#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b s GLN 2 N 0.00 3.98 -0.01 3.17 -1.52 -1.26 -0.69 119.66 123.33 1w2b s GLN 2 Ca 0.00 0.24 -0.01 0.00 -1.95 0.00 0.00 55.36 53.65 1w2b s GLN 2 Cb 0.00 -3.29 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 1w2b s GLN 2 CO 0.00 0.53 0.02 1.41 -0.25 0.00 0.00 175.29 176.99 1w2b s MET 3 N -0.47 0.02 0.42 2.91 -2.45 0.25 -4.90 119.30 115.08 1w2b s MET 3 Ca 0.21 0.03 -0.24 0.00 -1.25 0.00 0.00 55.69 54.44 1w2b s MET 3 Cb -0.15 -0.00 -0.08 0.00 1.25 0.00 0.00 34.83 35.85 1w2b s MET 3 CO 0.09 -0.01 1.12 -1.25 1.05 0.00 0.00 175.02 176.02 1w2b s PRO 4 N 0.06 3.98 0.15 4.11 0.04 -1.26 0.11 135.00 142.19 1w2b s PRO 4 Ca -0.00 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.81 1w2b s PRO 4 Cb -0.01 -2.52 -0.13 0.00 0.04 0.00 0.00 34.50 31.88 1w2b s PRO 4 CO -0.00 -0.34 1.33 -0.09 0.04 0.00 0.00 177.00 177.93 1w2b h ARG 5 N 2.36 0.00 -3.34 4.56 9.65 -1.80 -3.42 114.38 122.39 1w2b h ARG 5 Ca -0.49 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 57.89 1w2b h ARG 5 Cb 1.23 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.41 1w2b h ARG 5 CO 0.62 0.92 -0.76 1.03 2.80 0.00 0.00 179.97 184.57 1w2b s ARG 6 N -2.82 0.44 0.11 0.20 0.52 -1.26 -1.03 118.95 115.11 1w2b s ARG 6 Ca 0.01 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 1w2b s ARG 6 Cb 0.10 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 1w2b s ARG 6 CO 0.81 -0.70 -0.09 -0.59 0.02 0.00 0.00 175.30 174.75 1w2b s PHE 7 N 1.95 1.04 -0.53 -0.53 -0.12 -0.96 -4.91 117.98 113.92 1w2b s PHE 7 Ca 0.01 -0.77 -0.23 0.00 -0.05 0.00 0.00 56.93 55.88 1w2b s PHE 7 Cb -0.17 -0.57 0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1w2b s PHE 7 CO -0.11 -0.03 0.89 -0.80 -0.05 0.00 0.00 175.22 175.11 1w2b s ASN 8 N -2.84 6.34 0.22 1.98 0.01 -1.26 -0.42 114.94 118.97 1w2b s ASN 8 Ca 0.10 -0.38 -0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1w2b s ASN 8 Cb 0.01 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 1w2b s ASN 8 CO -0.02 -1.15 0.17 0.28 -1.51 0.00 0.00 177.10 174.88 1w2b s THR 9 N 3.72 0.00 0.68 1.60 -1.32 -1.14 -4.90 115.64 114.28 1w2b s THR 9 Ca 0.29 -1.97 -0.17 0.00 -1.21 0.00 0.00 61.69 58.63 1w2b s THR 9 Cb -0.13 -2.49 0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1w2b s THR 9 CO 0.19 0.00 1.23 -0.47 -2.21 0.00 0.00 174.62 173.36 1w2b s TYR 10 N -4.03 2.14 -0.09 9.09 5.04 -1.26 -0.85 117.35 127.39 1w2b s TYR 10 Ca 0.38 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.55 1w2b s TYR 10 Cb 0.06 -3.53 0.03 0.00 0.35 0.00 0.00 41.96 38.87 1w2b s TYR 10 CO 0.14 -2.60 -0.00 0.00 -1.34 0.00 0.00 175.55 171.75 1w2b n PRO 12 N 5.11 0.03 -0.08 0.00 -0.04 -1.26 -0.03 135.00 138.73 1w2b n PRO 12 Ca -0.08 0.26 -0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1w2b n PRO 12 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 1w2b n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1w2b n HIS 13 N -1.46 0.00 0.37 0.54 8.25 -1.26 -4.37 115.22 117.28 1w2b n HIS 13 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 1w2b n HIS 13 Cb 0.14 -0.84 -0.11 0.00 1.12 0.00 0.00 29.99 30.30 1w2b n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1w2b n ASN 15 N -1.76 -2.97 -3.44 0.00 2.85 0.96 -5.02 115.26 105.87 1w2b n ASN 15 Ca -0.00 0.04 -0.13 0.00 -0.11 0.00 0.00 54.58 54.38 1w2b n ASN 15 Cb 0.36 -2.00 -0.03 0.00 1.24 0.00 0.00 39.78 39.35 1w2b n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1w2b s GLU 16 N -3.92 1.23 -0.24 1.20 -1.05 -0.71 -4.86 118.70 110.35 1w2b s GLU 16 Ca 0.00 -0.32 -0.28 0.00 -0.15 0.00 0.00 54.97 54.21 1w2b s GLU 16 Cb 0.00 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 1w2b s GLU 16 CO 0.00 -0.51 1.94 -1.01 0.95 0.00 0.00 175.26 176.63 1w2b s HIS 17 N -3.23 1.57 0.07 4.83 3.76 -1.26 -1.86 115.29 119.17 1w2b s HIS 17 Ca -0.01 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1w2b s HIS 17 Cb -0.01 -4.04 -0.04 0.00 1.11 0.00 0.00 32.58 29.60 1w2b s HIS 17 CO -0.08 -3.57 -0.05 -0.65 -0.85 0.00 0.00 174.74 169.54 1w2b s GLN 18 N 5.68 0.69 -0.13 1.40 -0.21 -0.03 -4.84 119.66 122.22 1w2b s GLN 18 Ca 0.87 -1.23 -0.29 0.00 0.02 0.00 0.00 55.36 54.74 1w2b s GLN 18 Cb -0.28 0.01 -0.06 0.00 1.00 0.00 0.00 33.01 33.68 1w2b s GLN 18 CO 0.34 -0.06 2.09 -2.00 -2.12 0.00 0.00 175.29 173.54 1w2b s GLU 19 N -3.69 3.54 -0.15 2.91 2.12 -1.26 -2.87 118.70 119.30 1w2b s GLU 19 Ca 0.07 2.22 -0.05 0.00 0.36 0.00 0.00 54.97 57.57 1w2b s GLU 19 Cb 0.05 -4.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.13 1w2b s GLU 19 CO -0.07 -1.64 0.04 -1.01 -0.54 0.00 0.00 175.26 172.04 1w2b s HIS 20 N 6.73 3.24 -0.02 5.30 3.76 0.44 0.71 115.29 135.45 1w2b s HIS 20 Ca 0.94 0.12 -0.15 0.00 -0.15 0.00 0.00 55.06 55.83 1w2b s HIS 20 Cb -0.36 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.30 1w2b s HIS 20 CO 0.37 0.29 0.40 -2.00 -0.85 0.00 0.00 174.74 172.95 1w2b s GLU 21 N -0.13 3.94 -0.17 1.40 2.12 0.13 -2.25 118.70 123.75 1w2b s GLU 21 Ca 0.06 0.38 -0.06 0.00 0.36 0.00 0.00 54.97 55.71 1w2b s GLU 21 Cb -0.12 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1w2b s GLU 21 CO 0.01 0.64 0.04 0.08 -0.54 0.00 0.00 175.26 175.49 1w2b s VAL 22 N -0.88 4.60 -0.04 3.70 1.01 -0.20 -1.35 120.40 127.23 1w2b s VAL 22 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1w2b s VAL 22 Cb -0.16 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1w2b s VAL 22 CO 0.12 0.48 0.08 -0.70 0.00 0.00 0.00 175.10 175.09 1w2b s GLU 23 N 0.23 0.02 0.21 2.72 2.12 -0.55 -4.89 118.70 118.56 1w2b s GLU 23 Ca 0.03 0.27 -0.31 0.00 0.36 0.00 0.00 54.97 55.32 1w2b s GLU 23 Cb -0.13 -0.21 -0.10 0.00 0.26 0.00 0.00 34.13 33.95 1w2b s GLU 23 CO 0.01 -0.16 1.56 0.15 -0.54 0.00 0.00 175.26 176.28 1w2b s LYS 24 N 1.09 4.20 -0.51 4.30 1.02 -1.26 0.66 119.74 129.24 1w2b s LYS 24 Ca -0.09 2.41 -0.27 0.00 0.02 0.00 0.00 55.97 58.04 1w2b s LYS 24 Cb -0.12 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 1w2b s LYS 24 CO -0.04 -0.59 1.82 0.08 -0.92 0.00 0.00 175.35 175.71 1w2b s VAL 25 N 0.71 3.42 0.29 3.17 1.01 -1.06 -4.86 120.40 123.07 1w2b s VAL 25 Ca 0.67 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 1w2b s VAL 25 Cb -0.45 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1w2b s VAL 25 CO 0.37 -0.72 1.20 -0.13 0.00 0.00 0.00 175.10 175.81 1w2b s ARG 26 N 6.50 4.51 0.67 2.72 0.52 -1.26 -4.98 118.95 127.63 1w2b s ARG 26 Ca 0.71 1.98 -0.15 0.00 -0.52 0.00 0.00 55.73 57.75 1w2b s ARG 26 Cb -0.16 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.17 1w2b s ARG 26 CO 0.26 0.01 1.15 -1.12 0.02 0.00 0.00 175.30 175.62 1w2b s SER 27 N -0.59 4.82 -0.17 0.23 0.01 -1.26 -5.02 113.70 111.72 1w2b s SER 27 Ca 0.47 2.15 -0.06 0.00 1.31 0.00 0.00 55.95 59.83 1w2b s SER 27 Cb -0.35 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.28 1w2b s SER 27 CO 0.45 -1.83 0.01 -0.83 0.41 0.00 0.00 173.24 171.45 1w2b s GLY 28 N -2.30 1.80 0.46 3.44 0.00 -1.26 -5.08 107.32 104.38 1w2b s GLY 28 Ca 0.70 -0.81 -0.23 0.00 0.00 0.00 0.00 44.72 44.38 1w2b s GLY 28 CO 0.41 0.03 1.07 -2.13 0.00 0.00 0.00 173.10 172.49 1w2b n ARG 29 N 3.64 1.42 -3.15 2.90 0.63 -1.26 -4.97 116.66 115.87 1w2b n ARG 29 Ca -0.17 0.51 -0.39 0.00 -0.92 0.00 0.00 57.85 56.88 1w2b n ARG 29 Cb 0.52 -2.16 -0.05 0.00 0.45 0.00 0.00 32.46 31.22 1w2b n ARG 29 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1w2b s GLN 30 N -2.22 4.36 0.19 -0.14 -0.21 -1.26 -4.97 119.66 115.42 1w2b s GLN 30 Ca 0.65 0.78 0.09 0.00 0.02 0.00 0.00 55.36 56.90 1w2b s GLN 30 Cb -0.52 -3.37 0.02 0.00 1.00 0.00 0.00 33.01 30.14 1w2b s GLN 30 CO 0.55 0.29 1.41 1.79 -2.12 0.00 0.00 175.29 177.21 1w2b h THR 31 N 4.29 1.57 -0.41 -0.19 1.35 -2.04 -3.47 112.91 114.01 1w2b h THR 31 Ca -0.44 -2.88 -0.08 0.00 -0.55 0.00 0.00 66.41 62.46 1w2b h THR 31 Cb 1.20 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 70.17 1w2b h THR 31 CO 0.71 0.82 -0.09 0.61 -0.25 0.00 0.00 175.52 177.32 1w2b n GLY 32 N 0.94 0.38 0.00 5.82 0.00 -1.26 -4.92 105.19 106.15 1w2b n GLY 32 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1w2b n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1w2b n MET 33 N -1.92 1.27 -1.24 1.61 2.81 -1.26 -4.79 117.12 113.60 1w2b n MET 33 Ca -0.04 -1.03 -0.29 0.00 -1.81 0.00 0.00 57.70 54.52 1w2b n MET 33 Cb 0.38 -0.96 0.15 0.00 -0.71 0.00 0.00 33.22 32.08 1w2b n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1w2b s LYS 34 N -0.55 0.99 0.54 0.03 3.01 -1.26 -4.85 119.74 117.66 1w2b s LYS 34 Ca 0.00 0.66 0.22 0.00 -1.01 0.00 0.00 55.97 55.84 1w2b s LYS 34 Cb 0.00 -1.79 1.44 0.00 -1.01 0.00 0.00 37.83 36.47 1w2b s LYS 34 CO 0.00 -2.38 2.14 2.35 0.51 0.00 0.00 175.35 177.97 1w2b h TRP 35 N -1.65 0.00 0.00 3.18 7.01 -2.00 -1.58 115.95 120.91 1w2b h TRP 35 Ca -0.51 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.38 1w2b h TRP 35 Cb 1.30 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.35 1w2b h TRP 35 CO 0.37 0.00 -0.51 0.97 -2.79 0.00 0.00 178.44 176.48 1w2b h ILE 36 N 0.00 1.20 -0.16 2.65 6.09 -1.99 -2.33 117.51 122.98 1w2b h ILE 36 Ca 0.05 -1.85 -0.12 0.00 -1.37 0.00 0.00 64.86 61.57 1w2b h ILE 36 Cb 0.23 2.05 0.00 0.00 0.47 0.00 0.00 36.82 39.57 1w2b h ILE 36 CO -0.00 0.50 -0.36 0.44 -3.07 0.00 0.00 178.15 175.66 1w2b h ASP 37 N 0.00 0.59 1.19 2.19 3.32 -1.61 -2.31 116.42 119.79 1w2b h ASP 37 Ca -0.01 -0.57 -0.00 0.00 0.02 0.00 0.00 57.03 56.47 1w2b h ASP 37 Cb 1.00 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1w2b h ASP 37 CO 0.07 1.05 -0.02 0.03 -1.72 0.00 0.00 179.24 178.65 1w2b h ARG 38 N 0.16 0.00 0.04 3.56 3.08 -1.48 -3.05 114.38 116.69 1w2b h ARG 38 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1w2b h ARG 38 Cb 0.97 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1w2b h ARG 38 CO 0.08 0.02 -1.44 0.37 -1.07 0.00 0.00 179.97 177.93 1w2b h GLN 39 N 0.00 0.08 0.51 0.04 4.15 -1.36 -2.97 115.11 115.55 1w2b h GLN 39 Ca -0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1w2b h GLN 39 Cb 0.62 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1w2b h GLN 39 CO 0.00 0.85 -0.24 -0.09 -1.93 0.00 0.00 178.83 177.42 1w2b h ARG 40 N 0.02 -0.66 -0.33 1.69 2.43 -1.30 0.34 114.38 116.57 1w2b h ARG 40 Ca -0.19 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1w2b h ARG 40 Cb 1.93 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.62 1w2b h ARG 40 CO 0.12 -0.39 0.18 0.93 -1.51 0.00 0.00 179.97 179.29 1w2b h GLU 41 N -0.78 0.44 0.60 0.20 5.08 -1.70 -1.69 114.58 116.73 1w2b h GLU 41 Ca -0.07 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1w2b h GLU 41 Cb 0.57 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1w2b h GLU 41 CO 0.11 0.33 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.08 1w2b h ARG 42 N 0.45 -0.77 -0.07 2.33 2.43 -1.30 -3.33 114.38 114.11 1w2b h ARG 42 Ca 0.12 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1w2b h ARG 42 Cb 0.02 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1w2b h ARG 42 CO -0.02 -0.48 0.00 0.09 -1.51 0.00 0.00 179.97 178.05 1w2b n ASN 43 N -5.32 0.61 -4.27 -3.80 4.13 0.12 -4.75 115.26 101.97 1w2b n ASN 43 Ca -0.11 -1.63 -0.38 0.00 1.68 0.00 0.00 54.58 54.14 1w2b n ASN 43 Cb 0.33 -0.05 -0.12 0.00 -1.54 0.00 0.00 39.78 38.41 1w2b n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1w2b s SER 44 N -1.44 5.43 0.00 6.41 0.01 -0.64 -4.82 113.70 118.64 1w2b s SER 44 Ca 0.25 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1w2b s SER 44 Cb 0.12 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.44 1w2b s SER 44 CO 0.19 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1w2b n GLY 45 N 4.84 3.62 3.78 3.44 0.00 -1.26 -4.92 105.19 114.69 1w2b n GLY 45 Ca -0.11 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1w2b n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w2b s ILE 46 N 3.21 4.43 0.00 -0.61 1.01 -1.26 -4.85 121.20 123.14 1w2b s ILE 46 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.26 1w2b s ILE 46 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1w2b s ILE 46 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1w2b n GLY 47 N 1.56 0.60 3.71 6.18 0.00 -1.26 -4.84 105.19 111.15 1w2b n GLY 47 Ca -0.06 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 1w2b n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w2b s ASN 48 N -4.00 5.34 0.00 1.61 2.47 -1.26 -5.00 114.94 114.10 1w2b s ASN 48 Ca 0.00 0.11 0.27 0.00 0.42 0.00 0.00 52.86 53.66 1w2b s ASN 48 Cb 0.00 -1.49 0.87 0.00 -1.45 0.00 0.00 41.25 39.18 1w2b s ASN 48 CO 0.00 0.33 1.64 0.47 -3.72 0.00 0.00 177.10 175.82 1w2b n ASP 49 N 1.70 0.81 0.00 -4.21 8.00 -1.26 -4.87 116.55 116.72 1w2b n ASP 49 Ca -0.16 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1w2b n ASP 49 Cb 0.53 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1w2b n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w2b n GLY 50 N 1.34 1.89 0.08 0.44 0.00 -1.26 -3.57 105.19 104.12 1w2b n GLY 50 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1w2b n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1w2b h LYS 51 N 0.00 0.00 0.00 1.61 2.10 -1.98 -3.25 116.57 115.04 1w2b h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1w2b h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1w2b h LYS 51 CO 0.00 0.75 0.00 1.19 -2.00 0.00 0.00 179.45 179.39 1w2b n PHE 52 N -3.23 0.00 -0.87 0.07 0.99 -1.23 -2.86 117.46 110.33 1w2b n PHE 52 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.50 1w2b n PHE 52 Cb 0.91 0.00 0.16 0.00 -1.00 0.00 0.00 39.48 39.55 1w2b n PHE 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1w2b n SER 53 N -0.81 2.81 -4.96 4.37 7.64 -1.23 -4.89 113.62 116.55 1w2b n SER 53 Ca 0.14 -2.87 -0.22 0.00 1.01 0.00 0.00 58.87 56.92 1w2b n SER 53 Cb 0.06 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 62.88 1w2b n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1w2b s LYS 54 N -2.53 2.97 0.08 1.43 1.02 -1.14 -4.98 119.74 116.61 1w2b s LYS 54 Ca 0.31 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.74 1w2b s LYS 54 Cb 0.26 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1w2b s LYS 54 CO 0.05 -0.32 -0.12 0.14 -0.92 0.00 0.00 175.35 174.19 1w2b s VAL 55 N -2.55 0.99 -0.01 3.17 -7.23 -1.26 -5.10 120.40 108.41 1w2b s VAL 55 Ca 0.50 -1.42 -0.04 0.00 -1.81 0.00 0.00 61.98 59.21 1w2b s VAL 55 Cb -0.10 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 1w2b s VAL 55 CO 0.37 -0.38 0.12 -2.65 -0.31 0.00 0.00 175.10 172.25 1w2b n PRO 56 N 1.00 0.00 0.00 4.82 -0.02 -1.26 -4.94 135.00 134.61 1w2b n PRO 56 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1w2b n PRO 56 Cb 0.56 -0.16 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 1w2b n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w2b n GLY 57 N 0.19 -2.43 1.46 -1.23 0.00 -1.26 -5.07 105.19 96.86 1w2b n GLY 57 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1w2b n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2b n GLY 58 N 0.02 0.62 3.39 -0.02 0.00 -1.26 -5.17 105.19 102.77 1w2b n GLY 58 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1w2b n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w2b s ASP 59 N -2.01 3.36 0.15 1.61 1.01 -1.26 -5.14 116.67 114.39 1w2b s ASP 59 Ca 0.10 -0.60 -0.04 0.00 0.71 0.00 0.00 52.55 52.72 1w2b s ASP 59 Cb -0.00 -0.34 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 1w2b s ASP 59 CO 0.00 0.23 0.38 -0.75 0.21 0.00 0.00 175.17 175.24 1w2b s LYS 60 N -1.55 3.60 0.18 8.23 2.47 -1.26 -4.97 119.74 126.44 1w2b s LYS 60 Ca 0.13 -0.13 0.09 0.00 -1.56 0.00 0.00 55.97 54.50 1w2b s LYS 60 Cb -0.10 -2.84 0.47 0.00 -1.46 0.00 0.00 37.83 33.90 1w2b s LYS 60 CO 0.04 0.45 1.17 -0.35 0.16 0.00 0.00 175.35 176.82 1w2b n PRO 61 N -0.03 0.06 -3.56 4.03 -0.04 -1.26 -4.63 135.00 129.57 1w2b n PRO 61 Ca -0.03 0.49 -0.16 0.00 -0.04 0.00 0.00 63.50 63.76 1w2b n PRO 61 Cb 0.52 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1w2b n PRO 61 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1w2b s THR 62 N -3.10 0.00 -0.11 0.52 2.01 -1.26 -5.02 115.64 108.69 1w2b s THR 62 Ca -0.01 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.94 1w2b s THR 62 Cb 0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1w2b s THR 62 CO 0.08 0.00 0.08 -0.54 -0.69 0.00 0.00 174.62 173.55 1w2b s LYS 63 N -0.69 3.27 0.70 4.92 -0.14 -1.26 -4.93 119.74 121.61 1w2b s LYS 63 Ca -0.07 -0.26 -0.12 0.00 -1.36 0.00 0.00 55.97 54.17 1w2b s LYS 63 Cb -0.02 -3.02 0.18 0.00 -1.68 0.00 0.00 37.83 33.29 1w2b s LYS 63 CO 0.06 0.72 0.56 1.63 -0.76 0.00 0.00 175.35 177.56 1w2b n LYS 64 N 2.13 -2.53 -3.34 1.68 5.02 -1.26 -0.97 118.16 118.90 1w2b n LYS 64 Ca -0.19 -0.91 -0.38 0.00 -2.02 0.00 0.00 58.31 54.81 1w2b n LYS 64 Cb 0.54 -0.92 -0.06 0.00 -0.02 0.00 0.00 35.03 34.57 1w2b n LYS 64 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1w2b s THR 65 N -1.95 5.19 -0.50 -0.18 2.01 0.76 -4.44 115.64 116.52 1w2b s THR 65 Ca 0.38 0.87 0.04 0.00 0.31 0.00 0.00 61.69 63.29 1w2b s THR 65 Cb -0.04 -3.79 0.13 0.00 0.01 0.00 0.00 72.50 68.81 1w2b s THR 65 CO 0.30 0.29 0.24 -0.62 -0.69 0.00 0.00 174.62 174.14 1w2b s ASP 66 N 0.78 4.36 0.40 3.53 2.15 -1.26 -3.72 116.67 122.90 1w2b s ASP 66 Ca 0.23 -2.94 0.07 0.00 0.43 0.00 0.00 52.55 50.35 1w2b s ASP 66 Cb -0.15 -1.64 -0.08 0.00 -0.30 0.00 0.00 42.92 40.76 1w2b s ASP 66 CO 0.09 -0.24 0.01 -0.76 -0.17 0.00 0.00 175.17 174.10 1w2b s LEU 67 N -0.18 2.89 -0.15 -1.34 1.43 -1.26 -2.58 118.68 117.49 1w2b s LEU 67 Ca 0.16 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1w2b s LEU 67 Cb -0.25 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.02 1w2b s LEU 67 CO -0.01 -0.43 -0.12 -0.54 0.23 0.00 0.00 176.35 175.49 1w2b s LYS 68 N -3.72 2.06 -0.49 1.70 1.02 0.21 -4.68 119.74 115.85 1w2b s LYS 68 Ca 0.35 -0.52 -0.15 0.00 0.02 0.00 0.00 55.97 55.67 1w2b s LYS 68 Cb 0.08 -2.03 0.09 0.00 -0.52 0.00 0.00 37.83 35.46 1w2b s LYS 68 CO 0.18 -0.28 0.41 0.71 -0.92 0.00 0.00 175.35 175.46 1w2b s TYR 69 N 1.53 3.26 -0.20 3.18 1.51 -0.95 -1.49 117.35 124.19 1w2b s TYR 69 Ca 0.04 -1.10 -0.07 0.00 -1.01 0.00 0.00 57.07 54.93 1w2b s TYR 69 Cb -0.13 -3.33 -0.04 0.00 -0.11 0.00 0.00 41.96 38.35 1w2b s TYR 69 CO -0.10 -0.87 0.06 1.03 -1.11 0.00 0.00 175.55 174.56 1w2b s ARG 70 N 1.61 3.85 0.32 -0.62 0.52 -0.46 -0.71 118.95 123.46 1w2b s ARG 70 Ca 0.04 -0.40 -0.28 0.00 -0.52 0.00 0.00 55.73 54.57 1w2b s ARG 70 Cb -0.26 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 31.89 1w2b s ARG 70 CO 0.05 0.12 1.09 0.00 0.02 0.00 0.00 175.30 176.58 1w2b n GLY 72 N 0.90 -0.76 0.73 0.00 0.00 0.22 -2.72 105.19 103.56 1w2b n GLY 72 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1w2b n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1w2b n GLU 73 N -0.57 0.00 0.12 1.61 2.13 -1.26 -4.87 120.64 117.79 1w2b n GLU 73 Ca 0.03 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.61 1w2b n GLU 73 Cb 0.01 -0.47 -0.15 0.00 0.27 0.00 0.00 31.44 31.11 1w2b n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1w2b n GLY 75 N 1.59 0.76 3.81 0.00 0.00 -1.10 -5.05 105.19 105.20 1w2b n GLY 75 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1w2b n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w2b s LYS 76 N -0.55 3.88 0.18 1.61 1.02 -1.26 -4.81 119.74 119.80 1w2b s LYS 76 Ca 0.00 0.13 0.07 0.00 0.02 0.00 0.00 55.97 56.19 1w2b s LYS 76 Cb 0.00 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1w2b s LYS 76 CO 0.00 0.57 0.02 0.00 -0.92 0.00 0.00 175.35 175.02 1w2b s ALA 77 N -0.56 3.25 0.14 5.17 0.00 -1.26 -2.15 121.76 126.35 1w2b s ALA 77 Ca 0.18 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1w2b s ALA 77 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1w2b s ALA 77 CO 0.07 0.47 -0.12 -3.38 0.00 0.00 0.00 175.76 172.81 1w2b s HIS 78 N -1.76 1.34 -0.20 0.00 -3.43 0.11 -4.94 115.29 106.41 1w2b s HIS 78 Ca 0.28 -0.66 -0.06 0.00 -0.80 0.00 0.00 55.06 53.83 1w2b s HIS 78 Cb -0.09 -0.68 -0.03 0.00 -1.43 0.00 0.00 32.58 30.35 1w2b s HIS 78 CO 0.19 0.13 0.02 -0.51 -2.00 0.00 0.00 174.74 172.57 1w2b s LEU 79 N -2.87 3.39 0.34 5.38 1.43 -1.26 -2.25 118.68 122.85 1w2b s LEU 79 Ca 0.14 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1w2b s LEU 79 Cb -0.01 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1w2b s LEU 79 CO 0.02 0.08 0.10 -0.13 0.23 0.00 0.00 176.35 176.66 1w2b s ARG 80 N 0.90 2.28 0.31 1.70 0.52 -1.26 -5.09 118.95 118.31 1w2b s ARG 80 Ca 0.02 -1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 53.32 1w2b s ARG 80 Cb -0.14 -2.10 -0.12 0.00 0.52 0.00 0.00 34.95 33.12 1w2b s ARG 80 CO 0.02 0.11 1.56 0.39 0.02 0.00 0.00 175.30 177.41 1w2b n GLU 81 N -1.09 2.66 -3.32 3.54 1.02 -1.26 -4.86 120.64 117.33 1w2b n GLU 81 Ca -0.03 0.94 -0.27 0.00 -0.02 0.00 0.00 57.16 57.78 1w2b n GLU 81 Cb 0.62 -2.71 -0.02 0.00 -0.02 0.00 0.00 31.44 29.30 1w2b n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1w2b s GLY 82 N 0.36 1.69 0.01 0.62 0.00 -1.24 -4.91 107.32 103.84 1w2b s GLY 82 Ca 0.62 -0.66 0.05 0.00 0.00 0.00 0.00 44.72 44.72 1w2b s GLY 82 CO 0.52 -0.57 -0.14 0.66 0.00 0.00 0.00 173.10 173.56 1w2b s TRP 83 N -2.18 1.27 -0.84 1.90 -2.14 -1.26 -4.49 118.94 111.20 1w2b s TRP 83 Ca 0.43 -0.29 -0.21 0.00 2.66 0.00 0.00 56.10 58.69 1w2b s TRP 83 Cb -0.10 -0.79 -0.21 0.00 -3.10 0.00 0.00 33.47 29.27 1w2b s TRP 83 CO 0.33 0.01 2.35 0.54 -2.66 0.00 0.00 176.95 177.52 1w2b n ARG 84 N 2.32 0.38 -3.88 3.25 1.74 -1.26 -0.17 116.66 119.03 1w2b n ARG 84 Ca -0.16 -0.41 -0.35 0.00 -0.77 0.00 0.00 57.85 56.16 1w2b n ARG 84 Cb 0.55 -2.60 -0.14 0.00 -1.02 0.00 0.00 32.46 29.25 1w2b n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w2b s ALA 85 N 9.16 2.84 -0.02 7.54 0.00 -0.14 -4.92 121.76 136.22 1w2b s ALA 85 Ca 1.10 -1.36 0.31 0.00 0.00 0.00 0.00 51.96 52.01 1w2b s ALA 85 Cb -0.46 -1.83 1.37 0.00 0.00 0.00 0.00 23.12 22.20 1w2b s ALA 85 CO 0.30 -0.72 1.93 0.78 0.00 0.00 0.00 175.76 178.05 1w2b h GLY 86 N 8.11 0.00 -4.06 0.00 0.00 -1.91 -3.37 103.07 101.84 1w2b h GLY 86 Ca -0.35 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.10 1w2b h GLY 86 CO 0.59 0.00 0.59 -1.60 0.00 0.00 0.00 176.54 176.12 1w2b s ARG 87 N -3.62 0.59 -0.19 4.80 3.52 -1.26 -4.97 118.95 117.83 1w2b s ARG 87 Ca 0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.54 1w2b s ARG 87 Cb 0.09 0.28 0.10 0.00 -1.56 0.00 0.00 34.95 33.86 1w2b s ARG 87 CO 0.46 -0.22 0.32 -1.17 -0.81 0.00 0.00 175.30 173.88 1w2b s LEU 88 N -1.65 -0.44 -0.11 -0.88 2.96 -1.25 0.16 118.68 117.47 1w2b s LEU 88 Ca 0.02 0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1w2b s LEU 88 Cb -0.01 0.90 -0.00 0.00 0.50 0.00 0.00 46.19 47.58 1w2b s LEU 88 CO -0.03 -0.27 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.91 1w2b s GLU 89 N 2.48 3.12 -0.15 1.98 2.02 0.14 -4.95 118.70 123.34 1w2b s GLU 89 Ca 0.05 -0.83 -0.26 0.00 0.02 0.00 0.00 54.97 53.95 1w2b s GLU 89 Cb -0.14 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 1w2b s GLU 89 CO -0.12 0.16 0.84 -0.06 0.02 0.00 0.00 175.26 176.10 1w2b s PHE 90 N 0.41 3.45 -0.79 1.61 0.40 -1.22 0.85 117.98 122.70 1w2b s PHE 90 Ca -0.16 1.31 -0.26 0.00 -0.60 0.00 0.00 56.93 57.22 1w2b s PHE 90 Cb -0.17 -3.02 0.03 0.00 0.51 0.00 0.00 43.02 40.37 1w2b s PHE 90 CO 0.07 -0.20 1.36 -0.65 0.70 0.00 0.00 175.22 176.50 1w2b s GLN 91 N 1.96 3.22 0.00 0.44 -0.21 0.30 -4.83 119.66 120.54 1w2b s GLN 91 Ca 0.40 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1w2b s GLN 91 Cb -0.17 -4.42 0.00 0.00 1.00 0.00 0.00 33.01 29.42 1w2b s GLN 91 CO 0.14 -2.21 0.00 0.39 -2.12 0.00 0.00 175.29 171.49