#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 5.27 0.00 6.12 9.92 -1.26 -4.91 116.55 131.69 2kbx n ASP 2 Ca 0.00 -2.52 0.00 0.00 -0.53 0.00 0.00 54.79 51.74 2kbx n ASP 2 Cb 0.00 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 2kbx n ASP 2 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kbx n ASP 3 N 1.07 0.00 -0.21 -2.24 9.92 -1.26 -1.69 116.55 122.14 2kbx n ASP 3 Ca 0.08 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.27 2kbx n ASP 3 Cb 0.54 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.05 2kbx n ASP 3 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2kbx h ILE 4 N 0.00 1.21 -0.39 0.53 2.04 -1.96 0.28 117.51 119.22 2kbx h ILE 4 Ca 0.00 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.30 2kbx h ILE 4 Cb 0.00 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2kbx h ILE 4 CO 0.00 0.24 0.15 -0.26 0.00 0.00 0.00 178.15 178.28 2kbx h PHE 5 N 0.80 0.27 -0.08 1.37 0.04 -1.74 1.56 116.94 119.16 2kbx h PHE 5 Ca 0.20 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 2kbx h PHE 5 Cb 0.12 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 2kbx h PHE 5 CO -0.00 0.12 -0.12 1.15 -0.60 0.00 0.00 178.31 178.85 2kbx h THR 6 N 0.32 1.40 -0.45 -1.55 2.02 -1.23 -2.97 112.91 110.45 2kbx h THR 6 Ca 0.17 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 2kbx h THR 6 Cb 0.14 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2kbx h THR 6 CO -0.16 0.39 0.20 1.56 0.37 0.00 0.00 175.52 177.87 2kbx h GLN 7 N -0.25 0.64 0.21 6.66 1.08 -0.13 -2.83 115.11 120.49 2kbx h GLN 7 Ca 0.01 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2kbx h GLN 7 Cb 0.69 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2kbx h GLN 7 CO 0.03 0.51 -0.23 0.00 -0.95 0.00 0.00 178.83 178.19 2kbx n ARG 9 N -5.36 0.53 0.00 0.00 1.85 -1.08 -2.87 116.66 109.73 2kbx n ARG 9 Ca -0.08 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.81 2kbx n ARG 9 Cb 0.27 -1.48 0.19 0.00 -1.05 0.00 0.00 32.46 30.39 2kbx n ARG 9 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kbx n GLU 10 N -0.98 0.17 -0.26 2.89 2.13 -0.18 -4.70 120.64 119.71 2kbx n GLU 10 Ca 0.12 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2kbx n GLU 10 Cb 0.06 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.27 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 -0.63 0.82 2.51 8.31 0.00 -1.14 -4.92 105.19 110.15 2kbx n GLY 11 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2kbx n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kbx n ASN 12 N 0.00 6.58 0.24 1.61 2.04 -1.24 -4.63 115.26 119.86 2kbx n ASN 12 Ca 0.00 -2.56 0.02 0.00 -0.44 0.00 0.00 54.58 51.60 2kbx n ASN 12 Cb 0.00 -1.43 0.08 0.00 -2.53 0.00 0.00 39.78 35.91 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2kbx h ALA 13 N 5.70 1.67 0.04 -2.53 0.00 -1.91 2.91 119.26 125.13 2kbx h ALA 13 Ca 0.70 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.37 2kbx h ALA 13 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kbx h ALA 13 CO 1.73 -0.67 -1.17 -0.39 0.00 0.00 0.00 179.25 178.75 2kbx h VAL 14 N 0.00 1.53 -0.05 0.00 -1.51 -1.94 -2.96 116.25 111.32 2kbx h VAL 14 Ca 0.00 -3.22 -0.17 0.00 -1.23 0.00 0.00 66.70 62.08 2kbx h VAL 14 Cb 1.57 2.82 -0.01 0.00 -2.13 0.00 0.00 31.29 33.55 2kbx h VAL 14 CO 0.00 0.90 -0.72 0.00 -1.23 0.00 0.00 177.57 176.51 2kbx h ALA 15 N 0.85 0.67 -0.09 5.19 0.00 0.49 -0.94 119.26 125.44 2kbx h ALA 15 Ca -0.09 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 2kbx h ALA 15 Cb 1.86 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.59 2kbx h ALA 15 CO 0.15 0.79 -0.87 -0.24 0.00 0.00 0.00 179.25 179.08 2kbx h VAL 16 N 0.19 1.30 -0.35 0.00 3.04 -1.59 -2.96 116.25 115.87 2kbx h VAL 16 Ca -0.03 -2.11 -0.09 0.00 -1.01 0.00 0.00 66.70 63.46 2kbx h VAL 16 Cb 1.29 2.15 -0.02 0.00 -2.01 0.00 0.00 31.29 32.70 2kbx h VAL 16 CO 0.12 0.66 -0.17 -0.09 -1.01 0.00 0.00 177.57 177.07 2kbx h ARG 17 N 0.44 0.65 0.16 4.17 1.12 -1.48 -2.15 114.38 117.29 2kbx h ARG 17 Ca -0.08 -0.23 0.02 0.00 -1.11 0.00 0.00 59.98 58.58 2kbx h ARG 17 Cb 1.50 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 31.37 2kbx h ARG 17 CO 0.17 0.79 -0.35 1.25 -3.11 0.00 0.00 179.97 178.72 2kbx h LEU 18 N 0.59 -1.00 -0.34 3.80 6.46 -1.01 -2.43 115.31 121.38 2kbx h LEU 18 Ca 0.09 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2kbx h LEU 18 Cb 0.62 0.37 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 2kbx h LEU 18 CO 0.04 -0.44 -0.16 4.11 -0.62 0.00 0.00 178.44 181.37 2kbx h TRP 19 N -0.60 0.00 0.00 1.25 5.08 -1.52 -3.03 115.95 117.13 2kbx h TRP 19 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.99 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 -0.29 0.16 0.00 1.25 -1.28 0.00 0.00 178.44 178.28 2kbx h LEU 20 N 0.00 0.00 -3.99 0.11 6.46 -0.92 -3.05 115.31 113.92 2kbx h LEU 20 Ca -0.00 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.48 2kbx h LEU 20 Cb 1.00 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.83 2kbx h LEU 20 CO 0.02 0.00 -0.03 -0.90 -0.62 0.00 0.00 178.44 176.92 2kbx n ASP 21 N -3.06 5.75 -4.58 1.25 5.68 -0.98 -4.91 116.55 115.71 2kbx n ASP 21 Ca -0.01 -2.75 -0.41 0.00 -0.50 0.00 0.00 54.79 51.12 2kbx n ASP 21 Cb 0.19 -1.29 -0.03 0.00 -1.14 0.00 0.00 41.12 38.85 2kbx n ASP 21 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2kbx s ASN 22 N 1.32 5.25 0.00 -1.12 2.47 -1.15 -4.77 114.94 116.94 2kbx s ASN 22 Ca 0.53 1.33 0.11 0.00 0.42 0.00 0.00 52.86 55.25 2kbx s ASN 22 Cb 0.29 -2.51 0.61 0.00 -1.45 0.00 0.00 41.25 38.19 2kbx s ASN 22 CO -0.07 -2.21 1.20 0.35 -3.72 0.00 0.00 177.10 172.65 2kbx n THR 23 N 7.68 0.43 0.39 -5.21 -2.24 -1.26 -1.16 114.28 112.91 2kbx n THR 23 Ca 0.29 0.11 0.05 0.00 -2.27 0.00 0.00 64.05 62.22 2kbx n THR 23 Cb 0.49 -0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 2kbx n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kbx n GLU 24 N -1.17 3.11 -3.12 -0.78 -0.58 -1.26 -5.05 120.64 111.79 2kbx n GLU 24 Ca 0.07 -0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.65 2kbx n GLU 24 Cb 0.07 -1.02 0.01 0.00 -0.57 0.00 0.00 31.44 29.93 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2kbx n ASN 25 N -1.34 -7.12 0.00 1.62 5.03 -0.31 -4.92 115.26 108.21 2kbx n ASN 25 Ca 0.01 0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.58 2kbx n ASN 25 Cb 0.18 -4.26 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 2kbx n ASN 25 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kbx n ASP 26 N -0.83 0.00 0.00 6.41 8.00 -1.26 -4.83 116.55 124.04 2kbx n ASP 26 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2kbx n ASP 26 Cb 0.54 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 2kbx n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kbx n LEU 27 N -2.27 0.00 -1.19 0.64 7.99 -1.26 -1.77 117.00 119.13 2kbx n LEU 27 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 2kbx n LEU 27 Cb 0.00 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.09 2kbx n LEU 27 CO 0.00 -0.22 0.51 0.59 -1.51 0.00 0.00 177.39 176.76 2kbx n ASN 28 N -1.18 2.88 -4.77 -1.43 4.13 -1.26 -4.83 115.26 108.79 2kbx n ASN 28 Ca 0.00 -1.71 -0.39 0.00 1.68 0.00 0.00 54.58 54.16 2kbx n ASN 28 Cb 0.20 -0.54 -0.06 0.00 -1.54 0.00 0.00 39.78 37.84 2kbx n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kbx s GLN 29 N 0.30 4.61 0.00 3.52 -2.07 -0.73 -4.89 119.66 120.40 2kbx s GLN 29 Ca 0.00 1.24 0.00 0.00 -1.82 0.00 0.00 55.36 54.78 2kbx s GLN 29 Cb 0.00 -3.15 0.00 0.00 -1.09 0.00 0.00 33.01 28.77 2kbx s GLN 29 CO 0.00 0.49 0.00 0.41 -1.32 0.00 0.00 175.29 174.87 2kbx n GLY 30 N 1.30 0.74 3.38 2.60 0.00 -1.26 -4.67 105.19 107.28 2kbx n GLY 30 Ca -0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.04 1.78 0.41 1.61 2.15 0.20 -4.84 116.67 116.94 2kbx s ASP 31 Ca 0.00 -1.37 0.15 0.00 0.43 0.00 0.00 52.55 51.76 2kbx s ASP 31 Cb 0.00 0.04 1.01 0.00 -0.30 0.00 0.00 42.92 43.67 2kbx s ASP 31 CO 0.00 -0.66 1.87 -2.24 -0.17 0.00 0.00 175.17 173.97 2kbx h ASP 32 N 2.26 0.46 -0.00 -0.34 2.03 -1.99 1.45 116.42 120.29 2kbx h ASP 32 Ca -0.39 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2kbx h ASP 32 Cb 1.24 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2kbx h ASP 32 CO 0.65 0.21 0.00 1.41 -1.03 0.00 0.00 179.24 180.48 2kbx n HIS 33 N -4.52 0.00 -0.69 4.15 8.25 -1.26 -4.85 115.22 116.30 2kbx n HIS 33 Ca 0.18 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2kbx n HIS 33 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 0.99 0.66 3.72 -1.41 0.00 0.50 -4.26 105.19 105.39 2kbx n GLY 34 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.06 2.94 0.35 1.61 0.08 -1.25 -4.48 117.98 115.17 2kbx s PHE 35 Ca 0.00 0.43 -0.03 0.00 0.12 0.00 0.00 56.93 57.45 2kbx s PHE 35 Cb 0.00 -4.08 -0.04 0.00 -0.57 0.00 0.00 43.02 38.32 2kbx s PHE 35 CO 0.00 -4.06 0.61 -1.54 -0.10 0.00 0.00 175.22 170.12 2kbx s SER 36 N 1.14 6.36 0.23 1.36 1.04 -1.26 -0.63 113.70 121.94 2kbx s SER 36 Ca 0.73 0.68 -0.07 0.00 0.48 0.00 0.00 55.95 57.77 2kbx s SER 36 Cb -0.48 -2.13 0.29 0.00 0.10 0.00 0.00 66.02 63.79 2kbx s SER 36 CO 0.32 -0.31 1.86 -0.65 0.98 0.00 0.00 173.24 175.44 2kbx h PRO 37 N 1.06 0.94 -0.83 4.02 0.10 -1.90 -1.06 132.00 134.33 2kbx h PRO 37 Ca -0.48 -0.06 0.09 0.00 0.10 0.00 0.00 66.00 65.65 2kbx h PRO 37 Cb 1.20 -0.21 -0.07 0.00 0.10 0.00 0.00 31.00 32.02 2kbx h PRO 37 CO 0.63 0.62 0.48 1.25 0.10 0.00 0.00 178.00 181.09 2kbx h LEU 38 N 0.97 0.71 0.34 2.35 7.12 -1.97 0.17 115.31 124.98 2kbx h LEU 38 Ca 0.35 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.39 2kbx h LEU 38 Cb 0.10 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 2kbx h LEU 38 CO -0.15 0.42 -0.30 0.45 -0.13 0.00 0.00 178.44 178.73 2kbx h HIS 39 N 0.83 -0.83 -0.46 1.25 3.86 -1.58 0.79 115.15 119.01 2kbx h HIS 39 Ca 0.39 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.69 2kbx h HIS 39 Cb 0.31 0.32 -0.07 0.00 1.06 0.00 0.00 27.41 29.02 2kbx h HIS 39 CO -0.05 -0.41 0.02 -1.49 0.86 0.00 0.00 177.93 176.86 2kbx h TRP 40 N -0.62 0.01 -0.71 2.45 4.06 -1.19 -1.07 115.95 118.88 2kbx h TRP 40 Ca -0.04 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.98 2kbx h TRP 40 Cb 0.53 0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 28.71 2kbx h TRP 40 CO -0.15 -0.08 0.43 0.00 -3.56 0.00 0.00 178.44 175.08 2kbx h ALA 41 N 1.40 0.94 -0.66 1.49 0.00 -0.34 -0.77 119.26 121.31 2kbx h ALA 41 Ca 0.23 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.25 2kbx h ALA 41 Cb 0.33 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 2kbx h ALA 41 CO -0.37 0.17 0.22 0.00 0.00 0.00 0.00 179.25 179.27 2kbx h ARG 43 N 0.36 0.00 0.58 0.00 0.11 -1.19 -3.35 114.38 110.90 2kbx h ARG 43 Ca 0.35 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.41 2kbx h ARG 43 Cb 0.50 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 2kbx h ARG 43 CO -0.38 0.11 -0.43 0.93 0.10 0.00 0.00 179.97 180.30 2kbx h GLU 44 N 0.00 -0.93 0.00 0.08 4.39 0.31 -3.47 114.58 114.96 2kbx h GLU 44 Ca -0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2kbx h GLU 44 Cb 1.09 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2kbx h GLU 44 CO 0.01 -0.62 0.00 0.41 -1.16 0.00 0.00 179.01 177.65 2kbx n GLY 45 N -1.52 1.07 2.60 -3.84 0.00 -1.17 -5.03 105.19 97.31 2kbx n GLY 45 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 3.35 -0.25 1.61 1.74 -1.26 -4.77 116.66 117.07 2kbx n ARG 46 Ca 0.00 -2.66 0.23 0.00 -0.77 0.00 0.00 57.85 54.65 2kbx n ARG 46 Cb 0.00 -3.04 0.43 0.00 -1.02 0.00 0.00 32.46 28.83 2kbx n ARG 46 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2kbx n SER 47 N 4.70 0.23 0.00 0.55 3.41 -1.26 -2.26 113.62 118.99 2kbx n SER 47 Ca 0.59 1.30 0.00 0.00 -0.26 0.00 0.00 58.87 60.51 2kbx n SER 47 Cb 0.33 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kbx n ALA 48 N -2.53 0.00 -0.33 7.33 0.00 -1.26 0.19 120.51 123.91 2kbx n ALA 48 Ca 0.28 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.95 2kbx n ALA 48 Cb 0.96 0.04 0.43 0.00 0.00 0.00 0.00 19.45 20.88 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 0.06 -0.30 0.00 -1.51 -1.81 0.14 116.25 112.83 2kbx h VAL 49 Ca 0.00 -0.02 -0.17 0.00 -1.23 0.00 0.00 66.70 65.28 2kbx h VAL 49 Cb 0.00 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.17 2kbx h VAL 49 CO 0.00 0.01 -0.49 1.62 -1.23 0.00 0.00 177.57 177.48 2kbx h VAL 50 N 0.05 1.28 -0.47 7.19 3.04 -1.43 -2.73 116.25 123.17 2kbx h VAL 50 Ca 0.71 -1.67 0.09 0.00 -1.01 0.00 0.00 66.70 64.82 2kbx h VAL 50 Cb 1.68 1.59 -0.08 0.00 -2.01 0.00 0.00 31.29 32.47 2kbx h VAL 50 CO -0.81 0.55 -0.07 -0.08 -1.01 0.00 0.00 177.57 176.14 2kbx h GLU 51 N 0.65 0.04 -0.73 4.17 4.81 0.26 -0.24 114.58 123.53 2kbx h GLU 51 Ca 0.02 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2kbx h GLU 51 Cb 1.09 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2kbx h GLU 51 CO 0.11 0.03 0.35 0.52 -0.73 0.00 0.00 179.01 179.29 2kbx h MET 52 N 0.04 1.06 0.21 1.92 2.86 -1.42 -2.72 114.93 116.88 2kbx h MET 52 Ca 0.23 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2kbx h MET 52 Cb 0.35 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2kbx h MET 52 CO -0.45 0.83 -0.29 1.25 1.06 0.00 0.00 176.91 179.31 2kbx h LEU 53 N 1.03 -0.81 -1.92 1.22 6.46 -0.78 0.40 115.31 120.92 2kbx h LEU 53 Ca 0.25 0.08 0.16 0.00 -0.12 0.00 0.00 57.88 58.25 2kbx h LEU 53 Cb 0.12 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2kbx h LEU 53 CO -0.03 -0.40 0.53 0.40 -0.62 0.00 0.00 178.44 178.32 2kbx h ILE 54 N -0.56 0.39 0.00 4.05 2.04 -0.97 0.62 117.51 123.08 2kbx h ILE 54 Ca 0.01 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 2kbx h ILE 54 Cb 0.55 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2kbx h ILE 54 CO -0.11 0.00 -0.67 0.24 0.00 0.00 0.00 178.15 177.61 2kbx h MET 55 N 0.00 0.00 -0.59 2.37 2.86 -0.67 -3.25 114.93 115.65 2kbx h MET 55 Ca 0.26 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.86 2kbx h MET 55 Cb 1.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 2kbx h MET 55 CO -0.00 0.46 0.22 -0.09 1.06 0.00 0.00 176.91 178.56 2kbx h ARG 56 N 0.00 0.86 0.00 1.72 2.43 0.15 -3.45 114.38 116.09 2kbx h ARG 56 Ca -0.03 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2kbx h ARG 56 Cb 1.42 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2kbx h ARG 56 CO 0.06 0.72 0.00 0.41 -1.51 0.00 0.00 179.97 179.65 2kbx n GLY 57 N -1.00 -0.09 3.72 2.80 0.00 -1.17 -5.13 105.19 104.33 2kbx n GLY 57 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.66 0.23 4.61 0.00 -1.24 -4.99 121.76 124.03 2kbx s ALA 58 Ca 0.00 1.25 -0.07 0.00 0.00 0.00 0.00 51.96 53.14 2kbx s ALA 58 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 2kbx s ALA 58 CO 0.00 -0.69 0.52 1.03 0.00 0.00 0.00 175.76 176.62 2kbx s ARG 59 N 0.69 3.71 0.35 0.00 0.52 -1.26 -4.65 118.95 118.30 2kbx s ARG 59 Ca 0.65 0.12 0.20 0.00 -0.52 0.00 0.00 55.73 56.18 2kbx s ARG 59 Cb -0.40 -2.68 0.19 0.00 0.52 0.00 0.00 34.95 32.58 2kbx s ARG 59 CO 0.34 0.31 1.46 0.82 0.02 0.00 0.00 175.30 178.24 2kbx h ILE 60 N 1.78 0.29 0.00 1.52 1.08 -1.96 -3.34 117.51 116.89 2kbx h ILE 60 Ca -0.47 -1.42 -0.37 0.00 -0.39 0.00 0.00 64.86 62.20 2kbx h ILE 60 Cb 1.18 2.08 -0.03 0.00 -3.07 0.00 0.00 36.82 36.97 2kbx h ILE 60 CO 0.69 0.17 1.25 -0.46 -0.69 0.00 0.00 178.15 179.10 2kbx n ASN 61 N -3.08 6.59 -4.54 1.72 0.23 -1.26 -4.47 115.26 110.45 2kbx n ASN 61 Ca 0.02 -2.51 -0.33 0.00 -0.53 0.00 0.00 54.58 51.23 2kbx n ASN 61 Cb 0.61 -1.47 -0.12 0.00 -2.08 0.00 0.00 39.78 36.72 2kbx n ASN 61 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2kbx s VAL 62 N 1.46 3.44 -0.23 3.53 -7.23 -1.26 -5.11 120.40 115.01 2kbx s VAL 62 Ca 0.68 -0.62 -0.05 0.00 -1.81 0.00 0.00 61.98 60.19 2kbx s VAL 62 Cb 0.27 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 2kbx s VAL 62 CO -0.02 0.57 -0.02 -0.04 -0.31 0.00 0.00 175.10 175.28 2kbx s MET 63 N -0.85 3.45 1.22 4.82 -1.94 -1.26 -4.31 119.30 120.43 2kbx s MET 63 Ca 0.13 -0.59 -0.15 0.00 -1.71 0.00 0.00 55.69 53.37 2kbx s MET 63 Cb -0.11 -3.08 0.29 0.00 2.01 0.00 0.00 34.83 33.94 2kbx s MET 63 CO 0.02 -0.18 0.87 -1.71 -0.01 0.00 0.00 175.02 174.01 2kbx n ASN 64 N 4.79 -2.22 0.12 3.03 2.85 -1.08 -4.75 115.26 118.00 2kbx n ASN 64 Ca -0.18 -0.28 0.03 0.00 -0.11 0.00 0.00 54.58 54.04 2kbx n ASN 64 Cb 0.51 -1.18 0.41 0.00 1.24 0.00 0.00 39.78 40.76 2kbx n ASN 64 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2kbx h ARG 65 N -2.79 0.24 -0.00 1.20 1.12 -1.83 -0.29 114.38 112.02 2kbx h ARG 65 Ca -0.60 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.22 2kbx h ARG 65 Cb 1.34 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.26 2kbx h ARG 65 CO 0.46 0.34 -0.07 0.41 -3.11 0.00 0.00 179.97 178.00 2kbx n GLY 66 N -0.97 -1.22 1.41 2.80 0.00 -1.26 -4.95 105.19 101.00 2kbx n GLY 66 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2kbx n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kbx n ASP 67 N -1.24 -1.88 -3.48 1.61 -0.08 -0.12 -5.03 116.55 106.33 2kbx n ASP 67 Ca 0.12 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.40 2kbx n ASP 67 Cb 0.28 -0.94 -0.04 0.00 2.34 0.00 0.00 41.12 42.76 2kbx n ASP 67 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kbx s ASP 68 N -0.47 -1.08 0.34 1.67 -1.08 -1.26 -4.75 116.67 110.05 2kbx s ASP 68 Ca 0.00 1.24 -0.19 0.00 -0.52 0.00 0.00 52.55 53.08 2kbx s ASP 68 Cb 0.00 2.12 -0.10 0.00 -1.46 0.00 0.00 42.92 43.48 2kbx s ASP 68 CO 0.00 -0.24 0.82 0.42 0.52 0.00 0.00 175.17 176.70 2kbx s THR 69 N 2.84 4.53 0.47 1.71 -4.23 -1.26 -2.63 115.64 117.07 2kbx s THR 69 Ca 0.04 1.25 0.19 0.00 -1.18 0.00 0.00 61.69 61.99 2kbx s THR 69 Cb -0.13 -3.68 0.36 0.00 1.34 0.00 0.00 72.50 70.39 2kbx s THR 69 CO -0.19 -0.15 1.98 1.55 -0.54 0.00 0.00 174.62 177.27 2kbx h PRO 70 N 2.38 0.23 -0.27 3.99 0.13 -1.78 -1.24 132.00 135.43 2kbx h PRO 70 Ca -0.48 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2kbx h PRO 70 Cb 1.18 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 2kbx h PRO 70 CO 0.64 0.15 -0.19 -0.07 -0.23 0.00 0.00 178.00 178.30 2kbx h LEU 71 N 0.23 -0.63 0.20 1.56 4.07 -1.92 2.18 115.31 121.00 2kbx h LEU 71 Ca 0.28 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.36 2kbx h LEU 71 Cb 0.79 0.32 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 2kbx h LEU 71 CO -0.06 -0.23 -0.16 0.45 -1.08 0.00 0.00 178.44 177.37 2kbx h HIS 72 N -0.17 -0.43 -0.80 1.13 3.86 -1.61 -1.55 115.15 115.58 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 0.40 0.16 -0.14 0.00 1.06 0.00 0.00 27.41 28.89 2kbx h HIS 72 CO -0.37 -0.22 0.03 -0.07 0.86 0.00 0.00 177.93 178.16 2kbx h LEU 73 N -0.34 -0.34 -0.06 2.43 3.38 -1.19 0.61 115.31 119.80 2kbx h LEU 73 Ca -0.03 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2kbx h LEU 73 Cb 0.29 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2kbx h LEU 73 CO 0.00 -0.20 -0.42 0.00 0.09 0.00 0.00 178.44 177.92 2kbx h ALA 74 N 1.75 -0.63 -0.37 1.53 0.00 0.39 0.14 119.26 122.07 2kbx h ALA 74 Ca 0.45 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 2kbx h ALA 74 Cb 0.82 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2kbx h ALA 74 CO -0.70 -0.94 -0.13 0.00 0.00 0.00 0.00 179.25 177.49 2kbx h ALA 75 N 0.04 1.08 0.00 0.00 0.00 -0.12 -1.16 119.26 119.11 2kbx h ALA 75 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kbx h ALA 75 Cb 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kbx h ALA 75 CO -0.35 0.56 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 2kbx n SER 76 N -4.17 0.00 -0.07 0.00 3.41 0.20 -3.06 113.62 109.92 2kbx n SER 76 Ca 0.01 -0.06 -0.05 0.00 -0.26 0.00 0.00 58.87 58.51 2kbx n SER 76 Cb 0.36 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 2kbx n SER 76 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2kbx n HIS 77 N -1.17 0.72 0.00 7.33 -0.00 0.35 -5.01 115.22 117.44 2kbx n HIS 77 Ca 0.06 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.56 2kbx n HIS 77 Cb 0.06 -0.70 0.00 0.00 -0.12 0.00 0.00 29.99 29.23 2kbx n HIS 77 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kbx n GLY 78 N 1.59 1.68 3.40 1.57 0.00 -1.17 -5.07 105.19 107.18 2kbx n GLY 78 Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 3.42 0.23 1.61 4.02 -1.26 -4.91 115.29 116.40 2kbx s HIS 79 Ca 0.00 -1.68 -0.14 0.00 1.02 0.00 0.00 55.06 54.26 2kbx s HIS 79 Cb 0.00 -4.08 0.29 0.00 -1.02 0.00 0.00 32.58 27.77 2kbx s HIS 79 CO 0.00 -1.26 1.58 0.00 1.02 0.00 0.00 174.74 176.08 2kbx h ARG 80 N 8.33 -0.04 0.44 1.40 2.47 -1.98 -2.35 114.38 122.66 2kbx h ARG 80 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 2kbx h ARG 80 Cb 1.03 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 2kbx h ARG 80 CO 0.95 -0.02 -0.42 0.22 0.56 0.00 0.00 179.97 181.26 2kbx h ASP 81 N -0.04 -1.15 -0.76 7.04 3.58 -2.01 -2.24 116.42 120.85 2kbx h ASP 81 Ca 0.35 0.09 0.17 0.00 0.42 0.00 0.00 57.03 58.06 2kbx h ASP 81 Cb 0.60 0.38 -0.11 0.00 1.72 0.00 0.00 39.33 41.91 2kbx h ASP 81 CO -0.84 -0.56 0.19 -0.29 -2.88 0.00 0.00 179.24 174.86 2kbx h ILE 82 N -0.85 0.50 0.03 2.25 2.10 -1.86 -1.32 117.51 118.35 2kbx h ILE 82 Ca -0.06 -0.09 0.03 0.00 1.08 0.00 0.00 64.86 65.82 2kbx h ILE 82 Cb 0.73 0.20 -0.05 0.00 -1.09 0.00 0.00 36.82 36.61 2kbx h ILE 82 CO -0.04 0.05 -0.36 0.58 -1.08 0.00 0.00 178.15 177.30 2kbx h VAL 83 N 0.27 0.24 -0.23 2.19 2.07 -1.14 0.86 116.25 120.52 2kbx h VAL 83 Ca 0.43 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.01 2kbx h VAL 83 Cb 0.75 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 2kbx h VAL 83 CO -0.52 0.00 -0.30 1.56 0.02 0.00 0.00 177.57 178.33 2kbx h GLN 84 N -0.53 -0.31 0.00 1.57 4.20 -0.65 1.18 115.11 120.57 2kbx h GLN 84 Ca 0.05 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2kbx h GLN 84 Cb 0.60 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 2kbx h GLN 84 CO -0.27 -0.21 -0.11 1.57 -0.67 0.00 0.00 178.83 179.15 2kbx h LYS 85 N -0.32 0.00 0.04 1.46 2.10 -1.18 -1.04 116.57 117.64 2kbx h LYS 85 Ca 0.13 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.50 2kbx h LYS 85 Cb 0.52 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 2kbx h LYS 85 CO -0.41 0.11 -1.44 1.25 -2.00 0.00 0.00 179.45 176.96 2kbx h LEU 86 N 0.00 0.15 0.00 7.07 7.12 0.20 -3.28 115.31 126.57 2kbx h LEU 86 Ca -0.00 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.79 2kbx h LEU 86 Cb 0.85 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 2kbx h LEU 86 CO 0.01 1.18 -0.63 -0.11 -0.13 0.00 0.00 178.44 178.77 2kbx n LEU 87 N -3.29 0.59 -1.03 2.25 0.00 0.40 -3.79 117.00 112.12 2kbx n LEU 87 Ca -0.12 0.09 0.11 0.00 0.00 0.00 0.00 56.01 56.09 2kbx n LEU 87 Cb 1.01 -0.20 0.26 0.00 0.00 0.00 0.00 43.42 44.50 2kbx n LEU 87 CO 0.47 0.04 0.73 0.00 0.00 0.00 0.00 177.39 178.63 2kbx n GLN 88 N -1.81 2.33 -0.09 1.96 6.02 -0.40 -2.73 117.38 122.66 2kbx n GLN 88 Ca 0.04 -2.03 -0.19 0.00 -0.01 0.00 0.00 57.00 54.81 2kbx n GLN 88 Cb 0.39 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 30.05 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 3.78 0.01 0.00 1.08 -1.99 -1.65 -3.43 116.97 114.76 2kbx h TYR 89 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2kbx h TYR 89 Cb 0.84 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.57 2kbx h TYR 89 CO 0.27 1.32 0.00 1.63 -0.00 0.00 0.00 178.16 181.38 2kbx n LYS 90 N -4.48 1.16 -3.98 4.88 5.02 -1.26 -5.03 118.16 114.46 2kbx n LYS 90 Ca -0.24 -0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 55.72 2kbx n LYS 90 Cb 0.62 -0.37 -0.02 0.00 -0.02 0.00 0.00 35.03 35.23 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 -0.18 -1.93 -0.26 7.82 0.00 -1.11 -4.78 120.51 120.07 2kbx n ALA 91 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 2kbx n ALA 91 Cb 0.07 -1.70 0.03 0.00 0.00 0.00 0.00 19.45 17.84 2kbx n ALA 91 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kbx n ASP 92 N -2.95 4.91 0.15 0.00 5.75 -1.26 -3.88 116.55 119.27 2kbx n ASP 92 Ca -0.27 -2.59 0.02 0.00 -0.01 0.00 0.00 54.79 51.94 2kbx n ASP 92 Cb 0.67 -0.91 0.20 0.00 -1.03 0.00 0.00 41.12 40.05 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 0.72 1.13 0.00 2.12 -0.00 -1.93 -2.25 117.51 117.31 2kbx h ILE 93 Ca 0.14 -1.98 0.00 0.00 -0.00 0.00 0.00 64.86 63.01 2kbx h ILE 93 Cb 1.12 2.15 0.00 0.00 -0.00 0.00 0.00 36.82 40.09 2kbx h ILE 93 CO 0.31 0.52 0.00 -0.46 -0.00 0.00 0.00 178.15 178.52 2kbx n ASN 94 N -3.55 1.92 -3.48 2.19 0.23 -1.25 -4.29 115.26 107.02 2kbx n ASN 94 Ca -0.00 -1.89 -0.29 0.00 -0.53 0.00 0.00 54.58 51.87 2kbx n ASN 94 Cb 0.61 -0.47 -0.12 0.00 -2.08 0.00 0.00 39.78 37.72 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 -0.46 0.99 1.10 -2.53 0.00 -0.85 -5.13 121.76 114.88 2kbx s ALA 95 Ca 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 51.96 49.95 2kbx s ALA 95 Cb 0.00 -1.61 0.22 0.00 0.00 0.00 0.00 23.12 21.73 2kbx s ALA 95 CO 0.00 -2.08 0.99 1.33 0.00 0.00 0.00 175.76 176.01 2kbx n VAL 96 N 4.09 0.00 0.00 0.00 0.24 -1.26 -5.01 118.33 116.39 2kbx n VAL 96 Ca 0.11 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2kbx n VAL 96 Cb 0.37 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 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 -4.10 0.00 -0.06 -1.34 2.04 -1.26 -4.91 115.26 105.63 2kbx n ASN 97 Ca 0.13 0.00 -0.04 0.00 -0.44 0.00 0.00 54.58 54.23 2kbx n ASN 97 Cb 0.48 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.58 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 0.67 0.06 -3.83 0.00 -1.26 -4.19 120.64 112.08 2kbx n GLU 98 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.29 2kbx n GLU 98 Cb 0.00 -1.58 0.24 0.00 0.00 0.00 0.00 31.44 30.10 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 -2.69 0.52 -0.02 -1.84 8.25 -1.26 -4.92 115.22 113.26 2kbx n HIS 99 Ca -0.22 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2kbx n HIS 99 Cb 0.98 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 1.36 0.28 3.54 -1.41 0.00 -1.26 -4.91 105.19 102.80 2kbx n GLY 100 Ca 0.04 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.51 2kbx n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kbx n ASN 101 N 0.00 2.09 -4.87 1.61 0.23 -1.26 -4.71 115.26 108.36 2kbx n ASN 101 Ca 0.00 0.74 -0.32 0.00 -0.53 0.00 0.00 54.58 54.47 2kbx n ASN 101 Cb 0.00 -1.17 -0.06 0.00 -2.08 0.00 0.00 39.78 36.48 2kbx n ASN 101 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2kbx s VAL 102 N 5.50 4.86 0.45 3.53 1.01 -1.26 -4.11 120.40 130.38 2kbx s VAL 102 Ca 1.06 0.62 0.25 0.00 0.00 0.00 0.00 61.98 63.90 2kbx s VAL 102 Cb -1.03 -3.62 0.44 0.00 0.00 0.00 0.00 36.38 32.17 2kbx s VAL 102 CO 0.58 -0.08 1.79 -0.65 0.00 0.00 0.00 175.10 176.74 2kbx h PRO 103 N 2.55 0.24 -0.39 2.72 0.11 -1.91 0.59 132.00 135.90 2kbx h PRO 103 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2kbx h PRO 103 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2kbx h PRO 103 CO 0.68 0.16 -0.07 1.25 -0.21 0.00 0.00 178.00 179.81 2kbx h LEU 104 N 0.25 0.74 -0.71 2.35 5.85 -1.96 0.28 115.31 122.12 2kbx h LEU 104 Ca 0.58 -0.35 0.14 0.00 0.84 0.00 0.00 57.88 59.09 2kbx h LEU 104 Cb 1.76 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 42.49 2kbx h LEU 104 CO -0.20 0.92 0.21 0.45 -0.34 0.00 0.00 178.44 179.48 2kbx h HIS 105 N 0.55 0.35 -0.02 1.25 3.86 -1.25 -0.65 115.15 119.23 2kbx h HIS 105 Ca 0.10 0.04 -0.25 0.00 -1.16 0.00 0.00 60.37 59.10 2kbx h HIS 105 Cb 0.58 -0.05 0.02 0.00 1.06 0.00 0.00 27.41 29.02 2kbx h HIS 105 CO 0.05 -0.01 -0.97 1.88 0.86 0.00 0.00 177.93 179.74 2kbx h TYR 106 N 0.34 1.02 -0.86 2.45 0.05 -1.37 -1.91 116.97 116.69 2kbx h TYR 106 Ca 0.39 -0.54 0.13 0.00 0.05 0.00 0.00 58.73 58.76 2kbx h TYR 106 Cb 0.61 -0.12 -0.09 0.00 1.01 0.00 0.00 36.73 38.14 2kbx h TYR 106 CO -0.22 1.38 0.47 0.00 -1.05 0.00 0.00 178.16 178.74 2kbx h ALA 107 N 0.42 1.29 0.00 3.88 0.00 0.92 -0.86 119.26 124.91 2kbx h ALA 107 Ca -0.11 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2kbx h ALA 107 Cb 1.62 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2kbx h ALA 107 CO 0.19 -0.02 -1.01 0.00 0.00 0.00 0.00 179.25 178.42 2kbx h PHE 109 N 0.00 0.32 0.00 0.00 3.04 -0.32 -3.03 116.94 116.95 2kbx h PHE 109 Ca -0.08 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.76 2kbx h PHE 109 Cb 1.58 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.97 2kbx h PHE 109 CO 0.00 0.12 -1.07 0.91 -2.02 0.00 0.00 178.31 176.25 2kbx n TRP 110 N -4.44 0.62 0.00 0.41 7.02 -1.00 -5.05 117.44 115.00 2kbx n TRP 110 Ca 0.13 0.27 0.00 0.00 -1.02 0.00 0.00 57.50 56.88 2kbx n TRP 110 Cb 0.56 -0.82 0.00 0.00 -2.42 0.00 0.00 31.31 28.63 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 1.49 0.08 2.60 6.99 0.00 -0.96 -5.12 105.19 110.27 2kbx n GLY 111 Ca -0.21 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 1.36 0.07 1.61 -1.52 -0.88 -4.99 119.66 115.32 2kbx s GLN 112 Ca 0.00 -2.35 -0.28 0.00 -1.95 0.00 0.00 55.36 50.79 2kbx s GLN 112 Cb 0.00 -2.12 -0.17 0.00 -0.22 0.00 0.00 33.01 30.50 2kbx s GLN 112 CO 0.00 -1.30 1.61 0.38 -0.25 0.00 0.00 175.29 175.73 2kbx h ASP 113 N 5.92 -0.37 -0.11 5.90 2.03 -1.99 -1.43 116.42 126.37 2kbx h ASP 113 Ca 0.16 -0.03 0.02 0.00 -0.73 0.00 0.00 57.03 56.45 2kbx h ASP 113 Cb 0.88 0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 39.44 2kbx h ASP 113 CO 0.48 -0.21 -0.25 1.56 -1.03 0.00 0.00 179.24 179.79 2kbx h GLN 114 N -0.49 -0.22 -0.72 4.15 1.08 -2.00 -0.55 115.11 116.36 2kbx h GLN 114 Ca -0.04 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.26 2kbx h GLN 114 Cb 0.37 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.80 2kbx h GLN 114 CO 0.07 -0.15 0.48 -0.39 -0.95 0.00 0.00 178.83 177.89 2kbx h VAL 115 N -0.23 0.94 -0.41 -0.54 -1.51 -1.97 -0.27 116.25 112.27 2kbx h VAL 115 Ca 0.02 -0.22 -0.01 0.00 -1.23 0.00 0.00 66.70 65.27 2kbx h VAL 115 Cb 0.29 0.25 -0.02 0.00 -2.13 0.00 0.00 31.29 29.68 2kbx h VAL 115 CO -0.23 0.12 0.23 0.00 -1.23 0.00 0.00 177.57 176.46 2kbx h ALA 116 N 1.63 1.64 0.22 5.19 0.00 -0.08 -2.16 119.26 125.69 2kbx h ALA 116 Ca 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2kbx h ALA 116 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kbx h ALA 116 CO -0.12 0.31 -0.10 1.49 0.00 0.00 0.00 179.25 180.83 2kbx h GLU 117 N 0.56 -0.28 -0.38 0.00 4.57 0.44 -2.76 114.58 116.73 2kbx h GLU 117 Ca 0.15 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.46 2kbx h GLU 117 Cb 0.00 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2kbx h GLU 117 CO -0.03 0.08 0.39 0.22 -1.18 0.00 0.00 179.01 178.49 2kbx h ASP 118 N -0.71 0.00 0.36 1.04 1.82 -1.17 0.40 116.42 118.16 2kbx h ASP 118 Ca -0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 2kbx h ASP 118 Cb 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2kbx h ASP 118 CO 0.05 0.00 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.44 2kbx h LEU 119 N 0.00 -0.41 0.00 2.28 3.38 -1.18 -3.07 115.31 116.32 2kbx h LEU 119 Ca 0.18 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2kbx h LEU 119 Cb 0.96 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2kbx h LEU 119 CO -0.00 0.04 0.00 0.55 0.09 0.00 0.00 178.44 179.11 2kbx n VAL 120 N -5.10 0.99 0.67 1.22 3.14 -0.89 -2.13 118.33 116.24 2kbx n VAL 120 Ca -0.06 0.25 0.07 0.00 -2.96 0.00 0.00 64.34 61.63 2kbx n VAL 120 Cb 0.19 -1.05 0.35 0.00 -1.06 0.00 0.00 33.84 32.27 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 -1.41 1.82 -0.12 1.55 0.00 0.14 -2.25 120.51 120.23 2kbx n ALA 121 Ca 0.04 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 2kbx n ALA 121 Cb 0.12 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.23 2.10 0.00 0.00 2.85 -0.90 -4.99 115.26 113.08 2kbx n ASN 122 Ca 0.07 -0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2kbx n ASN 122 Cb 0.09 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 40.70 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kbx n GLY 123 N 2.25 -0.66 0.29 8.20 0.00 -0.95 -4.98 105.19 109.33 2kbx n GLY 123 Ca -0.43 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 1.57 -4.13 4.61 0.00 -1.73 -3.46 119.26 116.13 2kbx h ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kbx h ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kbx h ALA 124 CO 0.00 -0.57 -0.89 -0.11 0.00 0.00 0.00 179.25 177.68 2kbx n LEU 125 N -2.48 -5.82 0.21 0.00 -0.00 -1.26 -4.61 117.00 103.03 2kbx n LEU 125 Ca -0.01 3.03 0.14 0.00 -0.00 0.00 0.00 56.01 59.17 2kbx n LEU 125 Cb 0.64 -3.01 0.39 0.00 -0.00 0.00 0.00 43.42 41.44 2kbx n LEU 125 CO 0.06 -1.69 0.88 1.62 -0.00 0.00 0.00 177.39 178.26 2kbx h VAL 126 N 4.01 0.00 -0.72 1.96 3.04 -1.92 -3.12 116.25 119.50 2kbx h VAL 126 Ca 0.00 -0.68 -0.44 0.00 -1.01 0.00 0.00 66.70 64.57 2kbx h VAL 126 Cb 0.00 1.65 -0.21 0.00 -2.01 0.00 0.00 31.29 30.72 2kbx h VAL 126 CO 0.00 0.00 0.56 -0.24 -1.01 0.00 0.00 177.57 176.88 2kbx n SER 127 N -2.85 5.49 0.25 3.17 2.88 -1.26 -4.60 113.62 116.69 2kbx n SER 127 Ca 0.03 -3.29 -0.16 0.00 -1.33 0.00 0.00 58.87 54.12 2kbx n SER 127 Cb 0.42 -0.90 -0.08 0.00 -0.75 0.00 0.00 64.21 62.90 2kbx n SER 127 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2kbx h ILE 128 N 0.87 0.41 -1.42 2.46 2.04 -1.80 -3.49 117.51 116.59 2kbx h ILE 128 Ca 0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.31 2kbx h ILE 128 Cb 1.52 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2kbx h ILE 128 CO 0.99 0.00 0.00 0.00 0.00 0.00 0.00 178.15 179.14 2kbx n ASN 130 N 0.00 0.00 0.08 0.00 4.05 -1.26 -4.60 115.26 113.53 2kbx n ASN 130 Ca 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.01 2kbx n ASN 130 Cb 0.00 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 40.95 2kbx n ASN 130 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 2kbx h LYS 131 N 0.00 0.00 0.00 1.20 1.57 -1.90 -3.34 116.57 114.09 2kbx h LYS 131 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2kbx h LYS 131 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2kbx h LYS 131 CO 0.00 0.60 -0.44 0.98 -0.57 0.00 0.00 179.45 180.01 2kbx n TYR 132 N -3.17 0.00 -0.77 -1.35 9.36 -1.26 -4.93 117.16 115.04 2kbx n TYR 132 Ca -0.03 -0.60 0.00 0.00 3.32 0.00 0.00 57.90 60.59 2kbx n TYR 132 Cb 0.85 -0.13 0.00 0.00 -0.63 0.00 0.00 39.34 39.43 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 -0.51 0.72 3.54 2.98 0.00 -1.26 -4.92 105.19 105.74 2kbx n GLY 133 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.47 0.56 -4.44 1.61 1.02 -1.26 -4.39 120.64 111.27 2kbx n GLU 134 Ca 0.00 -1.81 -0.24 0.00 -0.02 0.00 0.00 57.16 55.08 2kbx n GLU 134 Cb 0.00 -3.62 -0.09 0.00 -0.02 0.00 0.00 31.44 27.70 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 7.57 1.87 0.41 3.49 0.23 -1.26 -4.06 119.30 127.55 2kbx s MET 135 Ca 0.75 -1.76 0.18 0.00 -1.03 0.00 0.00 55.69 53.83 2kbx s MET 135 Cb 0.00 -1.84 1.09 0.00 -1.53 0.00 0.00 34.83 32.56 2kbx s MET 135 CO 0.19 0.25 1.83 -1.35 -2.03 0.00 0.00 175.02 173.92 2kbx h PRO 136 N 2.07 0.39 -0.90 3.16 0.11 -1.89 -1.16 132.00 133.78 2kbx h PRO 136 Ca -0.42 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 65.88 2kbx h PRO 136 Cb 1.25 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 2kbx h PRO 136 CO 0.64 0.26 0.43 0.28 -0.21 0.00 0.00 178.00 179.40 2kbx h VAL 137 N 0.40 0.54 0.02 3.15 2.07 -1.93 2.04 116.25 122.55 2kbx h VAL 137 Ca 0.50 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.86 2kbx h VAL 137 Cb 1.27 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2kbx h VAL 137 CO -0.20 0.09 -0.01 0.44 0.02 0.00 0.00 177.57 177.90 2kbx h ASP 138 N 0.48 -0.02 0.12 0.57 5.19 -1.52 0.46 116.42 121.70 2kbx h ASP 138 Ca 0.55 -0.72 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2kbx h ASP 138 Cb 0.99 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2kbx h ASP 138 CO -0.48 0.74 0.00 0.50 -3.12 0.00 0.00 179.24 176.88 2kbx h LYS 139 N -0.83 0.00 0.00 3.56 1.63 -1.09 0.30 116.57 120.14 2kbx h LYS 139 Ca -0.00 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 2kbx h LYS 139 Cb 0.74 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.33 2kbx h LYS 139 CO 0.00 0.00 -1.91 0.00 -3.45 0.00 0.00 179.45 174.09 2kbx n ALA 140 N -1.98 1.87 0.85 5.00 0.00 0.68 -3.91 120.51 123.03 2kbx n ALA 140 Ca -0.02 -0.86 0.14 0.00 0.00 0.00 0.00 53.44 52.69 2kbx n ALA 140 Cb 0.09 -0.62 0.53 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.75 0.10 0.04 0.00 0.00 0.16 -3.00 118.16 112.73 2kbx n LYS 141 Ca -0.18 0.08 -0.03 0.00 0.00 0.00 0.00 58.31 58.18 2kbx n LYS 141 Cb 0.94 -1.62 -0.01 0.00 0.00 0.00 0.00 35.03 34.33 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 2.81 -0.23 -0.99 3.14 0.00 -1.18 -3.20 119.26 119.61 2kbx h ALA 142 Ca 0.00 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.12 2kbx h ALA 142 Cb 0.59 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2kbx h ALA 142 CO 0.00 -0.21 0.67 -1.35 0.00 0.00 0.00 179.25 178.36 2kbx h PRO 143 N -0.92 0.23 -0.59 0.00 0.10 -1.73 -3.45 132.00 125.65 2kbx h PRO 143 Ca -0.02 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 66.07 2kbx h PRO 143 Cb 0.16 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 31.20 2kbx h PRO 143 CO 0.03 0.16 0.00 -0.11 0.10 0.00 0.00 178.00 178.18 2kbx n LEU 144 N -4.44 -1.22 0.21 2.35 -0.00 -1.19 -5.00 117.00 107.70 2kbx n LEU 144 Ca 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.13 2kbx n LEU 144 Cb 0.90 -0.32 -0.05 0.00 -0.00 0.00 0.00 43.42 43.96 2kbx n LEU 144 CO 0.32 0.00 0.52 0.03 -0.00 0.00 0.00 177.39 178.26 2kbx h ARG 145 N 0.00 -0.57 0.00 1.96 -0.00 -1.83 -3.44 114.38 110.50 2kbx h ARG 145 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 2kbx h ARG 145 Cb 0.63 0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.73 2kbx h ARG 145 CO 0.00 -0.38 0.00 -1.91 0.00 0.00 0.00 179.97 177.68 2kbx n GLU 146 N -3.85 0.00 0.13 0.04 2.13 -1.26 -4.79 120.64 113.04 2kbx n GLU 146 Ca -0.07 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.67 2kbx n GLU 146 Cb 0.25 -1.21 -0.04 0.00 0.27 0.00 0.00 31.44 30.71 2kbx n GLU 146 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2kbx h LEU 147 N 0.00 -0.35 -0.63 4.31 3.38 -1.96 -2.88 115.31 117.19 2kbx h LEU 147 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kbx h LEU 147 Cb 0.00 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kbx h LEU 147 CO 0.00 0.11 0.00 0.17 0.09 0.00 0.00 178.44 178.81 2kbx h LEU 148 N -1.09 0.00 0.21 1.67 8.10 -1.97 -2.92 115.31 119.30 2kbx h LEU 148 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 2kbx h LEU 148 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 2kbx h LEU 148 CO 0.07 0.00 -0.10 0.03 -4.11 0.00 0.00 178.44 174.33 2kbx h ARG 149 N 0.00 -0.27 -0.30 0.17 2.47 -1.92 0.77 114.38 115.30 2kbx h ARG 149 Ca 0.00 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.75 2kbx h ARG 149 Cb 0.67 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 2kbx h ARG 149 CO 0.00 -0.01 0.18 0.93 0.56 0.00 0.00 179.97 181.63 2kbx h GLU 150 N -0.50 0.36 -0.92 0.04 5.08 -1.47 1.16 114.58 118.34 2kbx h GLU 150 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2kbx h GLU 150 Cb 0.38 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2kbx h GLU 150 CO 0.05 0.24 0.53 0.00 -1.00 0.00 0.00 179.01 178.83 2kbx h ARG 151 N 0.37 1.26 0.16 2.33 2.47 -1.35 1.98 114.38 121.59 2kbx h ARG 151 Ca 0.12 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2kbx h ARG 151 Cb -0.01 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.06 2kbx h ARG 151 CO -0.05 0.89 -0.08 0.00 0.56 0.00 0.00 179.97 181.30 2kbx h ALA 152 N 1.31 -0.21 0.00 0.04 0.00 0.16 -3.08 119.26 117.49 2kbx h ALA 152 Ca 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kbx h ALA 152 Cb -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kbx h ALA 152 CO -0.06 -0.43 -0.09 0.93 0.00 0.00 0.00 179.25 179.60 2kbx h GLU 153 N -0.58 0.00 0.00 0.00 4.39 0.17 -2.57 114.58 115.99 2kbx h GLU 153 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kbx h GLU 153 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2kbx h GLU 153 CO 0.04 0.09 0.00 1.63 -1.16 0.00 0.00 179.01 179.61 2kbx n LYS 154 N -3.19 0.79 0.07 2.33 4.76 0.67 -2.35 118.16 121.25 2kbx n LYS 154 Ca 0.01 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.52 2kbx n LYS 154 Cb 0.41 -1.30 -0.03 0.00 -1.84 0.00 0.00 35.03 32.26 2kbx n LYS 154 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2kbx n MET 155 N -0.80 0.61 0.00 1.97 1.56 -0.97 -4.91 117.12 114.58 2kbx n MET 155 Ca 0.12 0.17 0.00 0.00 -0.27 0.00 0.00 57.70 57.71 2kbx n MET 155 Cb 0.05 -1.82 0.00 0.00 2.15 0.00 0.00 33.22 33.60 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 1.27 -0.42 1.79 -5.12 0.00 -0.99 -5.09 105.19 96.63 2kbx n GLY 156 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2kbx n GLY 156 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kbx n GLN 157 N 0.00 0.00 0.37 1.61 -0.06 -1.06 -4.98 117.38 113.27 2kbx n GLN 157 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.81 2kbx n GLN 157 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 2kbx n GLN 157 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 2kbx h ASN 158 N 0.00 -1.32 -0.79 1.69 7.08 -1.90 -3.05 115.58 117.29 2kbx h ASN 158 Ca 0.00 0.09 -0.72 0.00 -3.08 0.00 0.00 56.30 52.59 2kbx h ASN 158 Cb 0.00 0.41 -0.10 0.00 -2.08 0.00 0.00 38.32 36.56 2kbx h ASN 158 CO 0.00 -0.72 2.46 0.00 -2.08 0.00 0.00 177.43 177.09 2kbx n LEU 159 N -5.58 6.31 -4.40 6.14 -0.00 -1.26 -4.91 117.00 113.29 2kbx n LEU 159 Ca -0.14 -4.29 -0.42 0.00 -0.00 0.00 0.00 56.01 51.17 2kbx n LEU 159 Cb 0.49 -1.62 -0.10 0.00 -0.00 0.00 0.00 43.42 42.19 2kbx n LEU 159 CO 0.31 0.99 -0.11 0.54 -0.00 0.00 0.00 177.39 179.12 2kbx s ASN 160 N 2.63 5.91 0.82 1.45 2.20 -1.15 -5.01 114.94 121.78 2kbx s ASN 160 Ca 0.45 -1.00 -0.13 0.00 -0.94 0.00 0.00 52.86 51.24 2kbx s ASN 160 Cb 0.09 -2.09 0.09 0.00 -2.00 0.00 0.00 41.25 37.34 2kbx s ASN 160 CO -0.02 -0.43 1.15 0.54 -2.94 0.00 0.00 177.10 175.39 2kbx n ARG 161 N 5.07 0.09 -1.60 3.55 3.00 -1.26 -4.79 116.66 120.73 2kbx n ARG 161 Ca -0.11 0.11 -0.44 0.00 -0.01 0.00 0.00 57.85 57.40 2kbx n ARG 161 Cb 0.46 -2.39 -0.03 0.00 0.00 0.00 0.00 32.46 30.50 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 -3.40 0.39 -1.89 0.55 -6.64 -1.26 -4.91 119.36 102.19 2kbx n ILE 162 Ca 0.13 -0.40 -0.38 0.00 -1.77 0.00 0.00 62.75 60.33 2kbx n ILE 162 Cb 0.51 -2.44 0.03 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 6.07 3.19 0.00 6.28 0.02 -1.26 -4.99 135.00 144.31 2kbx s PRO 163 Ca 1.00 2.10 0.00 0.00 0.02 0.00 0.00 61.00 64.12 2kbx s PRO 163 Cb -0.40 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 31.90 2kbx s PRO 163 CO 0.38 -1.11 0.00 2.48 -0.33 0.00 0.00 177.00 178.42 2kbx n TYR 164 N -1.06 0.00 -3.07 6.54 4.11 -1.26 -4.96 117.16 117.47 2kbx n TYR 164 Ca 0.11 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.78 2kbx n TYR 164 Cb 0.46 0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.84 2kbx n TYR 164 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2kbx n LYS 165 N 0.00 -4.99 -1.72 -3.48 4.81 -1.26 -4.80 118.16 106.73 2kbx n LYS 165 Ca 0.00 0.89 -0.01 0.00 -0.87 0.00 0.00 58.31 58.32 2kbx n LYS 165 Cb 0.00 -5.76 0.04 0.00 0.02 0.00 0.00 35.03 29.33 2kbx n LYS 165 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kbx n ASP 166 N -2.54 -0.58 0.02 3.14 2.03 -1.26 -5.01 116.55 112.34 2kbx n ASP 166 Ca -0.10 -1.37 0.00 0.00 0.52 0.00 0.00 54.79 53.83 2kbx n ASP 166 Cb 0.61 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 2kbx n ASP 166 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2kbx n THR 167 N -0.52 0.00 -3.87 5.18 5.66 -1.26 -5.03 114.28 114.43 2kbx n THR 167 Ca -0.09 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.61 2kbx n THR 167 Cb 0.61 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.26 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 -2.00 2.79 0.00 1.09 -0.12 -1.26 -4.66 117.98 113.82 2kbx s PHE 168 Ca 0.00 -2.94 0.00 0.00 -0.05 0.00 0.00 56.93 53.94 2kbx s PHE 168 Cb 0.00 -2.52 0.00 0.00 -0.63 0.00 0.00 43.02 39.87 2kbx s PHE 168 CO 0.00 -0.75 0.00 0.91 -0.05 0.00 0.00 175.22 175.33 2kbx n TRP 169 N 3.25 0.00 0.00 3.49 7.02 -1.26 -4.86 117.44 125.08 2kbx n TRP 169 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 2kbx n TRP 169 Cb 0.33 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 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 -0.33 0.00 0.00 -0.99 4.76 -1.26 -5.15 118.16 115.19 2kbx n LYS 170 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kbx n LYS 170 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44