#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s GLN 2 N 0.00 3.69 -0.26 3.17 -1.52 -1.26 -0.95 119.66 122.53 1q82 s GLN 2 Ca 0.00 0.13 -0.12 0.00 -1.95 0.00 0.00 55.36 53.42 1q82 s GLN 2 Cb 0.00 -2.61 0.09 0.00 -0.22 0.00 0.00 33.01 30.27 1q82 s GLN 2 CO 0.00 0.20 0.60 1.41 -0.25 0.00 0.00 175.29 177.25 1q82 s MET 3 N -3.44 0.57 0.32 2.91 -2.45 0.29 -4.88 119.30 112.62 1q82 s MET 3 Ca 0.46 1.18 -0.29 0.00 -1.25 0.00 0.00 55.69 55.79 1q82 s MET 3 Cb -0.11 0.32 -0.11 0.00 1.25 0.00 0.00 34.83 36.18 1q82 s MET 3 CO 0.28 -0.18 1.55 -1.25 1.05 0.00 0.00 175.02 176.47 1q82 s PRO 4 N 2.02 4.13 0.31 4.11 0.04 -1.26 -0.25 135.00 144.09 1q82 s PRO 4 Ca -0.08 2.56 0.02 0.00 0.04 0.00 0.00 61.00 63.54 1q82 s PRO 4 Cb -0.08 -3.01 0.50 0.00 0.04 0.00 0.00 34.50 31.95 1q82 s PRO 4 CO -0.18 -0.58 1.83 -0.09 0.04 0.00 0.00 177.00 178.02 1q82 h ARG 5 N 4.20 0.61 -5.07 4.56 9.65 -1.82 -3.43 114.38 123.08 1q82 h ARG 5 Ca -0.48 -0.15 -0.39 0.00 -1.10 0.00 0.00 59.98 57.86 1q82 h ARG 5 Cb 1.23 -0.08 -0.23 0.00 -1.39 0.00 0.00 29.97 29.49 1q82 h ARG 5 CO 0.74 0.64 -0.77 1.03 2.80 0.00 0.00 179.97 184.41 1q82 s ARG 6 N -4.95 0.77 -0.24 0.20 0.52 -1.26 -0.22 118.95 113.78 1q82 s ARG 6 Ca -0.08 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.06 1q82 s ARG 6 Cb 0.15 -0.72 0.17 0.00 0.52 0.00 0.00 34.95 35.07 1q82 s ARG 6 CO 0.78 0.17 1.23 -0.59 0.02 0.00 0.00 175.30 176.91 1q82 s PHE 7 N -1.02 -0.15 0.19 -0.53 -0.12 -0.76 -4.99 117.98 110.60 1q82 s PHE 7 Ca -0.02 0.24 -0.30 0.00 -0.05 0.00 0.00 56.93 56.80 1q82 s PHE 7 Cb -0.08 0.48 -0.08 0.00 -0.63 0.00 0.00 43.02 42.71 1q82 s PHE 7 CO 0.01 -0.15 1.08 -0.80 -0.05 0.00 0.00 175.22 175.31 1q82 s ASN 8 N -1.16 7.31 -0.01 1.98 0.01 -1.26 -1.44 114.94 120.37 1q82 s ASN 8 Ca 0.06 2.08 -0.30 0.00 -0.71 0.00 0.00 52.86 53.99 1q82 s ASN 8 Cb -0.01 -2.61 0.11 0.00 0.41 0.00 0.00 41.25 39.15 1q82 s ASN 8 CO -0.05 -0.17 1.07 0.28 -1.51 0.00 0.00 177.10 176.73 1q82 s THR 9 N -0.40 0.00 0.17 1.60 -1.32 -0.95 -4.95 115.64 109.78 1q82 s THR 9 Ca 0.48 -0.21 -0.32 0.00 -1.21 0.00 0.00 61.69 60.43 1q82 s THR 9 Cb -0.29 -1.46 -0.11 0.00 -1.51 0.00 0.00 72.50 69.13 1q82 s THR 9 CO 0.35 0.00 1.66 -0.47 -2.21 0.00 0.00 174.62 173.95 1q82 s TYR 10 N -2.83 2.85 -0.24 9.09 5.04 -1.26 -2.30 117.35 127.69 1q82 s TYR 10 Ca 0.10 0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 55.10 1q82 s TYR 10 Cb 0.00 -4.04 -0.02 0.00 0.35 0.00 0.00 41.96 38.26 1q82 s TYR 10 CO -0.04 -3.95 0.02 0.00 -1.34 0.00 0.00 175.55 170.24 1q82 h PRO 12 N 8.18 0.00 0.00 0.00 0.13 -1.95 0.46 132.00 138.82 1q82 h PRO 12 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1q82 h PRO 12 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1q82 h PRO 12 CO 0.59 0.00 -0.16 0.45 -0.23 0.00 0.00 178.00 178.65 1q82 h HIS 13 N 0.00 0.00 0.00 1.56 3.86 -1.93 -3.37 115.15 115.27 1q82 h HIS 13 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1q82 h HIS 13 Cb 0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1q82 h HIS 13 CO 0.00 0.00 -0.01 0.00 0.86 0.00 0.00 177.93 178.78 1q82 n ASN 15 N -3.13 -3.87 -3.55 0.00 2.85 0.16 -5.01 115.26 102.71 1q82 n ASN 15 Ca -0.01 -0.21 -0.07 0.00 -0.11 0.00 0.00 54.58 54.17 1q82 n ASN 15 Cb 0.19 -2.53 -0.03 0.00 1.24 0.00 0.00 39.78 38.65 1q82 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1q82 s GLU 16 N -5.43 0.59 0.08 1.20 -1.05 -1.11 -4.95 118.70 108.04 1q82 s GLU 16 Ca 0.23 -0.14 -0.31 0.00 -0.15 0.00 0.00 54.97 54.60 1q82 s GLU 16 Cb -0.10 0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.79 1q82 s GLU 16 CO 0.28 -0.24 1.48 -1.01 0.95 0.00 0.00 175.26 176.72 1q82 s HIS 17 N -2.41 2.94 0.19 4.83 3.76 -1.26 -1.99 115.29 121.35 1q82 s HIS 17 Ca 0.05 0.73 -0.17 0.00 -0.15 0.00 0.00 55.06 55.51 1q82 s HIS 17 Cb -0.01 -3.78 0.03 0.00 1.11 0.00 0.00 32.58 29.93 1q82 s HIS 17 CO -0.05 -2.90 0.51 -0.65 -0.85 0.00 0.00 174.74 170.80 1q82 s GLN 18 N 1.77 1.37 -0.09 1.40 -0.21 -0.97 -4.92 119.66 118.00 1q82 s GLN 18 Ca 0.67 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.88 1q82 s GLN 18 Cb -0.37 0.51 -0.03 0.00 1.00 0.00 0.00 33.01 34.12 1q82 s GLN 18 CO 0.30 -0.58 1.36 -2.00 -2.12 0.00 0.00 175.29 172.25 1q82 s GLU 19 N -3.88 4.25 0.08 2.91 2.12 -1.26 -2.25 118.70 120.68 1q82 s GLU 19 Ca 0.09 1.83 0.05 0.00 0.36 0.00 0.00 54.97 57.30 1q82 s GLU 19 Cb -0.01 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1q82 s GLU 19 CO -0.03 -0.67 -0.01 -1.01 -0.54 0.00 0.00 175.26 173.00 1q82 s HIS 20 N 3.18 2.97 -0.15 5.30 3.76 -0.52 0.12 115.29 129.96 1q82 s HIS 20 Ca 0.61 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 55.47 1q82 s HIS 20 Cb -0.26 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1q82 s HIS 20 CO 0.21 0.47 -0.09 -2.00 -0.85 0.00 0.00 174.74 172.49 1q82 s GLU 21 N -2.22 3.49 -0.17 1.40 2.12 0.12 -1.83 118.70 121.62 1q82 s GLU 21 Ca 0.25 -0.62 -0.15 0.00 0.36 0.00 0.00 54.97 54.81 1q82 s GLU 21 Cb -0.12 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1q82 s GLU 21 CO 0.17 0.18 0.33 0.08 -0.54 0.00 0.00 175.26 175.49 1q82 s VAL 22 N 0.47 5.27 0.03 3.70 1.01 0.70 -1.30 120.40 130.27 1q82 s VAL 22 Ca -0.07 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1q82 s VAL 22 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1q82 s VAL 22 CO 0.04 0.35 -0.06 -0.70 0.00 0.00 0.00 175.10 174.73 1q82 s GLU 23 N 0.71 0.41 0.12 2.72 2.12 -1.00 -4.87 118.70 118.93 1q82 s GLU 23 Ca 0.18 -0.59 -0.28 0.00 0.36 0.00 0.00 54.97 54.64 1q82 s GLU 23 Cb -0.14 -0.17 -0.07 0.00 0.26 0.00 0.00 34.13 34.02 1q82 s GLU 23 CO 0.06 0.03 0.89 0.15 -0.54 0.00 0.00 175.26 175.84 1q82 s LYS 24 N -1.24 4.66 -0.30 4.30 1.02 -1.26 -1.00 119.74 125.92 1q82 s LYS 24 Ca -0.09 1.33 -0.28 0.00 0.02 0.00 0.00 55.97 56.95 1q82 s LYS 24 Cb -0.08 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1q82 s LYS 24 CO -0.00 0.33 1.94 0.08 -0.92 0.00 0.00 175.35 176.77 1q82 s VAL 25 N -0.36 3.32 0.08 3.17 1.01 -0.88 -4.89 120.40 121.86 1q82 s VAL 25 Ca 0.43 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1q82 s VAL 25 Cb -0.23 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1q82 s VAL 25 CO 0.28 -0.28 1.00 -0.13 0.00 0.00 0.00 175.10 175.97 1q82 s ARG 26 N 5.91 4.63 0.47 2.72 0.52 -1.26 -5.00 118.95 126.95 1q82 s ARG 26 Ca 0.87 1.50 -0.24 0.00 -0.52 0.00 0.00 55.73 57.33 1q82 s ARG 26 Cb -0.26 -3.39 -0.07 0.00 0.52 0.00 0.00 34.95 31.75 1q82 s ARG 26 CO 0.34 0.09 1.37 -1.12 0.02 0.00 0.00 175.30 176.00 1q82 s SER 27 N 0.34 5.77 0.21 0.23 0.01 -1.26 -5.01 113.70 114.00 1q82 s SER 27 Ca 0.49 2.79 -0.08 0.00 1.31 0.00 0.00 55.95 60.46 1q82 s SER 27 Cb -0.24 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.28 1q82 s SER 27 CO 0.30 -1.23 0.51 -0.83 0.41 0.00 0.00 173.24 172.40 1q82 s GLY 28 N -0.74 2.26 0.20 3.44 0.00 -1.26 -5.07 107.32 106.15 1q82 s GLY 28 Ca 0.64 -0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 1q82 s GLY 28 CO 0.51 -0.22 0.80 -1.60 0.00 0.00 0.00 173.10 172.59 1q82 s ARG 29 N -2.80 4.54 0.35 2.90 3.52 -1.26 -5.04 118.95 121.16 1q82 s ARG 29 Ca 0.46 1.16 -0.25 0.00 -0.13 0.00 0.00 55.73 56.96 1q82 s ARG 29 Cb -0.11 -3.14 -0.10 0.00 -1.56 0.00 0.00 34.95 30.04 1q82 s ARG 29 CO 0.22 0.50 0.98 -0.65 -0.81 0.00 0.00 175.30 175.55 1q82 s GLN 30 N -1.40 4.44 0.16 5.12 -0.21 -1.26 -4.97 119.66 121.53 1q82 s GLN 30 Ca 0.39 1.39 0.19 0.00 0.02 0.00 0.00 55.36 57.35 1q82 s GLN 30 Cb -0.22 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.06 1q82 s GLN 30 CO 0.26 0.13 1.03 1.79 -2.12 0.00 0.00 175.29 176.38 1q82 h THR 31 N 2.46 0.38 -1.90 -0.19 1.35 -2.03 -3.48 112.91 109.49 1q82 h THR 31 Ca -0.47 -1.68 -0.27 0.00 -0.55 0.00 0.00 66.41 63.44 1q82 h THR 31 Cb 1.20 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 1q82 h THR 31 CO 0.64 0.22 -0.34 0.61 -0.25 0.00 0.00 175.52 176.39 1q82 n GLY 32 N 1.29 -0.15 0.00 5.82 0.00 -1.26 -4.89 105.19 105.99 1q82 n GLY 32 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1q82 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1q82 n MET 33 N -2.30 0.29 -0.94 1.61 2.81 -1.26 -4.84 117.12 112.49 1q82 n MET 33 Ca -0.16 -0.59 -0.30 0.00 -1.81 0.00 0.00 57.70 54.85 1q82 n MET 33 Cb 0.62 -0.79 0.17 0.00 -0.71 0.00 0.00 33.22 32.51 1q82 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1q82 s LYS 34 N -0.22 0.77 0.38 0.03 3.01 -1.26 -4.83 119.74 117.63 1q82 s LYS 34 Ca 0.00 1.03 0.06 0.00 -1.01 0.00 0.00 55.97 56.05 1q82 s LYS 34 Cb 0.00 -1.74 0.78 0.00 -1.01 0.00 0.00 37.83 35.86 1q82 s LYS 34 CO 0.00 -2.63 2.01 2.35 0.51 0.00 0.00 175.35 177.59 1q82 h TRP 35 N -1.84 0.66 0.00 3.18 7.01 -2.00 -2.11 115.95 120.85 1q82 h TRP 35 Ca -0.50 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.46 1q82 h TRP 35 Cb 1.29 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 28.12 1q82 h TRP 35 CO 0.42 0.39 -0.26 0.97 -2.79 0.00 0.00 178.44 177.17 1q82 h ILE 36 N 0.69 0.93 -0.11 2.65 6.09 -1.99 -0.45 117.51 125.33 1q82 h ILE 36 Ca 0.23 -0.98 -0.08 0.00 -1.37 0.00 0.00 64.86 62.66 1q82 h ILE 36 Cb 0.07 1.57 0.00 0.00 0.47 0.00 0.00 36.82 38.93 1q82 h ILE 36 CO -0.06 0.25 -0.26 0.44 -3.07 0.00 0.00 178.15 175.45 1q82 h ASP 37 N 0.00 0.41 0.31 2.19 3.32 -1.73 -2.12 116.42 118.79 1q82 h ASP 37 Ca -0.00 -0.58 -0.14 0.00 0.02 0.00 0.00 57.03 56.33 1q82 h ASP 37 Cb 0.55 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1q82 h ASP 37 CO 0.03 0.92 -0.55 0.03 -1.72 0.00 0.00 179.24 177.96 1q82 h ARG 38 N -0.08 0.26 -0.14 3.56 3.08 -1.30 -2.50 114.38 117.26 1q82 h ARG 38 Ca -0.00 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 1q82 h ARG 38 Cb 0.87 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 1q82 h ARG 38 CO 0.06 0.74 -0.44 0.37 -1.07 0.00 0.00 179.97 179.62 1q82 h GLN 39 N 0.20 0.32 -0.02 0.04 4.15 -1.05 0.43 115.11 119.19 1q82 h GLN 39 Ca 0.00 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1q82 h GLN 39 Cb 1.03 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 1q82 h GLN 39 CO 0.09 0.71 -0.00 -0.09 -1.93 0.00 0.00 178.83 177.60 1q82 h ARG 40 N 0.27 0.04 0.66 1.69 2.43 -1.24 0.14 114.38 118.36 1q82 h ARG 40 Ca 0.02 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1q82 h ARG 40 Cb 0.89 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1q82 h ARG 40 CO 0.07 0.37 -0.48 0.93 -1.51 0.00 0.00 179.97 179.36 1q82 h GLU 41 N -0.30 -1.05 -0.44 0.20 5.08 -1.37 -1.96 114.58 114.73 1q82 h GLU 41 Ca 0.01 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1q82 h GLU 41 Cb 0.36 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 1q82 h GLU 41 CO 0.00 -0.70 -0.11 -0.09 -1.00 0.00 0.00 179.01 177.11 1q82 h ARG 42 N -1.09 -0.00 0.00 2.33 2.43 -0.90 -3.06 114.38 114.09 1q82 h ARG 42 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1q82 h ARG 42 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1q82 h ARG 42 CO 0.04 -0.00 -0.24 0.09 -1.51 0.00 0.00 179.97 178.35 1q82 n ASN 43 N -5.33 0.29 -4.70 -3.80 4.13 0.47 -4.86 115.26 101.46 1q82 n ASN 43 Ca 0.03 0.18 -0.40 0.00 1.68 0.00 0.00 54.58 56.07 1q82 n ASN 43 Cb 0.24 -0.17 -0.05 0.00 -1.54 0.00 0.00 39.78 38.26 1q82 n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1q82 s SER 44 N -3.15 6.91 0.00 6.41 0.01 -0.74 -4.94 113.70 118.20 1q82 s SER 44 Ca 0.12 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1q82 s SER 44 Cb 0.18 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1q82 s SER 44 CO 0.61 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.68 1q82 n GLY 45 N 3.31 4.55 3.72 3.44 0.00 -1.26 -4.98 105.19 113.97 1q82 n GLY 45 Ca -0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1q82 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q82 s ILE 46 N 0.46 3.32 0.00 -0.61 1.01 -1.26 -4.82 121.20 119.30 1q82 s ILE 46 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1q82 s ILE 46 Cb 0.00 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1q82 s ILE 46 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1q82 n GLY 47 N 3.36 -2.05 3.48 6.18 0.00 -1.26 -4.92 105.19 109.99 1q82 n GLY 47 Ca 0.11 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1q82 n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q82 n ASN 48 N 0.71 -0.58 -1.43 1.61 5.15 -1.26 -4.94 115.26 114.53 1q82 n ASN 48 Ca 0.00 0.88 -0.03 0.00 -0.60 0.00 0.00 54.58 54.82 1q82 n ASN 48 Cb 0.00 -1.17 0.24 0.00 -0.53 0.00 0.00 39.78 38.32 1q82 n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1q82 n ASP 49 N 0.91 3.64 0.00 1.20 8.00 -1.26 -4.81 116.55 124.23 1q82 n ASP 49 Ca 0.11 -3.40 0.00 0.00 0.71 0.00 0.00 54.79 52.21 1q82 n ASP 49 Cb 0.42 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1q82 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q82 n GLY 50 N -0.70 3.30 0.23 0.44 0.00 -1.26 -2.29 105.19 104.91 1q82 n GLY 50 Ca 0.35 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 1q82 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1q82 h LYS 51 N 0.00 0.76 0.00 1.61 2.10 -1.99 -2.81 116.57 116.25 1q82 h LYS 51 Ca 0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1q82 h LYS 51 Cb 0.00 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.23 1q82 h LYS 51 CO 0.00 0.74 0.00 1.19 -2.00 0.00 0.00 179.45 179.38 1q82 n PHE 52 N -4.49 0.22 0.97 0.07 0.99 -0.97 -1.52 117.46 112.74 1q82 n PHE 52 Ca 0.01 0.10 0.12 0.00 -0.00 0.00 0.00 57.45 57.68 1q82 n PHE 52 Cb 0.21 -0.67 0.31 0.00 -1.00 0.00 0.00 39.48 38.33 1q82 n PHE 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1q82 n SER 53 N -1.72 2.38 -4.88 4.37 7.64 -1.06 -4.93 113.62 115.41 1q82 n SER 53 Ca 0.01 -1.81 -0.31 0.00 1.01 0.00 0.00 58.87 57.77 1q82 n SER 53 Cb 0.08 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 1q82 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1q82 s LYS 54 N -1.77 3.74 0.09 1.43 1.02 -0.57 -5.00 119.74 118.68 1q82 s LYS 54 Ca 0.34 0.19 0.09 0.00 0.02 0.00 0.00 55.97 56.62 1q82 s LYS 54 Cb 0.20 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 1q82 s LYS 54 CO 0.30 0.28 -0.24 0.14 -0.92 0.00 0.00 175.35 174.90 1q82 s VAL 55 N -1.91 2.00 -0.09 3.17 -7.23 -1.26 -5.08 120.40 110.00 1q82 s VAL 55 Ca 0.46 -1.54 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 1q82 s VAL 55 Cb -0.11 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1q82 s VAL 55 CO 0.24 0.12 0.33 -2.65 -0.31 0.00 0.00 175.10 172.84 1q82 n PRO 56 N 1.28 0.00 0.00 4.82 -0.02 -1.26 -4.93 135.00 134.89 1q82 n PRO 56 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1q82 n PRO 56 Cb 0.53 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 1q82 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q82 n GLY 57 N 1.06 -0.60 0.00 -1.23 0.00 -1.26 -5.01 105.19 98.16 1q82 n GLY 57 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1q82 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 58 N -0.21 -0.62 3.02 -0.02 0.00 -1.26 -5.17 105.19 100.94 1q82 n GLY 58 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 1q82 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q82 s ASP 59 N -4.00 0.79 0.04 1.61 1.01 -1.26 -5.14 116.67 109.72 1q82 s ASP 59 Ca 0.00 -0.35 -0.18 0.00 0.71 0.00 0.00 52.55 52.73 1q82 s ASP 59 Cb 0.00 -0.01 -0.06 0.00 1.01 0.00 0.00 42.92 43.85 1q82 s ASP 59 CO 0.00 -0.08 0.52 -0.75 0.21 0.00 0.00 175.17 175.07 1q82 s LYS 60 N -0.94 4.13 0.42 8.23 2.47 -1.26 -4.97 119.74 127.81 1q82 s LYS 60 Ca -0.04 0.64 0.25 0.00 -1.56 0.00 0.00 55.97 55.26 1q82 s LYS 60 Cb -0.07 -3.24 1.30 0.00 -1.46 0.00 0.00 37.83 34.36 1q82 s LYS 60 CO 0.00 0.63 1.67 -1.00 0.16 0.00 0.00 175.35 176.82 1q82 h PRO 61 N 4.68 0.19 -4.00 4.03 0.13 -2.06 -3.40 132.00 131.57 1q82 h PRO 61 Ca -0.50 -0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.36 1q82 h PRO 61 Cb 1.21 -0.04 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 1q82 h PRO 61 CO 0.63 0.12 -0.73 0.99 -0.23 0.00 0.00 178.00 178.79 1q82 s THR 62 N -5.38 0.19 0.23 1.56 2.01 -1.26 -5.03 115.64 107.95 1q82 s THR 62 Ca -0.08 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 1q82 s THR 62 Cb 0.28 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.57 1q82 s THR 62 CO 0.81 -0.01 0.46 -0.54 -0.69 0.00 0.00 174.62 174.65 1q82 s LYS 63 N -0.22 3.57 0.57 4.92 -0.14 -1.26 -4.92 119.74 122.26 1q82 s LYS 63 Ca -0.01 -0.20 -0.10 0.00 -1.36 0.00 0.00 55.97 54.31 1q82 s LYS 63 Cb -0.02 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 1q82 s LYS 63 CO -0.00 0.33 0.96 0.15 -0.76 0.00 0.00 175.35 176.02 1q82 s LYS 64 N -3.39 3.63 0.07 1.68 1.02 -1.26 -1.92 119.74 119.57 1q82 s LYS 64 Ca 0.41 0.63 -0.31 0.00 0.02 0.00 0.00 55.97 56.72 1q82 s LYS 64 Cb -0.11 -2.17 -0.08 0.00 -0.52 0.00 0.00 37.83 34.95 1q82 s LYS 64 CO 0.29 -0.43 1.56 0.99 -0.92 0.00 0.00 175.35 176.84 1q82 s THR 65 N -2.99 3.15 -0.64 2.17 2.01 -0.14 -4.78 115.64 114.42 1q82 s THR 65 Ca 0.53 0.66 0.04 0.00 0.31 0.00 0.00 61.69 63.23 1q82 s THR 65 Cb -0.11 -3.42 0.16 0.00 0.01 0.00 0.00 72.50 69.14 1q82 s THR 65 CO 0.49 0.01 0.42 -0.62 -0.69 0.00 0.00 174.62 174.23 1q82 s ASP 66 N 1.97 4.74 0.44 3.53 2.15 -1.26 -3.80 116.67 124.44 1q82 s ASP 66 Ca 0.70 -3.47 0.05 0.00 0.43 0.00 0.00 52.55 50.26 1q82 s ASP 66 Cb -0.38 -1.67 -0.06 0.00 -0.30 0.00 0.00 42.92 40.51 1q82 s ASP 66 CO 0.31 -0.16 0.01 -0.76 -0.17 0.00 0.00 175.17 174.40 1q82 s LEU 67 N -0.92 2.69 -0.05 -1.34 1.43 -1.26 -2.07 118.68 117.16 1q82 s LEU 67 Ca 0.22 -1.45 0.02 0.00 -1.03 0.00 0.00 54.13 51.88 1q82 s LEU 67 Cb -0.14 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.24 1q82 s LEU 67 CO -0.09 -0.59 -0.08 -0.54 0.23 0.00 0.00 176.35 175.28 1q82 s LYS 68 N -3.77 1.16 -0.44 1.70 1.02 -0.17 -4.61 119.74 114.62 1q82 s LYS 68 Ca 0.26 -0.26 -0.07 0.00 0.02 0.00 0.00 55.97 55.92 1q82 s LYS 68 Cb 0.07 -1.05 0.11 0.00 -0.52 0.00 0.00 37.83 36.45 1q82 s LYS 68 CO 0.13 0.00 0.29 0.71 -0.92 0.00 0.00 175.35 175.57 1q82 s TYR 69 N 0.65 3.47 -0.19 3.18 1.51 -0.60 -2.36 117.35 123.01 1q82 s TYR 69 Ca -0.11 -2.01 -0.18 0.00 -1.01 0.00 0.00 57.07 53.76 1q82 s TYR 69 Cb -0.14 -3.34 -0.03 0.00 -0.11 0.00 0.00 41.96 38.34 1q82 s TYR 69 CO 0.02 -0.97 0.50 1.03 -1.11 0.00 0.00 175.55 175.02 1q82 s ARG 70 N 1.30 4.21 0.17 -0.62 0.52 -0.42 -1.22 118.95 122.89 1q82 s ARG 70 Ca 0.06 0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 55.38 1q82 s ARG 70 Cb -0.25 -3.54 -0.07 0.00 0.52 0.00 0.00 34.95 31.61 1q82 s ARG 70 CO -0.02 -0.09 0.96 0.00 0.02 0.00 0.00 175.30 176.18 1q82 n GLY 72 N 1.93 -1.00 0.01 0.00 0.00 0.32 -2.00 105.19 104.45 1q82 n GLY 72 Ca 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1q82 n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1q82 n GLU 73 N -2.21 1.53 0.10 1.61 2.13 -1.26 -4.73 120.64 117.81 1q82 n GLU 73 Ca -0.00 0.01 0.11 0.00 0.66 0.00 0.00 57.16 57.95 1q82 n GLU 73 Cb 0.11 -1.06 -0.00 0.00 0.27 0.00 0.00 31.44 30.75 1q82 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q82 n GLY 75 N 1.19 1.26 3.69 0.00 0.00 -0.85 -5.00 105.19 105.49 1q82 n GLY 75 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1q82 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q82 s LYS 76 N -0.09 4.32 0.48 1.61 1.02 -1.26 -4.63 119.74 121.18 1q82 s LYS 76 Ca 0.00 0.73 -0.02 0.00 0.02 0.00 0.00 55.97 56.70 1q82 s LYS 76 Cb 0.00 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1q82 s LYS 76 CO 0.00 -0.09 0.74 0.00 -0.92 0.00 0.00 175.35 175.08 1q82 s ALA 77 N 1.38 3.55 0.02 5.17 0.00 -1.26 -2.28 121.76 128.34 1q82 s ALA 77 Ca 0.32 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 1q82 s ALA 77 Cb -0.16 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1q82 s ALA 77 CO 0.13 -0.43 0.18 -3.38 0.00 0.00 0.00 175.76 172.26 1q82 s HIS 78 N -2.68 0.03 0.10 0.00 -3.43 -0.35 -4.95 115.29 104.01 1q82 s HIS 78 Ca 0.48 -0.15 0.02 0.00 -0.80 0.00 0.00 55.06 54.61 1q82 s HIS 78 Cb -0.10 -0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 30.98 1q82 s HIS 78 CO 0.41 -0.36 0.17 -0.51 -2.00 0.00 0.00 174.74 172.45 1q82 s LEU 79 N -1.67 4.10 0.23 5.38 1.43 -1.26 -1.55 118.68 125.33 1q82 s LEU 79 Ca -0.11 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1q82 s LEU 79 Cb -0.05 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1q82 s LEU 79 CO -0.00 0.14 0.03 -0.13 0.23 0.00 0.00 176.35 176.62 1q82 s ARG 80 N -2.67 1.33 0.31 1.70 0.52 -1.26 -5.03 118.95 113.84 1q82 s ARG 80 Ca 0.32 -1.68 -0.29 0.00 -0.52 0.00 0.00 55.73 53.56 1q82 s ARG 80 Cb -0.12 -0.44 -0.11 0.00 0.52 0.00 0.00 34.95 34.81 1q82 s ARG 80 CO 0.25 -0.17 1.52 -1.21 0.02 0.00 0.00 175.30 175.71 1q82 s GLU 81 N -3.93 4.16 0.62 3.54 2.02 -1.26 -4.85 118.70 119.00 1q82 s GLU 81 Ca 0.31 2.50 -0.03 0.00 0.02 0.00 0.00 54.97 57.77 1q82 s GLU 81 Cb 0.07 -3.03 0.04 0.00 0.10 0.00 0.00 34.13 31.31 1q82 s GLU 81 CO 0.10 -0.53 0.89 0.20 0.02 0.00 0.00 175.26 175.93 1q82 s GLY 82 N 0.24 1.75 -0.07 -1.39 0.00 -1.25 -4.95 107.32 101.65 1q82 s GLY 82 Ca 0.59 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 1q82 s GLY 82 CO 0.51 -0.76 0.19 0.66 0.00 0.00 0.00 173.10 173.69 1q82 s TRP 83 N -3.00 -0.21 -0.25 1.90 -2.14 -1.26 -4.68 118.94 109.31 1q82 s TRP 83 Ca 0.58 0.51 -0.37 0.00 2.66 0.00 0.00 56.10 59.49 1q82 s TRP 83 Cb -0.11 0.06 -0.13 0.00 -3.10 0.00 0.00 33.47 30.19 1q82 s TRP 83 CO 0.42 -0.11 1.91 0.54 -2.66 0.00 0.00 176.95 177.05 1q82 n ARG 84 N 3.12 1.43 -3.63 3.25 1.74 -1.26 -0.97 116.66 120.34 1q82 n ARG 84 Ca -0.14 0.50 -0.26 0.00 -0.77 0.00 0.00 57.85 57.18 1q82 n ARG 84 Cb 0.58 -2.36 -0.17 0.00 -1.02 0.00 0.00 32.46 29.49 1q82 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q82 s ALA 85 N 4.77 0.52 0.28 7.54 0.00 -0.81 -4.92 121.76 129.14 1q82 s ALA 85 Ca 1.00 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1q82 s ALA 85 Cb -0.90 -1.05 0.64 0.00 0.00 0.00 0.00 23.12 21.81 1q82 s ALA 85 CO 0.57 -1.16 1.72 0.78 0.00 0.00 0.00 175.76 177.68 1q82 h GLY 86 N 8.39 1.46 -4.94 0.00 0.00 -1.93 -3.41 103.07 102.64 1q82 h GLY 86 Ca -0.15 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1q82 h GLY 86 CO 0.30 -0.17 -0.43 -1.60 0.00 0.00 0.00 176.54 174.64 1q82 s ARG 87 N -5.92 0.44 -0.13 4.80 3.52 -1.26 -4.90 118.95 115.50 1q82 s ARG 87 Ca -0.12 -0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.39 1q82 s ARG 87 Cb 0.24 0.19 0.04 0.00 -1.56 0.00 0.00 34.95 33.86 1q82 s ARG 87 CO 0.78 -0.10 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.99 1q82 s LEU 88 N -0.80 1.09 -0.14 -0.88 2.96 -1.26 0.78 118.68 120.44 1q82 s LEU 88 Ca -0.09 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1q82 s LEU 88 Cb -0.05 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 45.99 1q82 s LEU 88 CO 0.02 -0.21 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.01 1q82 s GLU 89 N 1.82 3.03 0.23 1.98 2.02 -0.12 -4.98 118.70 122.68 1q82 s GLU 89 Ca 0.02 -0.85 -0.26 0.00 0.02 0.00 0.00 54.97 53.90 1q82 s GLU 89 Cb -0.14 -2.43 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 1q82 s GLU 89 CO -0.07 0.01 0.85 -0.06 0.02 0.00 0.00 175.26 176.00 1q82 s PHE 90 N 0.77 3.84 -0.57 1.61 0.40 -1.25 -0.55 117.98 122.22 1q82 s PHE 90 Ca -0.08 1.70 -0.17 0.00 -0.60 0.00 0.00 56.93 57.78 1q82 s PHE 90 Cb -0.16 -2.83 0.12 0.00 0.51 0.00 0.00 43.02 40.66 1q82 s PHE 90 CO -0.01 0.40 0.60 -0.65 0.70 0.00 0.00 175.22 176.26 1q82 s GLN 91 N -1.51 3.03 0.00 0.44 -0.21 0.66 -4.86 119.66 117.21 1q82 s GLN 91 Ca 0.42 -1.54 0.00 0.00 0.02 0.00 0.00 55.36 54.25 1q82 s GLN 91 Cb -0.22 -4.29 0.00 0.00 1.00 0.00 0.00 33.01 29.50 1q82 s GLN 91 CO 0.26 -1.43 0.00 0.39 -2.12 0.00 0.00 175.29 172.39