#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s GLN 2 N 0.00 3.78 -0.06 3.17 -1.52 -1.26 -1.89 119.66 121.88 3i56 s GLN 2 Ca 0.00 0.22 -0.03 0.00 -1.95 0.00 0.00 55.36 53.60 3i56 s GLN 2 Cb 0.00 -3.04 0.04 0.00 -0.22 0.00 0.00 33.01 29.79 3i56 s GLN 2 CO 0.00 0.59 0.14 1.41 -0.25 0.00 0.00 175.29 177.17 3i56 s MET 3 N -1.75 0.09 0.33 2.91 -2.45 0.24 -4.94 119.30 113.73 3i56 s MET 3 Ca 0.31 0.35 -0.29 0.00 -1.25 0.00 0.00 55.69 54.81 3i56 s MET 3 Cb -0.14 -0.16 -0.10 0.00 1.25 0.00 0.00 34.83 35.67 3i56 s MET 3 CO 0.17 -0.15 1.39 -1.25 1.05 0.00 0.00 175.02 176.23 3i56 s PRO 4 N 1.08 4.26 0.15 4.11 0.04 -1.26 -1.36 135.00 142.02 3i56 s PRO 4 Ca -0.08 2.34 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 3i56 s PRO 4 Cb -0.11 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.42 3i56 s PRO 4 CO -0.05 -0.34 1.67 -0.09 0.04 0.00 0.00 177.00 178.23 3i56 h ARG 5 N 3.65 0.80 -5.59 4.56 9.65 -1.77 -3.44 114.38 122.24 3i56 h ARG 5 Ca -0.49 -0.18 -0.54 0.00 -1.10 0.00 0.00 59.98 57.68 3i56 h ARG 5 Cb 1.23 -0.11 -0.29 0.00 -1.39 0.00 0.00 29.97 29.40 3i56 h ARG 5 CO 0.68 0.75 -0.83 1.03 2.80 0.00 0.00 179.97 184.40 3i56 s ARG 6 N -5.36 1.38 0.12 0.20 0.52 -1.26 -0.83 118.95 113.72 3i56 s ARG 6 Ca -0.13 -0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 54.23 3i56 s ARG 6 Cb 0.12 -1.33 0.07 0.00 0.52 0.00 0.00 34.95 34.33 3i56 s ARG 6 CO 0.79 0.36 0.72 -0.59 0.02 0.00 0.00 175.30 176.60 3i56 s PHE 7 N -0.38 -0.42 -0.02 -0.53 -0.12 -0.71 -4.99 117.98 110.80 3i56 s PHE 7 Ca 0.06 0.20 -0.23 0.00 -0.05 0.00 0.00 56.93 56.91 3i56 s PHE 7 Cb -0.07 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 3i56 s PHE 7 CO -0.01 -0.79 0.70 -0.80 -0.05 0.00 0.00 175.22 174.27 3i56 s ASN 8 N -2.70 7.05 0.20 1.98 0.01 -1.26 -0.31 114.94 119.91 3i56 s ASN 8 Ca 0.04 1.26 -0.24 0.00 -0.71 0.00 0.00 52.86 53.22 3i56 s ASN 8 Cb -0.02 -2.42 0.05 0.00 0.41 0.00 0.00 41.25 39.27 3i56 s ASN 8 CO -0.09 -0.04 0.88 0.28 -1.51 0.00 0.00 177.10 176.63 3i56 s THR 9 N 0.37 0.00 0.20 1.60 -1.32 -0.61 -4.94 115.64 110.95 3i56 s THR 9 Ca 0.37 -0.78 -0.30 0.00 -1.21 0.00 0.00 61.69 59.77 3i56 s THR 9 Cb -0.19 -2.02 -0.09 0.00 -1.51 0.00 0.00 72.50 68.69 3i56 s THR 9 CO 0.19 0.00 1.40 -0.47 -2.21 0.00 0.00 174.62 173.53 3i56 s TYR 10 N -3.47 3.14 -0.34 9.09 5.04 -1.26 -1.54 117.35 128.01 3i56 s TYR 10 Ca 0.12 1.04 -0.08 0.00 -2.44 0.00 0.00 57.07 55.71 3i56 s TYR 10 Cb -0.03 -3.73 0.03 0.00 0.35 0.00 0.00 41.96 38.57 3i56 s TYR 10 CO 0.04 -2.43 0.13 0.00 -1.34 0.00 0.00 175.55 171.95 3i56 n PRO 12 N 4.88 0.05 -0.08 0.00 -0.04 -1.26 -1.47 135.00 137.08 3i56 n PRO 12 Ca -0.13 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 3i56 n PRO 12 Cb 0.46 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 3i56 n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i56 h HIS 13 N 0.00 0.00 0.00 0.54 3.86 -1.94 -3.38 115.15 114.22 3i56 h HIS 13 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3i56 h HIS 13 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3i56 h HIS 13 CO 0.00 0.75 0.00 0.00 0.86 0.00 0.00 177.93 179.54 3i56 n ASN 15 N -2.12 -5.06 -3.71 0.00 2.85 -0.54 -4.97 115.26 101.70 3i56 n ASN 15 Ca 0.05 0.29 -0.11 0.00 -0.11 0.00 0.00 54.58 54.70 3i56 n ASN 15 Cb 0.35 -4.10 -0.06 0.00 1.24 0.00 0.00 39.78 37.21 3i56 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3i56 s GLU 16 N -3.88 0.92 0.23 1.20 -1.05 -1.24 -4.99 118.70 109.89 3i56 s GLU 16 Ca 0.00 -0.59 -0.30 0.00 -0.15 0.00 0.00 54.97 53.93 3i56 s GLU 16 Cb 0.00 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 3i56 s GLU 16 CO 0.00 -0.32 1.31 -1.01 0.95 0.00 0.00 175.26 176.19 3i56 s HIS 17 N -3.07 3.22 0.19 4.83 3.76 -1.26 -2.83 115.29 120.13 3i56 s HIS 17 Ca -0.01 1.25 -0.07 0.00 -0.15 0.00 0.00 55.06 56.08 3i56 s HIS 17 Cb 0.01 -3.62 -0.02 0.00 1.11 0.00 0.00 32.58 30.06 3i56 s HIS 17 CO -0.07 -1.89 0.26 -1.14 -0.85 0.00 0.00 174.74 171.05 3i56 s GLN 18 N -0.46 1.23 -0.54 1.40 2.00 -0.59 -4.94 119.66 117.76 3i56 s GLN 18 Ca 0.55 -1.35 -0.27 0.00 -2.00 0.00 0.00 55.36 52.30 3i56 s GLN 18 Cb -0.37 0.35 0.03 0.00 0.80 0.00 0.00 33.01 33.82 3i56 s GLN 18 CO 0.41 -0.44 1.06 -2.00 -0.50 0.00 0.00 175.29 173.82 3i56 s GLU 19 N -4.04 3.48 0.13 1.67 2.12 -1.26 -1.57 118.70 119.22 3i56 s GLU 19 Ca 0.25 0.09 -0.07 0.00 0.36 0.00 0.00 54.97 55.61 3i56 s GLU 19 Cb 0.04 -4.00 -0.06 0.00 0.26 0.00 0.00 34.13 30.37 3i56 s GLU 19 CO 0.06 -1.52 0.41 -1.01 -0.54 0.00 0.00 175.26 172.65 3i56 s HIS 20 N 4.39 3.50 -0.08 5.30 3.76 0.57 -1.93 115.29 130.80 3i56 s HIS 20 Ca 0.38 0.67 -0.00 0.00 -0.15 0.00 0.00 55.06 55.96 3i56 s HIS 20 Cb -0.09 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 3i56 s HIS 20 CO 0.24 0.44 -0.04 -2.00 -0.85 0.00 0.00 174.74 172.52 3i56 s GLU 21 N -2.45 2.85 -0.11 1.40 2.12 0.12 -1.75 118.70 120.88 3i56 s GLU 21 Ca 0.39 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 55.21 3i56 s GLU 21 Cb -0.12 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.57 3i56 s GLU 21 CO 0.22 0.66 -0.06 0.08 -0.54 0.00 0.00 175.26 175.62 3i56 s VAL 22 N -0.80 3.73 0.01 3.70 1.01 -0.01 -0.39 120.40 127.64 3i56 s VAL 22 Ca 0.12 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3i56 s VAL 22 Cb -0.11 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3i56 s VAL 22 CO 0.02 0.55 -0.02 -0.70 0.00 0.00 0.00 175.10 174.95 3i56 s GLU 23 N -0.24 0.17 0.02 2.72 2.12 -0.89 -4.91 118.70 117.69 3i56 s GLU 23 Ca 0.03 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.81 3i56 s GLU 23 Cb -0.13 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 3i56 s GLU 23 CO 0.03 -0.00 1.04 0.15 -0.54 0.00 0.00 175.26 175.93 3i56 s LYS 24 N -0.55 4.53 -0.24 4.30 1.02 -1.26 -0.57 119.74 126.97 3i56 s LYS 24 Ca -0.05 1.52 -0.28 0.00 0.02 0.00 0.00 55.97 57.17 3i56 s LYS 24 Cb -0.04 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 3i56 s LYS 24 CO -0.00 -0.09 2.05 0.08 -0.92 0.00 0.00 175.35 176.47 3i56 s VAL 25 N 0.96 3.18 -0.07 3.17 1.01 -0.66 -4.92 120.40 123.08 3i56 s VAL 25 Ca 0.53 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.43 3i56 s VAL 25 Cb -0.23 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3i56 s VAL 25 CO 0.28 -0.14 0.90 -0.13 0.00 0.00 0.00 175.10 176.01 3i56 s ARG 26 N 5.98 4.45 0.25 2.72 1.81 -1.26 -5.00 118.95 127.89 3i56 s ARG 26 Ca 0.92 1.23 -0.31 0.00 -1.72 0.00 0.00 55.73 55.85 3i56 s ARG 26 Cb -0.30 -3.50 -0.11 0.00 -0.45 0.00 0.00 34.95 30.60 3i56 s ARG 26 CO 0.35 -0.14 1.59 -1.12 -0.68 0.00 0.00 175.30 175.30 3i56 s SER 27 N 1.01 6.46 0.36 0.23 0.01 -1.26 -5.00 113.70 115.51 3i56 s SER 27 Ca 0.46 2.82 -0.15 0.00 1.31 0.00 0.00 55.95 60.39 3i56 s SER 27 Cb -0.19 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.34 3i56 s SER 27 CO 0.21 -0.87 0.78 -0.83 0.41 0.00 0.00 173.24 172.93 3i56 s GLY 28 N 0.72 2.26 0.36 3.44 0.00 -1.26 -5.05 107.32 107.78 3i56 s GLY 28 Ca 0.66 0.04 -0.25 0.00 0.00 0.00 0.00 44.72 45.17 3i56 s GLY 28 CO 0.41 0.26 0.99 -1.60 0.00 0.00 0.00 173.10 173.15 3i56 s ARG 29 N -3.21 4.40 0.35 2.90 3.52 -1.26 -5.05 118.95 120.60 3i56 s ARG 29 Ca 0.55 1.38 -0.19 0.00 -0.13 0.00 0.00 55.73 57.33 3i56 s ARG 29 Cb -0.10 -2.64 -0.10 0.00 -1.56 0.00 0.00 34.95 30.55 3i56 s ARG 29 CO 0.20 0.09 0.84 -0.65 -0.81 0.00 0.00 175.30 174.98 3i56 s GLN 30 N -2.33 4.21 -0.05 5.12 -0.21 -1.26 -5.00 119.66 120.13 3i56 s GLN 30 Ca 0.54 0.96 0.06 0.00 0.02 0.00 0.00 55.36 56.94 3i56 s GLN 30 Cb -0.19 -2.46 -0.24 0.00 1.00 0.00 0.00 33.01 31.12 3i56 s GLN 30 CO 0.24 0.14 0.65 1.79 -2.12 0.00 0.00 175.29 175.99 3i56 h THR 31 N 2.15 0.87 -0.01 -0.19 1.35 -2.03 -3.48 112.91 111.57 3i56 h THR 31 Ca -0.48 -2.67 -0.00 0.00 -0.55 0.00 0.00 66.41 62.71 3i56 h THR 31 Cb 1.18 2.49 -0.00 0.00 -1.73 0.00 0.00 68.15 70.09 3i56 h THR 31 CO 0.64 0.64 -0.00 0.61 -0.25 0.00 0.00 175.52 177.15 3i56 n GLY 32 N 1.66 0.42 0.17 5.82 0.00 -1.26 -4.91 105.19 107.08 3i56 n GLY 32 Ca -0.19 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 44.95 3i56 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i56 n MET 33 N -2.99 1.22 -1.26 1.61 2.81 -1.26 -4.79 117.12 112.47 3i56 n MET 33 Ca -0.00 -1.19 -0.29 0.00 -1.81 0.00 0.00 57.70 54.41 3i56 n MET 33 Cb 0.01 -1.07 0.20 0.00 -0.71 0.00 0.00 33.22 31.64 3i56 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3i56 s LYS 34 N -0.64 -0.20 0.17 0.03 3.01 -1.26 -4.88 119.74 115.96 3i56 s LYS 34 Ca 0.06 0.12 -0.10 0.00 -1.01 0.00 0.00 55.97 55.03 3i56 s LYS 34 Cb 0.03 -1.70 0.04 0.00 -1.01 0.00 0.00 37.83 35.19 3i56 s LYS 34 CO 0.05 -3.07 1.61 2.35 0.51 0.00 0.00 175.35 176.79 3i56 h TRP 35 N -2.12 1.10 -0.20 3.18 7.01 -1.99 -2.92 115.95 120.01 3i56 h TRP 35 Ca -0.49 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.29 3i56 h TRP 35 Cb 1.31 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 3i56 h TRP 35 CO -0.93 1.01 0.06 0.97 -2.79 0.00 0.00 178.44 176.76 3i56 h ILE 36 N 0.88 1.10 0.00 2.65 6.09 -1.99 -0.95 117.51 125.29 3i56 h ILE 36 Ca 0.15 -0.33 -0.14 0.00 -1.37 0.00 0.00 64.86 63.17 3i56 h ILE 36 Cb 0.60 0.89 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 3i56 h ILE 36 CO 0.04 0.12 -0.67 0.44 -3.07 0.00 0.00 178.15 175.00 3i56 h ASP 37 N 0.28 0.00 0.94 2.19 3.32 -1.85 -1.91 116.42 119.38 3i56 h ASP 37 Ca 0.07 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.91 3i56 h ASP 37 Cb 0.10 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3i56 h ASP 37 CO -0.00 0.67 -1.00 0.03 -1.72 0.00 0.00 179.24 177.22 3i56 h ARG 38 N 0.00 0.03 -0.01 3.56 3.08 -1.21 -3.05 114.38 116.78 3i56 h ARG 38 Ca -0.01 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 3i56 h ARG 38 Cb 1.19 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 3i56 h ARG 38 CO 0.09 1.00 -0.77 0.37 -1.07 0.00 0.00 179.97 179.59 3i56 h GLN 39 N 0.01 0.08 -0.10 0.04 4.15 -0.98 -1.51 115.11 116.81 3i56 h GLN 39 Ca -0.02 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3i56 h GLN 39 Cb 1.75 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.45 3i56 h GLN 39 CO 0.13 0.81 0.02 -0.09 -1.93 0.00 0.00 178.83 177.77 3i56 h ARG 40 N 0.05 0.16 -0.39 1.69 2.43 -1.36 0.11 114.38 117.07 3i56 h ARG 40 Ca -0.02 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3i56 h ARG 40 Cb 1.35 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 3i56 h ARG 40 CO 0.11 0.34 -0.21 0.93 -1.51 0.00 0.00 179.97 179.62 3i56 h GLU 41 N -0.05 0.77 0.11 0.20 5.08 -1.52 -3.02 114.58 116.15 3i56 h GLU 41 Ca 0.03 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3i56 h GLU 41 Cb 0.26 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3i56 h GLU 41 CO 0.00 0.92 -0.05 0.00 -1.00 0.00 0.00 179.01 178.88 3i56 h ARG 42 N 0.68 -0.14 0.00 2.33 3.08 -1.06 -3.33 114.38 115.93 3i56 h ARG 42 Ca 0.10 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3i56 h ARG 42 Cb 0.72 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3i56 h ARG 42 CO 0.06 -0.10 0.00 0.09 -1.07 0.00 0.00 179.97 178.95 3i56 n ASN 43 N -2.66 0.00 -4.56 7.04 4.13 0.38 -4.68 115.26 114.91 3i56 n ASN 43 Ca -0.02 0.18 -0.41 0.00 1.68 0.00 0.00 54.58 56.01 3i56 n ASN 43 Cb 0.06 -0.25 -0.08 0.00 -1.54 0.00 0.00 39.78 37.97 3i56 n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3i56 s SER 44 N -2.50 6.28 0.00 6.41 0.01 -1.14 -4.93 113.70 117.83 3i56 s SER 44 Ca 0.04 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.23 3i56 s SER 44 Cb 0.03 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 64.01 3i56 s SER 44 CO 0.06 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.89 3i56 n GLY 45 N 4.83 5.43 3.74 3.44 0.00 -1.26 -4.99 105.19 116.37 3i56 n GLY 45 Ca -0.06 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 3i56 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i56 s ILE 46 N 1.70 2.68 0.00 -0.61 1.01 -1.26 -4.76 121.20 119.96 3i56 s ILE 46 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3i56 s ILE 46 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.12 3i56 s ILE 46 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3i56 n GLY 47 N 2.55 -0.64 3.77 6.18 0.00 -1.26 -4.87 105.19 110.91 3i56 n GLY 47 Ca 0.08 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 3i56 n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i56 s ASN 48 N -4.00 6.69 -0.10 1.61 2.47 -1.26 -4.95 114.94 115.39 3i56 s ASN 48 Ca 0.00 2.75 0.18 0.00 0.42 0.00 0.00 52.86 56.21 3i56 s ASN 48 Cb 0.00 -2.65 0.66 0.00 -1.45 0.00 0.00 41.25 37.81 3i56 s ASN 48 CO 0.00 -0.61 1.57 0.47 -3.72 0.00 0.00 177.10 174.81 3i56 n ASP 49 N 0.91 4.46 0.00 -4.21 8.00 -1.26 -4.83 116.55 119.62 3i56 n ASP 49 Ca 0.01 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.08 3i56 n ASP 49 Cb 0.41 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3i56 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i56 n GLY 50 N 0.93 2.46 0.19 0.44 0.00 -1.26 -2.84 105.19 105.12 3i56 n GLY 50 Ca 0.24 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.27 3i56 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i56 h LYS 51 N 0.00 0.11 0.00 1.61 2.10 -1.99 -2.45 116.57 115.95 3i56 h LYS 51 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3i56 h LYS 51 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 3i56 h LYS 51 CO 0.00 0.46 0.00 1.19 -2.00 0.00 0.00 179.45 179.10 3i56 n PHE 52 N -4.09 0.00 1.18 0.07 3.01 -1.13 -2.68 117.46 113.82 3i56 n PHE 52 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 3i56 n PHE 52 Cb 0.42 -0.17 0.32 0.00 -0.01 0.00 0.00 39.48 40.04 3i56 n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3i56 n SER 53 N -1.17 2.25 -4.90 4.37 7.64 -0.92 -4.93 113.62 115.95 3i56 n SER 53 Ca 0.17 -1.75 -0.28 0.00 1.01 0.00 0.00 58.87 58.01 3i56 n SER 53 Cb 0.17 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 3i56 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3i56 s LYS 54 N -1.93 3.61 0.08 1.43 1.02 -1.09 -5.01 119.74 117.85 3i56 s LYS 54 Ca 0.34 0.22 0.08 0.00 0.02 0.00 0.00 55.97 56.62 3i56 s LYS 54 Cb 0.20 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 3i56 s LYS 54 CO 0.31 -0.08 -0.18 0.14 -0.92 0.00 0.00 175.35 174.62 3i56 s VAL 55 N -2.53 2.85 0.29 3.17 -7.23 -1.26 -5.10 120.40 110.59 3i56 s VAL 55 Ca 0.48 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 59.01 3i56 s VAL 55 Cb -0.10 -2.26 -0.12 0.00 0.56 0.00 0.00 36.38 34.46 3i56 s VAL 55 CO 0.39 0.22 1.46 -2.65 -0.31 0.00 0.00 175.10 174.20 3i56 n PRO 56 N 1.16 2.36 0.00 4.82 -0.02 -1.26 -5.00 135.00 137.05 3i56 n PRO 56 Ca -0.16 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3i56 n PRO 56 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3i56 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i56 n GLY 57 N 1.74 -2.76 0.00 -1.23 0.00 -1.26 -5.09 105.19 96.59 3i56 n GLY 57 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3i56 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 58 N 1.65 0.89 3.31 -0.02 0.00 -1.26 -5.13 105.19 104.63 3i56 n GLY 58 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 3i56 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i56 s ASP 59 N -1.00 2.26 0.05 1.61 1.01 -1.26 -5.15 116.67 114.19 3i56 s ASP 59 Ca 0.00 -1.03 -0.12 0.00 0.71 0.00 0.00 52.55 52.11 3i56 s ASP 59 Cb 0.00 -0.08 -0.06 0.00 1.01 0.00 0.00 42.92 43.79 3i56 s ASP 59 CO 0.00 -0.25 0.42 -0.75 0.21 0.00 0.00 175.17 174.81 3i56 s LYS 60 N -3.69 3.85 0.54 8.23 2.47 -1.26 -4.99 119.74 124.89 3i56 s LYS 60 Ca 0.21 0.32 0.32 0.00 -1.56 0.00 0.00 55.97 55.25 3i56 s LYS 60 Cb 0.01 -3.08 1.48 0.00 -1.46 0.00 0.00 37.83 34.78 3i56 s LYS 60 CO 0.05 0.61 1.88 -1.00 0.16 0.00 0.00 175.35 177.04 3i56 h PRO 61 N 4.11 0.00 -3.31 4.03 0.13 -2.05 -3.40 132.00 131.51 3i56 h PRO 61 Ca -0.50 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.38 3i56 h PRO 61 Cb 1.20 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 3i56 h PRO 61 CO 0.64 0.00 -0.62 0.99 -0.23 0.00 0.00 178.00 178.78 3i56 s THR 62 N -4.93 -0.05 0.38 1.56 2.01 -1.26 -5.03 115.64 108.32 3i56 s THR 62 Ca -0.05 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 3i56 s THR 62 Cb 0.21 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.47 3i56 s THR 62 CO 0.75 0.07 0.65 -0.54 -0.69 0.00 0.00 174.62 174.86 3i56 s LYS 63 N 1.08 3.58 0.83 4.92 -0.14 -1.26 -4.88 119.74 123.86 3i56 s LYS 63 Ca -0.08 0.02 -0.11 0.00 -1.36 0.00 0.00 55.97 54.43 3i56 s LYS 63 Cb -0.11 -2.54 0.12 0.00 -1.68 0.00 0.00 37.83 33.62 3i56 s LYS 63 CO -0.05 0.04 1.18 0.15 -0.76 0.00 0.00 175.35 175.90 3i56 s LYS 64 N -4.17 1.57 -0.14 1.68 1.02 -1.26 -2.49 119.74 115.94 3i56 s LYS 64 Ca 0.45 -0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 3i56 s LYS 64 Cb -0.10 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 3i56 s LYS 64 CO 0.36 -1.77 0.98 0.99 -0.92 0.00 0.00 175.35 174.99 3i56 s THR 65 N -3.58 4.78 -0.68 2.17 2.01 -0.55 -4.82 115.64 114.97 3i56 s THR 65 Ca 0.66 1.96 0.05 0.00 0.31 0.00 0.00 61.69 64.67 3i56 s THR 65 Cb -0.08 -4.28 0.24 0.00 0.01 0.00 0.00 72.50 68.39 3i56 s THR 65 CO 0.49 -0.03 0.77 -0.67 -0.69 0.00 0.00 174.62 174.49 3i56 n ASP 66 N 5.32 3.86 -4.92 3.53 2.03 -1.26 -4.05 116.55 121.05 3i56 n ASP 66 Ca 0.09 -3.41 -0.20 0.00 0.52 0.00 0.00 54.79 51.78 3i56 n ASP 66 Cb 0.48 -0.73 -0.02 0.00 -0.72 0.00 0.00 41.12 40.14 3i56 n ASP 66 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i56 s LEU 67 N -2.37 3.68 -0.10 -2.67 1.43 -1.26 -1.65 118.68 115.74 3i56 s LEU 67 Ca 0.37 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3i56 s LEU 67 Cb 0.12 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.94 3i56 s LEU 67 CO -0.02 -0.50 -0.12 -0.54 0.23 0.00 0.00 176.35 175.40 3i56 s LYS 68 N -4.13 1.83 -0.64 1.70 1.02 0.27 -4.69 119.74 115.11 3i56 s LYS 68 Ca 0.46 -0.41 -0.12 0.00 0.02 0.00 0.00 55.97 55.91 3i56 s LYS 68 Cb -0.07 -1.66 0.16 0.00 -0.52 0.00 0.00 37.83 35.74 3i56 s LYS 68 CO 0.29 -0.12 0.56 0.71 -0.92 0.00 0.00 175.35 175.87 3i56 s TYR 69 N 1.18 3.49 -0.12 3.18 1.51 -0.79 -2.09 117.35 123.70 3i56 s TYR 69 Ca -0.04 -1.81 -0.26 0.00 -1.01 0.00 0.00 57.07 53.95 3i56 s TYR 69 Cb -0.14 -3.68 -0.02 0.00 -0.11 0.00 0.00 41.96 38.01 3i56 s TYR 69 CO -0.03 -0.99 0.83 1.03 -1.11 0.00 0.00 175.55 175.28 3i56 s ARG 70 N 0.86 4.36 0.29 -0.62 1.81 0.47 -1.55 118.95 124.58 3i56 s ARG 70 Ca 0.10 1.05 -0.28 0.00 -1.72 0.00 0.00 55.73 54.88 3i56 s ARG 70 Cb -0.21 -3.53 -0.09 0.00 -0.45 0.00 0.00 34.95 30.66 3i56 s ARG 70 CO -0.03 -0.21 1.02 0.00 -0.68 0.00 0.00 175.30 175.40 3i56 h GLY 72 N 3.60 0.16 0.00 0.00 0.00 -1.73 -3.06 103.07 102.03 3i56 h GLY 72 Ca -0.46 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.63 3i56 h GLY 72 CO 0.66 0.21 -0.42 -2.21 0.00 0.00 0.00 176.54 174.78 3i56 n GLU 73 N -3.75 0.26 0.26 4.80 2.13 -1.26 -4.58 120.64 118.50 3i56 n GLU 73 Ca -0.02 0.23 0.14 0.00 0.66 0.00 0.00 57.16 58.17 3i56 n GLU 73 Cb 0.70 -1.10 0.67 0.00 0.27 0.00 0.00 31.44 31.98 3i56 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i56 n GLY 75 N -0.20 0.49 3.89 0.00 0.00 -1.16 -5.04 105.19 103.16 3i56 n GLY 75 Ca -0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 3i56 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i56 s LYS 76 N -0.96 3.51 0.25 1.61 1.02 -1.26 -4.72 119.74 119.18 3i56 s LYS 76 Ca 0.00 -0.16 0.06 0.00 0.02 0.00 0.00 55.97 55.89 3i56 s LYS 76 Cb 0.00 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 3i56 s LYS 76 CO 0.00 0.68 0.30 0.00 -0.92 0.00 0.00 175.35 175.41 3i56 s ALA 77 N -1.26 3.81 0.11 5.17 0.00 -1.26 -1.85 121.76 126.49 3i56 s ALA 77 Ca 0.25 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 3i56 s ALA 77 Cb -0.13 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3i56 s ALA 77 CO 0.15 0.23 0.02 -3.38 0.00 0.00 0.00 175.76 172.78 3i56 s HIS 78 N -2.05 0.82 0.02 0.00 -3.43 -0.60 -4.97 115.29 105.07 3i56 s HIS 78 Ca 0.34 -1.15 0.06 0.00 -0.80 0.00 0.00 55.06 53.51 3i56 s HIS 78 Cb -0.08 -0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 30.55 3i56 s HIS 78 CO 0.27 -0.43 -0.15 -0.51 -2.00 0.00 0.00 174.74 171.92 3i56 s LEU 79 N -3.03 2.72 0.21 5.38 1.43 -1.26 -1.88 118.68 122.25 3i56 s LEU 79 Ca 0.19 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3i56 s LEU 79 Cb 0.07 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 3i56 s LEU 79 CO -0.01 0.27 -0.16 -0.13 0.23 0.00 0.00 176.35 176.55 3i56 s ARG 80 N -1.31 1.40 0.14 1.70 0.52 -1.26 -5.06 118.95 115.08 3i56 s ARG 80 Ca 0.15 -1.60 -0.31 0.00 -0.52 0.00 0.00 55.73 53.44 3i56 s ARG 80 Cb -0.11 -1.30 -0.09 0.00 0.52 0.00 0.00 34.95 33.98 3i56 s ARG 80 CO 0.05 0.23 1.44 -2.00 0.02 0.00 0.00 175.30 175.04 3i56 s GLU 81 N -3.48 4.29 0.65 3.54 2.12 -1.26 -4.88 118.70 119.68 3i56 s GLU 81 Ca 0.23 2.17 -0.04 0.00 0.36 0.00 0.00 54.97 57.69 3i56 s GLU 81 Cb -0.02 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.20 3i56 s GLU 81 CO 0.09 -0.48 0.94 0.20 -0.54 0.00 0.00 175.26 175.47 3i56 s GLY 82 N 1.04 1.71 0.10 -1.50 0.00 -1.26 -5.01 107.32 102.40 3i56 s GLY 82 Ca 0.65 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 44.42 3i56 s GLY 82 CO 0.32 -0.64 -0.12 0.66 0.00 0.00 0.00 173.10 173.31 3i56 s TRP 83 N -3.09 1.20 0.01 1.90 -2.14 -1.26 -4.71 118.94 110.85 3i56 s TRP 83 Ca 0.59 -0.59 -0.30 0.00 2.66 0.00 0.00 56.10 58.46 3i56 s TRP 83 Cb -0.11 -0.65 -0.07 0.00 -3.10 0.00 0.00 33.47 29.55 3i56 s TRP 83 CO 0.43 0.06 1.63 1.03 -2.66 0.00 0.00 176.95 177.44 3i56 s ARG 84 N -2.58 4.20 -0.13 3.25 0.52 -1.26 -1.49 118.95 121.46 3i56 s ARG 84 Ca 0.05 2.24 -0.05 0.00 -0.52 0.00 0.00 55.73 57.45 3i56 s ARG 84 Cb -0.05 -3.75 0.06 0.00 0.52 0.00 0.00 34.95 31.73 3i56 s ARG 84 CO 0.01 -0.76 0.28 0.00 0.02 0.00 0.00 175.30 174.85 3i56 s ALA 85 N 3.16 -0.62 0.29 2.13 0.00 -1.04 -4.97 121.76 120.71 3i56 s ALA 85 Ca 0.73 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 53.71 3i56 s ALA 85 Cb -0.36 -0.94 0.43 0.00 0.00 0.00 0.00 23.12 22.25 3i56 s ALA 85 CO 0.31 -0.52 1.83 0.78 0.00 0.00 0.00 175.76 178.16 3i56 h GLY 86 N 7.94 0.81 -5.34 0.00 0.00 -1.95 -3.39 103.07 101.15 3i56 h GLY 86 Ca -0.22 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 3i56 h GLY 86 CO 0.20 0.45 -0.20 -1.60 0.00 0.00 0.00 176.54 175.39 3i56 s ARG 87 N -5.12 0.50 -0.22 4.80 3.52 -1.26 -4.95 118.95 116.22 3i56 s ARG 87 Ca -0.09 0.75 0.01 0.00 -0.13 0.00 0.00 55.73 56.27 3i56 s ARG 87 Cb 0.15 0.15 0.05 0.00 -1.56 0.00 0.00 34.95 33.74 3i56 s ARG 87 CO 0.79 -0.11 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.91 3i56 s LEU 88 N 0.79 2.56 0.07 -0.88 2.96 -1.26 0.24 118.68 123.16 3i56 s LEU 88 Ca -0.04 -1.05 0.04 0.00 -0.22 0.00 0.00 54.13 52.86 3i56 s LEU 88 Cb -0.05 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 3i56 s LEU 88 CO -0.06 -0.17 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.17 3i56 s GLU 89 N 1.34 2.56 0.01 1.98 2.02 -0.79 -5.00 118.70 120.82 3i56 s GLU 89 Ca -0.04 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 3i56 s GLU 89 Cb -0.18 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 3i56 s GLU 89 CO -0.07 0.56 0.14 -0.06 0.02 0.00 0.00 175.26 175.84 3i56 s PHE 90 N -1.24 3.41 -0.40 1.61 0.40 -1.26 -0.59 117.98 119.91 3i56 s PHE 90 Ca 0.24 0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 56.73 3i56 s PHE 90 Cb -0.12 -1.76 0.06 0.00 0.51 0.00 0.00 43.02 41.71 3i56 s PHE 90 CO 0.16 0.59 0.23 -0.65 0.70 0.00 0.00 175.22 176.25 3i56 s GLN 91 N -1.98 2.67 0.00 0.44 -0.21 -0.46 -4.87 119.66 115.25 3i56 s GLN 91 Ca 0.27 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.31 3i56 s GLN 91 Cb -0.12 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.14 3i56 s GLN 91 CO 0.18 -0.86 0.00 0.39 -2.12 0.00 0.00 175.29 172.88