#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b22 s GLU 17 N 0.00 2.29 -0.72 3.49 -1.05 -1.26 -5.02 118.70 116.44 1b22 s GLU 17 Ca 0.00 -0.57 -0.00 0.00 -0.15 0.00 0.00 54.97 54.25 1b22 s GLU 17 Cb 0.00 -2.04 0.39 0.00 -0.44 0.00 0.00 34.13 32.04 1b22 s GLU 17 CO 0.00 -0.16 1.82 0.39 0.95 0.00 0.00 175.26 178.25 1b22 n GLU 18 N 4.54 2.91 -2.41 -4.83 4.71 -1.26 -5.01 120.64 119.29 1b22 n GLU 18 Ca -0.18 -3.70 -0.41 0.00 -0.01 0.00 0.00 57.16 52.87 1b22 n GLU 18 Cb 0.50 -2.27 -0.04 0.00 -1.01 0.00 0.00 31.44 28.63 1b22 n GLU 18 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1b22 s SER 19 N -1.79 7.15 0.00 1.62 0.15 -1.26 -4.82 113.70 114.75 1b22 s SER 19 Ca 0.53 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.46 1b22 s SER 19 Cb 0.44 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1b22 s SER 19 CO -0.29 -0.28 0.00 0.33 1.20 0.00 0.00 173.24 174.21 1b22 n PHE 20 N 1.82 0.00 0.00 3.44 7.35 -1.26 -5.13 117.46 123.68 1b22 n PHE 20 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1b22 n PHE 20 Cb 0.45 0.25 0.00 0.00 0.35 0.00 0.00 39.48 40.52 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1b22 n GLY 21 N 2.22 4.41 0.00 7.13 0.00 -1.26 -5.16 105.19 112.53 1b22 n GLY 21 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1b22 n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b22 n PRO 22 N 0.00 0.87 -2.75 1.61 -0.04 -1.26 -5.05 135.00 128.37 1b22 n PRO 22 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1b22 n PRO 22 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1b22 n PRO 22 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1b22 n GLN 23 N -0.13 1.13 -0.48 0.54 1.13 -1.26 -4.91 117.38 113.39 1b22 n GLN 23 Ca 0.00 -2.64 -0.16 0.00 -1.94 0.00 0.00 57.00 52.26 1b22 n GLN 23 Cb 0.00 -0.87 -0.02 0.00 0.11 0.00 0.00 30.24 29.46 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1b22 n PRO 24 N -0.16 1.21 0.00 -1.09 -0.04 -1.26 -0.90 135.00 132.76 1b22 n PRO 24 Ca 0.07 -1.10 0.11 0.00 -0.04 0.00 0.00 63.50 62.53 1b22 n PRO 24 Cb 0.80 -2.31 0.63 0.00 -0.04 0.00 0.00 33.50 32.58 1b22 n PRO 24 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1b22 n ILE 25 N 4.69 0.12 0.00 0.52 -6.64 -1.26 -4.22 119.36 112.56 1b22 n ILE 25 Ca 0.28 0.03 0.00 0.00 -1.77 0.00 0.00 62.75 61.29 1b22 n ILE 25 Cb 0.10 -0.67 0.00 0.00 -1.44 0.00 0.00 39.64 37.63 1b22 n ILE 25 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1b22 n SER 26 N -1.10 0.00 0.25 7.28 2.88 -1.25 0.74 113.62 122.42 1b22 n SER 26 Ca 0.15 0.61 0.17 0.00 -1.33 0.00 0.00 58.87 58.46 1b22 n SER 26 Cb 0.11 -0.11 0.89 0.00 -0.75 0.00 0.00 64.21 64.35 1b22 n SER 26 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1b22 h ARG 27 N 0.00 0.00 0.00 -1.46 2.47 -1.88 0.84 114.38 114.35 1b22 h ARG 27 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1b22 h ARG 27 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1b22 h ARG 27 CO 0.00 0.00 -0.00 -0.07 0.56 0.00 0.00 179.97 180.46 1b22 h LEU 28 N 0.00 -0.00 0.00 3.04 -0.00 -0.83 -2.82 115.31 114.70 1b22 h LEU 28 Ca 0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.69 1b22 h LEU 28 Cb 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.91 1b22 h LEU 28 CO -0.00 -0.00 -1.23 1.05 -0.00 0.00 0.00 178.44 178.26 1b22 h GLU 29 N -0.00 0.00 -0.00 1.13 -0.00 0.36 -2.42 114.58 113.64 1b22 h GLU 29 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 59.18 1b22 h GLU 29 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 1b22 h GLU 29 CO 0.00 0.82 -0.81 0.37 -0.00 0.00 0.00 179.01 179.39 1b22 h GLN 30 N 0.00 0.10 0.00 1.06 -0.00 0.74 -3.01 115.11 114.00 1b22 h GLN 30 Ca -0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 1b22 h GLN 30 Cb 1.84 0.03 0.00 0.00 0.00 0.00 0.00 27.48 29.35 1b22 h GLN 30 CO 0.11 0.85 -0.05 0.00 0.00 0.00 0.00 178.83 179.74 1b22 n GLY 32 N 1.45 0.45 0.00 0.00 0.00 -1.14 -5.04 105.19 100.91 1b22 n GLY 32 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1b22 n GLY 32 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1b22 n ILE 33 N 0.00 0.00 -0.23 -0.61 0.13 -0.92 -4.92 119.36 112.81 1b22 n ILE 33 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1b22 n ILE 33 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1b22 n ILE 33 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1b22 n ASN 34 N 0.00 0.00 -0.29 9.51 0.23 -1.26 -4.77 115.26 118.68 1b22 n ASN 34 Ca 0.00 0.00 0.22 0.00 -0.53 0.00 0.00 54.58 54.27 1b22 n ASN 34 Cb 0.00 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.23 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1b22 h ALA 35 N -1.71 2.29 -1.19 -2.53 0.00 -1.97 -2.05 119.26 112.10 1b22 h ALA 35 Ca 0.00 0.04 0.40 0.00 0.00 0.00 0.00 54.91 55.34 1b22 h ALA 35 Cb 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 1b22 h ALA 35 CO 0.00 -0.64 0.79 0.09 0.00 0.00 0.00 179.25 179.48 1b22 n ASN 36 N -4.55 0.14 0.00 0.00 3.02 -1.26 -1.26 115.26 111.35 1b22 n ASN 36 Ca 0.23 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.84 1b22 n ASN 36 Cb 0.84 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1b22 n ASN 36 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1b22 n ASP 37 N -4.16 0.00 0.06 6.41 8.00 -0.77 0.20 116.55 126.28 1b22 n ASP 37 Ca 0.33 1.00 -0.13 0.00 0.71 0.00 0.00 54.79 56.70 1b22 n ASP 37 Cb 1.32 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 41.84 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1b22 h VAL 38 N 0.00 1.06 0.07 2.53 2.07 -1.45 -2.94 116.25 117.59 1b22 h VAL 38 Ca 0.00 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1b22 h VAL 38 Cb 0.00 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1b22 h VAL 38 CO 0.00 0.15 -0.03 0.11 0.02 0.00 0.00 177.57 177.82 1b22 h LYS 39 N -0.43 -0.09 -0.47 1.57 1.57 -1.32 -2.85 116.57 114.55 1b22 h LYS 39 Ca -0.01 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1b22 h LYS 39 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1b22 h LYS 39 CO 0.02 0.47 -0.25 0.87 -0.57 0.00 0.00 179.45 180.00 1b22 h LYS 40 N -0.91 1.00 0.08 3.15 1.79 0.21 -3.14 116.57 118.75 1b22 h LYS 40 Ca -0.01 -0.45 -0.36 0.00 -2.18 0.00 0.00 60.65 57.66 1b22 h LYS 40 Cb 0.60 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 1b22 h LYS 40 CO 0.01 1.12 -2.02 1.47 -1.08 0.00 0.00 179.45 178.95 1b22 n LEU 41 N -4.10 2.26 0.12 2.94 -0.00 -0.29 -2.74 117.00 115.19 1b22 n LEU 41 Ca -0.00 0.19 -0.24 0.00 -0.00 0.00 0.00 56.01 55.97 1b22 n LEU 41 Cb 0.48 -0.79 -0.15 0.00 -0.00 0.00 0.00 43.42 42.96 1b22 n LEU 41 CO 0.47 0.77 -0.15 -0.08 -0.00 0.00 0.00 177.39 178.40 1b22 h GLU 42 N 0.05 0.55 -0.82 1.47 4.81 -1.50 -1.94 114.58 117.18 1b22 h GLU 42 Ca -0.42 -0.85 0.24 0.00 -0.13 0.00 0.00 59.36 58.19 1b22 h GLU 42 Cb 2.02 0.31 -0.03 0.00 0.63 0.00 0.00 28.75 31.68 1b22 h GLU 42 CO 0.06 1.40 1.17 -0.85 -0.73 0.00 0.00 179.01 180.06 1b22 n GLU 43 N -3.80 0.02 0.03 1.92 0.00 -1.19 -4.34 120.64 113.28 1b22 n GLU 43 Ca -0.16 1.00 0.00 0.00 0.00 0.00 0.00 57.16 58.00 1b22 n GLU 43 Cb 1.03 -2.52 0.00 0.00 0.00 0.00 0.00 31.44 29.96 1b22 n GLU 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1b22 n ALA 44 N -2.08 0.00 0.00 -1.84 0.00 -1.23 -5.03 120.51 110.32 1b22 n ALA 44 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1b22 n ALA 44 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.87 1b22 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b22 n GLY 45 N -1.13 0.00 0.00 0.00 0.00 -0.73 -5.01 105.19 98.32 1b22 n GLY 45 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1b22 n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b22 n PHE 46 N 0.00 0.00 -0.55 1.61 3.01 -1.11 -4.52 117.46 115.90 1b22 n PHE 46 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 1b22 n PHE 46 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.38 1b22 n PHE 46 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1b22 n HIS 47 N -0.85 0.40 0.00 1.38 1.44 -1.25 -4.34 115.22 112.00 1b22 n HIS 47 Ca 0.08 -0.80 0.00 0.00 -2.01 0.00 0.00 57.72 54.99 1b22 n HIS 47 Cb 0.04 -0.94 0.00 0.00 0.12 0.00 0.00 29.99 29.20 1b22 n HIS 47 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1b22 n THR 48 N 6.40 0.00 -0.48 0.61 5.66 -1.26 -3.92 114.28 121.29 1b22 n THR 48 Ca 0.40 0.00 0.37 0.00 -3.05 0.00 0.00 64.05 61.78 1b22 n THR 48 Cb 0.34 0.00 0.58 0.00 -1.55 0.00 0.00 70.33 69.70 1b22 n THR 48 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1b22 n VAL 49 N -0.30 0.00 -0.49 1.08 0.24 -0.08 -1.36 118.33 117.42 1b22 n VAL 49 Ca 0.00 1.11 0.39 0.00 -2.04 0.00 0.00 64.34 63.80 1b22 n VAL 49 Cb 0.00 -1.88 0.60 0.00 -1.47 0.00 0.00 33.84 31.10 1b22 n VAL 49 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1b22 n GLU 50 N -3.34 0.00 -1.02 7.34 4.07 -1.26 -3.13 120.64 123.30 1b22 n GLU 50 Ca 0.31 0.88 -0.41 0.00 -0.06 0.00 0.00 57.16 57.88 1b22 n GLU 50 Cb 1.49 -2.06 -0.06 0.00 -0.06 0.00 0.00 31.44 30.75 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1b22 n ALA 51 N -2.60 3.08 -1.00 4.31 0.00 -0.46 -3.76 120.51 120.07 1b22 n ALA 51 Ca 0.33 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.68 1b22 n ALA 51 Cb 1.57 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1b22 n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b22 n VAL 52 N 5.97 0.00 -0.00 0.00 0.31 -1.18 -4.78 118.33 118.64 1b22 n VAL 52 Ca 0.48 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.83 1b22 n VAL 52 Cb 0.38 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.27 1b22 n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b22 n ALA 53 N -1.39 2.17 0.27 3.52 0.00 -1.26 -4.55 120.51 119.27 1b22 n ALA 53 Ca 0.00 -0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.48 1b22 n ALA 53 Cb 0.00 -0.15 0.90 0.00 0.00 0.00 0.00 19.45 20.20 1b22 n ALA 53 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1b22 h TYR 54 N 0.00 0.00 -1.15 0.00 -1.99 -1.92 -3.42 116.97 108.49 1b22 h TYR 54 Ca -0.01 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.90 1b22 h TYR 54 Cb 0.32 0.00 -0.31 0.00 2.00 0.00 0.00 36.73 38.75 1b22 h TYR 54 CO 0.00 0.00 0.83 0.00 -0.00 0.00 0.00 178.16 178.99 1b22 s ALA 55 N -4.33 -2.16 -0.06 3.88 0.00 -1.26 -5.11 121.76 112.71 1b22 s ALA 55 Ca -0.04 1.74 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 1b22 s ALA 55 Cb 0.12 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1b22 s ALA 55 CO 0.42 -0.15 1.46 -1.25 0.00 0.00 0.00 175.76 176.24 1b22 s PRO 56 N -0.20 4.23 0.51 0.00 0.04 -1.26 -4.42 135.00 133.90 1b22 s PRO 56 Ca 0.07 1.97 0.44 0.00 0.04 0.00 0.00 61.00 63.52 1b22 s PRO 56 Cb -0.04 -3.78 1.63 0.00 0.04 0.00 0.00 34.50 32.35 1b22 s PRO 56 CO -0.12 -0.71 1.52 1.63 0.04 0.00 0.00 177.00 179.36 1b22 n LYS 57 N 6.36 -0.01 0.21 4.56 4.01 -1.26 0.25 118.16 132.28 1b22 n LYS 57 Ca 0.15 1.11 0.09 0.00 -0.51 0.00 0.00 58.31 59.14 1b22 n LYS 57 Cb 0.44 -2.44 0.44 0.00 -0.51 0.00 0.00 35.03 32.96 1b22 n LYS 57 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1b22 h LYS 58 N 0.00 0.00 0.00 1.97 1.79 -1.91 -2.79 116.57 115.63 1b22 h LYS 58 Ca 0.90 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.36 1b22 h LYS 58 Cb 3.44 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 34.09 1b22 h LYS 58 CO -0.14 0.26 -0.10 1.49 -1.08 0.00 0.00 179.45 179.88 1b22 h GLU 59 N 0.00 0.00 0.11 3.15 4.81 0.30 -2.90 114.58 120.05 1b22 h GLU 59 Ca -0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1b22 h GLU 59 Cb 0.77 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1b22 h GLU 59 CO 0.03 0.36 -0.42 1.25 -0.73 0.00 0.00 179.01 179.51 1b22 h LEU 60 N -1.00 -1.26 -1.69 1.64 5.85 -1.60 0.25 115.31 117.50 1b22 h LEU 60 Ca -0.02 0.13 0.35 0.00 0.84 0.00 0.00 57.88 59.18 1b22 h LEU 60 Cb 0.42 0.46 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 1b22 h LEU 60 CO -0.01 -0.45 0.83 0.16 -0.34 0.00 0.00 178.44 178.63 1b22 h ILE 61 N -0.61 0.37 0.00 4.05 -0.00 -1.66 1.56 117.51 121.22 1b22 h ILE 61 Ca -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 64.80 1b22 h ILE 61 Cb 0.61 0.21 0.00 0.00 -0.00 0.00 0.00 36.82 37.64 1b22 h ILE 61 CO -0.22 0.03 0.32 -3.20 -0.00 0.00 0.00 178.15 175.08 1b22 n ASN 62 N -4.40 0.28 0.00 2.16 2.85 0.88 -0.82 115.26 116.21 1b22 n ASN 62 Ca 0.29 0.50 0.00 0.00 -0.11 0.00 0.00 54.58 55.26 1b22 n ASN 62 Cb 1.20 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.78 1b22 n ASN 62 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1b22 n ILE 63 N -1.94 0.00 0.20 -1.44 5.41 0.53 -3.20 119.36 118.92 1b22 n ILE 63 Ca -0.01 0.56 0.16 0.00 1.00 0.00 0.00 62.75 64.47 1b22 n ILE 63 Cb 0.34 -1.53 0.79 0.00 -0.71 0.00 0.00 39.64 38.53 1b22 n ILE 63 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1b22 h LYS 64 N 0.00 0.00 0.00 0.38 1.79 -1.77 -3.44 116.57 113.53 1b22 h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1b22 h LYS 64 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1b22 h LYS 64 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1b22 n GLY 65 N -1.45 1.86 0.00 3.86 0.00 -0.27 -5.13 105.19 104.06 1b22 n GLY 65 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1b22 n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b22 n ILE 66 N -0.34 0.00 0.00 -0.61 -0.00 0.00 -4.88 119.36 113.53 1b22 n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1b22 n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1b22 n ILE 66 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1b22 n SER 67 N 0.00 0.00 0.24 4.38 2.88 -1.26 -4.45 113.62 115.41 1b22 n SER 67 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1b22 n SER 67 Cb 0.00 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 1b22 n SER 67 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1b22 h GLU 68 N 0.00 0.00 0.00 -1.46 3.07 -1.95 -2.97 114.58 111.27 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1b22 n ALA 69 N -1.75 0.00 0.04 3.43 0.00 -1.26 0.13 120.51 121.09 1b22 n ALA 69 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1b22 n ALA 69 Cb 0.28 0.18 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 1b22 n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1b22 h LYS 70 N 0.00 0.30 -0.03 0.00 1.79 -1.97 -3.12 116.57 113.53 1b22 h LYS 70 Ca 0.00 -0.50 0.03 0.00 -2.18 0.00 0.00 60.65 58.00 1b22 h LYS 70 Cb 0.00 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 30.78 1b22 h LYS 70 CO 0.00 1.20 -0.43 0.00 -1.08 0.00 0.00 179.45 179.13 1b22 h ALA 71 N 0.20 -0.68 -0.24 3.86 0.00 -1.53 -1.95 119.26 118.92 1b22 h ALA 71 Ca -0.37 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1b22 h ALA 71 Cb 2.06 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 20.61 1b22 h ALA 71 CO 0.13 -0.97 0.12 0.22 0.00 0.00 0.00 179.25 178.76 1b22 h ASP 72 N -0.57 0.19 -1.07 0.00 3.58 -0.48 -1.27 116.42 116.80 1b22 h ASP 72 Ca 0.05 0.01 0.31 0.00 0.42 0.00 0.00 57.03 57.82 1b22 h ASP 72 Cb 0.66 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 1b22 h ASP 72 CO -0.34 0.14 0.94 0.50 -2.88 0.00 0.00 179.24 177.60 1b22 h LYS 73 N 0.26 0.00 0.10 0.28 1.63 -1.31 0.17 116.57 117.71 1b22 h LYS 73 Ca 0.10 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.76 1b22 h LYS 73 Cb 0.02 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1b22 h LYS 73 CO -0.06 0.00 -0.61 0.97 -3.45 0.00 0.00 179.45 176.30 1b22 h ILE 74 N 0.00 1.58 -0.16 2.00 -0.00 -0.63 -3.11 117.51 117.20 1b22 h ILE 74 Ca 0.51 -2.49 0.05 0.00 -0.00 0.00 0.00 64.86 62.93 1b22 h ILE 74 Cb 2.38 3.25 -0.01 0.00 -0.00 0.00 0.00 36.82 42.44 1b22 h ILE 74 CO -0.01 0.69 0.31 -0.07 -0.00 0.00 0.00 178.15 179.08 1b22 h LEU 75 N -0.54 0.00 0.00 2.19 3.38 -0.52 0.28 115.31 120.10 1b22 h LEU 75 Ca -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1b22 h LEU 75 Cb 1.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1b22 h LEU 75 CO 0.11 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.41 1b22 h ALA 76 N 1.52 0.04 0.00 1.53 0.00 -1.49 -3.06 119.26 117.79 1b22 h ALA 76 Ca 0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1b22 h ALA 76 Cb 0.70 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1b22 h ALA 76 CO -0.00 0.14 -0.29 0.93 0.00 0.00 0.00 179.25 180.03 1b22 h GLU 77 N -1.00 0.00 -0.00 0.00 4.39 -1.34 -2.25 114.58 114.38 1b22 h GLU 77 Ca -0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1b22 h GLU 77 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1b22 h GLU 77 CO -0.03 0.29 -0.02 0.00 -1.16 0.00 0.00 179.01 178.09 1b22 h ALA 78 N 1.71 0.01 0.00 3.43 0.00 -0.61 -0.67 119.26 123.13 1b22 h ALA 78 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1b22 h ALA 78 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1b22 h ALA 78 CO 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1b22 h ALA 79 N 0.38 1.00 0.00 0.00 0.00 -1.53 0.17 119.26 119.27 1b22 h ALA 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b22 h ALA 79 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1b22 h ALA 79 CO 0.00 0.00 -1.49 1.63 0.00 0.00 0.00 179.25 179.39 1b22 n LYS 80 N -2.56 0.57 -0.03 0.00 5.02 -0.85 -4.30 118.16 116.01 1b22 n LYS 80 Ca 0.02 -0.05 -0.07 0.00 -2.02 0.00 0.00 58.31 56.19 1b22 n LYS 80 Cb 0.31 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1b22 n LEU 81 N -2.34 0.58 -3.42 -0.35 7.94 -0.26 -4.86 117.00 114.29 1b22 n LEU 81 Ca -0.02 0.08 -0.28 0.00 -1.11 0.00 0.00 56.01 54.68 1b22 n LEU 81 Cb 0.54 -0.20 -0.07 0.00 0.53 0.00 0.00 43.42 44.21 1b22 n LEU 81 CO 0.43 0.16 0.15 0.55 -1.11 0.00 0.00 177.39 177.57 1b22 n VAL 82 N -3.28 2.61 0.04 1.96 3.14 0.57 -4.88 118.33 118.49 1b22 n VAL 82 Ca -0.13 -5.30 -0.04 0.00 -2.96 0.00 0.00 64.34 55.91 1b22 n VAL 82 Cb 0.60 -2.05 -0.02 0.00 -1.06 0.00 0.00 33.84 31.30 1b22 n VAL 82 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1b22 h PRO 83 N 4.17 -0.21 -2.57 1.45 0.13 -1.73 -3.42 132.00 129.82 1b22 h PRO 83 Ca 0.20 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.64 1b22 h PRO 83 Cb 0.65 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.74 1b22 h PRO 83 CO 0.87 -0.08 -0.46 -1.33 -0.23 0.00 0.00 178.00 176.77 1b22 n MET 84 N -4.91 -2.30 0.00 0.86 2.81 -1.26 -4.35 117.12 107.96 1b22 n MET 84 Ca -0.03 1.56 0.00 0.00 -1.81 0.00 0.00 57.70 57.41 1b22 n MET 84 Cb 0.11 -2.82 0.00 0.00 -0.71 0.00 0.00 33.22 29.81 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89