0.00 -3.56 0.00 0.00 178.44 175.10 2kbx h ALA 41 N 1.02 0.18 -0.92 1.49 0.00 -0.98 -1.13 119.26 118.93 2kbx h ALA 41 Ca 0.10 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.22 2kbx h ALA 41 Cb 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2kbx h ALA 41 CO -0.01 -0.44 0.59 0.00 0.00 0.00 0.00 179.25 179.39 2kbx h ARG 43 N 0.76 0.84 0.47 0.00 2.43 -0.80 -3.28 114.38 114.80 2kbx h ARG 43 Ca 0.46 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2kbx h ARG 43 Cb 0.67 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2kbx h ARG 43 CO -0.22 1.01 -0.41 1.49 -1.51 0.00 0.00 179.97 180.32 2kbx h GLU 44 N 0.65 -0.83 0.00 0.20 4.22 -0.12 -3.48 114.58 115.22 2kbx h GLU 44 Ca 0.09 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.59 2kbx h GLU 44 Cb 0.76 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2kbx h GLU 44 CO 0.06 -0.56 0.00 0.41 -2.18 0.00 0.00 179.01 176.74 2kbx n GLY 45 N -1.47 0.85 2.68 1.92 0.00 -1.00 -5.01 105.19 103.16 2kbx n GLY 45 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2kbx n GLY 45 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kbx n ARG 46 N 0.00 1.39 -0.44 1.61 1.85 -1.26 -4.64 116.66 115.16 2kbx n ARG 46 Ca 0.00 -1.08 0.35 0.00 -1.00 0.00 0.00 57.85 56.12 2kbx n ARG 46 Cb 0.00 -2.24 0.57 0.00 -1.05 0.00 0.00 32.46 29.73 2kbx n ARG 46 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2kbx n SER 47 N 4.24 0.09 0.00 2.89 7.64 -1.26 -2.53 113.62 124.69 2kbx n SER 47 Ca 0.30 0.93 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2kbx n SER 47 Cb 0.12 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbx n ALA 48 N -2.62 0.00 -0.34 -0.43 0.00 -1.26 -0.36 120.51 115.50 2kbx n ALA 48 Ca 0.32 0.00 0.36 0.00 0.00 0.00 0.00 53.44 54.12 2kbx n ALA 48 Cb 1.35 0.01 0.62 0.00 0.00 0.00 0.00 19.45 21.44 2kbx n ALA 48 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2kbx h VAL 49 N 0.00 0.09 0.29 0.00 -1.51 -1.89 0.19 116.25 113.41 2kbx h VAL 49 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2kbx h VAL 49 Cb 0.00 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.29 2kbx h VAL 49 CO 0.00 0.00 -0.14 0.58 -1.23 0.00 0.00 177.57 176.78 2kbx h VAL 50 N 0.00 0.68 -0.97 7.19 2.07 -1.28 -2.77 116.25 121.18 2kbx h VAL 50 Ca 0.60 -0.70 0.18 0.00 0.82 0.00 0.00 66.70 67.60 2kbx h VAL 50 Cb 2.90 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 33.59 2kbx h VAL 50 CO -0.01 0.13 0.58 1.05 0.02 0.00 0.00 177.57 179.34 2kbx h GLU 51 N -0.80 0.73 -0.24 1.57 4.11 0.23 -0.10 114.58 120.08 2kbx h GLU 51 Ca -0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2kbx h GLU 51 Cb 0.51 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kbx h GLU 51 CO 0.07 0.48 0.15 0.52 0.07 0.00 0.00 179.01 180.30 2kbx h MET 52 N 0.75 0.32 -0.25 1.06 2.86 -1.46 -2.69 114.93 115.51 2kbx h MET 52 Ca 0.55 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.15 2kbx h MET 52 Cb 0.83 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2kbx h MET 52 CO -0.38 0.22 0.08 1.25 1.06 0.00 0.00 176.91 179.15 2kbx h LEU 53 N 0.31 0.37 -0.77 1.22 6.46 -0.83 -1.39 115.31 120.68 2kbx h LEU 53 Ca 0.09 -0.21 0.18 0.00 -0.12 0.00 0.00 57.88 57.82 2kbx h LEU 53 Cb -0.02 -0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 39.69 2kbx h LEU 53 CO -0.02 0.48 0.15 0.40 -0.62 0.00 0.00 178.44 178.83 2kbx h ILE 54 N 0.24 0.43 0.00 4.05 2.04 -0.85 0.15 117.51 123.57 2kbx h ILE 54 Ca 0.08 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 2kbx h ILE 54 Cb 0.24 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2kbx h ILE 54 CO -0.00 0.04 -0.48 0.24 0.00 0.00 0.00 178.15 177.95 2kbx h MET 55 N 0.22 0.00 -0.99 2.37 2.86 -1.30 -3.23 114.93 114.86 2kbx h MET 55 Ca 0.45 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 58.28 2kbx h MET 55 Cb 0.80 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.36 2kbx h MET 55 CO -0.57 0.48 0.62 -0.09 1.06 0.00 0.00 176.91 178.40 2kbx h ARG 56 N 0.00 0.65 0.00 1.72 9.65 0.45 -3.43 114.38 123.42 2kbx h ARG 56 Ca -0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2kbx h ARG 56 Cb 1.30 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2kbx h ARG 56 CO 0.06 0.43 0.00 0.41 2.80 0.00 0.00 179.97 183.67 2kbx n GLY 57 N -1.38 0.00 3.71 2.80 0.00 -1.17 -5.11 105.19 104.04 2kbx n GLY 57 Ca 0.23 0.00 -0.35 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 3.43 0.19 4.61 0.00 -1.22 -5.08 121.76 123.70 2kbx s ALA 58 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2kbx s ALA 58 Cb 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.35 2kbx s ALA 58 CO 0.00 0.48 1.16 1.03 0.00 0.00 0.00 175.76 178.43 2kbx s ARG 59 N -0.56 4.54 0.00 0.00 0.52 -1.26 -4.76 118.95 117.42 2kbx s ARG 59 Ca 0.10 1.82 0.26 0.00 -0.52 0.00 0.00 55.73 57.40 2kbx s ARG 59 Cb -0.12 -3.24 0.69 0.00 0.52 0.00 0.00 34.95 32.80 2kbx s ARG 59 CO 0.02 -0.01 1.53 -0.89 0.02 0.00 0.00 175.30 175.97 2kbx n ILE 60 N 2.29 0.00 1.58 1.52 -0.00 -1.26 -3.71 119.36 119.78 2kbx n ILE 60 Ca 0.03 -0.12 0.13 0.00 -0.00 0.00 0.00 62.75 62.80 2kbx n ILE 60 Cb 0.45 0.42 0.58 0.00 -0.00 0.00 0.00 39.64 41.09 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 -0.73 1.12 -4.42 4.38 0.23 -1.26 -4.43 115.26 110.15 2kbx n ASN 61 Ca 0.11 -1.43 -0.35 0.00 -0.53 0.00 0.00 54.58 52.38 2kbx n ASN 61 Cb 0.35 -0.02 0.08 0.00 -2.08 0.00 0.00 39.78 38.12 2kbx n ASN 61 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 2kbx n VAL 62 N -0.10 1.00 -3.88 3.53 0.24 -1.24 -4.95 118.33 112.92 2kbx n VAL 62 Ca 0.19 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 2kbx n VAL 62 Cb 0.28 -0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 31.88 2kbx n VAL 62 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2kbx s MET 63 N -3.00 0.07 0.76 7.34 -1.94 -1.26 -4.25 119.30 117.02 2kbx s MET 63 Ca 0.61 -0.07 -0.12 0.00 -1.71 0.00 0.00 55.69 54.40 2kbx s MET 63 Cb -0.29 0.03 0.05 0.00 2.01 0.00 0.00 34.83 36.62 2kbx s MET 63 CO 0.63 -0.01 1.10 -0.80 -0.01 0.00 0.00 175.02 175.93 2kbx s ASN 64 N -0.21 4.93 0.61 3.03 0.01 -1.04 -4.84 114.94 117.43 2kbx s ASN 64 Ca -0.02 1.17 0.33 0.00 -0.71 0.00 0.00 52.86 53.63 2kbx s ASN 64 Cb -0.02 -1.91 1.79 0.00 0.41 0.00 0.00 41.25 41.52 2kbx s ASN 64 CO -0.00 -1.68 2.00 0.08 -1.51 0.00 0.00 177.10 175.99 2kbx h ARG 65 N -0.89 0.00 -0.94 -0.60 0.11 -1.80 -1.29 114.38 108.97 2kbx h ARG 65 Ca -0.46 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.01 2kbx h ARG 65 Cb 1.27 0.00 -0.30 0.00 1.11 0.00 0.00 29.97 32.05 2kbx h ARG 65 CO 0.62 0.00 0.63 0.41 0.10 0.00 0.00 179.97 181.73 2kbx n GLY 66 N -1.18 5.62 3.14 0.08 0.00 -1.26 -4.96 105.19 106.62 2kbx n GLY 66 Ca -0.02 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.95 -6.77 -3.16 1.61 8.00 -0.49 -5.00 116.55 109.78 2kbx n ASP 67 Ca 0.59 0.45 0.03 0.00 0.71 0.00 0.00 54.79 56.57 2kbx n ASP 67 Cb 0.90 -3.03 -0.01 0.00 -0.02 0.00 0.00 41.12 38.96 2kbx n ASP 67 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kbx s ASP 68 N -1.57 -1.45 0.44 -2.24 1.01 -1.26 -4.80 116.67 106.80 2kbx s ASP 68 Ca 0.17 0.42 -0.10 0.00 0.71 0.00 0.00 52.55 53.74 2kbx s ASP 68 Cb -0.03 2.04 -0.06 0.00 1.01 0.00 0.00 42.92 45.88 2kbx s ASP 68 CO 0.57 -0.29 0.81 0.42 0.21 0.00 0.00 175.17 176.90 2kbx s THR 69 N 2.83 4.77 0.36 -1.27 -4.23 -1.26 -2.51 115.64 114.33 2kbx s THR 69 Ca 0.14 0.65 0.10 0.00 -1.18 0.00 0.00 61.69 61.40 2kbx s THR 69 Cb -0.12 -3.76 0.33 0.00 1.34 0.00 0.00 72.50 70.29 2kbx s THR 69 CO -0.24 -0.63 1.85 -0.65 -0.54 0.00 0.00 174.62 174.41 2kbx h PRO 70 N 0.96 0.62 -0.27 3.99 0.10 -1.78 -1.30 132.00 134.32 2kbx h PRO 70 Ca -0.47 -0.04 0.06 0.00 0.10 0.00 0.00 66.00 65.66 2kbx h PRO 70 Cb 1.19 -0.14 -0.06 0.00 0.10 0.00 0.00 31.00 32.09 2kbx h PRO 70 CO 0.63 0.41 -0.14 1.25 0.10 0.00 0.00 178.00 180.25 2kbx h LEU 71 N 0.64 -0.47 0.32 2.35 5.85 -1.92 1.76 115.31 123.84 2kbx h LEU 71 Ca 0.47 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.29 2kbx h LEU 71 Cb 0.84 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2kbx h LEU 71 CO -0.22 -0.18 -0.26 0.45 -0.34 0.00 0.00 178.44 177.89 2kbx h HIS 72 N -0.10 -0.72 -0.60 1.25 3.86 -1.61 0.66 115.15 117.88 2kbx h HIS 72 Ca 0.15 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.47 2kbx h HIS 72 Cb 0.32 0.27 -0.12 0.00 1.06 0.00 0.00 27.41 28.95 2kbx h HIS 72 CO -0.33 -0.37 -0.26 -0.07 0.86 0.00 0.00 177.93 177.76 2kbx h LEU 73 N -0.57 -0.93 0.38 2.43 3.38 -1.09 2.00 115.31 120.92 2kbx h LEU 73 Ca -0.04 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2kbx h LEU 73 Cb 0.48 0.50 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2kbx h LEU 73 CO 0.00 -0.27 -0.38 0.00 0.09 0.00 0.00 178.44 177.88 2kbx h ALA 74 N 1.25 -0.83 0.00 1.53 0.00 0.30 -1.27 119.26 120.25 2kbx h ALA 74 Ca 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2kbx h ALA 74 Cb 0.53 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kbx h ALA 74 CO -0.67 -1.00 -0.12 0.00 0.00 0.00 0.00 179.25 177.46 2kbx h ALA 75 N -0.37 1.29 -0.29 0.00 0.00 0.15 -2.75 119.26 117.30 2kbx h ALA 75 Ca -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kbx h ALA 75 Cb 0.70 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2kbx h ALA 75 CO -0.06 0.14 0.04 1.03 0.00 0.00 0.00 179.25 180.40 2kbx h SER 76 N 0.00 -0.02 0.60 0.00 0.87 0.44 -3.07 113.55 112.37 2kbx h SER 76 Ca -0.00 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2kbx h SER 76 Cb 0.33 0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2kbx h SER 76 CO 0.02 0.03 -0.29 0.45 -0.53 0.00 0.00 176.83 176.50 2kbx h HIS 77 N 0.15 -0.74 0.00 2.24 3.86 -1.20 -3.45 115.15 116.01 2kbx h HIS 77 Ca 0.14 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2kbx h HIS 77 Cb 0.15 0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2kbx h HIS 77 CO -0.18 -0.45 0.00 0.41 0.86 0.00 0.00 177.93 178.57 2kbx n GLY 78 N -0.29 0.09 3.57 2.45 0.00 -1.13 -4.95 105.19 104.93 2kbx n GLY 78 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.68 2.35 0.31 1.61 3.76 -1.25 -4.80 115.29 116.60 2kbx s HIS 79 Ca 0.00 -0.53 0.08 0.00 -0.15 0.00 0.00 55.06 54.46 2kbx s HIS 79 Cb 0.00 -4.45 0.86 0.00 1.11 0.00 0.00 32.58 30.10 2kbx s HIS 79 CO 0.00 -1.71 1.71 0.07 -0.85 0.00 0.00 174.74 173.95 2kbx h ARG 80 N 9.39 0.46 -0.10 1.40 0.11 -1.97 -2.57 114.38 121.10 2kbx h ARG 80 Ca 0.26 -0.03 0.03 0.00 0.10 0.00 0.00 59.98 60.34 2kbx h ARG 80 Cb 0.95 -0.10 -0.06 0.00 1.11 0.00 0.00 29.97 31.87 2kbx h ARG 80 CO 1.36 0.31 -0.53 0.22 0.10 0.00 0.00 179.97 181.42 2kbx h ASP 81 N 0.48 -1.67 -0.81 0.08 3.58 -2.00 0.40 116.42 116.47 2kbx h ASP 81 Ca 0.63 0.20 0.03 0.00 0.42 0.00 0.00 57.03 58.30 2kbx h ASP 81 Cb 1.23 0.65 -0.05 0.00 1.72 0.00 0.00 39.33 42.88 2kbx h ASP 81 CO -0.52 -0.49 0.52 -0.29 -2.88 0.00 0.00 179.24 175.59 2kbx h ILE 82 N -0.60 1.15 -0.15 2.25 2.10 -1.85 -2.42 117.51 117.99 2kbx h ILE 82 Ca 0.03 -0.35 0.03 0.00 1.08 0.00 0.00 64.86 65.64 2kbx h ILE 82 Cb 0.69 0.02 -0.03 0.00 -1.09 0.00 0.00 36.82 36.42 2kbx h ILE 82 CO -0.41 0.19 -0.02 0.58 -1.08 0.00 0.00 178.15 177.41 2kbx h VAL 83 N 1.03 0.88 -0.01 2.19 2.07 -1.09 -2.31 116.25 119.00 2kbx h VAL 83 Ca 0.32 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.86 2kbx h VAL 83 Cb -0.02 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2kbx h VAL 83 CO -0.10 0.01 -0.19 1.56 0.02 0.00 0.00 177.57 178.86 2kbx h GLN 84 N 0.03 -0.29 0.00 1.57 1.08 0.23 0.11 115.11 117.84 2kbx h GLN 84 Ca 0.07 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2kbx h GLN 84 Cb 0.09 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2kbx h GLN 84 CO -0.13 -0.19 0.00 1.57 -0.95 0.00 0.00 178.83 179.13 2kbx h LYS 85 N -0.30 0.00 0.00 1.46 2.10 -1.37 -0.26 116.57 118.20 2kbx h LYS 85 Ca 0.06 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.55 2kbx h LYS 85 Cb 0.38 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 2kbx h LYS 85 CO -0.19 0.00 -0.96 1.25 -2.00 0.00 0.00 179.45 177.55 2kbx h LEU 86 N 0.00 0.00 -1.15 7.07 6.46 -0.53 -2.72 115.31 124.44 2kbx h LEU 86 Ca 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 2kbx h LEU 86 Cb 0.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2kbx h LEU 86 CO 0.00 0.69 -0.37 -0.07 -0.62 0.00 0.00 178.44 178.07 2kbx h LEU 87 N 0.00 0.00 0.00 2.25 -0.00 0.78 -2.65 115.31 115.69 2kbx h LEU 87 Ca -0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.68 2kbx h LEU 87 Cb 1.59 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.23 2kbx h LEU 87 CO 0.08 0.37 -1.43 0.00 -0.00 0.00 0.00 178.44 177.46 2kbx n GLN 88 N -3.73 0.62 0.03 1.13 6.02 -1.07 -3.35 117.38 117.04 2kbx n GLN 88 Ca -0.01 0.16 -0.02 0.00 -0.01 0.00 0.00 57.00 57.12 2kbx n GLN 88 Cb 0.45 -1.77 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 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 -0.10 0.00 1.08 -1.99 -1.34 -3.43 116.97 111.19 2kbx h TYR 89 Ca -0.14 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.59 2kbx h TYR 89 Cb 1.45 0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.22 2kbx h TYR 89 CO 0.00 -0.06 0.00 1.63 -0.00 0.00 0.00 178.16 179.73 2kbx n LYS 90 N -2.73 -0.52 -3.89 4.88 4.01 -1.14 -5.03 118.16 113.75 2kbx n LYS 90 Ca -0.01 -0.36 -0.29 0.00 -0.51 0.00 0.00 58.31 57.14 2kbx n LYS 90 Cb 0.04 -0.82 0.00 0.00 -0.51 0.00 0.00 35.03 33.74 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kbx n ALA 91 N -0.02 -2.22 0.86 7.82 0.00 -1.01 -4.74 120.51 121.21 2kbx n ALA 91 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2kbx n ALA 91 Cb 0.10 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2kbx n ALA 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kbx n ASP 92 N -2.83 0.70 -0.02 0.00 2.03 -1.26 -3.33 116.55 111.84 2kbx n ASP 92 Ca -0.23 -1.57 -0.16 0.00 0.52 0.00 0.00 54.79 53.35 2kbx n ASP 92 Cb 0.65 -0.35 -0.10 0.00 -0.72 0.00 0.00 41.12 40.60 2kbx n ASP 92 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2kbx h ILE 93 N 0.00 1.44 0.00 5.18 2.10 -1.92 -2.94 117.51 121.38 2kbx h ILE 93 Ca 0.00 -1.86 0.00 0.00 1.08 0.00 0.00 64.86 64.08 2kbx h ILE 93 Cb 0.35 2.46 0.00 0.00 -1.09 0.00 0.00 36.82 38.54 2kbx h ILE 93 CO 0.00 0.54 0.00 -0.46 -1.08 0.00 0.00 178.15 177.15 2kbx n ASN 94 N -4.37 0.00 -4.16 2.19 0.23 -1.21 -4.45 115.26 103.49 2kbx n ASN 94 Ca -0.09 -0.40 -0.38 0.00 -0.53 0.00 0.00 54.58 53.18 2kbx n ASN 94 Cb 0.56 -0.18 -0.11 0.00 -2.08 0.00 0.00 39.78 37.97 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 -2.35 3.20 1.17 -2.53 0.00 -1.11 -5.09 121.76 115.05 2kbx s ALA 95 Ca 0.32 -2.44 -0.17 0.00 0.00 0.00 0.00 51.96 49.67 2kbx s ALA 95 Cb 0.19 -2.51 0.25 0.00 0.00 0.00 0.00 23.12 21.05 2kbx s ALA 95 CO 0.38 -1.77 1.00 1.33 0.00 0.00 0.00 175.76 176.70 2kbx n VAL 96 N 4.71 0.00 0.00 0.00 0.24 -1.26 -4.87 118.33 117.14 2kbx n VAL 96 Ca -0.05 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 2kbx n VAL 96 Cb 0.41 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 2kbx n VAL 96 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2kbx n ASN 97 N -4.42 0.00 -0.00 -1.34 2.04 -1.25 -4.89 115.26 105.39 2kbx n ASN 97 Ca 0.14 0.00 0.06 0.00 -0.44 0.00 0.00 54.58 54.33 2kbx n ASN 97 Cb 0.51 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.68 2kbx n ASN 97 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2kbx n GLU 98 N 0.00 1.51 -0.22 -3.83 1.02 -1.26 -4.43 120.64 113.43 2kbx n GLU 98 Ca 0.00 -0.06 0.08 0.00 -0.02 0.00 0.00 57.16 57.16 2kbx n GLU 98 Cb 0.00 -1.19 0.20 0.00 -0.02 0.00 0.00 31.44 30.43 2kbx n GLU 98 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kbx n HIS 99 N -1.65 0.58 -1.09 -0.32 8.25 -1.26 -4.94 115.22 114.78 2kbx n HIS 99 Ca -0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 2kbx n HIS 99 Cb 0.26 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 1.00 0.61 3.56 -1.41 0.00 -1.26 -4.70 105.19 102.98 2kbx n GLY 100 Ca 0.16 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.77 5.64 0.25 1.61 0.02 -1.26 -4.72 114.94 113.70 2kbx s ASN 101 Ca 0.00 -1.11 -0.30 0.00 -1.02 0.00 0.00 52.86 50.43 2kbx s ASN 101 Cb 0.00 -2.57 -0.09 0.00 0.02 0.00 0.00 41.25 38.61 2kbx s ASN 101 CO 0.00 -2.32 1.07 -0.69 0.02 0.00 0.00 177.10 175.18 2kbx s VAL 102 N 8.31 3.68 0.45 1.60 1.01 -1.26 -3.91 120.40 130.28 2kbx s VAL 102 Ca 0.62 1.64 0.24 0.00 0.00 0.00 0.00 61.98 64.47 2kbx s VAL 102 Cb -0.03 -4.04 0.43 0.00 0.00 0.00 0.00 36.38 32.74 2kbx s VAL 102 CO -0.02 0.37 1.81 -0.65 0.00 0.00 0.00 175.10 176.61 2kbx h PRO 103 N 4.14 0.25 -0.03 2.72 0.11 -1.91 0.24 132.00 137.52 2kbx h PRO 103 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kbx h PRO 103 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kbx h PRO 103 CO 0.68 0.17 0.01 1.25 -0.21 0.00 0.00 178.00 179.90 2kbx h LEU 104 N 0.26 0.05 -0.65 2.35 7.12 -1.95 0.32 115.31 122.81 2kbx h LEU 104 Ca 0.54 -0.19 0.12 0.00 0.13 0.00 0.00 57.88 58.48 2kbx h LEU 104 Cb 1.62 -0.01 -0.12 0.00 -0.53 0.00 0.00 40.66 41.62 2kbx h LEU 104 CO -0.17 0.22 -0.28 0.45 -0.13 0.00 0.00 178.44 178.53 2kbx h HIS 105 N -0.13 -0.73 -0.07 1.25 3.86 -1.30 1.51 115.15 119.53 2kbx h HIS 105 Ca 0.01 0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2kbx h HIS 105 Cb 0.19 0.42 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 2kbx h HIS 105 CO -0.01 -0.36 -0.03 1.88 0.86 0.00 0.00 177.93 180.27 2kbx h TYR 106 N -0.10 0.17 -0.33 2.45 -1.99 -1.37 -0.20 116.97 115.59 2kbx h TYR 106 Ca 0.28 -0.04 0.06 0.00 2.00 0.00 0.00 58.73 61.02 2kbx h TYR 106 Cb 0.54 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.18 2kbx h TYR 106 CO -0.62 0.51 -0.00 0.00 -0.00 0.00 0.00 178.16 178.05 2kbx h ALA 107 N 0.64 0.30 -0.09 3.88 0.00 0.14 -0.99 119.26 123.13 2kbx h ALA 107 Ca 0.02 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2kbx h ALA 107 Cb 0.46 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2kbx h ALA 107 CO 0.01 -0.40 -0.36 0.00 0.00 0.00 0.00 179.25 178.49 2kbx h PHE 109 N 0.17 0.00 0.00 0.00 3.57 0.28 -3.22 116.94 117.73 2kbx h PHE 109 Ca 0.02 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2kbx h PHE 109 Cb 0.72 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2kbx h PHE 109 CO 0.01 0.05 -0.82 0.91 -2.23 0.00 0.00 178.31 176.23 2kbx n TRP 110 N -3.40 0.61 0.00 0.41 7.02 -0.78 -5.02 117.44 116.28 2kbx n TRP 110 Ca -0.02 0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.73 2kbx n TRP 110 Cb 0.19 -0.73 0.00 0.00 -2.42 0.00 0.00 31.31 28.35 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 1.54 -0.37 3.71 6.99 0.00 -0.61 -5.11 105.19 111.33 2kbx n GLY 111 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 4.28 -0.07 1.61 -1.52 -1.01 -4.92 119.66 118.03 2kbx s GLN 112 Ca 0.00 2.15 -0.08 0.00 -1.95 0.00 0.00 55.36 55.48 2kbx s GLN 112 Cb 0.00 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.44 2kbx s GLN 112 CO 0.00 -0.53 -0.15 -0.40 -0.25 0.00 0.00 175.29 173.96 2kbx n ASP 113 N 4.37 0.93 -0.20 5.90 5.75 -1.26 -4.03 116.55 128.02 2kbx n ASP 113 Ca 0.13 0.16 0.01 0.00 -0.01 0.00 0.00 54.79 55.07 2kbx n ASP 113 Cb 0.42 -0.56 0.10 0.00 -1.03 0.00 0.00 41.12 40.04 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 -0.44 0.14 -0.70 0.11 5.75 -2.00 -0.68 115.11 117.29 2kbx h GLN 114 Ca 0.00 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 2kbx h GLN 114 Cb 0.44 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 2kbx h GLN 114 CO 0.00 0.09 0.22 -0.39 -2.65 0.00 0.00 178.83 176.10 2kbx h VAL 115 N 0.14 1.26 -0.73 2.39 -1.51 -1.94 -2.52 116.25 113.34 2kbx h VAL 115 Ca 0.31 -0.88 0.09 0.00 -1.23 0.00 0.00 66.70 65.00 2kbx h VAL 115 Cb 0.50 0.51 -0.07 0.00 -2.13 0.00 0.00 31.29 30.10 2kbx h VAL 115 CO -0.49 0.34 0.38 0.00 -1.23 0.00 0.00 177.57 176.57 2kbx h ALA 116 N 1.10 1.01 0.53 5.19 0.00 -1.29 0.10 119.26 125.90 2kbx h ALA 116 Ca 0.23 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2kbx h ALA 116 Cb 0.30 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kbx h ALA 116 CO -0.01 -0.01 -0.25 1.49 0.00 0.00 0.00 179.25 180.47 2kbx h GLU 117 N 0.65 -0.69 -0.70 0.00 4.57 -1.07 -2.78 114.58 114.57 2kbx h GLU 117 Ca 0.35 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.67 2kbx h GLU 117 Cb 0.35 0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 2kbx h GLU 117 CO -0.26 -0.39 0.34 -0.44 -1.18 0.00 0.00 179.01 177.09 2kbx h ASP 118 N -0.89 0.45 0.53 1.04 3.32 -1.04 0.28 116.42 120.11 2kbx h ASP 118 Ca -0.07 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2kbx h ASP 118 Cb 0.61 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2kbx h ASP 118 CO 0.12 0.26 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.33 2kbx h LEU 119 N 0.59 -1.36 -0.59 1.55 3.38 -0.72 0.65 115.31 118.81 2kbx h LEU 119 Ca 0.34 0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.32 2kbx h LEU 119 Cb 0.35 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2kbx h LEU 119 CO -0.26 -0.67 -0.00 -0.37 0.09 0.00 0.00 178.44 177.22 2kbx h VAL 120 N -1.02 1.27 0.00 1.22 -1.51 -1.33 -0.48 116.25 114.39 2kbx h VAL 120 Ca -0.07 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 2kbx h VAL 120 Cb 0.88 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2kbx h VAL 120 CO -0.04 0.41 0.00 0.00 -1.23 0.00 0.00 177.57 176.71 2kbx n ALA 121 N -2.48 1.65 0.90 5.19 0.00 0.97 -1.31 120.51 125.44 2kbx n ALA 121 Ca 0.02 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2kbx n ALA 121 Cb 0.35 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.31 0.91 0.00 0.00 5.15 0.22 -4.95 115.26 115.28 2kbx n ASN 122 Ca 0.05 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 2kbx n ASN 122 Cb 0.09 1.01 0.00 0.00 -0.53 0.00 0.00 39.78 40.35 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 1.45 1.04 0.23 8.20 0.00 -0.42 -5.00 105.19 110.69 2kbx n GLY 123 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 1.63 -3.01 4.61 0.00 -1.46 -3.49 119.26 117.55 2kbx h ALA 124 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kbx h ALA 124 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kbx h ALA 124 CO 0.00 0.27 -0.77 -0.11 0.00 0.00 0.00 179.25 178.65 2kbx n LEU 125 N -4.30 -1.56 0.00 0.00 7.94 -1.22 -4.59 117.00 113.27 2kbx n LEU 125 Ca -0.02 2.36 0.11 0.00 -1.11 0.00 0.00 56.01 57.35 2kbx n LEU 125 Cb 0.25 -2.30 0.11 0.00 0.53 0.00 0.00 43.42 42.01 2kbx n LEU 125 CO 0.37 -0.32 0.25 0.55 -1.11 0.00 0.00 177.39 177.13 2kbx n VAL 126 N -1.91 0.01 -1.26 1.96 3.14 -1.26 -4.10 118.33 114.91 2kbx n VAL 126 Ca 0.00 -0.01 -0.28 0.00 -2.96 0.00 0.00 64.34 61.09 2kbx n VAL 126 Cb 0.26 0.52 0.14 0.00 -1.06 0.00 0.00 33.84 33.70 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 -1.52 5.36 0.21 6.55 2.88 -1.26 -4.61 113.62 121.23 2kbx n SER 127 Ca 0.05 -3.68 -0.14 0.00 -1.33 0.00 0.00 58.87 53.77 2kbx n SER 127 Cb 0.34 -0.90 -0.08 0.00 -0.75 0.00 0.00 64.21 62.82 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 1.00 0.55 -1.96 2.46 1.08 -1.81 -3.49 117.51 115.34 2kbx h ILE 128 Ca 0.62 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 2kbx h ILE 128 Cb 2.03 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.53 2kbx h ILE 128 CO 1.30 0.08 0.00 0.00 -0.69 0.00 0.00 178.15 178.84 2kbx n ASN 130 N -0.01 -2.71 0.30 0.00 4.05 -1.26 -4.38 115.26 111.25 2kbx n ASN 130 Ca 0.00 -0.25 0.13 0.00 0.45 0.00 0.00 54.58 54.90 2kbx n ASN 130 Cb 0.00 -0.86 0.68 0.00 1.23 0.00 0.00 39.78 40.83 2kbx n ASN 130 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 2kbx h LYS 131 N -2.32 0.00 0.00 1.20 3.64 -1.84 0.56 116.57 117.80 2kbx h LYS 131 Ca -0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2kbx h LYS 131 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2kbx h LYS 131 CO 0.29 0.00 -0.24 0.66 -2.27 0.00 0.00 179.45 177.89 2kbx n TYR 132 N -2.70 0.00 -1.07 1.91 4.01 -1.26 -4.95 117.16 113.10 2kbx n TYR 132 Ca -0.02 -0.58 -0.02 0.00 -0.16 0.00 0.00 57.90 57.12 2kbx n TYR 132 Cb 0.41 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 39.32 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 -0.80 0.52 3.57 2.72 0.00 0.19 -4.89 105.19 106.50 2kbx n GLY 133 Ca 0.09 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.31 1.99 0.16 1.61 2.02 -1.26 -4.39 118.70 117.52 2kbx s GLU 134 Ca 0.00 -0.27 0.05 0.00 0.02 0.00 0.00 54.97 54.78 2kbx s GLU 134 Cb 0.00 -5.00 -0.04 0.00 0.10 0.00 0.00 34.13 29.19 2kbx s GLU 134 CO 0.00 -4.24 0.09 -1.64 0.02 0.00 0.00 175.26 169.49 2kbx s MET 135 N 7.74 2.76 0.47 1.61 -1.94 -1.26 -4.07 119.30 124.60 2kbx s MET 135 Ca 0.78 -0.92 0.21 0.00 -1.71 0.00 0.00 55.69 54.05 2kbx s MET 135 Cb -0.07 -2.57 1.20 0.00 2.01 0.00 0.00 34.83 35.40 2kbx s MET 135 CO 0.08 0.48 1.92 -1.35 -0.01 0.00 0.00 175.02 176.15 2kbx h PRO 136 N 2.57 0.25 -0.86 2.03 0.11 -1.90 -0.92 132.00 133.27 2kbx h PRO 136 Ca -0.47 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.78 2kbx h PRO 136 Cb 1.20 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 2kbx h PRO 136 CO 0.62 0.16 0.43 0.28 -0.21 0.00 0.00 178.00 179.29 2kbx h VAL 137 N 0.26 0.70 0.02 3.15 2.07 -1.94 1.98 116.25 122.48 2kbx h VAL 137 Ca 0.37 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 2kbx h VAL 137 Cb 1.08 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2kbx h VAL 137 CO -0.09 0.11 -0.01 -0.78 0.02 0.00 0.00 177.57 176.82 2kbx h ASP 138 N 0.60 -0.02 0.08 0.57 3.58 -1.53 -2.11 116.42 117.59 2kbx h ASP 138 Ca 0.48 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2kbx h ASP 138 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2kbx h ASP 138 CO -0.38 0.81 0.00 0.29 -2.88 0.00 0.00 179.24 177.08 2kbx n LYS 139 N -4.69 0.03 0.01 0.28 5.02 -0.95 -0.88 118.16 116.99 2kbx n LYS 139 Ca -0.08 0.50 -0.16 0.00 -2.02 0.00 0.00 58.31 56.55 2kbx n LYS 139 Cb 0.36 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 2kbx n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kbx h ALA 140 N 2.06 0.53 -0.01 7.82 0.00 0.33 -3.33 119.26 126.66 2kbx h ALA 140 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.54 2kbx h ALA 140 Cb 0.04 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kbx h ALA 140 CO 0.00 1.38 -0.13 1.17 0.00 0.00 0.00 179.25 181.67 2kbx n LYS 141 N -3.32 0.86 0.10 0.00 4.81 -0.06 -2.58 118.16 117.97 2kbx n LYS 141 Ca -0.24 -0.37 -0.12 0.00 -0.87 0.00 0.00 58.31 56.72 2kbx n LYS 141 Cb 1.05 -1.49 -0.08 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 h ALA 142 N 3.74 -0.31 -0.28 3.14 0.00 -1.31 -2.79 119.26 121.45 2kbx h ALA 142 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2kbx h ALA 142 Cb 0.39 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2kbx h ALA 142 CO 0.00 -0.41 0.24 -1.35 0.00 0.00 0.00 179.25 177.72 2kbx h PRO 143 N -0.83 0.00 0.00 0.00 0.11 -1.76 -3.44 132.00 126.07 2kbx h PRO 143 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2kbx h PRO 143 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2kbx h PRO 143 CO 0.05 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 177.73 2kbx n LEU 144 N -4.13 0.00 0.13 2.35 7.94 -1.05 -5.05 117.00 117.19 2kbx n LEU 144 Ca 0.04 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.88 2kbx n LEU 144 Cb 0.39 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.31 2kbx n LEU 144 CO 0.32 0.00 0.40 0.03 -1.11 0.00 0.00 177.39 177.03 2kbx h ARG 145 N 0.00 -0.34 0.00 1.96 3.08 -1.70 -3.44 114.38 113.94 2kbx h ARG 145 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kbx h ARG 145 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2kbx h ARG 145 CO 0.00 -0.23 0.00 -1.91 -1.07 0.00 0.00 179.97 176.76 2kbx n GLU 146 N -3.15 0.00 0.04 0.04 2.13 -1.26 -4.40 120.64 114.05 2kbx n GLU 146 Ca -0.04 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.70 2kbx n GLU 146 Cb 0.14 -2.88 -0.12 0.00 0.27 0.00 0.00 31.44 28.84 2kbx n GLU 146 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2kbx h LEU 147 N 0.00 0.00 -0.54 4.31 -0.00 -1.93 -2.75 115.31 114.40 2kbx h LEU 147 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 2kbx h LEU 147 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2kbx h LEU 147 CO 0.00 1.00 -0.41 0.25 -0.00 0.00 0.00 178.44 179.27 2kbx h LEU 148 N 0.00 0.00 -0.23 0.17 5.85 -1.94 -2.33 115.31 116.82 2kbx h LEU 148 Ca -0.07 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 2kbx h LEU 148 Cb 1.82 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 2kbx h LEU 148 CO 0.12 0.41 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.39 2kbx h ARG 149 N 0.00 0.51 -0.46 1.25 2.43 -1.84 -2.72 114.38 113.55 2kbx h ARG 149 Ca -0.00 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 58.81 2kbx h ARG 149 Cb 1.10 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2kbx h ARG 149 CO 0.05 0.80 -0.17 0.93 -1.51 0.00 0.00 179.97 180.07 2kbx h GLU 150 N 0.21 0.90 -0.99 0.20 5.08 -1.41 0.13 114.58 118.71 2kbx h GLU 150 Ca 0.05 -0.35 0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2kbx h GLU 150 Cb 0.67 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 2kbx h GLU 150 CO 0.04 1.00 0.62 -0.09 -1.00 0.00 0.00 179.01 179.58 2kbx h ARG 151 N 0.79 0.90 0.05 2.33 9.65 -1.29 0.71 114.38 127.51 2kbx h ARG 151 Ca 0.11 -0.05 -0.31 0.00 -1.10 0.00 0.00 59.98 58.63 2kbx h ARG 151 Cb 0.71 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 2kbx h ARG 151 CO 0.05 0.59 -1.77 0.00 2.80 0.00 0.00 179.97 181.65 2kbx h ALA 152 N 1.56 0.63 -0.00 2.80 0.00 -1.24 -3.19 119.26 119.82 2kbx h ALA 152 Ca 0.50 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2kbx h ALA 152 Cb 0.56 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kbx h ALA 152 CO -0.27 1.47 -0.00 0.39 0.00 0.00 0.00 179.25 180.84 2kbx n GLU 153 N -3.21 0.58 -0.03 0.00 1.02 0.43 -3.09 120.64 116.34 2kbx n GLU 153 Ca -0.21 -0.00 0.02 0.00 -0.02 0.00 0.00 57.16 56.95 2kbx n GLU 153 Cb 1.05 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 31.01 2kbx n GLU 153 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2kbx n LYS 154 N -1.20 1.36 0.08 3.49 2.85 0.24 -3.87 118.16 121.11 2kbx n LYS 154 Ca 0.17 -1.26 0.13 0.00 -1.05 0.00 0.00 58.31 56.30 2kbx n LYS 154 Cb 0.21 -1.09 0.35 0.00 -0.65 0.00 0.00 35.03 33.84 2kbx n LYS 154 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2kbx n MET 155 N 0.05 0.25 0.00 -1.58 1.56 -1.18 -4.91 117.12 111.30 2kbx n MET 155 Ca 0.03 0.16 0.00 0.00 -0.27 0.00 0.00 57.70 57.62 2kbx n MET 155 Cb 0.22 -1.74 0.00 0.00 2.15 0.00 0.00 33.22 33.84 2kbx n MET 155 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kbx n GLY 156 N 1.34 0.72 0.00 -5.12 0.00 -1.26 -5.06 105.19 95.80 2kbx n GLY 156 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2kbx n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kbx n GLN 157 N 0.00 0.00 -0.10 1.61 0.00 -1.26 -4.98 117.38 112.65 2kbx n GLN 157 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.85 2kbx n GLN 157 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 2kbx n GLN 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2kbx n ASN 158 N -0.23 2.29 -3.99 2.61 4.13 -1.26 -4.67 115.26 114.14 2kbx n ASN 158 Ca 0.00 -0.02 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 2kbx n ASN 158 Cb 0.00 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 2kbx n ASN 158 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kbx n LEU 159 N -3.24 6.32 -4.43 3.41 -0.00 -1.25 -4.92 117.00 112.89 2kbx n LEU 159 Ca -0.35 -4.38 -0.41 0.00 -0.00 0.00 0.00 56.01 50.87 2kbx n LEU 159 Cb 0.84 -1.58 -0.11 0.00 -0.00 0.00 0.00 43.42 42.56 2kbx n LEU 159 CO 0.15 1.07 -0.13 0.54 -0.00 0.00 0.00 177.39 179.01 2kbx s ASN 160 N 2.23 5.86 0.84 1.45 2.20 -1.26 -4.99 114.94 121.27 2kbx s ASN 160 Ca 0.44 -0.82 -0.15 0.00 -0.94 0.00 0.00 52.86 51.39 2kbx s ASN 160 Cb 0.08 -2.08 -0.02 0.00 -2.00 0.00 0.00 41.25 37.24 2kbx s ASN 160 CO -0.02 -0.36 0.34 0.54 -2.94 0.00 0.00 177.10 174.67 2kbx n ARG 161 N 5.06 0.02 -1.59 3.55 3.00 -1.26 -4.70 116.66 120.74 2kbx n ARG 161 Ca -0.12 0.05 -0.44 0.00 -0.01 0.00 0.00 57.85 57.33 2kbx n ARG 161 Cb 0.47 -1.74 -0.04 0.00 0.00 0.00 0.00 32.46 31.15 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 -2.87 0.37 -1.87 0.55 -6.64 -1.26 -4.89 119.36 102.75 2kbx n ILE 162 Ca 0.08 -0.39 -0.42 0.00 -1.77 0.00 0.00 62.75 60.24 2kbx n ILE 162 Cb 0.52 -2.39 -0.02 0.00 -1.44 0.00 0.00 39.64 36.30 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.84 -1.77 0.00 0.00 176.55 171.94 2kbx s PRO 163 N 6.10 4.18 0.00 6.28 0.02 -1.26 -4.84 135.00 145.49 2kbx s PRO 163 Ca 1.01 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.48 2kbx s PRO 163 Cb -0.43 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 30.99 2kbx s PRO 163 CO 0.38 -0.60 0.50 2.48 -0.33 0.00 0.00 177.00 179.42 2kbx n TYR 164 N 3.18 0.00 -3.67 6.54 4.11 -1.26 -4.62 117.16 121.44 2kbx n TYR 164 Ca 0.11 -0.14 -0.09 0.00 -0.00 0.00 0.00 57.90 57.79 2kbx n TYR 164 Cb 0.38 -0.12 -0.09 0.00 -0.00 0.00 0.00 39.34 39.51 2kbx n TYR 164 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.86 175.27 2kbx s LYS 165 N -0.52 0.55 0.00 -3.48 0.00 -1.26 -5.03 119.74 110.00 2kbx s LYS 165 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 55.97 56.99 2kbx s LYS 165 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 37.83 37.90 2kbx s LYS 165 CO 0.00 -0.16 0.00 -0.25 0.00 0.00 0.00 175.35 174.94 2kbx n ASP 166 N 4.31 0.00 -0.19 0.03 9.92 -1.26 -4.97 116.55 124.39 2kbx n ASP 166 Ca -0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 2kbx n ASP 166 Cb 0.57 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 2kbx n ASP 166 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2kbx n THR 167 N 0.00 0.00 -3.85 -3.53 -2.24 -1.26 -5.06 114.28 98.34 2kbx n THR 167 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 2kbx n THR 167 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2kbx n THR 167 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2kbx s PHE 168 N 0.00 2.62 0.00 4.78 -0.71 -1.26 -4.75 117.98 118.67 2kbx s PHE 168 Ca 0.00 -2.50 0.00 0.00 -1.04 0.00 0.00 56.93 53.39 2kbx s PHE 168 Cb 0.00 -2.29 0.00 0.00 -1.21 0.00 0.00 43.02 39.52 2kbx s PHE 168 CO 0.00 -0.86 0.00 0.91 -1.34 0.00 0.00 175.22 173.93 2kbx n TRP 169 N 4.10 0.00 1.59 3.49 7.02 -1.26 -4.86 117.44 127.52 2kbx n TRP 169 Ca 0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.65 2kbx n TRP 169 Cb 0.39 0.00 0.77 0.00 -2.42 0.00 0.00 31.31 30.05 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 -0.41 0.74 0.00 -0.99 5.02 -1.26 -5.25 118.16 116.00 2kbx n LYS 170 Ca 0.00 0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.31 2kbx n LYS 170 Cb 0.00 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29