#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 -1.47 0.00 7.83 -0.08 -1.26 -4.95 116.55 116.62 2kbx n ASP 2 Ca 0.00 -2.15 0.00 0.00 -1.51 0.00 0.00 54.79 51.13 2kbx n ASP 2 Cb 0.00 1.20 0.00 0.00 2.34 0.00 0.00 41.12 44.66 2kbx n ASP 2 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2kbx n ASP 3 N -0.06 0.00 0.08 1.67 5.68 -1.26 -1.11 116.55 121.56 2kbx n ASP 3 Ca -0.11 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.10 2kbx n ASP 3 Cb 0.73 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.66 2kbx n ASP 3 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 2kbx h ILE 4 N 0.00 1.56 -0.80 2.12 3.07 -2.00 -2.78 117.51 118.68 2kbx h ILE 4 Ca 0.00 -2.88 0.19 0.00 1.55 0.00 0.00 64.86 63.72 2kbx h ILE 4 Cb 0.00 2.62 -0.12 0.00 -0.27 0.00 0.00 36.82 39.05 2kbx h ILE 4 CO 0.00 0.83 0.22 -0.26 -1.05 0.00 0.00 178.15 177.90 2kbx h PHE 5 N 0.06 0.35 0.19 0.16 0.04 -1.54 2.33 116.94 118.53 2kbx h PHE 5 Ca -0.04 0.04 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 2kbx h PHE 5 Cb 1.61 -0.03 0.02 0.00 2.20 0.00 0.00 35.95 39.75 2kbx h PHE 5 CO 0.02 -0.11 -1.36 0.00 -0.60 0.00 0.00 178.31 176.26 2kbx h THR 6 N 0.28 1.23 0.00 -1.55 1.03 -1.48 -3.10 112.91 109.32 2kbx h THR 6 Ca 0.47 -2.57 0.00 0.00 -0.01 0.00 0.00 66.41 64.30 2kbx h THR 6 Cb 0.86 2.98 0.00 0.00 -1.07 0.00 0.00 68.15 70.91 2kbx h THR 6 CO -0.55 0.78 0.00 1.67 -0.01 0.00 0.00 175.52 177.41 2kbx n GLN 7 N -3.83 0.50 -0.07 0.00 7.27 -0.63 -2.94 117.38 117.67 2kbx n GLN 7 Ca -0.19 0.04 -0.04 0.00 0.07 0.00 0.00 57.00 56.88 2kbx n GLN 7 Cb 0.99 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 32.13 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 -4.62 0.25 0.00 0.00 1.85 -1.18 -2.23 116.66 110.73 2kbx n ARG 9 Ca -0.06 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.89 2kbx n ARG 9 Cb 0.20 -1.46 0.54 0.00 -1.05 0.00 0.00 32.46 30.69 2kbx n ARG 9 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2kbx n GLU 10 N -0.96 0.57 -0.23 2.89 -0.58 -1.15 -4.74 120.64 116.43 2kbx n GLU 10 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2kbx n GLU 10 Cb 0.03 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2kbx n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kbx n GLY 11 N 0.14 0.80 2.22 0.62 0.00 -0.95 -4.94 105.19 103.07 2kbx n GLY 11 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 7.07 0.04 1.61 5.03 -1.17 -4.62 115.26 123.22 2kbx n ASN 12 Ca 0.00 -2.65 0.17 0.00 0.87 0.00 0.00 54.58 52.97 2kbx n ASN 12 Cb 0.00 -1.45 0.34 0.00 -1.02 0.00 0.00 39.78 37.64 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 3.97 2.46 0.07 5.41 0.00 -1.92 2.58 119.26 131.83 2kbx h ALA 13 Ca 0.54 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.18 2kbx h ALA 13 Cb 0.82 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2kbx h ALA 13 CO 1.05 -1.31 -1.10 -0.24 0.00 0.00 0.00 179.25 177.65 2kbx h VAL 14 N 0.00 1.47 -0.05 0.00 3.04 -1.95 -2.98 116.25 115.78 2kbx h VAL 14 Ca 0.26 -2.82 -0.18 0.00 -1.01 0.00 0.00 66.70 62.95 2kbx h VAL 14 Cb 2.30 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 34.29 2kbx h VAL 14 CO -0.00 0.83 -0.75 0.00 -1.01 0.00 0.00 177.57 176.63 2kbx h ALA 15 N 0.68 0.61 -0.40 3.17 0.00 0.41 -2.45 119.26 121.29 2kbx h ALA 15 Ca -0.10 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 2kbx h ALA 15 Cb 1.79 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2kbx h ALA 15 CO 0.18 0.79 -0.06 -0.39 0.00 0.00 0.00 179.25 179.77 2kbx h VAL 16 N 0.22 1.27 -0.52 0.00 -1.51 -1.46 -2.75 116.25 111.51 2kbx h VAL 16 Ca -0.03 -1.13 -0.09 0.00 -1.23 0.00 0.00 66.70 64.22 2kbx h VAL 16 Cb 1.33 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 2kbx h VAL 16 CO 0.12 0.38 -0.02 0.08 -1.23 0.00 0.00 177.57 176.90 2kbx h ARG 17 N 0.57 0.89 -0.32 5.19 0.11 -1.50 -2.41 114.38 116.91 2kbx h ARG 17 Ca 0.11 -0.27 0.04 0.00 0.10 0.00 0.00 59.98 59.96 2kbx h ARG 17 Cb 0.57 -0.09 -0.07 0.00 1.11 0.00 0.00 29.97 31.49 2kbx h ARG 17 CO 0.03 0.90 -0.54 1.25 0.10 0.00 0.00 179.97 181.71 2kbx h LEU 18 N 0.82 -1.78 -1.64 0.08 6.46 -1.14 0.93 115.31 119.04 2kbx h LEU 18 Ca 0.15 0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 58.10 2kbx h LEU 18 Cb 0.52 0.72 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 2kbx h LEU 18 CO 0.03 -0.42 -0.18 4.11 -0.62 0.00 0.00 178.44 181.36 2kbx h TRP 19 N -0.45 0.00 -0.19 1.25 5.08 -1.47 -2.64 115.95 117.54 2kbx h TRP 19 Ca 0.06 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.85 2kbx h TRP 19 Cb 0.61 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.77 2kbx h TRP 19 CO -0.68 0.18 -0.60 1.25 -1.28 0.00 0.00 178.44 177.31 2kbx h LEU 20 N 0.00 0.73 -3.94 0.11 6.46 0.17 -3.23 115.31 115.60 2kbx h LEU 20 Ca -0.00 -0.41 -0.17 0.00 -0.12 0.00 0.00 57.88 57.18 2kbx h LEU 20 Cb 0.47 -0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 2kbx h LEU 20 CO 0.02 1.16 -0.32 -0.90 -0.62 0.00 0.00 178.44 177.78 2kbx n ASP 21 N -3.95 5.06 -4.68 1.25 5.68 0.28 -4.86 116.55 115.33 2kbx n ASP 21 Ca -0.04 -2.44 -0.38 0.00 -0.50 0.00 0.00 54.79 51.43 2kbx n ASP 21 Cb 0.64 -1.34 -0.07 0.00 -1.14 0.00 0.00 41.12 39.21 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 2.03 6.46 0.00 -1.12 -0.87 -1.22 -4.93 114.94 115.29 2kbx s ASN 22 Ca 0.59 0.54 0.21 0.00 -1.57 0.00 0.00 52.86 52.63 2kbx s ASN 22 Cb 0.28 -2.24 1.03 0.00 -0.02 0.00 0.00 41.25 40.30 2kbx s ASN 22 CO 0.00 -0.07 1.67 1.07 -2.57 0.00 0.00 177.10 177.20 2kbx n THR 23 N 4.28 0.40 0.08 1.60 5.66 -1.26 -2.41 114.28 122.62 2kbx n THR 23 Ca -0.08 0.10 -0.04 0.00 -3.05 0.00 0.00 64.05 60.98 2kbx n THR 23 Cb 0.51 -0.75 -0.07 0.00 -1.55 0.00 0.00 70.33 68.47 2kbx n THR 23 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2kbx h GLU 24 N 0.00 0.00 -5.66 1.09 5.08 -1.97 -3.48 114.58 109.64 2kbx h GLU 24 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2kbx h GLU 24 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kbx h GLU 24 CO 0.00 0.77 -0.24 0.09 -1.00 0.00 0.00 179.01 178.63 2kbx n ASN 25 N -3.27 -7.18 0.00 1.42 5.03 -1.01 -4.91 115.26 105.34 2kbx n ASN 25 Ca -0.01 -0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.18 2kbx n ASN 25 Cb 0.87 -4.56 0.00 0.00 -1.02 0.00 0.00 39.78 35.07 2kbx n ASN 25 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kbx n ASP 26 N -1.97 0.00 0.00 6.41 8.00 -1.26 -4.81 116.55 122.92 2kbx n ASP 26 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2kbx n ASP 26 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 -1.39 0.00 -1.34 0.64 4.77 -1.26 -2.15 117.00 116.27 2kbx n LEU 27 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2kbx n LEU 27 Cb 0.00 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2kbx n LEU 27 CO 0.00 -0.30 0.50 -0.46 -1.33 0.00 0.00 177.39 175.80 2kbx n ASN 28 N -1.29 2.78 -4.74 -1.43 6.94 -1.26 -4.82 115.26 111.44 2kbx n ASN 28 Ca 0.00 -1.64 -0.41 0.00 -0.02 0.00 0.00 54.58 52.52 2kbx n ASN 28 Cb 0.14 -0.54 -0.05 0.00 -2.36 0.00 0.00 39.78 36.97 2kbx n ASN 28 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2kbx s GLN 29 N 0.51 4.68 0.00 -3.83 2.00 -0.91 -4.78 119.66 117.32 2kbx s GLN 29 Ca 0.00 1.66 0.00 0.00 -2.00 0.00 0.00 55.36 55.02 2kbx s GLN 29 Cb 0.00 -3.27 0.00 0.00 0.80 0.00 0.00 33.01 30.54 2kbx s GLN 29 CO 0.00 0.22 0.00 0.41 -0.50 0.00 0.00 175.29 175.42 2kbx n GLY 30 N 1.74 0.80 3.21 2.59 0.00 -1.26 -4.42 105.19 107.85 2kbx n GLY 30 Ca 0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2kbx n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kbx s ASP 31 N -1.00 1.58 0.63 1.61 1.11 0.10 -4.81 116.67 115.89 2kbx s ASP 31 Ca 0.00 -0.91 0.30 0.00 0.18 0.00 0.00 52.55 52.12 2kbx s ASP 31 Cb 0.00 0.01 1.62 0.00 1.07 0.00 0.00 42.92 45.61 2kbx s ASP 31 CO 0.00 -0.30 1.96 -2.24 1.18 0.00 0.00 175.17 175.77 2kbx h ASP 32 N 3.21 0.00 0.40 0.27 2.03 -1.99 1.45 116.42 121.79 2kbx h ASP 32 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2kbx h ASP 32 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2kbx h ASP 32 CO 0.58 0.00 -0.19 1.41 -1.03 0.00 0.00 179.24 180.01 2kbx n HIS 33 N -3.32 0.00 -0.54 4.15 8.25 -1.26 -4.91 115.22 117.59 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 0.45 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 1.34 1.20 3.73 -1.41 0.00 0.50 -4.25 105.19 106.29 2kbx n GLY 34 Ca 0.12 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 3.54 0.52 1.61 0.08 -1.23 -4.72 117.98 115.78 2kbx s PHE 35 Ca 0.00 0.99 -0.05 0.00 0.12 0.00 0.00 56.93 57.99 2kbx s PHE 35 Cb 0.00 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.82 2kbx s PHE 35 CO 0.00 0.17 0.83 -1.54 -0.10 0.00 0.00 175.22 174.58 2kbx s SER 36 N 0.58 6.03 0.22 1.36 1.04 -1.26 0.02 113.70 121.69 2kbx s SER 36 Ca 0.29 0.86 -0.08 0.00 0.48 0.00 0.00 55.95 57.49 2kbx s SER 36 Cb -0.16 -2.05 0.23 0.00 0.10 0.00 0.00 66.02 64.14 2kbx s SER 36 CO 0.12 -0.76 1.87 -0.65 0.98 0.00 0.00 173.24 174.81 2kbx h PRO 37 N 0.07 0.97 -0.95 4.02 0.10 -1.87 -0.26 132.00 134.09 2kbx h PRO 37 Ca -0.46 -0.06 0.05 0.00 0.10 0.00 0.00 66.00 65.63 2kbx h PRO 37 Cb 1.22 -0.22 -0.06 0.00 0.10 0.00 0.00 31.00 32.05 2kbx h PRO 37 CO 0.61 0.64 0.62 1.25 0.10 0.00 0.00 178.00 181.22 2kbx h LEU 38 N 0.99 1.00 -0.01 2.35 6.46 -1.97 -0.72 115.31 123.42 2kbx h LEU 38 Ca 0.32 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 58.11 2kbx h LEU 38 Cb 0.01 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 39.66 2kbx h LEU 38 CO -0.11 0.67 -0.36 0.45 -0.62 0.00 0.00 178.44 178.46 2kbx h HIS 39 N 1.15 -1.01 -0.31 1.25 3.86 -1.41 0.15 115.15 118.83 2kbx h HIS 39 Ca 0.39 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2kbx h HIS 39 Cb 0.09 0.45 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2kbx h HIS 39 CO -0.00 -0.45 0.18 -1.49 0.86 0.00 0.00 177.93 177.03 2kbx h TRP 40 N -0.51 0.41 -0.21 2.45 4.06 -1.04 -2.79 115.95 118.32 2kbx h TRP 40 Ca 0.06 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.06 2kbx h TRP 40 Cb 0.60 -0.13 -0.07 0.00 -1.00 0.00 0.00 29.16 28.56 2kbx h TRP 40 CO -0.38 0.31 -0.24 0.00 -3.56 0.00 0.00 178.44 174.57 2kbx h ALA 41 N 1.07 -0.15 -0.70 1.49 0.00 -0.47 0.68 119.26 121.18 2kbx h ALA 41 Ca 0.11 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.21 2kbx h ALA 41 Cb 0.02 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 2kbx h ALA 41 CO -0.02 -0.68 0.26 0.00 0.00 0.00 0.00 179.25 178.81 2kbx h ARG 43 N 0.42 0.86 0.54 0.00 2.43 -0.93 -3.27 114.38 114.43 2kbx h ARG 43 Ca 0.37 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2kbx h ARG 43 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2kbx h ARG 43 CO -0.37 1.08 -0.39 0.93 -1.51 0.00 0.00 179.97 179.70 2kbx h GLU 44 N 0.72 -0.86 0.00 0.20 4.39 0.20 -3.47 114.58 115.75 2kbx h GLU 44 Ca 0.07 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kbx h GLU 44 Cb 0.93 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2kbx h GLU 44 CO 0.09 -0.58 0.00 0.41 -1.16 0.00 0.00 179.01 177.77 2kbx n GLY 45 N -1.48 0.42 2.44 -3.84 0.00 -0.34 -5.02 105.19 97.38 2kbx n GLY 45 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 2.32 -0.26 1.61 5.12 -1.25 -4.69 116.66 119.51 2kbx n ARG 46 Ca 0.00 -1.47 0.18 0.00 -1.93 0.00 0.00 57.85 54.64 2kbx n ARG 46 Cb 0.00 -2.40 0.35 0.00 -1.16 0.00 0.00 32.46 29.25 2kbx n ARG 46 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2kbx n SER 47 N 3.72 0.09 0.00 0.55 7.64 -1.26 -2.34 113.62 122.02 2kbx n SER 47 Ca 0.50 1.32 0.00 0.00 1.01 0.00 0.00 58.87 61.69 2kbx n SER 47 Cb 0.26 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 -2.84 0.00 -0.31 -0.43 0.00 -1.26 -1.24 120.51 114.43 2kbx n ALA 48 Ca 0.24 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.95 2kbx n ALA 48 Cb 0.81 0.07 0.51 0.00 0.00 0.00 0.00 19.45 20.83 2kbx n ALA 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kbx n VAL 49 N -0.40 -0.40 -0.19 0.00 0.24 -0.99 0.21 118.33 116.80 2kbx n VAL 49 Ca 0.00 1.95 -0.07 0.00 -2.04 0.00 0.00 64.34 64.18 2kbx n VAL 49 Cb 0.00 -3.11 0.02 0.00 -1.47 0.00 0.00 33.84 29.29 2kbx n VAL 49 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2kbx h VAL 50 N 0.00 1.18 0.19 3.34 3.04 -1.27 -1.75 116.25 120.98 2kbx h VAL 50 Ca 0.76 -0.45 0.01 0.00 -1.01 0.00 0.00 66.70 66.01 2kbx h VAL 50 Cb 1.95 0.49 -0.03 0.00 -2.01 0.00 0.00 31.29 31.69 2kbx h VAL 50 CO -0.76 0.19 -0.30 -0.08 -1.01 0.00 0.00 177.57 175.62 2kbx h GLU 51 N 0.74 -0.54 0.00 4.17 4.81 0.12 -0.69 114.58 123.18 2kbx h GLU 51 Ca 0.19 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2kbx h GLU 51 Cb 0.04 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2kbx h GLU 51 CO -0.03 -0.36 0.00 0.52 -0.73 0.00 0.00 179.01 178.41 2kbx h MET 52 N -0.56 0.00 0.02 1.92 0.00 -1.34 -2.97 114.93 112.00 2kbx h MET 52 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 59.70 59.71 2kbx h MET 52 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.16 2kbx h MET 52 CO -0.13 0.00 -0.01 1.25 0.00 0.00 0.00 176.91 178.03 2kbx h LEU 53 N 0.00 -0.02 -1.97 1.22 7.12 -0.25 -3.19 115.31 118.22 2kbx h LEU 53 Ca 0.00 -0.47 0.44 0.00 0.13 0.00 0.00 57.88 57.98 2kbx h LEU 53 Cb 0.13 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.21 2kbx h LEU 53 CO 0.00 0.70 1.09 0.40 -0.13 0.00 0.00 178.44 180.50 2kbx h ILE 54 N -0.99 0.24 0.00 4.05 2.04 -1.09 1.54 117.51 123.30 2kbx h ILE 54 Ca -0.00 -0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 2kbx h ILE 54 Cb 0.49 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2kbx h ILE 54 CO 0.00 0.00 -0.87 0.24 0.00 0.00 0.00 178.15 177.52 2kbx h MET 55 N 0.01 0.03 -0.57 2.37 2.86 -1.61 -2.99 114.93 115.03 2kbx h MET 55 Ca 0.73 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.50 2kbx h MET 55 Cb 2.89 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 34.54 2kbx h MET 55 CO -0.02 0.88 0.55 -0.09 1.06 0.00 0.00 176.91 179.28 2kbx h ARG 56 N 0.01 0.00 0.00 1.72 9.65 0.22 -3.43 114.38 122.56 2kbx h ARG 56 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2kbx h ARG 56 Cb 1.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 2kbx h ARG 56 CO 0.12 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.30 2kbx n GLY 57 N -1.56 0.55 3.74 2.80 0.00 -1.13 -5.11 105.19 104.49 2kbx n GLY 57 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.47 3.55 -0.48 4.61 0.00 -1.24 -4.94 121.76 121.78 2kbx s ALA 58 Ca 0.00 1.15 -0.27 0.00 0.00 0.00 0.00 51.96 52.83 2kbx s ALA 58 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.65 2kbx s ALA 58 CO 0.00 -0.58 1.06 -0.98 0.00 0.00 0.00 175.76 175.26 2kbx s ARG 59 N 0.02 3.63 0.00 0.00 1.70 -1.26 -4.71 118.95 118.32 2kbx s ARG 59 Ca 0.58 0.37 0.07 0.00 -0.47 0.00 0.00 55.73 56.28 2kbx s ARG 59 Cb -0.37 -3.93 0.40 0.00 -0.57 0.00 0.00 34.95 30.48 2kbx s ARG 59 CO 0.38 -1.35 0.86 -0.89 -1.08 0.00 0.00 175.30 173.22 2kbx n ILE 60 N 6.67 0.00 1.61 4.99 -0.00 -1.26 -2.25 119.36 129.12 2kbx n ILE 60 Ca 0.09 0.00 0.14 0.00 -0.00 0.00 0.00 62.75 62.99 2kbx n ILE 60 Cb 0.49 -0.89 0.80 0.00 -0.00 0.00 0.00 39.64 40.04 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 -1.00 0.00 -4.39 4.38 3.02 -1.26 -4.52 115.26 111.49 2kbx n ASN 61 Ca 0.05 -0.53 -0.33 0.00 -0.03 0.00 0.00 54.58 53.74 2kbx n ASN 61 Cb 0.02 -0.14 0.12 0.00 -0.61 0.00 0.00 39.78 39.17 2kbx n ASN 61 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2kbx n VAL 62 N -1.14 0.03 -3.83 2.41 0.24 -0.95 -4.96 118.33 110.11 2kbx n VAL 62 Ca 0.18 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.15 2kbx n VAL 62 Cb 0.16 -0.59 -0.09 0.00 -1.47 0.00 0.00 33.84 31.85 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 -3.54 0.55 0.50 7.34 0.23 -1.26 -4.39 119.30 118.73 2kbx s MET 63 Ca 0.56 -0.34 -0.08 0.00 -1.03 0.00 0.00 55.69 54.81 2kbx s MET 63 Cb -0.21 0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 33.28 2kbx s MET 63 CO 0.68 -0.14 0.84 -0.80 -2.03 0.00 0.00 175.02 173.57 2kbx s ASN 64 N -1.39 6.32 0.56 -1.18 0.01 -1.04 -4.88 114.94 113.34 2kbx s ASN 64 Ca -0.14 1.09 0.26 0.00 -0.71 0.00 0.00 52.86 53.35 2kbx s ASN 64 Cb -0.07 -2.32 1.51 0.00 0.41 0.00 0.00 41.25 40.79 2kbx s ASN 64 CO 0.02 -0.60 2.06 0.08 -1.51 0.00 0.00 177.10 177.15 2kbx h ARG 65 N 0.33 0.00 -1.14 -0.60 0.11 -1.90 -0.06 114.38 111.12 2kbx h ARG 65 Ca -0.46 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.41 2kbx h ARG 65 Cb 1.20 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.16 2kbx h ARG 65 CO 0.62 0.00 0.27 0.41 0.10 0.00 0.00 179.97 181.37 2kbx n GLY 66 N -1.51 3.14 3.10 0.08 0.00 -1.26 -4.90 105.19 103.84 2kbx n GLY 66 Ca 0.04 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2kbx n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kbx n ASP 67 N 0.04 -6.92 -3.24 1.61 8.00 -0.03 -5.00 116.55 111.01 2kbx n ASP 67 Ca 0.23 0.51 -0.03 0.00 0.71 0.00 0.00 54.79 56.21 2kbx n ASP 67 Cb 0.86 -3.30 -0.04 0.00 -0.02 0.00 0.00 41.12 38.62 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 -1.63 -0.50 0.39 -2.24 -1.08 -1.25 -4.90 116.67 105.47 2kbx s ASP 68 Ca 0.16 -0.01 -0.02 0.00 -0.52 0.00 0.00 52.55 52.17 2kbx s ASP 68 Cb -0.03 1.53 -0.03 0.00 -1.46 0.00 0.00 42.92 42.93 2kbx s ASP 68 CO 0.59 -0.32 0.64 0.42 0.52 0.00 0.00 175.17 177.02 2kbx s THR 69 N 2.67 5.03 0.32 1.71 -4.23 -1.26 -2.51 115.64 117.37 2kbx s THR 69 Ca 0.11 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.48 2kbx s THR 69 Cb -0.12 -3.86 0.31 0.00 1.34 0.00 0.00 72.50 70.16 2kbx s THR 69 CO -0.26 -0.66 1.83 1.55 -0.54 0.00 0.00 174.62 176.53 2kbx h PRO 70 N 0.59 0.79 -0.30 3.99 0.13 -1.79 -1.68 132.00 133.71 2kbx h PRO 70 Ca -0.49 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.65 2kbx h PRO 70 Cb 1.21 -0.18 -0.08 0.00 0.13 0.00 0.00 31.00 32.09 2kbx h PRO 70 CO 0.62 0.52 -0.51 -0.07 -0.23 0.00 0.00 178.00 178.33 2kbx h LEU 71 N 0.81 -1.66 0.27 1.56 4.07 -1.93 1.96 115.31 120.38 2kbx h LEU 71 Ca 0.51 0.22 -0.01 0.00 0.08 0.00 0.00 57.88 58.68 2kbx h LEU 71 Cb 0.73 0.68 -0.01 0.00 1.08 0.00 0.00 40.66 43.13 2kbx h LEU 71 CO -0.28 -0.42 -0.28 0.45 -1.08 0.00 0.00 178.44 176.83 2kbx h HIS 72 N -0.44 -0.78 -0.60 1.13 3.86 -1.68 1.50 115.15 118.15 2kbx h HIS 72 Ca 0.08 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.39 2kbx h HIS 72 Cb 0.62 0.30 -0.11 0.00 1.06 0.00 0.00 27.41 29.28 2kbx h HIS 72 CO -0.64 -0.37 -0.39 -0.07 0.86 0.00 0.00 177.93 177.33 2kbx h LEU 73 N -0.55 -1.33 0.52 2.43 3.38 -0.86 1.91 115.31 120.81 2kbx h LEU 73 Ca -0.03 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2kbx h LEU 73 Cb 0.48 0.63 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2kbx h LEU 73 CO -0.04 -0.32 -0.32 0.00 0.09 0.00 0.00 178.44 177.85 2kbx h ALA 74 N 0.82 -0.80 -0.32 1.53 0.00 0.34 -1.10 119.26 119.73 2kbx h ALA 74 Ca 0.21 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2kbx h ALA 74 Cb 0.56 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2kbx h ALA 74 CO -0.69 -0.96 0.25 0.00 0.00 0.00 0.00 179.25 177.85 2kbx h ALA 75 N -0.37 2.20 -0.17 0.00 0.00 0.34 -1.38 119.26 119.88 2kbx h ALA 75 Ca -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kbx h ALA 75 Cb 0.64 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2kbx h ALA 75 CO 0.07 -0.42 -0.18 0.77 0.00 0.00 0.00 179.25 179.49 2kbx h SER 76 N 0.00 -0.57 0.44 0.00 0.02 0.43 -3.07 113.55 110.80 2kbx h SER 76 Ca 0.15 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 2kbx h SER 76 Cb 0.65 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2kbx h SER 76 CO -0.00 -0.22 -0.21 0.45 -1.14 0.00 0.00 176.83 175.70 2kbx h HIS 77 N -0.20 -0.55 0.00 3.45 3.86 -1.14 -3.46 115.15 117.11 2kbx h HIS 77 Ca 0.11 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2kbx h HIS 77 Cb 0.37 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2kbx h HIS 77 CO -0.31 -0.34 0.00 0.41 0.86 0.00 0.00 177.93 178.55 2kbx n GLY 78 N 0.29 1.74 3.50 2.45 0.00 -0.75 -4.98 105.19 107.44 2kbx n GLY 78 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.93 2.95 0.36 1.61 3.76 -1.25 -4.85 115.29 115.93 2kbx s HIS 79 Ca 0.00 -1.34 0.18 0.00 -0.15 0.00 0.00 55.06 53.74 2kbx s HIS 79 Cb 0.00 -4.47 1.15 0.00 1.11 0.00 0.00 32.58 30.37 2kbx s HIS 79 CO 0.00 -1.66 1.67 0.07 -0.85 0.00 0.00 174.74 173.97 2kbx h ARG 80 N 8.77 0.28 -0.05 1.40 -0.00 -1.97 -1.51 114.38 121.30 2kbx h ARG 80 Ca 0.23 -0.02 0.03 0.00 -0.00 0.00 0.00 59.98 60.22 2kbx h ARG 80 Cb 0.98 -0.06 -0.06 0.00 -0.00 0.00 0.00 29.97 30.83 2kbx h ARG 80 CO 1.27 0.18 -0.51 0.22 -0.00 0.00 0.00 179.97 181.13 2kbx h ASP 81 N 0.29 -1.58 -0.62 0.08 1.82 -2.00 -0.14 116.42 114.27 2kbx h ASP 81 Ca 0.74 0.19 0.13 0.00 -0.39 0.00 0.00 57.03 57.69 2kbx h ASP 81 Cb 1.82 0.61 -0.10 0.00 0.68 0.00 0.00 39.33 42.34 2kbx h ASP 81 CO -0.54 -0.50 0.04 0.40 -1.61 0.00 0.00 179.24 177.03 2kbx h ILE 82 N -0.62 0.53 -0.24 2.25 2.04 -1.69 -1.18 117.51 118.59 2kbx h ILE 82 Ca 0.03 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2kbx h ILE 82 Cb 0.70 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2kbx h ILE 82 CO -0.38 0.03 -0.08 0.58 0.00 0.00 0.00 178.15 178.30 2kbx h VAL 83 N 0.15 0.71 0.10 1.67 2.07 -1.19 -2.07 116.25 117.69 2kbx h VAL 83 Ca 0.32 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.87 2kbx h VAL 83 Cb 0.52 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2kbx h VAL 83 CO -0.50 0.00 -0.34 1.56 0.02 0.00 0.00 177.57 178.31 2kbx h GLN 84 N -0.03 -0.54 -0.94 1.57 4.20 0.19 1.55 115.11 121.10 2kbx h GLN 84 Ca 0.12 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2kbx h GLN 84 Cb 0.22 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 2kbx h GLN 84 CO -0.27 -0.36 0.59 1.57 -0.67 0.00 0.00 178.83 179.69 2kbx h LYS 85 N -0.56 1.26 0.05 1.46 2.10 -1.33 0.44 116.57 120.00 2kbx h LYS 85 Ca 0.03 -0.10 -0.23 0.00 -2.00 0.00 0.00 60.65 58.35 2kbx h LYS 85 Cb 0.60 -0.27 -0.01 0.00 -0.90 0.00 0.00 32.23 31.65 2kbx h LYS 85 CO -0.22 0.87 -1.04 1.25 -2.00 0.00 0.00 179.45 178.31 2kbx h LEU 86 N 1.29 0.23 -0.56 7.07 6.46 -0.96 -2.05 115.31 126.79 2kbx h LEU 86 Ca 0.34 -0.22 -0.16 0.00 -0.12 0.00 0.00 57.88 57.72 2kbx h LEU 86 Cb -0.09 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2kbx h LEU 86 CO -0.07 1.13 -0.67 0.25 -0.62 0.00 0.00 178.44 178.46 2kbx h LEU 87 N 0.06 0.26 -0.99 2.25 5.85 0.27 -2.74 115.31 120.28 2kbx h LEU 87 Ca -0.06 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2kbx h LEU 87 Cb 1.75 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.71 2kbx h LEU 87 CO 0.16 0.86 -0.05 1.67 -0.34 0.00 0.00 178.44 180.74 2kbx n GLN 88 N -3.82 1.60 -0.08 1.25 7.27 0.15 -2.96 117.38 120.79 2kbx n GLN 88 Ca -0.03 -0.99 -0.07 0.00 0.07 0.00 0.00 57.00 55.98 2kbx n GLN 88 Cb 0.66 -1.48 -0.02 0.00 2.41 0.00 0.00 30.24 31.81 2kbx n GLN 88 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2kbx n TYR 89 N 0.16 0.13 -0.07 3.69 4.02 -0.77 -4.83 117.16 119.49 2kbx n TYR 89 Ca 0.17 0.06 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 2kbx n TYR 89 Cb 0.38 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2kbx n TYR 89 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2kbx n LYS 90 N -4.25 3.39 -3.69 -0.72 5.02 -1.08 -5.03 118.16 111.80 2kbx n LYS 90 Ca -0.11 -0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 55.82 2kbx n LYS 90 Cb 0.43 -0.57 0.03 0.00 -0.02 0.00 0.00 35.03 34.90 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kbx n ALA 91 N -0.52 -2.04 0.85 7.82 0.00 -1.05 -4.78 120.51 120.78 2kbx n ALA 91 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2kbx n ALA 91 Cb 0.02 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 -3.05 2.10 0.02 0.00 2.03 -1.26 -3.55 116.55 112.85 2kbx n ASP 92 Ca -0.29 -1.70 -0.19 0.00 0.52 0.00 0.00 54.79 53.13 2kbx n ASP 92 Cb 0.68 -0.43 -0.11 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.11 1.37 0.00 5.18 2.10 -1.92 -2.99 117.51 121.36 2kbx h ILE 93 Ca 0.00 -2.16 0.00 0.00 1.08 0.00 0.00 64.86 63.78 2kbx h ILE 93 Cb 0.74 2.53 0.00 0.00 -1.09 0.00 0.00 36.82 39.00 2kbx h ILE 93 CO 0.00 0.65 0.00 -0.46 -1.08 0.00 0.00 178.15 177.26 2kbx n ASN 94 N -4.07 0.00 -4.22 2.19 0.23 -1.23 -4.30 115.26 103.86 2kbx n ASN 94 Ca -0.11 0.13 -0.42 0.00 -0.53 0.00 0.00 54.58 53.65 2kbx n ASN 94 Cb 0.77 -0.31 -0.07 0.00 -2.08 0.00 0.00 39.78 38.08 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 -2.62 3.52 1.00 -2.53 0.00 -1.13 -5.07 121.76 114.93 2kbx s ALA 95 Ca 0.13 -2.71 -0.05 0.00 0.00 0.00 0.00 51.96 49.32 2kbx s ALA 95 Cb 0.10 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.36 2kbx s ALA 95 CO 0.23 -1.98 0.41 1.33 0.00 0.00 0.00 175.76 175.75 2kbx n VAL 96 N 4.67 0.00 0.00 0.00 0.24 -1.26 -4.99 118.33 116.99 2kbx n VAL 96 Ca -0.04 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2kbx n VAL 96 Cb 0.41 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 30.97 2kbx n VAL 96 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2kbx n ASN 97 N -3.28 0.00 0.00 -1.34 2.04 -1.26 -4.94 115.26 106.48 2kbx n ASN 97 Ca 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.19 2kbx n ASN 97 Cb 0.18 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.43 2kbx n ASN 97 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 2kbx n GLU 98 N 0.00 -0.23 0.00 -3.83 0.28 -1.26 -4.59 120.64 111.01 2kbx n GLU 98 Ca 0.00 -0.58 0.06 0.00 -0.16 0.00 0.00 57.16 56.48 2kbx n GLU 98 Cb 0.00 -0.91 0.04 0.00 1.43 0.00 0.00 31.44 32.00 2kbx n GLU 98 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kbx n HIS 99 N -0.07 0.00 -1.92 -1.84 8.25 -1.26 -4.97 115.22 113.40 2kbx n HIS 99 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kbx n HIS 99 Cb 0.09 0.00 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 0.69 0.66 3.49 -1.41 0.00 -1.26 -4.53 105.19 102.84 2kbx n GLY 100 Ca 0.06 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.89 6.28 0.19 1.61 0.01 -1.26 -4.71 114.94 114.16 2kbx s ASN 101 Ca 0.00 -0.58 -0.10 0.00 -0.71 0.00 0.00 52.86 51.47 2kbx s ASN 101 Cb 0.00 -2.41 -0.07 0.00 0.41 0.00 0.00 41.25 39.18 2kbx s ASN 101 CO 0.00 -1.22 0.50 -0.69 -1.51 0.00 0.00 177.10 174.19 2kbx s VAL 102 N 3.75 4.98 0.43 1.60 1.01 -1.26 -4.11 120.40 126.80 2kbx s VAL 102 Ca 0.26 0.45 0.21 0.00 0.00 0.00 0.00 61.98 62.90 2kbx s VAL 102 Cb -0.15 -3.64 0.41 0.00 0.00 0.00 0.00 36.38 33.01 2kbx s VAL 102 CO 0.16 0.04 1.82 -0.65 0.00 0.00 0.00 175.10 176.47 2kbx h PRO 103 N 2.88 0.31 0.09 2.72 0.11 -1.90 -0.64 132.00 135.58 2kbx h PRO 103 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kbx h PRO 103 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kbx h PRO 103 CO 0.69 0.21 -0.05 1.25 -0.21 0.00 0.00 178.00 179.89 2kbx h LEU 104 N 0.32 -0.11 -0.51 2.35 5.85 -1.96 0.30 115.31 121.55 2kbx h LEU 104 Ca 0.52 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.32 2kbx h LEU 104 Cb 1.45 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.40 2kbx h LEU 104 CO -0.19 -0.05 -0.21 0.45 -0.34 0.00 0.00 178.44 178.10 2kbx h HIS 105 N -0.16 -0.53 0.10 1.25 3.86 -1.49 0.28 115.15 118.46 2kbx h HIS 105 Ca -0.01 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2kbx h HIS 105 Cb 0.12 0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.91 2kbx h HIS 105 CO -0.06 -0.30 -0.05 -0.92 0.86 0.00 0.00 177.93 177.46 2kbx h TYR 106 N -0.10 -0.12 -0.29 2.45 5.03 -1.32 0.27 116.97 122.89 2kbx h TYR 106 Ca 0.24 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.61 2kbx h TYR 106 Cb 0.47 0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.71 2kbx h TYR 106 CO -0.50 0.21 -0.23 0.00 -1.32 0.00 0.00 178.16 176.32 2kbx h ALA 107 N 0.39 -0.06 -0.13 1.82 0.00 0.29 -0.65 119.26 120.92 2kbx h ALA 107 Ca -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2kbx h ALA 107 Cb 0.39 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2kbx h ALA 107 CO 0.02 -0.63 -0.38 0.00 0.00 0.00 0.00 179.25 178.26 2kbx h PHE 109 N 0.23 0.00 0.00 0.00 3.57 0.11 -2.67 116.94 118.19 2kbx h PHE 109 Ca 0.02 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 2kbx h PHE 109 Cb 0.78 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 2kbx h PHE 109 CO 0.02 0.00 -1.49 0.91 -2.23 0.00 0.00 178.31 175.52 2kbx n TRP 110 N -4.09 0.57 0.00 0.41 7.02 -0.94 -5.03 117.44 115.38 2kbx n TRP 110 Ca 0.10 0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.82 2kbx n TRP 110 Cb 0.66 -0.94 0.00 0.00 -2.42 0.00 0.00 31.31 28.61 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 1.41 -0.41 3.29 6.99 0.00 -0.65 -5.14 105.19 110.69 2kbx n GLY 111 Ca -0.32 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 3.30 -0.06 1.61 1.11 -0.98 -4.98 119.66 119.67 2kbx s GLN 112 Ca 0.00 -0.69 -0.06 0.00 0.01 0.00 0.00 55.36 54.62 2kbx s GLN 112 Cb 0.00 -2.78 -0.02 0.00 -1.01 0.00 0.00 33.01 29.20 2kbx s GLN 112 CO 0.00 -0.04 -0.12 -3.47 0.01 0.00 0.00 175.29 171.67 2kbx n ASP 113 N 4.28 0.69 -0.11 5.90 -0.08 -1.26 -4.07 116.55 121.91 2kbx n ASP 113 Ca -0.19 0.12 -0.05 0.00 -1.51 0.00 0.00 54.79 53.16 2kbx n ASP 113 Cb 0.51 -0.54 0.01 0.00 2.34 0.00 0.00 41.12 43.45 2kbx n ASP 113 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 2kbx h GLN 114 N -0.33 0.03 -0.71 -0.67 -0.00 -2.00 -0.70 115.11 110.72 2kbx h GLN 114 Ca 0.00 -0.00 0.11 0.00 -0.00 0.00 0.00 58.65 58.76 2kbx h GLN 114 Cb 0.33 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.48 27.73 2kbx h GLN 114 CO 0.00 0.02 0.31 0.28 -0.00 0.00 0.00 178.83 179.44 2kbx h VAL 115 N 0.03 0.76 -0.85 1.86 2.07 -1.94 -0.79 116.25 117.40 2kbx h VAL 115 Ca 0.18 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2kbx h VAL 115 Cb 0.27 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2kbx h VAL 115 CO -0.36 0.09 0.51 0.00 0.02 0.00 0.00 177.57 177.83 2kbx h ALA 116 N 1.47 1.31 0.77 1.67 0.00 -1.31 -2.39 119.26 120.79 2kbx h ALA 116 Ca 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2kbx h ALA 116 Cb 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kbx h ALA 116 CO -0.33 0.60 -0.43 1.49 0.00 0.00 0.00 179.25 180.58 2kbx h GLU 117 N 1.17 -1.07 -0.96 0.00 4.81 -0.18 -1.16 114.58 117.19 2kbx h GLU 117 Ca 0.30 0.07 0.18 0.00 -0.13 0.00 0.00 59.36 59.79 2kbx h GLU 117 Cb -0.05 0.24 -0.10 0.00 0.63 0.00 0.00 28.75 29.47 2kbx h GLU 117 CO -0.06 -0.72 0.56 0.38 -0.73 0.00 0.00 179.01 178.45 2kbx h ASP 118 N -1.11 0.71 0.64 1.04 3.04 -1.26 1.13 116.42 120.61 2kbx h ASP 118 Ca -0.10 0.10 -0.03 0.00 -3.24 0.00 0.00 57.03 53.75 2kbx h ASP 118 Cb 0.88 -0.03 0.01 0.00 -1.04 0.00 0.00 39.33 39.15 2kbx h ASP 118 CO 0.14 0.26 -0.31 -0.07 -2.04 0.00 0.00 179.24 177.22 2kbx h LEU 119 N 0.73 -0.73 -1.46 0.15 3.38 -1.08 -0.83 115.31 115.48 2kbx h LEU 119 Ca 0.55 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.45 2kbx h LEU 119 Cb 0.82 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2kbx h LEU 119 CO -0.38 -0.36 -0.27 1.62 0.09 0.00 0.00 178.44 179.14 2kbx h VAL 120 N -1.15 1.13 0.00 1.22 3.04 -0.86 0.18 116.25 119.80 2kbx h VAL 120 Ca -0.09 -0.96 0.00 0.00 -1.01 0.00 0.00 66.70 64.64 2kbx h VAL 120 Cb 0.69 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 2kbx h VAL 120 CO 0.14 0.27 0.00 0.00 -1.01 0.00 0.00 177.57 176.97 2kbx n ALA 121 N -2.46 2.28 -0.08 3.17 0.00 0.39 -2.91 120.51 120.91 2kbx n ALA 121 Ca -0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 2kbx n ALA 121 Cb 0.33 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.24 1.09 0.00 0.00 5.15 0.02 -4.97 115.26 115.32 2kbx n ASN 122 Ca 0.13 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 2kbx n ASN 122 Cb 0.18 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 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 1.90 -0.46 0.37 8.20 0.00 -1.05 -5.02 105.19 109.13 2kbx n GLY 123 Ca -0.33 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 1.40 -0.61 4.61 0.00 -1.65 -3.49 119.26 119.52 2kbx h ALA 124 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kbx h ALA 124 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2kbx h ALA 124 CO 0.00 0.49 -0.15 -0.11 0.00 0.00 0.00 179.25 179.48 2kbx n LEU 125 N -4.46 -1.28 0.18 0.00 7.94 -1.26 -4.62 117.00 113.51 2kbx n LEU 125 Ca 0.13 0.50 0.11 0.00 -1.11 0.00 0.00 56.01 55.64 2kbx n LEU 125 Cb 0.13 0.35 0.11 0.00 0.53 0.00 0.00 43.42 44.54 2kbx n LEU 125 CO 0.34 0.06 0.57 0.58 -1.11 0.00 0.00 177.39 177.84 2kbx h VAL 126 N 0.28 0.09 -0.77 1.96 2.07 -1.94 -3.30 116.25 114.64 2kbx h VAL 126 Ca 0.00 -1.13 -0.50 0.00 0.82 0.00 0.00 66.70 65.88 2kbx h VAL 126 Cb 0.00 1.92 -0.23 0.00 -1.52 0.00 0.00 31.29 31.47 2kbx h VAL 126 CO 0.00 0.05 0.65 -1.54 0.02 0.00 0.00 177.57 176.75 2kbx n SER 127 N -3.01 6.59 0.25 0.57 3.41 -1.26 -4.59 113.62 115.58 2kbx n SER 127 Ca 0.03 -3.44 -0.16 0.00 -0.26 0.00 0.00 58.87 55.04 2kbx n SER 127 Cb 0.56 -0.97 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 2kbx n SER 127 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2kbx h ILE 128 N 0.96 0.56 -1.49 -1.33 2.04 -1.82 -3.49 117.51 112.95 2kbx h ILE 128 Ca 0.47 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.19 2kbx h ILE 128 Cb 1.12 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2kbx h ILE 128 CO 1.17 0.03 0.00 0.00 0.00 0.00 0.00 178.15 179.35 2kbx n ASN 130 N 0.00 0.00 0.06 0.00 2.85 -1.26 -4.68 115.26 112.23 2kbx n ASN 130 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 2kbx n ASN 130 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 2kbx n ASN 130 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2kbx h LYS 131 N 0.00 0.00 0.00 1.20 1.57 -1.84 -3.36 116.57 114.14 2kbx h LYS 131 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2kbx h LYS 131 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.10 2kbx h LYS 131 CO 0.00 0.46 -0.76 0.98 -0.57 0.00 0.00 179.45 179.56 2kbx n TYR 132 N -3.06 0.00 -1.00 -1.35 9.36 -1.26 -4.92 117.16 114.93 2kbx n TYR 132 Ca -0.06 -0.77 -0.00 0.00 3.32 0.00 0.00 57.90 60.39 2kbx n TYR 132 Cb 0.85 -0.17 -0.00 0.00 -0.63 0.00 0.00 39.34 39.39 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 -0.14 0.45 3.52 2.98 0.00 -1.26 -4.89 105.19 105.85 2kbx n GLY 133 Ca 0.10 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2kbx n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kbx n GLU 134 N -2.61 0.32 -4.11 1.61 1.02 -1.26 -4.50 120.64 111.10 2kbx n GLU 134 Ca -0.00 -0.84 -0.26 0.00 -0.02 0.00 0.00 57.16 56.04 2kbx n GLU 134 Cb 0.05 -3.11 -0.06 0.00 -0.02 0.00 0.00 31.44 28.30 2kbx n GLU 134 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kbx s MET 135 N 8.26 2.80 0.46 3.49 0.23 -1.26 -4.13 119.30 129.15 2kbx s MET 135 Ca 0.91 -0.95 0.21 0.00 -1.03 0.00 0.00 55.69 54.83 2kbx s MET 135 Cb -0.23 -2.57 1.21 0.00 -1.53 0.00 0.00 34.83 31.71 2kbx s MET 135 CO 0.18 0.47 1.91 -1.35 -2.03 0.00 0.00 175.02 174.20 2kbx h PRO 136 N 2.35 0.25 -0.96 3.16 0.11 -1.90 -0.23 132.00 134.77 2kbx h PRO 136 Ca -0.48 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 65.85 2kbx h PRO 136 Cb 1.21 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 2kbx h PRO 136 CO 0.62 0.16 0.64 0.28 -0.21 0.00 0.00 178.00 179.49 2kbx h VAL 137 N 0.26 0.61 0.08 3.15 2.07 -1.94 1.73 116.25 122.20 2kbx h VAL 137 Ca 0.39 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.62 2kbx h VAL 137 Cb 1.16 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2kbx h VAL 137 CO -0.10 0.06 -0.85 0.44 0.02 0.00 0.00 177.57 177.15 2kbx h ASP 138 N 0.36 0.27 0.32 0.57 3.32 -1.40 -1.26 116.42 118.59 2kbx h ASP 138 Ca 0.51 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2kbx h ASP 138 Cb 1.37 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2kbx h ASP 138 CO -0.19 1.38 0.00 0.11 -1.72 0.00 0.00 179.24 178.81 2kbx h LYS 139 N -0.58 0.00 0.00 3.56 1.57 -0.96 0.32 116.57 120.48 2kbx h LYS 139 Ca -0.18 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.37 2kbx h LYS 139 Cb 1.48 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.75 2kbx h LYS 139 CO 0.04 0.00 -1.78 0.00 -0.57 0.00 0.00 179.45 177.14 2kbx n ALA 140 N -1.80 1.82 1.26 3.86 0.00 0.58 -3.86 120.51 122.36 2kbx n ALA 140 Ca -0.00 -0.79 0.13 0.00 0.00 0.00 0.00 53.44 52.79 2kbx n ALA 140 Cb 0.12 -0.72 0.48 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.82 0.56 -0.06 0.00 4.81 -0.07 -2.74 118.16 117.83 2kbx n LYS 141 Ca -0.17 -0.25 -0.08 0.00 -0.87 0.00 0.00 58.31 56.95 2kbx n LYS 141 Cb 0.94 -1.49 -0.06 0.00 0.02 0.00 0.00 35.03 34.43 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 3.48 0.02 -0.86 3.14 0.00 -1.18 -3.30 119.26 120.57 2kbx h ALA 142 Ca 0.00 -0.33 0.16 0.00 0.00 0.00 0.00 54.91 54.75 2kbx h ALA 142 Cb 0.44 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2kbx h ALA 142 CO 0.00 0.08 0.56 -1.35 0.00 0.00 0.00 179.25 178.55 2kbx h PRO 143 N -1.00 0.51 0.00 0.00 0.11 -1.72 -3.45 132.00 126.45 2kbx h PRO 143 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2kbx h PRO 143 Cb 0.54 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2kbx h PRO 143 CO -0.01 0.34 0.00 -0.11 -0.21 0.00 0.00 178.00 178.01 2kbx n LEU 144 N -4.53 0.00 0.22 2.35 7.94 -1.24 -5.05 117.00 116.69 2kbx n LEU 144 Ca 0.17 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.98 2kbx n LEU 144 Cb 0.56 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.46 2kbx n LEU 144 CO 0.30 0.00 0.36 0.03 -1.11 0.00 0.00 177.39 176.98 2kbx h ARG 145 N 0.00 -0.57 0.00 1.96 3.08 -1.80 -3.45 114.38 113.60 2kbx h ARG 145 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2kbx h ARG 145 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2kbx h ARG 145 CO 0.00 -0.38 0.00 0.39 -1.07 0.00 0.00 179.97 178.91 2kbx n GLU 146 N -4.13 0.00 0.18 0.04 -0.58 -1.25 -4.73 120.64 110.17 2kbx n GLU 146 Ca -0.07 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.54 2kbx n GLU 146 Cb 0.23 -2.73 -0.08 0.00 -0.57 0.00 0.00 31.44 28.30 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 -0.40 -0.49 -4.62 3.38 -1.91 -2.16 115.31 109.10 2kbx h LEU 147 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kbx h LEU 147 Cb 0.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kbx h LEU 147 CO 0.00 -0.02 0.00 0.17 0.09 0.00 0.00 178.44 178.68 2kbx h LEU 148 N -0.85 0.00 0.15 1.67 8.10 -1.95 -2.91 115.31 119.51 2kbx h LEU 148 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.93 2kbx h LEU 148 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 2kbx h LEU 148 CO 0.08 0.00 -0.07 -0.09 -4.11 0.00 0.00 178.44 174.25 2kbx h ARG 149 N 0.00 -0.19 -0.42 0.17 2.43 -1.86 -1.10 114.38 113.42 2kbx h ARG 149 Ca 0.00 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 2kbx h ARG 149 Cb 0.59 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2kbx h ARG 149 CO 0.00 0.15 -0.11 1.05 -1.51 0.00 0.00 179.97 179.55 2kbx h GLU 150 N -0.55 0.74 -0.09 0.20 -0.00 -1.36 0.77 114.58 114.28 2kbx h GLU 150 Ca -0.02 -0.24 -0.02 0.00 -0.00 0.00 0.00 59.36 59.08 2kbx h GLU 150 Cb 0.42 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.10 2kbx h GLU 150 CO 0.03 0.82 -0.04 0.00 -0.00 0.00 0.00 179.01 179.83 2kbx h ARG 151 N 0.67 0.13 0.03 1.06 2.47 -1.43 -1.26 114.38 116.05 2kbx h ARG 151 Ca 0.12 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.67 2kbx h ARG 151 Cb 0.57 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 2kbx h ARG 151 CO 0.04 0.18 -0.78 0.00 0.56 0.00 0.00 179.97 179.97 2kbx h ALA 152 N 1.84 0.12 0.00 0.04 0.00 -0.29 -3.09 119.26 117.88 2kbx h ALA 152 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2kbx h ALA 152 Cb 0.16 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kbx h ALA 152 CO 0.01 0.44 0.29 1.49 0.00 0.00 0.00 179.25 181.47 2kbx h GLU 153 N -0.82 0.00 -0.01 0.00 4.81 0.80 0.40 114.58 119.76 2kbx h GLU 153 Ca -0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2kbx h GLU 153 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2kbx h GLU 153 CO -0.05 0.00 -0.37 1.17 -0.73 0.00 0.00 179.01 179.03 2kbx n LYS 154 N -2.83 1.51 0.14 1.92 3.00 -0.50 -4.02 118.16 117.38 2kbx n LYS 154 Ca -0.02 -0.93 0.10 0.00 -0.00 0.00 0.00 58.31 57.46 2kbx n LYS 154 Cb 0.33 -1.36 0.52 0.00 0.00 0.00 0.00 35.03 34.53 2kbx n LYS 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx n MET 155 N -0.02 0.13 -0.13 1.64 0.00 0.14 -4.78 117.12 114.10 2kbx n MET 155 Ca 0.08 0.60 0.00 0.00 0.00 0.00 0.00 57.70 58.38 2kbx n MET 155 Cb 0.40 -1.90 0.00 0.00 0.00 0.00 0.00 33.22 31.71 2kbx n MET 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kbx n GLY 156 N -1.20 0.58 0.00 3.17 0.00 -1.26 -5.02 105.19 101.46 2kbx n GLY 156 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.06 0.00 -0.03 1.61 6.02 -1.26 -4.86 117.38 118.80 2kbx n GLN 157 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2kbx n GLN 157 Cb 0.03 -0.46 -0.08 0.00 1.02 0.00 0.00 30.24 30.75 2kbx n GLN 157 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2kbx h ASN 158 N 0.00 -0.04 -2.71 1.08 4.21 -1.83 -3.37 115.58 112.92 2kbx h ASN 158 Ca 0.00 -0.57 -0.79 0.00 1.21 0.00 0.00 56.30 56.15 2kbx h ASN 158 Cb 0.00 0.01 -0.24 0.00 -1.12 0.00 0.00 38.32 36.97 2kbx h ASN 158 CO 0.00 0.71 1.00 0.00 -1.29 0.00 0.00 177.43 177.85 2kbx n LEU 159 N -4.73 6.00 -4.58 1.61 -0.00 -1.26 -4.99 117.00 109.06 2kbx n LEU 159 Ca -0.07 -4.94 -0.37 0.00 -0.00 0.00 0.00 56.01 50.63 2kbx n LEU 159 Cb 0.30 -1.43 -0.11 0.00 -0.00 0.00 0.00 43.42 42.18 2kbx n LEU 159 CO 0.23 1.38 -0.19 0.54 -0.00 0.00 0.00 177.39 179.35 2kbx s ASN 160 N 0.38 5.87 0.90 1.45 2.20 -1.26 -4.91 114.94 119.57 2kbx s ASN 160 Ca 0.34 -0.02 -0.14 0.00 -0.94 0.00 0.00 52.86 52.10 2kbx s ASN 160 Cb -0.00 -2.08 -0.01 0.00 -2.00 0.00 0.00 41.25 37.16 2kbx s ASN 160 CO 0.01 -0.03 0.26 0.54 -2.94 0.00 0.00 177.10 174.95 2kbx n ARG 161 N 4.89 -0.11 -1.57 3.55 3.00 -1.26 -4.67 116.66 120.49 2kbx n ARG 161 Ca -0.15 0.01 -0.46 0.00 -0.01 0.00 0.00 57.85 57.24 2kbx n ARG 161 Cb 0.52 -1.72 -0.04 0.00 0.00 0.00 0.00 32.46 31.22 2kbx n ARG 161 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2kbx n ILE 162 N -3.14 0.35 -1.85 0.55 -6.64 -1.26 -4.84 119.36 102.53 2kbx n ILE 162 Ca 0.06 -0.35 -0.41 0.00 -1.77 0.00 0.00 62.75 60.29 2kbx n ILE 162 Cb 0.53 -2.22 -0.03 0.00 -1.44 0.00 0.00 39.64 36.48 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 5.98 2.91 0.00 6.28 0.02 -1.26 -4.96 135.00 143.98 2kbx s PRO 163 Ca 1.02 1.36 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2kbx s PRO 163 Cb -0.53 -4.34 0.00 0.00 0.02 0.00 0.00 34.50 29.65 2kbx s PRO 163 CO 0.41 -2.36 0.00 2.48 -0.33 0.00 0.00 177.00 177.20 2kbx n TYR 164 N 12.14 0.00 -1.00 6.54 4.11 -1.26 -4.16 117.16 133.52 2kbx n TYR 164 Ca 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 58.15 2kbx n TYR 164 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.82 2kbx n TYR 164 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2kbx n LYS 165 N 0.00 -1.07 0.00 -3.48 0.00 -1.26 -4.67 118.16 107.68 2kbx n LYS 165 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2kbx n LYS 165 Cb 0.00 -4.05 0.00 0.00 -0.00 0.00 0.00 35.03 30.98 2kbx n LYS 165 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kbx n ASP 166 N 0.91 0.00 0.00 -5.58 8.00 -1.26 -5.01 116.55 113.62 2kbx n ASP 166 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2kbx n ASP 166 Cb 0.05 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.85 0.00 0.00 -3.53 5.66 -1.26 -5.01 114.28 108.29 2kbx n THR 167 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kbx n THR 167 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2kbx n THR 167 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2kbx n PHE 168 N 0.00 0.00 0.00 1.09 3.72 -1.26 -4.70 117.46 116.31 2kbx n PHE 168 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kbx n PHE 168 Cb 0.38 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.02 0.00 0.02 1.38 7.02 -1.26 -1.07 117.44 122.51 2kbx n TRP 169 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2kbx n TRP 169 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2kbx n TRP 169 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2kbx n LYS 170 N 0.00 0.79 -0.48 -0.99 4.81 -1.26 -5.18 118.16 115.84 2kbx n LYS 170 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kbx n LYS 170 Cb 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 33.94 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98