#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p84 s PRO 3 N 0.00 2.95 0.37 1.61 0.02 -1.26 -4.96 135.00 133.74 1p84 s PRO 3 Ca 0.00 1.82 -0.28 0.00 0.02 0.00 0.00 61.00 62.56 1p84 s PRO 3 Cb 0.00 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 1p84 s PRO 3 CO 0.00 -1.22 1.45 -2.14 -0.33 0.00 0.00 177.00 174.77 1p84 s PRO 4 N -3.36 4.13 -0.02 5.54 0.02 -1.26 -5.01 135.00 135.05 1p84 s PRO 4 Ca 0.77 2.51 -0.02 0.00 0.02 0.00 0.00 61.00 64.28 1p84 s PRO 4 Cb -0.30 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1p84 s PRO 4 CO 0.33 -0.49 0.13 0.45 -0.33 0.00 0.00 177.00 177.10 1p84 s SER 5 N -0.22 6.07 0.58 2.53 0.15 -1.26 -5.10 113.70 116.45 1p84 s SER 5 Ca 0.52 0.27 -0.19 0.00 0.70 0.00 0.00 55.95 57.26 1p84 s SER 5 Cb -0.45 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1p84 s SER 5 CO 0.61 0.28 1.17 -0.83 1.20 0.00 0.00 173.24 175.67 1p84 s GLY 6 N -1.78 2.64 0.18 9.45 0.00 -1.26 -4.98 107.32 111.57 1p84 s GLY 6 Ca 0.24 0.89 -0.30 0.00 0.00 0.00 0.00 44.72 45.55 1p84 s GLY 6 CO 0.15 1.26 1.21 0.54 0.00 0.00 0.00 173.10 176.27 1p84 s LYS 7 N -3.37 4.48 0.15 2.90 -0.14 -1.26 -5.04 119.74 117.46 1p84 s LYS 7 Ca 0.75 1.88 0.00 0.00 -1.36 0.00 0.00 55.97 57.24 1p84 s LYS 7 Cb -0.27 -3.24 -0.00 0.00 -1.68 0.00 0.00 37.83 32.64 1p84 s LYS 7 CO 0.31 -0.11 0.01 0.25 -0.76 0.00 0.00 175.35 175.06 1p84 n THR 8 N 2.58 0.00 -0.75 2.17 -2.24 -1.26 -5.05 114.28 109.72 1p84 n THR 8 Ca 0.05 -0.75 0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1p84 n THR 8 Cb 0.45 0.19 0.22 0.00 -2.10 0.00 0.00 70.33 69.09 1p84 n THR 8 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1p84 n TYR 9 N -0.36 0.78 -3.75 4.78 4.02 -1.26 -4.94 117.16 116.42 1p84 n TYR 9 Ca -0.05 -0.77 -0.12 0.00 -0.01 0.00 0.00 57.90 56.94 1p84 n TYR 9 Cb 0.20 -0.23 -0.12 0.00 -0.02 0.00 0.00 39.34 39.17 1p84 n TYR 9 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1p84 s MET 10 N -2.29 0.24 0.00 -0.72 1.75 -1.26 -4.95 119.30 112.06 1p84 s MET 10 Ca 0.36 0.46 0.00 0.00 -1.25 0.00 0.00 55.69 55.26 1p84 s MET 10 Cb 0.27 -0.02 0.00 0.00 2.84 0.00 0.00 34.83 37.92 1p84 s MET 10 CO 0.10 -0.11 0.00 0.41 -0.65 0.00 0.00 175.02 174.77 1p84 n GLY 11 N 3.74 1.70 3.44 2.11 0.00 -0.35 -4.99 105.19 110.85 1p84 n GLY 11 Ca -0.20 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1p84 n GLY 11 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1p84 s TRP 12 N 4.14 0.61 -0.45 1.61 -0.11 -1.20 -4.83 118.94 118.71 1p84 s TRP 12 Ca 0.00 -0.93 -0.45 0.00 1.22 0.00 0.00 56.10 55.95 1p84 s TRP 12 Cb 0.00 -0.07 -0.19 0.00 -1.50 0.00 0.00 33.47 31.72 1p84 s TRP 12 CO 0.00 -0.85 1.70 0.91 -4.62 0.00 0.00 176.95 174.09 1p84 n TRP 13 N -0.33 1.77 0.00 5.86 7.02 -1.26 -0.39 117.44 130.11 1p84 n TRP 13 Ca -0.01 0.95 0.00 0.00 -1.02 0.00 0.00 57.50 57.42 1p84 n TRP 13 Cb 0.63 -2.30 0.00 0.00 -2.42 0.00 0.00 31.31 27.23 1p84 n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1p84 n GLY 14 N 4.46 3.15 2.69 6.99 0.00 -1.26 -4.84 105.19 116.38 1p84 n GLY 14 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 1p84 n GLY 14 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1p84 n HIS 15 N -1.66 -1.48 0.29 1.61 1.44 0.47 -4.99 115.22 110.90 1p84 n HIS 15 Ca 0.00 -2.16 0.15 0.00 -2.01 0.00 0.00 57.72 53.70 1p84 n HIS 15 Cb 0.00 1.06 0.92 0.00 0.12 0.00 0.00 29.99 32.09 1p84 n HIS 15 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 1p84 h MET 16 N 2.27 0.00 0.00 -1.40 4.05 -1.68 -3.18 114.93 115.00 1p84 h MET 16 Ca -0.23 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1p84 h MET 16 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1p84 h MET 16 CO 0.09 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.64 1p84 n GLY 17 N -1.32 0.66 3.79 1.39 0.00 -1.26 -1.21 105.19 107.23 1p84 n GLY 17 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1p84 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p84 n GLY 18 N -1.58 -1.41 3.87 -0.02 0.00 -1.26 -5.04 105.19 99.75 1p84 n GLY 18 Ca 0.00 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 1p84 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p84 s PRO 19 N -5.82 3.67 0.06 1.61 0.04 -1.26 -4.97 135.00 128.33 1p84 s PRO 19 Ca 0.74 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1p84 s PRO 19 Cb -0.02 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1p84 s PRO 19 CO 0.52 -0.43 1.79 0.15 0.04 0.00 0.00 177.00 179.06 1p84 s LYS 20 N -4.83 4.16 0.07 4.56 1.02 -1.26 -4.97 119.74 118.49 1p84 s LYS 20 Ca 0.55 2.46 -0.09 0.00 0.02 0.00 0.00 55.97 58.91 1p84 s LYS 20 Cb -0.11 -3.80 -0.06 0.00 -0.52 0.00 0.00 37.83 33.34 1p84 s LYS 20 CO 0.47 -0.84 0.38 -0.65 -0.92 0.00 0.00 175.35 173.78 1p84 s GLN 21 N 3.36 3.72 -0.17 1.68 -0.21 -1.26 -5.09 119.66 121.68 1p84 s GLN 21 Ca 0.80 0.11 -0.28 0.00 0.02 0.00 0.00 55.36 56.01 1p84 s GLN 21 Cb -0.41 -3.00 0.10 0.00 1.00 0.00 0.00 33.01 30.69 1p84 s GLN 21 CO 0.36 0.57 0.84 0.21 -2.12 0.00 0.00 175.29 175.15 1p84 s LYS 22 N -1.94 0.78 0.00 2.91 2.20 -1.26 -4.96 119.74 117.47 1p84 s LYS 22 Ca 0.33 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1p84 s LYS 22 Cb -0.14 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1p84 s LYS 22 CO 0.18 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1p84 n GLY 23 N 1.50 3.18 3.75 5.54 0.00 -1.26 -5.01 105.19 112.88 1p84 n GLY 23 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1p84 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p84 s ILE 24 N -1.79 5.01 -0.11 -0.61 1.01 -1.26 -5.07 121.20 118.38 1p84 s ILE 24 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1p84 s ILE 24 Cb 0.00 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1p84 s ILE 24 CO 0.00 0.37 -0.09 -0.89 0.00 0.00 0.00 174.94 174.33 1p84 s THR 25 N 0.16 1.12 0.10 2.92 2.01 -1.26 -5.14 115.64 115.56 1p84 s THR 25 Ca 0.31 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1p84 s THR 25 Cb -0.17 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1p84 s THR 25 CO 0.15 0.38 0.15 -0.94 -0.69 0.00 0.00 174.62 173.67 1p84 s SER 26 N 1.47 5.84 0.02 3.53 1.04 -1.26 -5.12 113.70 119.22 1p84 s SER 26 Ca 0.01 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.52 1p84 s SER 26 Cb -0.13 -1.65 -0.01 0.00 0.10 0.00 0.00 66.02 64.32 1p84 s SER 26 CO -0.06 0.14 -0.06 -0.31 0.98 0.00 0.00 173.24 173.92 1p84 s TYR 27 N -1.53 0.57 0.10 5.02 1.51 -1.26 -5.16 117.35 116.59 1p84 s TYR 27 Ca 0.32 -0.28 -0.15 0.00 -1.01 0.00 0.00 57.07 55.94 1p84 s TYR 27 Cb -0.12 -0.35 0.03 0.00 -0.11 0.00 0.00 41.96 41.41 1p84 s TYR 27 CO 0.25 -0.04 0.37 0.00 -1.11 0.00 0.00 175.55 175.01 1p84 s ALA 28 N -0.72 -0.84 -0.04 3.71 0.00 -1.26 -5.16 121.76 117.45 1p84 s ALA 28 Ca -0.04 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 51.94 1p84 s ALA 28 Cb -0.06 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1p84 s ALA 28 CO 0.00 -0.57 -0.20 0.08 0.00 0.00 0.00 175.76 175.07 1p84 s VAL 29 N -3.42 1.62 0.30 0.00 1.01 -1.26 -5.11 120.40 113.54 1p84 s VAL 29 Ca 0.01 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1p84 s VAL 29 Cb 0.01 -1.38 -0.13 0.00 0.00 0.00 0.00 36.38 34.89 1p84 s VAL 29 CO -0.09 0.46 1.22 -0.24 0.00 0.00 0.00 175.10 176.45 1p84 n SER 30 N 2.93 2.25 0.29 3.32 2.88 -1.26 -4.85 113.62 119.18 1p84 n SER 30 Ca -0.17 1.19 0.15 0.00 -1.33 0.00 0.00 58.87 58.70 1p84 n SER 30 Cb 0.53 -1.40 0.87 0.00 -0.75 0.00 0.00 64.21 63.45 1p84 n SER 30 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1p84 h PRO 31 N 2.69 0.00 -0.07 -1.46 0.11 -1.99 -1.79 132.00 129.50 1p84 h PRO 31 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 1p84 h PRO 31 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1p84 h PRO 31 CO 0.64 0.05 -0.45 1.88 -0.21 0.00 0.00 178.00 179.91 1p84 h TYR 32 N 0.00 0.18 -0.05 0.65 -1.99 -2.02 -2.96 116.97 110.78 1p84 h TYR 32 Ca -0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1p84 h TYR 32 Cb 0.14 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1p84 h TYR 32 CO 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 178.16 178.74 1p84 n ALA 33 N -2.47 2.55 -2.55 3.88 0.00 -0.68 -4.93 120.51 116.32 1p84 n ALA 33 Ca -0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 1p84 n ALA 33 Cb 0.49 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1p84 n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1p84 s GLN 34 N -1.95 3.63 0.05 0.00 -0.21 -1.12 -5.02 119.66 115.04 1p84 s GLN 34 Ca 0.36 -0.02 -0.33 0.00 0.02 0.00 0.00 55.36 55.38 1p84 s GLN 34 Cb 0.20 -2.68 -0.12 0.00 1.00 0.00 0.00 33.01 31.41 1p84 s GLN 34 CO 0.32 0.26 1.77 1.17 -2.12 0.00 0.00 175.29 176.68 1p84 n LYS 35 N -0.78 2.31 -1.61 2.91 4.81 -1.26 -4.88 118.16 119.66 1p84 n LYS 35 Ca -0.02 0.84 -0.45 0.00 -0.87 0.00 0.00 58.31 57.81 1p84 n LYS 35 Cb 0.54 -2.67 -0.02 0.00 0.02 0.00 0.00 35.03 32.89 1p84 n LYS 35 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1p84 n PRO 36 N 5.32 1.53 -1.51 1.64 -0.04 -1.26 -4.68 135.00 136.00 1p84 n PRO 36 Ca 0.20 0.54 -0.38 0.00 -0.04 0.00 0.00 63.50 63.81 1p84 n PRO 36 Cb 0.31 -2.00 -0.13 0.00 -0.04 0.00 0.00 33.50 31.64 1p84 n PRO 36 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1p84 n LEU 37 N 1.44 0.68 0.00 1.53 4.77 -1.26 -4.12 117.00 120.04 1p84 n LEU 37 Ca 0.10 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1p84 n LEU 37 Cb 0.31 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1p84 n LEU 37 CO 0.61 -1.00 0.00 0.00 -1.33 0.00 0.00 177.39 175.67 1p84 n GLN 38 N 8.45 0.00 0.00 3.23 10.64 -1.26 -4.94 117.38 133.51 1p84 n GLN 38 Ca 0.59 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.84 1p84 n GLN 38 Cb 0.16 0.00 0.47 0.00 -0.86 0.00 0.00 30.24 30.01 1p84 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1p84 n GLY 39 N -0.02 -0.93 2.03 2.61 0.00 -1.26 -4.12 105.19 103.50 1p84 n GLY 39 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1p84 n GLY 39 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p84 n ILE 40 N -0.76 2.90 -3.46 -0.61 5.41 -1.26 -4.30 119.36 117.28 1p84 n ILE 40 Ca 0.12 -1.71 -0.11 0.00 1.00 0.00 0.00 62.75 62.05 1p84 n ILE 40 Cb 0.05 -1.77 -0.02 0.00 -0.71 0.00 0.00 39.64 37.19 1p84 n ILE 40 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1p84 s PHE 41 N -0.02 -0.49 0.00 1.39 2.99 -1.25 -4.65 117.98 115.95 1p84 s PHE 41 Ca 0.52 0.38 0.00 0.00 0.00 0.00 0.00 56.93 57.82 1p84 s PHE 41 Cb 0.28 0.54 0.00 0.00 0.00 0.00 0.00 43.02 43.84 1p84 s PHE 41 CO -0.05 -0.73 0.00 1.58 -0.00 0.00 0.00 175.22 176.02 1p84 n HIS 42 N -0.19 0.00 -0.06 0.36 -0.00 -1.26 -3.80 115.22 110.26 1p84 n HIS 42 Ca -0.15 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 57.98 1p84 n HIS 42 Cb 0.63 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.40 1p84 n HIS 42 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1p84 n ASN 43 N 1.70 1.87 -3.27 0.26 4.13 -1.26 -4.74 115.26 113.96 1p84 n ASN 43 Ca 0.00 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 1p84 n ASN 43 Cb 0.00 0.88 -0.07 0.00 -1.54 0.00 0.00 39.78 39.05 1p84 n ASN 43 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p84 n ALA 44 N -2.43 3.86 0.00 5.41 0.00 -1.25 -4.64 120.51 121.46 1p84 n ALA 44 Ca -0.19 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 48.76 1p84 n ALA 44 Cb 0.87 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1p84 n ALA 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1p84 n VAL 45 N 0.65 0.00 0.15 0.00 3.14 -1.26 -3.82 118.33 117.19 1p84 n VAL 45 Ca 0.29 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.70 1p84 n VAL 45 Cb 0.44 -0.30 0.16 0.00 -1.06 0.00 0.00 33.84 33.08 1p84 n VAL 45 CO 0.00 0.00 0.00 2.19 -6.46 0.00 0.00 176.83 172.56 1p84 h PHE 46 N 0.00 0.00 -0.11 1.45 -5.15 -1.88 -2.96 116.94 108.30 1p84 h PHE 46 Ca 0.00 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.62 1p84 h PHE 46 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 1p84 h PHE 46 CO 0.00 0.50 -0.59 -0.97 -2.00 0.00 0.00 178.31 175.25 1p84 h ASN 47 N 0.00 0.39 -3.60 -0.68 -1.24 -1.89 -3.45 115.58 105.12 1p84 h ASN 47 Ca -0.00 -0.22 -0.42 0.00 0.71 0.00 0.00 56.30 56.36 1p84 h ASN 47 Cb 1.19 -0.11 0.18 0.00 0.73 0.00 0.00 38.32 40.31 1p84 h ASN 47 CO 0.06 0.89 0.15 -0.55 -1.29 0.00 0.00 177.43 176.69 1p84 s SER 48 N -6.91 1.36 0.00 1.15 0.15 -1.12 -3.60 113.70 104.73 1p84 s SER 48 Ca -0.05 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1p84 s SER 48 Cb 0.12 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 1p84 s SER 48 CO 0.81 -3.87 0.00 0.49 1.20 0.00 0.00 173.24 171.87 1p84 n PHE 49 N -4.61 0.00 -0.16 3.44 3.01 -1.26 -4.77 117.46 113.11 1p84 n PHE 49 Ca 0.11 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.45 1p84 n PHE 49 Cb 0.59 -0.71 -0.00 0.00 -0.01 0.00 0.00 39.48 39.34 1p84 n PHE 49 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1p84 h ARG 50 N 0.80 0.97 -1.20 -1.08 9.65 -1.86 -3.11 114.38 118.55 1p84 h ARG 50 Ca 0.00 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 1p84 h ARG 50 Cb 0.00 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1p84 h ARG 50 CO 0.00 1.09 0.00 -2.13 2.80 0.00 0.00 179.97 181.73 1p84 n ARG 51 N -4.13 0.78 0.00 0.20 3.00 -1.26 -2.06 116.66 113.19 1p84 n ARG 51 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1p84 n ARG 51 Cb 0.46 -1.12 0.00 0.00 0.00 0.00 0.00 32.46 31.80 1p84 n ARG 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1p84 n PHE 52 N 0.59 0.00 0.19 -0.14 -0.00 -1.18 -4.69 117.46 112.23 1p84 n PHE 52 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 1p84 n PHE 52 Cb 0.38 0.00 0.13 0.00 -0.00 0.00 0.00 39.48 39.99 1p84 n PHE 52 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1p84 h LYS 53 N 0.00 0.00 0.00 -4.13 3.64 -1.37 -1.41 116.57 113.29 1p84 h LYS 53 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1p84 h LYS 53 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1p84 h LYS 53 CO 0.00 0.00 -1.26 0.43 -2.27 0.00 0.00 179.45 176.36 1p84 n SER 54 N -3.00 0.75 -0.11 4.20 7.64 -1.22 -4.54 113.62 117.35 1p84 n SER 54 Ca 0.03 0.30 -0.14 0.00 1.01 0.00 0.00 58.87 60.08 1p84 n SER 54 Cb 0.54 0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 64.15 1p84 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p84 n GLN 55 N -2.70 0.74 -0.46 1.43 1.13 -1.20 -4.66 117.38 111.66 1p84 n GLN 55 Ca -0.04 0.08 0.42 0.00 -1.94 0.00 0.00 57.00 55.52 1p84 n GLN 55 Cb 0.65 -1.46 0.76 0.00 0.11 0.00 0.00 30.24 30.29 1p84 n GLN 55 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1p84 h PHE 56 N 0.00 0.00 -0.38 1.08 -5.15 -1.49 0.46 116.94 111.46 1p84 h PHE 56 Ca -0.51 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.19 1p84 h PHE 56 Cb 1.91 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.07 1p84 h PHE 56 CO 0.02 0.00 -0.04 -0.07 -2.00 0.00 0.00 178.31 176.22 1p84 h LEU 57 N 0.00 0.70 -2.51 2.10 3.38 -1.86 1.16 115.31 118.27 1p84 h LEU 57 Ca 0.71 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1p84 h LEU 57 Cb 2.94 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 43.50 1p84 h LEU 57 CO -0.01 0.86 -0.01 1.88 0.09 0.00 0.00 178.44 181.25 1p84 h TYR 58 N 0.52 0.00 0.00 1.13 -1.99 -1.21 -2.01 116.97 113.40 1p84 h TYR 58 Ca 0.10 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 60.42 1p84 h TYR 58 Cb 0.53 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.19 1p84 h TYR 58 CO 0.04 0.01 -2.50 0.28 -0.00 0.00 0.00 178.16 175.99 1p84 n VAL 59 N -3.18 1.50 -0.01 -2.88 0.31 -0.91 -4.47 118.33 108.70 1p84 n VAL 59 Ca -0.02 -0.51 -0.12 0.00 -0.01 0.00 0.00 64.34 63.68 1p84 n VAL 59 Cb 0.14 -1.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.43 1p84 n VAL 59 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1p84 h LEU 60 N -0.32 0.09 0.23 7.52 -0.00 0.15 -2.19 115.31 120.79 1p84 h LEU 60 Ca -0.62 -0.23 -0.00 0.00 -0.00 0.00 0.00 57.88 57.03 1p84 h LEU 60 Cb 1.81 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 42.44 1p84 h LEU 60 CO -0.20 0.30 -0.18 0.40 -0.00 0.00 0.00 178.44 178.76 1p84 h ILE 61 N -0.12 0.62 -0.16 1.22 2.04 -1.58 0.74 117.51 120.27 1p84 h ILE 61 Ca 0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1p84 h ILE 61 Cb 0.24 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1p84 h ILE 61 CO 0.00 0.00 0.02 -0.65 0.00 0.00 0.00 178.15 177.52 1p84 h PRO 62 N -0.42 0.23 0.13 2.37 0.11 -1.78 0.92 132.00 133.56 1p84 h PRO 62 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1p84 h PRO 62 Cb 0.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1p84 h PRO 62 CO -0.01 0.24 -0.06 0.00 -0.21 0.00 0.00 178.00 177.96 1p84 h ALA 63 N 1.80 -0.18 -0.21 -0.75 0.00 -0.90 -2.29 119.26 116.72 1p84 h ALA 63 Ca 0.06 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1p84 h ALA 63 Cb 0.13 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1p84 h ALA 63 CO -0.00 -0.38 -0.20 0.78 0.00 0.00 0.00 179.25 179.46 1p84 h GLY 64 N -0.63 -0.09 0.07 0.00 0.00 0.10 0.27 103.07 102.79 1p84 h GLY 64 Ca -0.02 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.64 1p84 h GLY 64 CO 0.03 -0.18 -0.17 -2.22 0.00 0.00 0.00 176.54 174.00 1p84 h ILE 65 N -0.21 0.46 -0.00 2.60 2.04 -0.87 -0.96 117.51 120.57 1p84 h ILE 65 Ca 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 1p84 h ILE 65 Cb 0.40 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1p84 h ILE 65 CO -0.33 0.00 -0.44 1.88 0.00 0.00 0.00 178.15 179.25 1p84 h TYR 66 N -0.10 0.01 -0.21 1.37 -1.99 -0.73 -2.48 116.97 112.84 1p84 h TYR 66 Ca 0.19 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.82 1p84 h TYR 66 Cb 0.40 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.12 1p84 h TYR 66 CO -0.41 0.45 -0.25 2.35 -0.00 0.00 0.00 178.16 180.29 1p84 h TRP 67 N 0.00 0.66 -0.62 4.88 7.01 0.75 -2.14 115.95 126.50 1p84 h TRP 67 Ca -0.00 -0.21 -0.08 0.00 2.11 0.00 0.00 58.89 60.71 1p84 h TRP 67 Cb 0.79 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.69 1p84 h TRP 67 CO 0.00 0.91 0.08 1.88 -2.79 0.00 0.00 178.44 178.52 1p84 h TYR 68 N 0.22 1.07 -0.68 2.65 0.05 -1.21 -0.20 116.97 118.87 1p84 h TYR 68 Ca 0.03 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1p84 h TYR 68 Cb 0.82 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 1p84 h TYR 68 CO 0.08 0.92 0.37 2.35 -1.05 0.00 0.00 178.16 180.82 1p84 h TRP 69 N 0.95 0.94 -0.10 4.88 7.01 -1.42 0.22 115.95 128.42 1p84 h TRP 69 Ca 0.19 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 1p84 h TRP 69 Cb 0.43 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1p84 h TRP 69 CO 0.03 0.67 -0.01 2.35 -2.79 0.00 0.00 178.44 178.69 1p84 h TRP 70 N 0.93 0.21 -0.88 2.65 2.91 -1.03 -2.60 115.95 118.14 1p84 h TRP 70 Ca 0.24 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.22 1p84 h TRP 70 Cb 0.05 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.61 1p84 h TRP 70 CO -0.00 0.47 0.56 0.87 -1.03 0.00 0.00 178.44 179.30 1p84 h LYS 71 N -0.11 1.18 0.56 2.65 1.79 -0.81 -1.62 116.57 120.22 1p84 h LYS 71 Ca 0.03 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1p84 h LYS 71 Cb 0.39 -0.26 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1p84 h LYS 71 CO 0.01 0.80 -0.27 -0.97 -1.08 0.00 0.00 179.45 177.94 1p84 h ASN 72 N 1.21 -0.64 -0.10 0.86 -0.73 -0.92 -1.93 115.58 113.33 1p84 h ASN 72 Ca 0.32 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.46 1p84 h ASN 72 Cb -0.10 0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 1p84 h ASN 72 CO -0.07 -0.36 0.07 1.23 -0.37 0.00 0.00 177.43 177.93 1p84 h GLY 73 N -0.90 0.13 0.49 1.57 0.00 -1.35 -1.88 103.07 101.13 1p84 h GLY 73 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1p84 h GLY 73 CO 0.13 0.05 -0.05 -0.57 0.00 0.00 0.00 176.54 176.10 1p84 h ASN 74 N 0.12 -0.11 -0.14 0.19 -1.24 -1.18 -2.08 115.58 111.14 1p84 h ASN 74 Ca 0.04 -0.41 0.02 0.00 0.71 0.00 0.00 56.30 56.66 1p84 h ASN 74 Cb 0.00 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1p84 h ASN 74 CO -0.01 0.38 0.09 -0.33 -1.29 0.00 0.00 177.43 176.28 1p84 h GLU 75 N -0.64 0.12 -0.30 6.67 5.08 -1.11 -0.74 114.58 123.66 1p84 h GLU 75 Ca -0.01 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 1p84 h GLU 75 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1p84 h GLU 75 CO 0.02 0.08 -0.54 -0.92 -1.00 0.00 0.00 179.01 176.65 1p84 h TYR 76 N 0.12 1.10 -0.43 4.33 3.20 -1.31 -2.51 116.97 121.47 1p84 h TYR 76 Ca 0.06 -0.39 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 1p84 h TYR 76 Cb 0.08 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1p84 h TYR 76 CO -0.00 1.22 0.21 -0.97 -1.64 0.00 0.00 178.16 176.98 1p84 h ASN 77 N 0.68 0.56 -0.42 -2.11 -0.73 -0.44 -1.28 115.58 111.83 1p84 h ASN 77 Ca 0.02 -0.12 0.03 0.00 1.87 0.00 0.00 56.30 58.10 1p84 h ASN 77 Cb 1.15 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 39.56 1p84 h ASN 77 CO 0.12 0.52 0.22 -0.08 -0.37 0.00 0.00 177.43 177.84 1p84 h GLU 78 N 0.55 0.44 0.06 6.67 4.81 -1.25 -2.45 114.58 123.41 1p84 h GLU 78 Ca 0.15 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1p84 h GLU 78 Cb 0.11 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1p84 h GLU 78 CO -0.02 0.29 -0.03 0.35 -0.73 0.00 0.00 179.01 178.87 1p84 h PHE 79 N 0.45 -0.08 -0.91 0.92 3.57 -1.20 -2.72 116.94 116.97 1p84 h PHE 79 Ca 0.18 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.88 1p84 h PHE 79 Cb 0.07 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 1p84 h PHE 79 CO -0.09 0.02 0.60 -0.07 -2.23 0.00 0.00 178.31 176.54 1p84 h LEU 80 N -0.16 0.45 -2.24 0.59 3.38 -0.93 -1.41 115.31 115.00 1p84 h LEU 80 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1p84 h LEU 80 Cb 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1p84 h LEU 80 CO 0.01 0.18 0.00 -1.22 0.09 0.00 0.00 178.44 177.51 1p84 n TYR 81 N -4.53 0.70 -2.51 1.13 4.02 -0.95 -3.95 117.16 111.06 1p84 n TYR 81 Ca 0.19 -0.35 -0.15 0.00 -0.01 0.00 0.00 57.90 57.58 1p84 n TYR 81 Cb 0.67 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.07 1p84 n TYR 81 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1p84 n SER 82 N 1.32 0.92 0.04 7.72 3.41 -0.53 -4.98 113.62 121.51 1p84 n SER 82 Ca 0.20 -1.76 -0.13 0.00 -0.26 0.00 0.00 58.87 56.92 1p84 n SER 82 Cb 0.54 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1p84 n SER 82 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1p84 h LYS 83 N 0.00 -0.14 -1.05 4.33 3.64 -1.91 -3.17 116.57 118.27 1p84 h LYS 83 Ca -0.22 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.45 1p84 h LYS 83 Cb 0.81 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.58 1p84 h LYS 83 CO 0.23 0.27 0.70 0.00 -2.27 0.00 0.00 179.45 178.39 1p84 h ALA 84 N 0.23 2.46 -0.46 5.00 0.00 -1.96 -2.06 119.26 122.48 1p84 h ALA 84 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p84 h ALA 84 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1p84 h ALA 84 CO 0.02 -0.84 0.00 0.41 0.00 0.00 0.00 179.25 178.84 1p84 n GLY 85 N -1.55 1.90 0.27 0.00 0.00 -1.23 -4.45 105.19 100.14 1p84 n GLY 85 Ca 0.25 -0.74 0.19 0.00 0.00 0.00 0.00 46.02 45.71 1p84 n GLY 85 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1p84 h ARG 86 N 4.34 0.00 0.00 1.61 0.11 -1.34 0.72 114.38 119.83 1p84 h ARG 86 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1p84 h ARG 86 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1p84 h ARG 86 CO 0.00 0.00 -0.00 1.49 0.10 0.00 0.00 179.97 181.56 1p84 h GLU 87 N 0.00 -0.00 0.00 0.08 4.81 -1.81 -3.09 114.58 114.57 1p84 h GLU 87 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1p84 h GLU 87 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1p84 h GLU 87 CO 0.00 0.91 -0.28 1.49 -0.73 0.00 0.00 179.01 180.40 1p84 h GLU 88 N -0.97 0.00 -0.76 1.92 4.81 -1.71 -2.70 114.58 115.17 1p84 h GLU 88 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1p84 h GLU 88 Cb 0.91 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1p84 h GLU 88 CO 0.00 0.28 0.32 1.25 -0.73 0.00 0.00 179.01 180.13 1p84 h LEU 89 N 0.00 1.03 -1.39 1.64 7.12 -0.94 -1.10 115.31 121.67 1p84 h LEU 89 Ca -0.00 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.85 1p84 h LEU 89 Cb 0.56 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 1p84 h LEU 89 CO 0.04 0.91 0.00 -0.33 -0.13 0.00 0.00 178.44 178.93 1p84 h GLU 90 N 1.09 0.00 0.00 1.25 5.08 -1.39 -0.36 114.58 120.24 1p84 h GLU 90 Ca 0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1p84 h GLU 90 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1p84 h GLU 90 CO -0.02 0.00 -0.18 -0.09 -1.00 0.00 0.00 179.01 177.71 1p84 h ARG 91 N 0.00 0.00 0.00 2.33 2.43 -1.22 -3.39 114.38 114.53 1p84 h ARG 91 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1p84 h ARG 91 Cb 0.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1p84 h ARG 91 CO 0.00 0.80 -0.79 -0.39 -1.51 0.00 0.00 179.97 178.08 1p84 h VAL 92 N -1.00 0.82 0.00 0.20 -1.51 -1.24 -3.43 116.25 110.09 1p84 h VAL 92 Ca -0.05 -2.23 0.00 0.00 -1.23 0.00 0.00 66.70 63.19 1p84 h VAL 92 Cb 0.85 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 1p84 h VAL 92 CO -0.03 0.47 0.00 -3.20 -1.23 0.00 0.00 177.57 173.58 1p84 n ASN 93 N -3.14 0.00 0.00 4.19 5.15 -0.15 -5.10 115.26 116.21 1p84 n ASN 93 Ca -0.01 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.03 1p84 n ASN 93 Cb 0.78 0.00 0.38 0.00 -0.53 0.00 0.00 39.78 40.41 1p84 n ASN 93 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18