#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx s ASP 2 N 0.00 -0.83 0.85 7.83 1.11 -1.26 -5.01 116.67 119.36 2kbx s ASP 2 Ca 0.00 -1.47 0.00 0.00 0.18 0.00 0.00 52.55 51.26 2kbx s ASP 2 Cb 0.00 1.52 0.00 0.00 1.07 0.00 0.00 42.92 45.51 2kbx s ASP 2 CO 0.00 -0.14 0.00 0.47 1.18 0.00 0.00 175.17 176.68 2kbx n ASP 3 N 3.69 -4.65 0.22 0.27 8.00 -1.26 -2.27 116.55 120.54 2kbx n ASP 3 Ca 0.15 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.81 2kbx n ASP 3 Cb 0.54 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 42.30 2kbx n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2kbx h ILE 4 N 0.00 0.00 -0.79 0.53 -2.65 -2.00 -2.29 117.51 110.30 2kbx h ILE 4 Ca 0.00 -0.30 0.08 0.00 1.03 0.00 0.00 64.86 65.68 2kbx h ILE 4 Cb 0.00 1.14 -0.07 0.00 -2.05 0.00 0.00 36.82 35.85 2kbx h ILE 4 CO 0.00 0.00 0.46 0.15 0.03 0.00 0.00 178.15 178.79 2kbx h PHE 5 N 0.00 0.83 0.02 0.16 3.57 -1.96 2.36 116.94 121.92 2kbx h PHE 5 Ca 0.00 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 2kbx h PHE 5 Cb 0.35 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.85 2kbx h PHE 5 CO 0.00 0.36 -0.60 1.15 -2.23 0.00 0.00 178.31 176.99 2kbx h THR 6 N 0.79 1.45 0.00 4.41 2.02 -0.97 -2.95 112.91 117.66 2kbx h THR 6 Ca 0.37 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.41 2kbx h THR 6 Cb 0.30 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2kbx h THR 6 CO -0.23 0.62 0.00 0.00 0.37 0.00 0.00 175.52 176.28 2kbx n GLN 7 N -4.23 0.50 -0.08 6.66 1.13 -0.77 -3.25 117.38 117.34 2kbx n GLN 7 Ca -0.11 0.04 -0.14 0.00 -1.94 0.00 0.00 57.00 54.86 2kbx n GLN 7 Cb 0.68 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.44 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 -4.56 0.27 0.00 0.00 1.85 -1.18 -2.36 116.66 110.68 2kbx n ARG 9 Ca -0.17 0.08 0.03 0.00 -1.00 0.00 0.00 57.85 56.79 2kbx n ARG 9 Cb 0.47 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.57 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 -1.12 0.73 -0.37 2.89 -0.58 -1.21 -4.74 120.64 116.23 2kbx n GLU 10 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2kbx n GLU 10 Cb 0.06 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 0.29 0.74 2.15 0.62 0.00 -1.00 -4.93 105.19 103.06 2kbx n GLY 11 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2kbx n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbx n ASN 12 N 0.00 5.73 -0.13 1.61 3.02 -1.15 -4.56 115.26 119.78 2kbx n ASN 12 Ca 0.00 -2.43 0.26 0.00 -0.03 0.00 0.00 54.58 52.38 2kbx n ASN 12 Cb 0.00 -1.34 0.49 0.00 -0.61 0.00 0.00 39.78 38.32 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx h ALA 13 N 3.88 2.76 -0.05 5.41 0.00 -1.91 2.34 119.26 131.70 2kbx h ALA 13 Ca 0.36 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 2kbx h ALA 13 Cb 1.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2kbx h ALA 13 CO 0.70 -1.50 -0.73 -0.24 0.00 0.00 0.00 179.25 177.47 2kbx h VAL 14 N 0.00 1.42 0.14 0.00 3.04 -1.95 -2.82 116.25 116.08 2kbx h VAL 14 Ca 0.42 -2.24 -0.29 0.00 -1.01 0.00 0.00 66.70 63.57 2kbx h VAL 14 Cb 2.52 2.19 0.02 0.00 -2.01 0.00 0.00 31.29 34.01 2kbx h VAL 14 CO -0.00 0.66 -1.26 0.00 -1.01 0.00 0.00 177.57 175.95 2kbx h ALA 15 N 1.05 0.02 -0.76 3.17 0.00 0.36 -2.58 119.26 120.52 2kbx h ALA 15 Ca -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 2kbx h ALA 15 Cb 1.30 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2kbx h ALA 15 CO 0.12 0.76 0.34 -0.39 0.00 0.00 0.00 179.25 180.07 2kbx h VAL 16 N 0.21 1.24 -0.10 0.00 -1.51 -1.44 -2.13 116.25 112.52 2kbx h VAL 16 Ca -0.18 -0.72 -0.17 0.00 -1.23 0.00 0.00 66.70 64.40 2kbx h VAL 16 Cb 1.94 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2kbx h VAL 16 CO 0.23 0.30 -0.67 0.08 -1.23 0.00 0.00 177.57 176.28 2kbx h ARG 17 N 1.08 0.42 -0.51 5.19 -0.00 -1.54 -2.54 114.38 116.48 2kbx h ARG 17 Ca 0.26 -0.32 0.10 0.00 -0.00 0.00 0.00 59.98 60.02 2kbx h ARG 17 Cb 0.15 0.06 -0.10 0.00 -0.00 0.00 0.00 29.97 30.07 2kbx h ARG 17 CO -0.03 0.94 -0.21 1.37 -0.00 0.00 0.00 179.97 182.05 2kbx h LEU 18 N 0.30 -0.72 -0.36 0.08 8.10 -0.96 0.23 115.31 121.97 2kbx h LEU 18 Ca -0.02 0.18 -0.12 0.00 0.11 0.00 0.00 57.88 58.03 2kbx h LEU 18 Cb 1.23 0.41 -0.02 0.00 -0.44 0.00 0.00 40.66 41.84 2kbx h LEU 18 CO 0.12 -0.24 -0.57 4.11 -4.11 0.00 0.00 178.44 177.75 2kbx h TRP 19 N -0.09 0.00 -0.47 0.17 5.08 -1.52 -3.11 115.95 116.01 2kbx h TRP 19 Ca 0.24 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.17 2kbx h TRP 19 Cb 0.46 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.60 2kbx h TRP 19 CO -0.50 0.57 0.14 1.25 -1.28 0.00 0.00 178.44 178.63 2kbx h LEU 20 N 0.00 0.63 -3.15 0.11 6.46 -0.58 -1.61 115.31 117.17 2kbx h LEU 20 Ca -0.01 -0.09 -0.26 0.00 -0.12 0.00 0.00 57.88 57.41 2kbx h LEU 20 Cb 1.28 -0.16 -0.13 0.00 -0.73 0.00 0.00 40.66 40.92 2kbx h LEU 20 CO 0.07 0.60 0.33 -0.67 -0.62 0.00 0.00 178.44 178.16 2kbx n ASP 21 N -4.33 4.86 -4.64 1.25 2.03 -0.23 -4.93 116.55 110.57 2kbx n ASP 21 Ca 0.03 -2.85 -0.46 0.00 0.52 0.00 0.00 54.79 52.03 2kbx n ASP 21 Cb 0.18 -0.86 -0.04 0.00 -0.72 0.00 0.00 41.12 39.69 2kbx n ASP 21 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kbx n ASN 22 N 0.12 3.49 0.00 1.67 5.15 -0.61 -4.78 115.26 120.31 2kbx n ASN 22 Ca 0.27 0.74 0.10 0.00 -0.60 0.00 0.00 54.58 55.08 2kbx n ASN 22 Cb 0.79 -1.44 0.55 0.00 -0.53 0.00 0.00 39.78 39.15 2kbx n ASN 22 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2kbx n THR 23 N 5.99 0.08 0.20 -0.44 5.66 -1.26 -1.93 114.28 122.58 2kbx n THR 23 Ca 0.25 0.02 0.05 0.00 -3.05 0.00 0.00 64.05 61.32 2kbx n THR 23 Cb 0.35 -0.72 -0.07 0.00 -1.55 0.00 0.00 70.33 68.34 2kbx n THR 23 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kbx n GLU 24 N -1.05 1.78 -3.05 1.09 -0.58 -1.26 -5.06 120.64 112.51 2kbx n GLU 24 Ca 0.13 -0.05 -0.17 0.00 -0.42 0.00 0.00 57.16 56.65 2kbx n GLU 24 Cb 0.08 -1.13 0.02 0.00 -0.57 0.00 0.00 31.44 29.84 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 -1.59 -7.21 0.00 1.62 5.03 -0.81 -4.92 115.26 107.37 2kbx n ASN 25 Ca -0.00 0.37 0.00 0.00 0.87 0.00 0.00 54.58 55.82 2kbx n ASN 25 Cb 0.22 -4.21 0.00 0.00 -1.02 0.00 0.00 39.78 34.77 2kbx n ASN 25 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2kbx n ASP 26 N -0.19 0.00 0.03 6.41 5.75 -1.26 -4.84 116.55 122.46 2kbx n ASP 26 Ca 0.05 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.84 2kbx n ASP 26 Cb 0.51 0.16 0.06 0.00 -1.03 0.00 0.00 41.12 40.82 2kbx n ASP 26 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2kbx n LEU 27 N -1.86 0.06 -0.77 -2.12 4.77 -1.26 0.57 117.00 116.38 2kbx n LEU 27 Ca 0.00 0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2kbx n LEU 27 Cb 0.00 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2kbx n LEU 27 CO 0.00 -0.35 0.39 -0.46 -1.33 0.00 0.00 177.39 175.64 2kbx n ASN 28 N -1.42 1.95 -4.79 -1.43 6.94 -1.26 -4.85 115.26 110.40 2kbx n ASN 28 Ca -0.00 -2.09 -0.34 0.00 -0.02 0.00 0.00 54.58 52.13 2kbx n ASN 28 Cb 0.23 -0.52 -0.03 0.00 -2.36 0.00 0.00 39.78 37.11 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 -0.82 3.70 0.00 -3.83 2.00 0.19 -4.69 119.66 116.22 2kbx s GLN 29 Ca 0.04 1.40 0.00 0.00 -2.00 0.00 0.00 55.36 54.80 2kbx s GLN 29 Cb 0.03 -2.08 0.00 0.00 0.80 0.00 0.00 33.01 31.77 2kbx s GLN 29 CO 0.01 -0.52 0.00 0.41 -0.50 0.00 0.00 175.29 174.69 2kbx n GLY 30 N -0.21 0.61 3.26 2.59 0.00 -1.26 -4.48 105.19 105.70 2kbx n GLY 30 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.71 0.84 0.11 1.61 1.11 0.47 -4.92 116.67 115.17 2kbx s ASP 31 Ca 0.00 -1.35 0.26 0.00 0.18 0.00 0.00 52.55 51.64 2kbx s ASP 31 Cb 0.00 0.23 0.98 0.00 1.07 0.00 0.00 42.92 45.20 2kbx s ASP 31 CO 0.00 -0.74 1.80 -0.67 1.18 0.00 0.00 175.17 176.74 2kbx n ASP 32 N -0.35 0.38 -0.11 0.27 2.03 -1.26 -2.47 116.55 115.03 2kbx n ASP 32 Ca -0.01 0.55 0.13 0.00 0.52 0.00 0.00 54.79 55.98 2kbx n ASP 32 Cb 0.66 -0.64 0.43 0.00 -0.72 0.00 0.00 41.12 40.84 2kbx n ASP 32 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kbx n HIS 33 N -1.86 0.00 0.00 -0.67 -0.00 -1.26 -4.91 115.22 106.51 2kbx n HIS 33 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2kbx n HIS 33 Cb 0.34 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 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 1.39 1.03 3.68 -1.41 0.00 -1.03 -4.01 105.19 104.84 2kbx n GLY 34 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 3.49 0.40 1.61 0.08 -1.26 -4.65 117.98 115.64 2kbx s PHE 35 Ca 0.00 1.41 0.07 0.00 0.12 0.00 0.00 56.93 58.53 2kbx s PHE 35 Cb 0.00 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2kbx s PHE 35 CO 0.00 -0.18 0.55 -1.54 -0.10 0.00 0.00 175.22 173.94 2kbx s SER 36 N 1.08 5.76 0.26 1.36 1.04 -1.26 -0.40 113.70 121.54 2kbx s SER 36 Ca 0.43 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.51 2kbx s SER 36 Cb -0.18 -0.88 0.38 0.00 0.10 0.00 0.00 66.02 65.44 2kbx s SER 36 CO 0.16 -0.66 1.90 -0.65 0.98 0.00 0.00 173.24 174.96 2kbx h PRO 37 N 0.70 1.18 -1.00 4.02 0.10 -1.84 -0.81 132.00 134.36 2kbx h PRO 37 Ca -0.42 -0.07 0.14 0.00 0.10 0.00 0.00 66.00 65.75 2kbx h PRO 37 Cb 1.27 -0.27 -0.09 0.00 0.10 0.00 0.00 31.00 32.01 2kbx h PRO 37 CO 0.48 0.78 0.63 1.25 0.10 0.00 0.00 178.00 181.24 2kbx h LEU 38 N 1.22 0.89 0.53 2.35 6.46 -1.96 0.36 115.31 125.15 2kbx h LEU 38 Ca 0.42 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 58.21 2kbx h LEU 38 Cb 0.09 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.91 2kbx h LEU 38 CO -0.15 0.43 -0.26 0.45 -0.62 0.00 0.00 178.44 178.30 2kbx h HIS 39 N 0.93 -0.66 -0.75 1.25 3.86 -1.53 -1.62 115.15 116.62 2kbx h HIS 39 Ca 0.52 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.89 2kbx h HIS 39 Cb 0.61 0.22 -0.12 0.00 1.06 0.00 0.00 27.41 29.17 2kbx h HIS 39 CO -0.00 -0.41 0.10 -1.49 0.86 0.00 0.00 177.93 176.99 2kbx h TRP 40 N -0.76 0.13 0.10 2.45 4.06 -1.18 -2.15 115.95 118.59 2kbx h TRP 40 Ca -0.07 0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.93 2kbx h TRP 40 Cb 0.55 0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.74 2kbx h TRP 40 CO 0.09 -0.17 -0.33 0.00 -3.56 0.00 0.00 178.44 174.47 2kbx h ALA 41 N 1.67 -0.85 -1.44 1.49 0.00 -0.09 -0.05 119.26 120.00 2kbx h ALA 41 Ca 0.43 -0.07 0.42 0.00 0.00 0.00 0.00 54.91 55.68 2kbx h ALA 41 Cb 0.76 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 2kbx h ALA 41 CO -0.59 -0.92 1.02 0.00 0.00 0.00 0.00 179.25 178.75 2kbx h ARG 43 N 0.05 -0.77 -0.22 0.00 9.65 -0.69 -3.23 114.38 119.16 2kbx h ARG 43 Ca 0.72 0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.71 2kbx h ARG 43 Cb 2.73 0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 31.42 2kbx h ARG 43 CO -0.09 -0.52 -0.15 1.05 2.80 0.00 0.00 179.97 183.06 2kbx h GLU 44 N -0.87 -0.14 0.00 0.20 4.11 -0.86 -3.46 114.58 113.56 2kbx h GLU 44 Ca -0.08 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2kbx h GLU 44 Cb 0.62 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2kbx h GLU 44 CO 0.13 -0.09 0.00 0.41 0.07 0.00 0.00 179.01 179.53 2kbx n GLY 45 N -1.31 1.19 2.85 1.06 0.00 -0.88 -5.00 105.19 103.10 2kbx n GLY 45 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.63 1.32 -0.24 1.61 5.12 -1.26 -4.69 116.66 117.89 2kbx n ARG 46 Ca 0.00 -1.25 0.13 0.00 -1.93 0.00 0.00 57.85 54.80 2kbx n ARG 46 Cb 0.00 -2.42 0.25 0.00 -1.16 0.00 0.00 32.46 29.13 2kbx n ARG 46 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2kbx n SER 47 N 5.26 -0.03 0.00 0.55 2.88 -1.26 -2.18 113.62 118.84 2kbx n SER 47 Ca 0.34 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 59.09 2kbx n SER 47 Cb 0.16 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbx n ALA 48 N -3.16 -0.01 -0.33 -1.46 0.00 -1.26 -1.22 120.51 113.07 2kbx n ALA 48 Ca 0.19 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.89 2kbx n ALA 48 Cb 0.61 0.07 0.49 0.00 0.00 0.00 0.00 19.45 20.62 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 0.05 -0.39 0.00 -1.51 -1.85 0.17 116.25 112.73 2kbx h VAL 49 Ca 0.00 -0.02 -0.10 0.00 -1.23 0.00 0.00 66.70 65.35 2kbx h VAL 49 Cb 0.00 -0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 2kbx h VAL 49 CO 0.00 0.01 -0.15 1.62 -1.23 0.00 0.00 177.57 177.82 2kbx h VAL 50 N 0.05 1.28 -0.75 7.19 3.04 -1.42 -2.63 116.25 123.01 2kbx h VAL 50 Ca 0.76 -1.27 0.14 0.00 -1.01 0.00 0.00 66.70 65.33 2kbx h VAL 50 Cb 1.89 1.29 -0.10 0.00 -2.01 0.00 0.00 31.29 32.36 2kbx h VAL 50 CO -0.78 0.42 0.29 -0.08 -1.01 0.00 0.00 177.57 176.41 2kbx h GLU 51 N 0.58 0.41 -0.58 4.17 4.81 0.79 0.12 114.58 124.89 2kbx h GLU 51 Ca 0.09 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 2kbx h GLU 51 Cb 0.69 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2kbx h GLU 51 CO 0.05 0.27 0.06 0.52 -0.73 0.00 0.00 179.01 179.18 2kbx h MET 52 N 0.42 0.98 -0.15 1.92 2.86 -1.33 -3.05 114.93 116.58 2kbx h MET 52 Ca 0.42 -0.28 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2kbx h MET 52 Cb 0.64 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 2kbx h MET 52 CO -0.42 0.95 -0.19 1.25 1.06 0.00 0.00 176.91 179.56 2kbx h LEU 53 N 0.87 -0.60 -0.77 1.22 7.12 -0.62 0.54 115.31 123.07 2kbx h LEU 53 Ca 0.17 0.11 0.17 0.00 0.13 0.00 0.00 57.88 58.46 2kbx h LEU 53 Cb 0.47 0.28 -0.14 0.00 -0.53 0.00 0.00 40.66 40.74 2kbx h LEU 53 CO 0.02 -0.24 -0.06 0.40 -0.13 0.00 0.00 178.44 178.43 2kbx h ILE 54 N -0.23 0.29 0.00 4.05 5.03 -1.27 0.28 117.51 125.66 2kbx h ILE 54 Ca 0.10 -0.02 -0.15 0.00 -0.12 0.00 0.00 64.86 64.68 2kbx h ILE 54 Cb 0.39 0.22 -0.02 0.00 -3.03 0.00 0.00 36.82 34.38 2kbx h ILE 54 CO -0.28 0.01 -0.70 0.24 -0.68 0.00 0.00 178.15 176.73 2kbx h MET 55 N 0.06 0.00 -0.94 2.37 2.86 -1.33 -3.18 114.93 114.77 2kbx h MET 55 Ca 0.41 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 58.22 2kbx h MET 55 Cb 0.70 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.25 2kbx h MET 55 CO -0.71 0.70 0.54 -0.09 1.06 0.00 0.00 176.91 178.40 2kbx h ARG 56 N 0.00 0.68 0.00 1.72 2.43 0.38 -3.43 114.38 116.16 2kbx h ARG 56 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2kbx h ARG 56 Cb 1.45 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2kbx h ARG 56 CO 0.09 0.45 0.00 0.41 -1.51 0.00 0.00 179.97 179.41 2kbx n GLY 57 N -1.33 0.00 3.88 2.80 0.00 -1.07 -5.08 105.19 104.39 2kbx n GLY 57 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 3.37 0.29 4.61 0.00 -1.20 -5.06 121.76 123.77 2kbx s ALA 58 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 2kbx s ALA 58 Cb 0.00 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.40 2kbx s ALA 58 CO 0.00 -0.05 0.58 1.03 0.00 0.00 0.00 175.76 177.32 2kbx s ARG 59 N -3.97 3.68 0.00 0.00 0.52 -1.26 -4.83 118.95 113.09 2kbx s ARG 59 Ca 0.50 0.11 0.25 0.00 -0.52 0.00 0.00 55.73 56.07 2kbx s ARG 59 Cb -0.10 -2.62 0.55 0.00 0.52 0.00 0.00 34.95 33.30 2kbx s ARG 59 CO 0.33 0.21 1.44 -0.89 0.02 0.00 0.00 175.30 176.41 2kbx n ILE 60 N -0.81 0.00 -2.57 1.52 2.08 -1.26 -4.18 119.36 114.13 2kbx n ILE 60 Ca -0.01 -0.03 -0.33 0.00 0.56 0.00 0.00 62.75 62.94 2kbx n ILE 60 Cb 0.54 0.31 -0.00 0.00 -0.75 0.00 0.00 39.64 39.73 2kbx n ILE 60 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2kbx n ASN 61 N -1.28 5.80 -4.43 4.38 0.23 -1.26 -4.64 115.26 114.06 2kbx n ASN 61 Ca 0.07 -3.72 -0.29 0.00 -0.53 0.00 0.00 54.58 50.11 2kbx n ASN 61 Cb 0.34 -0.78 -0.12 0.00 -2.08 0.00 0.00 39.78 37.14 2kbx n ASN 61 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kbx s VAL 62 N -4.81 2.51 -0.01 3.53 0.11 -1.26 -5.11 120.40 115.36 2kbx s VAL 62 Ca 0.47 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 2kbx s VAL 62 Cb 0.32 -2.12 0.01 0.00 -1.53 0.00 0.00 36.38 33.05 2kbx s VAL 62 CO -0.20 0.11 -0.01 -0.32 -3.33 0.00 0.00 175.10 171.35 2kbx s MET 63 N -2.06 0.12 0.71 1.54 1.75 -1.26 -3.97 119.30 116.12 2kbx s MET 63 Ca 0.16 0.01 -0.10 0.00 -1.25 0.00 0.00 55.69 54.50 2kbx s MET 63 Cb -0.10 -0.18 0.03 0.00 2.84 0.00 0.00 34.83 37.41 2kbx s MET 63 CO 0.08 -0.02 1.07 0.54 -0.65 0.00 0.00 175.02 176.03 2kbx s ASN 64 N 0.29 5.21 0.47 1.11 4.22 -1.10 -4.85 114.94 120.29 2kbx s ASN 64 Ca -0.02 0.91 0.17 0.00 -2.14 0.00 0.00 52.86 51.78 2kbx s ASN 64 Cb -0.04 -1.66 1.16 0.00 1.28 0.00 0.00 41.25 41.98 2kbx s ASN 64 CO -0.01 -1.44 2.01 0.08 -2.04 0.00 0.00 177.10 175.71 2kbx h ARG 65 N -0.65 0.24 -1.15 3.55 0.11 -1.83 -0.34 114.38 114.30 2kbx h ARG 65 Ca -0.45 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 2kbx h ARG 65 Cb 1.28 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 2kbx h ARG 65 CO 0.63 0.16 0.04 0.41 0.10 0.00 0.00 179.97 181.31 2kbx n GLY 66 N -1.55 2.23 3.25 0.08 0.00 -1.26 -4.87 105.19 103.07 2kbx n GLY 66 Ca 0.08 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2kbx n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kbx n ASP 67 N 0.57 -6.39 -3.24 1.61 5.75 -0.14 -4.99 116.55 109.73 2kbx n ASP 67 Ca 0.03 0.28 -0.03 0.00 -0.01 0.00 0.00 54.79 55.06 2kbx n ASP 67 Cb 0.56 -2.31 -0.03 0.00 -1.03 0.00 0.00 41.12 38.30 2kbx n ASP 67 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kbx s ASP 68 N -1.40 -0.54 0.44 -1.12 -1.08 -1.25 -4.90 116.67 106.81 2kbx s ASP 68 Ca 0.19 -0.02 -0.05 0.00 -0.52 0.00 0.00 52.55 52.15 2kbx s ASP 68 Cb -0.02 1.55 -0.04 0.00 -1.46 0.00 0.00 42.92 42.95 2kbx s ASP 68 CO 0.51 -0.32 0.73 0.42 0.52 0.00 0.00 175.17 177.03 2kbx s THR 69 N 2.68 4.94 0.23 1.71 -4.23 -1.26 -2.72 115.64 116.99 2kbx s THR 69 Ca 0.11 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 2kbx s THR 69 Cb -0.12 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 70.17 2kbx s THR 69 CO -0.27 -0.75 1.61 -0.65 -0.54 0.00 0.00 174.62 174.02 2kbx h PRO 70 N 0.47 0.01 -0.26 3.99 0.11 -1.82 -1.08 132.00 133.40 2kbx h PRO 70 Ca -0.47 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 2kbx h PRO 70 Cb 1.20 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 2kbx h PRO 70 CO 0.62 0.00 -0.31 1.25 -0.21 0.00 0.00 178.00 179.35 2kbx h LEU 71 N 0.01 -1.01 0.00 2.35 7.12 -1.89 1.61 115.31 123.49 2kbx h LEU 71 Ca 0.36 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.53 2kbx h LEU 71 Cb 0.55 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 2kbx h LEU 71 CO -0.75 -0.33 0.00 1.41 -0.13 0.00 0.00 178.44 178.64 2kbx n HIS 72 N -5.41 0.00 -0.37 1.25 8.25 -0.45 0.13 115.22 118.63 2kbx n HIS 72 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2kbx n HIS 72 Cb 0.33 -0.46 0.17 0.00 1.12 0.00 0.00 29.99 31.14 2kbx n HIS 72 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 2kbx h LEU 73 N 0.00 1.05 -0.07 2.41 8.10 -1.22 2.00 115.31 127.58 2kbx h LEU 73 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kbx h LEU 73 Cb 0.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 39.99 2kbx h LEU 73 CO 0.00 0.69 0.03 0.00 -4.11 0.00 0.00 178.44 175.05 2kbx h ALA 74 N 1.44 0.10 0.00 0.17 0.00 0.26 -2.51 119.26 118.72 2kbx h ALA 74 Ca 0.42 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2kbx h ALA 74 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kbx h ALA 74 CO -0.15 -0.31 -0.31 0.00 0.00 0.00 0.00 179.25 178.48 2kbx h ALA 75 N 0.85 0.90 -0.35 0.00 0.00 0.16 -3.23 119.26 117.59 2kbx h ALA 75 Ca 0.02 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2kbx h ALA 75 Cb 0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2kbx h ALA 75 CO -0.00 0.39 -0.10 1.03 0.00 0.00 0.00 179.25 180.56 2kbx h SER 76 N 0.00 -0.37 -0.96 0.00 0.87 0.36 -0.17 113.55 113.28 2kbx h SER 76 Ca -0.00 0.11 0.11 0.00 -1.23 0.00 0.00 61.79 60.77 2kbx h SER 76 Cb 1.00 0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 63.11 2kbx h SER 76 CO 0.04 -0.13 0.61 -0.74 -0.53 0.00 0.00 176.83 176.08 2kbx h HIS 77 N -0.02 1.07 0.00 2.24 6.17 -1.55 -3.46 115.15 119.60 2kbx h HIS 77 Ca 0.17 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.28 2kbx h HIS 77 Cb 0.28 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 29.87 2kbx h HIS 77 CO -0.33 0.46 0.00 0.41 0.71 0.00 0.00 177.93 179.18 2kbx n GLY 78 N -1.38 0.75 3.56 5.26 0.00 -0.08 -4.99 105.19 108.32 2kbx n GLY 78 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.39 1.60 0.25 1.61 4.02 -1.26 -4.84 115.29 114.27 2kbx s HIS 79 Ca 0.00 0.87 -0.11 0.00 1.02 0.00 0.00 55.06 56.84 2kbx s HIS 79 Cb 0.00 -4.02 0.34 0.00 -1.02 0.00 0.00 32.58 27.89 2kbx s HIS 79 CO 0.00 -2.51 1.59 0.00 1.02 0.00 0.00 174.74 174.83 2kbx h ARG 80 N 15.20 -0.01 0.02 1.40 2.47 -1.96 0.40 114.38 131.90 2kbx h ARG 80 Ca -0.28 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.47 2kbx h ARG 80 Cb 1.18 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 2kbx h ARG 80 CO 1.16 -0.01 -0.25 0.38 0.56 0.00 0.00 179.97 181.82 2kbx h ASP 81 N -0.01 -0.73 -0.73 7.04 3.04 -2.00 -0.76 116.42 122.27 2kbx h ASP 81 Ca 0.39 0.10 0.08 0.00 -3.24 0.00 0.00 57.03 54.36 2kbx h ASP 81 Cb 0.61 0.30 -0.05 0.00 -1.04 0.00 0.00 39.33 39.15 2kbx h ASP 81 CO -0.86 -0.32 0.48 -0.29 -2.04 0.00 0.00 179.24 176.21 2kbx h ILE 82 N -0.40 0.97 0.53 4.15 2.10 -1.36 -2.28 117.51 121.22 2kbx h ILE 82 Ca 0.06 -0.23 -0.03 0.00 1.08 0.00 0.00 64.86 65.74 2kbx h ILE 82 Cb 0.47 0.22 0.01 0.00 -1.09 0.00 0.00 36.82 36.43 2kbx h ILE 82 CO -0.21 0.12 -0.25 0.58 -1.08 0.00 0.00 178.15 177.31 2kbx h VAL 83 N 0.68 0.40 -0.59 2.19 2.07 0.06 -2.17 116.25 118.90 2kbx h VAL 83 Ca 0.33 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.67 2kbx h VAL 83 Cb 0.39 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 2kbx h VAL 83 CO -0.11 0.04 0.09 1.56 0.02 0.00 0.00 177.57 179.17 2kbx h GLN 84 N -0.91 0.20 -0.36 1.57 4.20 -0.77 1.83 115.11 120.87 2kbx h GLN 84 Ca -0.07 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 2kbx h GLN 84 Cb 0.62 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2kbx h GLN 84 CO 0.12 0.13 -0.20 1.57 -0.67 0.00 0.00 178.83 179.78 2kbx h LYS 85 N 0.21 0.69 0.00 1.46 5.09 -1.41 0.19 116.57 122.80 2kbx h LYS 85 Ca 0.31 -0.26 -0.00 0.00 0.09 0.00 0.00 60.65 60.79 2kbx h LYS 85 Cb 0.47 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.76 2kbx h LYS 85 CO -0.43 0.85 -0.90 1.25 -2.09 0.00 0.00 179.45 178.13 2kbx h LEU 86 N 0.61 0.00 0.00 7.07 6.46 -0.66 -3.30 115.31 125.49 2kbx h LEU 86 Ca 0.09 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.71 2kbx h LEU 86 Cb 0.68 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 2kbx h LEU 86 CO 0.05 0.01 -0.91 0.25 -0.62 0.00 0.00 178.44 177.22 2kbx h LEU 87 N 0.00 0.00 -0.66 2.25 5.85 0.30 -3.26 115.31 119.79 2kbx h LEU 87 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kbx h LEU 87 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2kbx h LEU 87 CO 0.00 0.61 0.00 1.67 -0.34 0.00 0.00 178.44 180.38 2kbx n GLN 88 N -3.12 1.43 -0.11 1.25 7.27 0.64 -2.81 117.38 121.93 2kbx n GLN 88 Ca -0.03 -0.66 -0.22 0.00 0.07 0.00 0.00 57.00 56.16 2kbx n GLN 88 Cb 0.81 -1.33 -0.10 0.00 2.41 0.00 0.00 30.24 32.02 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 -0.11 0.79 -1.70 3.69 4.02 -1.23 -4.85 117.16 117.77 2kbx n TYR 89 Ca 0.14 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 2kbx n TYR 89 Cb 0.22 -1.05 0.00 0.00 -0.02 0.00 0.00 39.34 38.48 2kbx n TYR 89 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2kbx n LYS 90 N -4.41 0.00 -3.77 -0.72 2.85 -1.26 -5.03 118.16 105.83 2kbx n LYS 90 Ca -0.35 -0.11 -0.27 0.00 -1.05 0.00 0.00 58.31 56.53 2kbx n LYS 90 Cb 0.70 -0.15 0.02 0.00 -0.65 0.00 0.00 35.03 34.95 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kbx n ALA 91 N 0.00 -2.26 0.50 0.58 0.00 -1.12 -4.75 120.51 113.45 2kbx n ALA 91 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2kbx n ALA 91 Cb 0.44 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 -2.87 2.53 0.09 0.00 2.03 -1.26 -3.40 116.55 113.67 2kbx n ASP 92 Ca -0.21 -1.57 -0.06 0.00 0.52 0.00 0.00 54.79 53.47 2kbx n ASP 92 Cb 0.64 -0.46 0.06 0.00 -0.72 0.00 0.00 41.12 40.65 2kbx n ASP 92 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2kbx h ILE 93 N 0.48 1.46 -0.19 5.18 -0.00 -1.96 -2.71 117.51 119.77 2kbx h ILE 93 Ca 0.00 -2.33 -0.10 0.00 -0.00 0.00 0.00 64.86 62.42 2kbx h ILE 93 Cb 0.72 2.25 -0.06 0.00 -0.00 0.00 0.00 36.82 39.74 2kbx h ILE 93 CO 0.00 0.68 0.13 -0.46 -0.00 0.00 0.00 178.15 178.50 2kbx n ASN 94 N -3.75 3.58 -3.58 2.16 0.23 -1.22 -4.50 115.26 108.17 2kbx n ASN 94 Ca -0.03 -2.37 -0.29 0.00 -0.53 0.00 0.00 54.58 51.36 2kbx n ASN 94 Cb 0.71 -0.65 -0.13 0.00 -2.08 0.00 0.00 39.78 37.63 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 -0.65 1.43 0.97 -2.53 0.00 -1.02 -5.12 121.76 114.83 2kbx s ALA 95 Ca 0.11 -2.08 -0.13 0.00 0.00 0.00 0.00 51.96 49.86 2kbx s ALA 95 Cb 0.09 -1.70 0.18 0.00 0.00 0.00 0.00 23.12 21.69 2kbx s ALA 95 CO 0.02 -2.03 1.08 1.33 0.00 0.00 0.00 175.76 176.16 2kbx n VAL 96 N 3.98 0.00 0.00 0.00 0.24 -1.26 -4.93 118.33 116.37 2kbx n VAL 96 Ca 0.09 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 2kbx n VAL 96 Cb 0.37 -1.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 2kbx n VAL 96 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2kbx n ASN 97 N -3.64 0.00 0.00 -1.34 5.03 -1.26 -4.94 115.26 109.11 2kbx n ASN 97 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 2kbx n ASN 97 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 2kbx n ASN 97 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2kbx n GLU 98 N 0.00 0.99 -0.04 3.52 0.28 -1.26 -4.59 120.64 119.54 2kbx n GLU 98 Ca 0.00 -0.32 0.08 0.00 -0.16 0.00 0.00 57.16 56.76 2kbx n GLU 98 Cb 0.00 -0.80 0.09 0.00 1.43 0.00 0.00 31.44 32.16 2kbx n GLU 98 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kbx n HIS 99 N -0.23 0.10 -0.97 -1.84 -0.00 -1.26 -4.95 115.22 106.07 2kbx n HIS 99 Ca 0.00 -0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2kbx n HIS 99 Cb 0.02 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kbx n GLY 100 N 0.93 0.41 3.56 1.57 0.00 -1.26 -4.64 105.19 105.75 2kbx n GLY 100 Ca 0.11 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 2kbx n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbx s ASN 101 N -2.87 6.23 0.66 1.61 6.03 -1.26 -4.82 114.94 120.53 2kbx s ASN 101 Ca 0.00 -1.09 -0.11 0.00 -1.03 0.00 0.00 52.86 50.64 2kbx s ASN 101 Cb 0.00 -2.57 -0.01 0.00 -3.03 0.00 0.00 41.25 35.65 2kbx s ASN 101 CO 0.00 -1.75 1.05 0.68 -2.03 0.00 0.00 177.10 175.05 2kbx s VAL 102 N 5.86 3.98 0.45 3.54 -7.23 -1.26 -4.20 120.40 121.54 2kbx s VAL 102 Ca 0.47 0.59 0.16 0.00 -1.81 0.00 0.00 61.98 61.39 2kbx s VAL 102 Cb -0.03 -3.63 0.34 0.00 0.56 0.00 0.00 36.38 33.62 2kbx s VAL 102 CO -0.03 -0.82 1.99 -0.65 -0.31 0.00 0.00 175.10 175.29 2kbx h PRO 103 N -0.48 0.32 -0.17 4.82 0.11 -1.92 -0.96 132.00 133.72 2kbx h PRO 103 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2kbx h PRO 103 Cb 1.23 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2kbx h PRO 103 CO 0.63 0.21 -0.05 1.25 -0.21 0.00 0.00 178.00 179.83 2kbx h LEU 104 N 0.33 0.34 -0.87 2.35 5.85 -1.91 0.82 115.31 122.22 2kbx h LEU 104 Ca 0.26 -0.37 0.17 0.00 0.84 0.00 0.00 57.88 58.79 2kbx h LEU 104 Cb 0.60 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.43 2kbx h LEU 104 CO -0.06 0.64 0.42 0.45 -0.34 0.00 0.00 178.44 179.54 2kbx h HIS 105 N 0.04 0.72 0.10 1.25 3.86 -1.53 0.19 115.15 119.78 2kbx h HIS 105 Ca 0.04 0.04 -0.24 0.00 -1.16 0.00 0.00 60.37 59.05 2kbx h HIS 105 Cb 0.49 -0.19 0.02 0.00 1.06 0.00 0.00 27.41 28.80 2kbx h HIS 105 CO 0.05 0.09 -1.00 -0.92 0.86 0.00 0.00 177.93 177.02 2kbx h TYR 106 N 0.54 0.82 -0.64 2.45 3.20 -1.23 -2.64 116.97 119.47 2kbx h TYR 106 Ca 0.50 -0.52 0.08 0.00 3.14 0.00 0.00 58.73 61.93 2kbx h TYR 106 Cb 0.81 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 2kbx h TYR 106 CO -0.11 1.36 0.42 0.00 -1.64 0.00 0.00 178.16 178.20 2kbx h ALA 107 N 0.25 1.85 0.01 1.82 0.00 0.19 -0.72 119.26 122.66 2kbx h ALA 107 Ca -0.15 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 2kbx h ALA 107 Cb 1.71 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2kbx h ALA 107 CO 0.19 0.03 -0.96 0.00 0.00 0.00 0.00 179.25 178.51 2kbx h PHE 109 N 0.21 0.00 0.06 0.00 3.57 -0.76 -2.34 116.94 117.68 2kbx h PHE 109 Ca -0.08 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 2kbx h PHE 109 Cb 1.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.34 2kbx h PHE 109 CO 0.06 0.00 -0.03 -1.49 -2.23 0.00 0.00 178.31 174.62 2kbx h TRP 110 N 0.00 -0.07 0.00 0.41 4.06 -1.29 -3.49 115.95 115.56 2kbx h TRP 110 Ca 0.13 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.08 2kbx h TRP 110 Cb 0.56 0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 2kbx h TRP 110 CO 0.00 0.18 0.00 0.41 -3.56 0.00 0.00 178.44 175.47 2kbx n GLY 111 N 1.49 0.97 2.88 1.49 0.00 -0.88 -5.11 105.19 106.04 2kbx n GLY 111 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 0.05 1.44 0.15 1.61 -1.52 -1.23 -4.99 119.66 115.17 2kbx s GLN 112 Ca 0.00 -1.97 -0.16 0.00 -1.95 0.00 0.00 55.36 51.28 2kbx s GLN 112 Cb 0.00 -2.83 0.02 0.00 -0.22 0.00 0.00 33.01 29.98 2kbx s GLN 112 CO 0.00 -1.04 1.81 0.22 -0.25 0.00 0.00 175.29 176.03 2kbx h ASP 113 N 7.20 0.49 -0.22 5.90 3.58 -1.97 -2.41 116.42 128.98 2kbx h ASP 113 Ca -0.06 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.39 2kbx h ASP 113 Cb 0.96 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.84 2kbx h ASP 113 CO 0.55 0.36 -0.35 0.06 -2.88 0.00 0.00 179.24 176.99 2kbx h GLN 114 N 0.56 -0.26 -0.74 0.28 -0.00 -1.99 1.13 115.11 114.10 2kbx h GLN 114 Ca 0.15 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.84 2kbx h GLN 114 Cb -0.05 0.06 -0.04 0.00 -0.00 0.00 0.00 27.48 27.45 2kbx h GLN 114 CO -0.03 -0.17 0.47 -0.39 -0.00 0.00 0.00 178.83 178.71 2kbx h VAL 115 N -0.27 1.14 0.00 1.86 -1.51 -1.97 -1.01 116.25 114.49 2kbx h VAL 115 Ca 0.04 -0.32 -0.03 0.00 -1.23 0.00 0.00 66.70 65.15 2kbx h VAL 115 Cb 0.38 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.65 2kbx h VAL 115 CO -0.35 0.17 -0.17 0.00 -1.23 0.00 0.00 177.57 175.99 2kbx h ALA 116 N 1.29 1.33 0.15 5.19 0.00 -0.78 -2.13 119.26 124.31 2kbx h ALA 116 Ca 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2kbx h ALA 116 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kbx h ALA 116 CO -0.09 0.21 -0.07 1.49 0.00 0.00 0.00 179.25 180.79 2kbx h GLU 117 N 0.00 -0.20 0.00 0.00 4.57 0.26 -2.83 114.58 116.39 2kbx h GLU 117 Ca -0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2kbx h GLU 117 Cb 0.40 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2kbx h GLU 117 CO 0.02 0.25 -0.02 0.38 -1.18 0.00 0.00 179.01 178.46 2kbx h ASP 118 N -0.83 0.00 0.10 1.04 3.04 -1.30 -2.40 116.42 116.07 2kbx h ASP 118 Ca -0.02 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2kbx h ASP 118 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 2kbx h ASP 118 CO 0.03 0.02 -0.05 -0.07 -2.04 0.00 0.00 179.24 177.14 2kbx h LEU 119 N 0.00 -0.11 -2.25 0.15 3.38 -1.32 -2.95 115.31 112.22 2kbx h LEU 119 Ca -0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2kbx h LEU 119 Cb 0.16 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2kbx h LEU 119 CO 0.00 0.45 -0.05 -0.37 0.09 0.00 0.00 178.44 178.56 2kbx h VAL 120 N -0.73 0.38 -0.02 1.22 -1.51 -1.24 0.35 116.25 114.70 2kbx h VAL 120 Ca -0.01 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2kbx h VAL 120 Cb 0.56 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2kbx h VAL 120 CO 0.02 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.41 2kbx n ALA 121 N -2.23 2.57 0.53 5.19 0.00 -0.93 -2.77 120.51 122.87 2kbx n ALA 121 Ca -0.02 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2kbx n ALA 121 Cb 0.17 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 2kbx n ALA 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kbx n ASN 122 N -0.62 0.59 0.00 0.00 3.02 0.12 -4.97 115.26 113.40 2kbx n ASN 122 Ca 0.10 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 2kbx n ASN 122 Cb 0.06 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kbx n GLY 123 N 1.29 1.15 0.16 7.41 0.00 -1.13 -4.99 105.19 109.08 2kbx n GLY 123 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 1.06 -2.75 4.61 0.00 -1.67 -3.49 119.26 117.02 2kbx h ALA 124 Ca 0.00 -0.49 0.18 0.00 0.00 0.00 0.00 54.91 54.60 2kbx h ALA 124 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 2kbx h ALA 124 CO 0.00 0.68 -0.79 1.47 0.00 0.00 0.00 179.25 180.60 2kbx n LEU 125 N -3.90 -0.76 0.02 0.00 -0.00 -1.12 -4.12 117.00 107.13 2kbx n LEU 125 Ca -0.02 1.63 0.13 0.00 -0.00 0.00 0.00 56.01 57.76 2kbx n LEU 125 Cb 0.55 -2.54 0.43 0.00 -0.00 0.00 0.00 43.42 41.86 2kbx n LEU 125 CO 0.42 -1.22 0.73 0.55 -0.00 0.00 0.00 177.39 177.87 2kbx n VAL 126 N -3.60 0.11 -1.31 1.47 3.14 -1.26 -3.65 118.33 113.22 2kbx n VAL 126 Ca -0.05 -0.06 -0.33 0.00 -2.96 0.00 0.00 64.34 60.93 2kbx n VAL 126 Cb 0.42 -0.23 0.07 0.00 -1.06 0.00 0.00 33.84 33.04 2kbx n VAL 126 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2kbx n SER 127 N -1.65 7.58 0.01 6.55 7.64 -1.26 -4.60 113.62 127.89 2kbx n SER 127 Ca 0.06 -3.72 -0.12 0.00 1.01 0.00 0.00 58.87 56.10 2kbx n SER 127 Cb 0.36 -0.99 -0.08 0.00 -1.01 0.00 0.00 64.21 62.49 2kbx n SER 127 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2kbx h ILE 128 N 1.05 1.14 -3.92 0.44 6.09 -1.71 -3.48 117.51 117.11 2kbx h ILE 128 Ca 0.58 -0.40 0.00 0.00 -1.37 0.00 0.00 64.86 63.66 2kbx h ILE 128 Cb 0.78 1.37 0.00 0.00 0.47 0.00 0.00 36.82 39.44 2kbx h ILE 128 CO 1.51 0.11 -0.24 0.00 -3.07 0.00 0.00 178.15 176.45 2kbx n ASN 130 N -0.29 -2.39 0.32 0.00 2.85 -1.26 -4.37 115.26 110.14 2kbx n ASN 130 Ca 0.04 -0.11 0.12 0.00 -0.11 0.00 0.00 54.58 54.52 2kbx n ASN 130 Cb 0.15 -0.94 0.64 0.00 1.24 0.00 0.00 39.78 40.87 2kbx n ASN 130 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 2kbx h LYS 131 N -2.02 0.00 0.00 1.20 2.10 -1.88 1.46 116.57 117.43 2kbx h LYS 131 Ca -0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 2kbx h LYS 131 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2kbx h LYS 131 CO 0.38 0.00 -0.01 0.98 -2.00 0.00 0.00 179.45 178.80 2kbx n TYR 132 N -2.76 0.00 -1.40 0.07 9.36 -1.26 -4.95 117.16 116.22 2kbx n TYR 132 Ca -0.02 -0.71 -0.10 0.00 3.32 0.00 0.00 57.90 60.40 2kbx n TYR 132 Cb 0.48 -0.10 -0.04 0.00 -0.63 0.00 0.00 39.34 39.06 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 -0.92 0.96 3.56 2.98 0.00 0.50 -4.92 105.19 107.35 2kbx n GLY 133 Ca 0.07 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.03 3.59 0.22 1.61 0.41 -1.26 -4.47 118.70 115.78 2kbx s GLU 134 Ca 0.00 -1.17 0.09 0.00 -0.41 0.00 0.00 54.97 53.48 2kbx s GLU 134 Cb 0.00 -5.37 -0.04 0.00 -1.78 0.00 0.00 34.13 26.94 2kbx s GLU 134 CO 0.00 -2.25 -0.00 0.00 -0.49 0.00 0.00 175.26 172.52 2kbx s MET 135 N 4.98 2.35 0.50 1.61 0.23 -1.26 -4.04 119.30 123.66 2kbx s MET 135 Ca 0.47 -1.27 0.30 0.00 -1.03 0.00 0.00 55.69 54.17 2kbx s MET 135 Cb 0.00 -2.26 1.41 0.00 -1.53 0.00 0.00 34.83 32.45 2kbx s MET 135 CO -0.08 0.41 1.81 -1.35 -2.03 0.00 0.00 175.02 173.77 2kbx h PRO 136 N 2.26 0.11 -0.91 3.16 0.11 -1.92 -0.69 132.00 134.13 2kbx h PRO 136 Ca -0.46 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.87 2kbx h PRO 136 Cb 1.23 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 2kbx h PRO 136 CO 0.59 0.08 0.42 0.28 -0.21 0.00 0.00 178.00 179.15 2kbx h VAL 137 N 0.12 0.49 0.00 3.15 2.07 -1.94 1.98 116.25 122.12 2kbx h VAL 137 Ca 0.55 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.86 2kbx h VAL 137 Cb 1.95 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2kbx h VAL 137 CO -0.09 0.08 -0.33 -0.78 0.02 0.00 0.00 177.57 176.46 2kbx h ASP 138 N 0.42 0.00 0.21 0.57 3.58 -1.49 -1.68 116.42 118.04 2kbx h ASP 138 Ca 0.57 -0.87 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2kbx h ASP 138 Cb 1.07 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2kbx h ASP 138 CO -0.52 1.13 0.00 0.29 -2.88 0.00 0.00 179.24 177.26 2kbx n LYS 139 N -4.56 0.01 -0.05 0.28 5.02 -0.84 -1.02 118.16 116.99 2kbx n LYS 139 Ca -0.16 0.38 -0.01 0.00 -2.02 0.00 0.00 58.31 56.50 2kbx n LYS 139 Cb 0.53 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.89 2kbx n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kbx n ALA 140 N -1.48 2.07 1.27 7.82 0.00 0.67 -3.99 120.51 126.86 2kbx n ALA 140 Ca 0.02 -0.93 0.13 0.00 0.00 0.00 0.00 53.44 52.66 2kbx n ALA 140 Cb 0.07 -0.49 0.40 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.57 0.89 -0.12 0.00 3.00 -0.19 -0.42 118.16 118.75 2kbx n LYS 141 Ca -0.19 -0.52 -0.26 0.00 -0.00 0.00 0.00 58.31 57.34 2kbx n LYS 141 Cb 0.89 -1.49 -0.10 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 n ALA 142 N -0.60 1.01 0.30 3.14 0.00 -0.31 -4.59 120.51 119.45 2kbx n ALA 142 Ca 0.13 -0.83 -0.17 0.00 0.00 0.00 0.00 53.44 52.57 2kbx n ALA 142 Cb 0.35 -0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 2kbx n ALA 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kbx h PRO 143 N -1.00 -0.80 0.00 0.00 0.11 -1.75 -3.47 132.00 125.09 2kbx h PRO 143 Ca -0.54 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kbx h PRO 143 Cb 1.47 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.76 2kbx h PRO 143 CO -0.33 -0.53 0.00 1.47 -0.21 0.00 0.00 178.00 178.40 2kbx n LEU 144 N -5.48 0.00 -0.05 2.35 -0.00 -1.26 -5.06 117.00 107.51 2kbx n LEU 144 Ca -0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.74 2kbx n LEU 144 Cb 0.37 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.66 2kbx n LEU 144 CO 0.33 0.00 0.30 0.08 -0.00 0.00 0.00 177.39 178.10 2kbx h ARG 145 N 0.00 0.05 -0.15 1.47 0.11 -1.89 -3.45 114.38 110.52 2kbx h ARG 145 Ca 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.00 2kbx h ARG 145 Cb 0.00 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2kbx h ARG 145 CO 0.00 1.04 0.00 -0.85 0.10 0.00 0.00 179.97 180.26 2kbx n GLU 146 N -4.52 -1.32 0.03 0.08 0.00 0.44 -4.51 120.64 110.84 2kbx n GLU 146 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.86 2kbx n GLU 146 Cb 0.54 -1.86 -0.14 0.00 0.00 0.00 0.00 31.44 29.99 2kbx n GLU 146 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2kbx h LEU 147 N 0.00 0.40 -0.98 -1.84 4.07 -1.87 -2.74 115.31 112.35 2kbx h LEU 147 Ca 0.00 -0.96 -0.00 0.00 0.08 0.00 0.00 57.88 57.00 2kbx h LEU 147 Cb 0.00 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.61 2kbx h LEU 147 CO 0.00 1.33 -0.02 0.17 -1.08 0.00 0.00 178.44 178.84 2kbx h LEU 148 N -0.46 0.00 0.19 1.67 8.10 -1.94 -2.77 115.31 120.10 2kbx h LEU 148 Ca -0.12 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.86 2kbx h LEU 148 Cb 1.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.76 2kbx h LEU 148 CO 0.13 0.02 -0.09 -0.09 -4.11 0.00 0.00 178.44 174.30 2kbx h ARG 149 N 0.00 -0.24 -0.50 0.17 1.12 -1.87 -1.37 114.38 111.69 2kbx h ARG 149 Ca -0.00 0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.82 2kbx h ARG 149 Cb 0.69 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 2kbx h ARG 149 CO 0.00 0.09 0.03 1.05 -3.11 0.00 0.00 179.97 178.03 2kbx h GLU 150 N -0.59 0.81 0.00 0.20 -0.00 -1.44 1.33 114.58 114.88 2kbx h GLU 150 Ca -0.03 -0.20 -0.02 0.00 -0.00 0.00 0.00 59.36 59.11 2kbx h GLU 150 Cb 0.44 -0.10 -0.00 0.00 -0.00 0.00 0.00 28.75 29.08 2kbx h GLU 150 CO 0.04 0.79 -0.12 0.07 -0.00 0.00 0.00 179.01 179.79 2kbx h ARG 151 N 0.76 0.00 0.00 1.06 -0.00 -1.42 -1.03 114.38 113.75 2kbx h ARG 151 Ca 0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.98 2kbx h ARG 151 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.36 2kbx h ARG 151 CO 0.01 0.12 -0.85 0.00 -0.00 0.00 0.00 179.97 179.26 2kbx h ALA 152 N 1.88 0.18 0.00 0.08 0.00 -0.00 -3.13 119.26 118.26 2kbx h ALA 152 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2kbx h ALA 152 Cb 0.24 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kbx h ALA 152 CO 0.02 0.48 0.26 1.49 0.00 0.00 0.00 179.25 181.50 2kbx h GLU 153 N -1.00 0.00 -0.01 0.00 4.57 0.20 0.92 114.58 119.25 2kbx h GLU 153 Ca -0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2kbx h GLU 153 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2kbx h GLU 153 CO -0.14 0.00 -0.38 1.17 -1.18 0.00 0.00 179.01 178.48 2kbx n LYS 154 N -2.29 1.52 0.13 1.92 4.81 -0.41 -4.11 118.16 119.72 2kbx n LYS 154 Ca -0.01 -0.88 0.07 0.00 -0.87 0.00 0.00 58.31 56.62 2kbx n LYS 154 Cb 0.29 -1.34 0.39 0.00 0.02 0.00 0.00 35.03 34.38 2kbx n LYS 154 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 2kbx n MET 155 N -0.08 0.09 -0.47 1.64 1.56 0.32 -4.73 117.12 115.45 2kbx n MET 155 Ca 0.08 0.57 0.00 0.00 -0.27 0.00 0.00 57.70 58.08 2kbx n MET 155 Cb 0.38 -1.91 0.00 0.00 2.15 0.00 0.00 33.22 33.85 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 -1.32 0.98 0.10 -5.12 0.00 -1.26 -4.86 105.19 93.72 2kbx n GLY 156 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2kbx n GLY 156 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kbx n GLN 157 N -2.00 0.69 -0.11 1.61 6.02 -1.26 -4.27 117.38 118.05 2kbx n GLN 157 Ca 0.00 -0.22 -0.19 0.00 -0.01 0.00 0.00 57.00 56.58 2kbx n GLN 157 Cb 0.00 -1.43 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 2kbx n GLN 157 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2kbx n ASN 158 N -1.14 1.92 -3.99 1.08 4.05 -1.26 -4.69 115.26 111.23 2kbx n ASN 158 Ca 0.05 0.38 -0.38 0.00 0.45 0.00 0.00 54.58 55.07 2kbx n ASN 158 Cb 0.34 -0.82 -0.03 0.00 1.23 0.00 0.00 39.78 40.50 2kbx n ASN 158 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kbx n LEU 159 N -4.38 5.16 -4.57 1.20 -0.00 -1.26 -5.01 117.00 108.14 2kbx n LEU 159 Ca -0.33 -5.20 -0.43 0.00 -0.00 0.00 0.00 56.01 50.05 2kbx n LEU 159 Cb 0.67 -1.15 -0.04 0.00 -0.00 0.00 0.00 43.42 42.90 2kbx n LEU 159 CO 0.12 1.66 0.78 0.54 -0.00 0.00 0.00 177.39 180.49 2kbx s ASN 160 N -0.90 6.50 0.76 1.45 2.20 -1.26 -4.89 114.94 118.80 2kbx s ASN 160 Ca 0.32 0.13 -0.15 0.00 -0.94 0.00 0.00 52.86 52.21 2kbx s ASN 160 Cb 0.01 -2.46 0.01 0.00 -2.00 0.00 0.00 41.25 36.81 2kbx s ASN 160 CO -0.01 -1.08 0.83 -2.11 -2.94 0.00 0.00 177.10 171.78 2kbx n ARG 161 N 7.26 0.31 -1.57 3.55 1.85 -1.26 -4.76 116.66 122.05 2kbx n ARG 161 Ca 0.07 0.16 -0.44 0.00 -1.00 0.00 0.00 57.85 56.64 2kbx n ARG 161 Cb 0.49 -2.11 -0.04 0.00 -1.05 0.00 0.00 32.46 29.74 2kbx n ARG 161 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2kbx n ILE 162 N -2.72 0.28 -1.87 8.89 0.13 -1.26 -4.91 119.36 117.89 2kbx n ILE 162 Ca 0.12 -0.45 -0.37 0.00 -1.10 0.00 0.00 62.75 60.95 2kbx n ILE 162 Cb 0.50 -2.40 0.05 0.00 -0.84 0.00 0.00 39.64 36.95 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 2kbx s PRO 163 N 6.52 2.87 -0.76 9.51 0.02 -1.26 -4.76 135.00 147.14 2kbx s PRO 163 Ca 1.03 2.00 -0.24 0.00 0.02 0.00 0.00 61.00 63.81 2kbx s PRO 163 Cb -0.43 -1.98 -0.16 0.00 0.02 0.00 0.00 34.50 31.95 2kbx s PRO 163 CO 0.37 -1.33 2.42 0.98 -0.33 0.00 0.00 177.00 179.11 2kbx n TYR 164 N -1.56 0.97 0.00 6.54 4.19 -1.26 -4.72 117.16 121.32 2kbx n TYR 164 Ca 0.14 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.44 2kbx n TYR 164 Cb 0.48 -2.25 0.00 0.00 0.49 0.00 0.00 39.34 38.06 2kbx n TYR 164 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2kbx n LYS 165 N 8.29 0.00 0.03 2.98 2.85 -1.26 -5.10 118.16 125.95 2kbx n LYS 165 Ca 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 2kbx n LYS 165 Cb 0.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 2kbx n LYS 165 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kbx n ASP 166 N 0.00 -0.49 -0.33 -5.58 2.03 -1.26 -4.97 116.55 105.94 2kbx n ASP 166 Ca 0.00 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2kbx n ASP 166 Cb 0.00 0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 2kbx n ASP 166 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kbx n THR 167 N -2.47 0.00 -3.87 5.18 -2.24 -1.26 -5.04 114.28 104.58 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 0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.15 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 2.71 0.00 4.78 -0.71 -1.26 -4.69 117.98 118.80 2kbx s PHE 168 Ca 0.00 -2.41 0.00 0.00 -1.04 0.00 0.00 56.93 53.48 2kbx s PHE 168 Cb 0.00 -2.31 0.00 0.00 -1.21 0.00 0.00 43.02 39.50 2kbx s PHE 168 CO 0.00 -0.90 0.00 0.91 -1.34 0.00 0.00 175.22 173.89 2kbx n TRP 169 N 4.43 -2.36 0.00 3.49 7.02 -1.26 -4.91 117.44 123.85 2kbx n TRP 169 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2kbx n TRP 169 Cb 0.41 0.49 0.00 0.00 -2.42 0.00 0.00 31.31 29.80 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 -2.49 0.00 -0.67 -0.99 5.02 -1.26 -5.24 118.16 112.53 2kbx n LYS 170 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kbx n LYS 170 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29