#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b22 n GLU 17 N 0.00 0.44 -0.08 3.49 2.13 -1.26 -5.15 120.64 120.22 1b22 n GLU 17 Ca 0.00 -0.54 -0.04 0.00 0.66 0.00 0.00 57.16 57.25 1b22 n GLU 17 Cb 0.00 0.29 0.03 0.00 0.27 0.00 0.00 31.44 32.04 1b22 n GLU 17 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1b22 n GLU 18 N -0.51 -0.82 -0.85 5.31 4.71 -1.26 -4.91 120.64 122.30 1b22 n GLU 18 Ca -0.10 -0.17 -0.29 0.00 -0.01 0.00 0.00 57.16 56.60 1b22 n GLU 18 Cb 0.61 -0.29 0.21 0.00 -1.01 0.00 0.00 31.44 30.96 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 -1.75 1.85 -0.27 1.62 0.15 -1.26 -4.99 113.70 109.05 1b22 s SER 19 Ca 0.08 1.40 0.21 0.00 0.70 0.00 0.00 55.95 58.33 1b22 s SER 19 Cb -0.01 -2.11 0.50 0.00 -1.71 0.00 0.00 66.02 62.68 1b22 s SER 19 CO 0.06 -3.64 1.11 0.49 1.20 0.00 0.00 173.24 172.47 1b22 n PHE 20 N -4.53 1.47 -0.00 3.44 3.72 -1.26 -5.07 117.46 115.22 1b22 n PHE 20 Ca 0.04 -2.18 0.00 0.00 -0.05 0.00 0.00 57.45 55.26 1b22 n PHE 20 Cb 0.55 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b22 n GLY 21 N -0.59 1.34 0.23 1.37 0.00 -1.26 -4.96 105.19 101.32 1b22 n GLY 21 Ca 0.12 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 1b22 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b22 h PRO 22 N 0.00 0.73 -4.86 1.61 0.13 -1.91 -3.48 132.00 124.22 1b22 h PRO 22 Ca 0.00 -0.47 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1b22 h PRO 22 Cb 0.00 0.06 0.14 0.00 0.13 0.00 0.00 31.00 31.33 1b22 h PRO 22 CO 0.00 1.10 -0.62 1.04 -0.23 0.00 0.00 178.00 179.29 1b22 n GLN 23 N -3.98 -4.25 -0.64 0.86 1.13 -1.26 -4.34 117.38 104.89 1b22 n GLN 23 Ca -0.04 0.67 -0.21 0.00 -1.94 0.00 0.00 57.00 55.47 1b22 n GLN 23 Cb 0.63 -5.06 -0.02 0.00 0.11 0.00 0.00 30.24 25.90 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 -3.28 1.54 0.00 -1.09 -0.04 -1.26 -2.13 135.00 128.74 1b22 n PRO 24 Ca -0.18 -1.31 0.11 0.00 -0.04 0.00 0.00 63.50 62.07 1b22 n PRO 24 Cb 0.62 -2.43 0.63 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.00 -0.11 0.52 -5.35 -1.26 -4.17 119.36 113.69 1b22 n ILE 25 Ca 0.37 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.82 1b22 n ILE 25 Cb 0.15 -0.67 -0.03 0.00 -1.74 0.00 0.00 39.64 37.36 1b22 n ILE 25 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1b22 n SER 26 N -1.00 -0.27 0.18 7.28 2.88 -1.25 0.51 113.62 121.95 1b22 n SER 26 Ca 0.16 1.03 0.13 0.00 -1.33 0.00 0.00 58.87 58.86 1b22 n SER 26 Cb 0.07 -0.35 0.44 0.00 -0.75 0.00 0.00 64.21 63.62 1b22 n SER 26 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1b22 h ARG 27 N 0.00 0.00 0.00 -1.46 2.43 -1.85 -2.73 114.38 110.77 1b22 h ARG 27 Ca 0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1b22 h ARG 27 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1b22 h ARG 27 CO -0.24 0.00 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.15 1b22 h LEU 28 N 0.00 -0.00 -0.32 3.80 4.07 -0.16 -2.85 115.31 119.84 1b22 h LEU 28 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 1b22 h LEU 28 Cb 0.65 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1b22 h LEU 28 CO 0.00 0.00 -0.72 1.05 -1.08 0.00 0.00 178.44 177.69 1b22 h GLU 29 N -0.01 0.00 0.00 1.13 4.11 -1.29 -2.19 114.58 116.32 1b22 h GLU 29 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1b22 h GLU 29 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1b22 h GLU 29 CO 0.00 0.72 -0.68 -0.56 0.07 0.00 0.00 179.01 178.56 1b22 h GLN 30 N 0.00 0.00 0.00 1.06 3.07 -1.58 -2.74 115.11 114.92 1b22 h GLN 30 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1b22 h GLN 30 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.97 1b22 h GLN 30 CO 0.09 0.68 0.00 0.00 0.09 0.00 0.00 178.83 179.69 1b22 n GLY 32 N 1.10 0.39 0.00 0.00 0.00 -1.03 -5.07 105.19 100.57 1b22 n GLY 32 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.03 -0.61 0.13 -0.84 -4.93 119.36 113.08 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 -3.20 2.80 0.00 0.00 176.55 176.15 1b22 n ASN 34 N 0.00 0.00 0.26 9.51 2.85 -1.26 -4.79 115.26 121.83 1b22 n ASN 34 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1b22 n ASN 34 Cb 0.00 0.00 0.68 0.00 1.24 0.00 0.00 39.78 41.70 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1b22 h ALA 35 N -1.98 1.21 -0.64 5.20 0.00 -1.94 -3.11 119.26 117.99 1b22 h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b22 h ALA 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1b22 h ALA 35 CO 0.00 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.13 1b22 n ASN 36 N -2.56 0.00 0.00 0.00 3.02 -1.26 -1.44 115.26 113.02 1b22 n ASN 36 Ca -0.02 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 1b22 n ASN 36 Cb 0.28 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1b22 n ASN 36 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1b22 n ASP 37 N -2.24 0.00 0.14 6.41 -0.08 -1.17 0.16 116.55 119.77 1b22 n ASP 37 Ca 0.00 0.23 -0.14 0.00 -1.51 0.00 0.00 54.79 53.38 1b22 n ASP 37 Cb 0.00 -0.09 -0.06 0.00 2.34 0.00 0.00 41.12 43.31 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1b22 h VAL 38 N 0.00 0.32 0.00 5.18 2.07 -1.78 -3.08 116.25 118.95 1b22 h VAL 38 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1b22 h VAL 38 Cb 0.00 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1b22 h VAL 38 CO 0.00 0.00 -0.15 0.11 0.02 0.00 0.00 177.57 177.55 1b22 h LYS 39 N -0.57 0.00 -0.65 1.57 6.56 0.30 -2.96 116.57 120.82 1b22 h LYS 39 Ca 0.02 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.67 1b22 h LYS 39 Cb 0.58 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.17 1b22 h LYS 39 CO -0.16 0.00 -0.38 1.63 -2.06 0.00 0.00 179.45 178.48 1b22 n LYS 40 N -4.10 -0.29 0.08 3.15 5.02 0.42 -2.17 118.16 120.29 1b22 n LYS 40 Ca -0.02 1.28 0.12 0.00 -2.02 0.00 0.00 58.31 57.66 1b22 n LYS 40 Cb 0.08 -1.88 0.16 0.00 -0.02 0.00 0.00 35.03 33.36 1b22 n LYS 40 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 1b22 h LEU 41 N 0.00 0.00 -0.78 -0.35 8.10 -1.49 -3.35 115.31 117.45 1b22 h LEU 41 Ca 0.10 -0.14 -0.11 0.00 0.11 0.00 0.00 57.88 57.84 1b22 h LEU 41 Cb 0.27 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1b22 h LEU 41 CO -0.61 0.07 -0.31 -0.08 -4.11 0.00 0.00 178.44 173.40 1b22 h GLU 42 N 0.00 0.57 0.21 0.17 4.81 -1.25 -0.41 114.58 118.68 1b22 h GLU 42 Ca 0.00 -0.25 -0.32 0.00 -0.13 0.00 0.00 59.36 58.66 1b22 h GLU 42 Cb 0.81 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.21 1b22 h GLU 42 CO 0.00 0.82 -1.40 1.49 -0.73 0.00 0.00 179.01 179.18 1b22 h GLU 43 N 0.49 0.54 0.00 1.92 4.57 -1.71 -3.43 114.58 116.96 1b22 h GLU 43 Ca 0.06 -0.86 0.00 0.00 -1.18 0.00 0.00 59.36 57.38 1b22 h GLU 43 Cb 0.78 0.31 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1b22 h GLU 43 CO 0.06 1.41 -0.08 0.00 -1.18 0.00 0.00 179.01 179.22 1b22 n ALA 44 N -2.69 2.26 0.00 2.92 0.00 -1.20 -5.09 120.51 116.71 1b22 n ALA 44 Ca -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1b22 n ALA 44 Cb 1.07 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.58 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 2.95 0.47 0.57 0.00 0.00 -0.17 -5.00 105.19 104.02 1b22 n GLY 45 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.29 -0.51 1.61 3.01 -1.26 -4.69 117.46 115.90 1b22 n PHE 46 Ca 0.00 -0.11 -0.28 0.00 1.01 0.00 0.00 57.45 58.07 1b22 n PHE 46 Cb 0.00 -0.12 -0.06 0.00 -0.01 0.00 0.00 39.48 39.30 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 0.03 0.55 -1.25 1.38 1.44 -1.26 -4.10 115.22 112.01 1b22 n HIS 47 Ca 0.04 -0.95 0.00 0.00 -2.01 0.00 0.00 57.72 54.80 1b22 n HIS 47 Cb 0.31 -1.02 0.00 0.00 0.12 0.00 0.00 29.99 29.40 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 5.84 0.00 -0.40 0.61 5.66 -1.26 -3.84 114.28 120.89 1b22 n THR 48 Ca 0.34 0.00 0.33 0.00 -3.05 0.00 0.00 64.05 61.67 1b22 n THR 48 Cb 0.26 0.00 0.51 0.00 -1.55 0.00 0.00 70.33 69.54 1b22 n THR 48 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1b22 n VAL 49 N 1.78 0.00 0.29 1.08 3.14 -0.91 -0.51 118.33 123.20 1b22 n VAL 49 Ca 0.00 1.05 0.05 0.00 -2.96 0.00 0.00 64.34 62.48 1b22 n VAL 49 Cb 0.00 -1.79 0.25 0.00 -1.06 0.00 0.00 33.84 31.24 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1b22 h GLU 50 N 0.00 0.00 -1.70 1.45 5.08 -1.78 -2.36 114.58 115.27 1b22 h GLU 50 Ca 0.58 0.00 0.49 0.00 -1.00 0.00 0.00 59.36 59.44 1b22 h GLU 50 Cb 2.60 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.78 1b22 h GLU 50 CO -0.01 0.00 1.24 0.00 -1.00 0.00 0.00 179.01 179.24 1b22 n ALA 51 N -1.57 1.63 -2.82 3.43 0.00 0.33 -4.48 120.51 117.03 1b22 n ALA 51 Ca -0.01 0.56 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 1b22 n ALA 51 Cb 0.72 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 1b22 n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b22 s VAL 52 N -4.59 0.00 -0.61 0.00 0.11 -0.89 -4.84 120.40 109.58 1b22 s VAL 52 Ca -0.04 -1.64 -0.01 0.00 -2.93 0.00 0.00 61.98 57.36 1b22 s VAL 52 Cb 0.23 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1b22 s VAL 52 CO 0.77 0.00 0.52 0.00 -3.33 0.00 0.00 175.10 173.05 1b22 n ALA 53 N -0.51 -0.91 0.00 1.54 0.00 -1.26 -4.82 120.51 114.55 1b22 n ALA 53 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1b22 n ALA 53 Cb 0.62 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1b22 n ALA 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1b22 n TYR 54 N -2.84 -0.59 -4.31 0.00 4.19 -1.26 -5.02 117.16 107.33 1b22 n TYR 54 Ca -0.11 0.00 -0.21 0.00 3.31 0.00 0.00 57.90 60.89 1b22 n TYR 54 Cb 0.57 0.12 -0.11 0.00 0.49 0.00 0.00 39.34 40.41 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1b22 s ALA 55 N -1.01 1.89 -0.15 2.98 0.00 -1.26 -5.10 121.76 119.11 1b22 s ALA 55 Ca 0.00 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 1b22 s ALA 55 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1b22 s ALA 55 CO 0.00 0.22 1.43 -1.25 0.00 0.00 0.00 175.76 176.16 1b22 s PRO 56 N -2.72 4.12 0.50 0.00 0.04 -1.26 -4.86 135.00 130.82 1b22 s PRO 56 Ca 0.14 1.78 0.39 0.00 0.04 0.00 0.00 61.00 63.34 1b22 s PRO 56 Cb -0.06 -3.88 1.57 0.00 0.04 0.00 0.00 34.50 32.17 1b22 s PRO 56 CO 0.06 -0.87 1.63 1.57 0.04 0.00 0.00 177.00 179.42 1b22 h LYS 57 N 9.07 0.04 -0.13 4.56 2.10 -1.99 1.16 116.57 131.38 1b22 h LYS 57 Ca -0.31 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.27 1b22 h LYS 57 Cb 1.13 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1b22 h LYS 57 CO 0.98 0.03 -0.21 0.87 -2.00 0.00 0.00 179.45 179.11 1b22 h LYS 58 N 0.04 0.22 0.02 0.07 1.57 -1.91 -1.25 116.57 115.33 1b22 h LYS 58 Ca 0.84 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.55 1b22 h LYS 58 Cb 3.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 35.31 1b22 h LYS 58 CO -0.21 0.43 -0.01 1.49 -0.57 0.00 0.00 179.45 180.58 1b22 h GLU 59 N 0.20 -0.03 0.08 3.15 4.57 0.10 -2.84 114.58 119.81 1b22 h GLU 59 Ca 0.04 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1b22 h GLU 59 Cb 0.49 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1b22 h GLU 59 CO 0.03 0.49 -0.53 1.25 -1.18 0.00 0.00 179.01 179.07 1b22 h LEU 60 N -0.99 -1.61 -1.94 1.64 5.85 -1.47 0.29 115.31 117.09 1b22 h LEU 60 Ca -0.00 0.17 0.30 0.00 0.84 0.00 0.00 57.88 59.19 1b22 h LEU 60 Cb 0.53 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1b22 h LEU 60 CO 0.00 -0.55 0.80 0.16 -0.34 0.00 0.00 178.44 178.52 1b22 h ILE 61 N -0.73 0.39 0.00 4.05 -0.00 -1.36 0.55 117.51 120.42 1b22 h ILE 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1b22 h ILE 61 Cb 0.75 0.43 0.00 0.00 -0.00 0.00 0.00 36.82 38.00 1b22 h ILE 61 CO -0.31 0.00 0.30 -0.46 -0.00 0.00 0.00 178.15 177.68 1b22 n ASN 62 N -4.07 0.25 0.00 2.16 6.94 0.10 -1.51 115.26 119.14 1b22 n ASN 62 Ca 0.22 0.48 0.00 0.00 -0.02 0.00 0.00 54.58 55.26 1b22 n ASN 62 Cb 1.15 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 1b22 n ASN 62 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1b22 n ILE 63 N -1.87 0.00 0.77 1.53 5.41 0.19 -1.27 119.36 124.12 1b22 n ILE 63 Ca -0.01 0.81 0.08 0.00 1.00 0.00 0.00 62.75 64.63 1b22 n ILE 63 Cb 0.32 -1.43 0.41 0.00 -0.71 0.00 0.00 39.64 38.22 1b22 n ILE 63 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1b22 n LYS 64 N -0.53 0.23 -0.23 0.38 4.76 -1.19 -4.80 118.16 116.78 1b22 n LYS 64 Ca 0.00 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1b22 n LYS 64 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1b22 n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b22 n GLY 65 N 0.10 1.36 0.00 0.72 0.00 -0.39 -5.09 105.19 101.89 1b22 n GLY 65 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.77 0.00 0.00 -0.61 5.41 -0.57 -4.89 119.36 116.93 1b22 n ILE 66 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1b22 n ILE 66 Cb 0.04 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 1b22 n ILE 66 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1b22 n SER 67 N 0.00 0.00 0.33 4.38 3.41 -1.26 -4.40 113.62 116.08 1b22 n SER 67 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1b22 n SER 67 Cb 0.00 0.00 0.87 0.00 -0.26 0.00 0.00 64.21 64.82 1b22 n SER 67 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1b22 h GLU 68 N 0.00 0.00 0.00 4.33 3.07 -1.96 -2.88 114.58 117.14 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 -1.93 -0.02 -0.03 3.43 0.00 -1.26 -1.36 120.51 119.34 1b22 n ALA 69 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1b22 n ALA 69 Cb 0.34 0.22 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 1b22 n ALA 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1b22 h LYS 70 N 0.00 -0.01 0.00 0.00 5.09 -1.94 -2.93 116.57 116.78 1b22 h LYS 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1b22 h LYS 70 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1b22 h LYS 70 CO 0.00 0.61 0.00 0.00 -2.09 0.00 0.00 179.45 177.97 1b22 n ALA 71 N -2.42 -0.05 -0.28 0.07 0.00 -1.10 -2.38 120.51 114.34 1b22 n ALA 71 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1b22 n ALA 71 Cb 0.31 0.18 0.17 0.00 0.00 0.00 0.00 19.45 20.11 1b22 n ALA 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1b22 h ASP 72 N 0.00 -0.45 -1.55 0.00 5.19 -1.40 0.83 116.42 119.03 1b22 h ASP 72 Ca 0.00 0.22 0.46 0.00 -0.62 0.00 0.00 57.03 57.09 1b22 h ASP 72 Cb 0.00 0.41 -0.07 0.00 0.18 0.00 0.00 39.33 39.84 1b22 h ASP 72 CO 0.00 -0.23 1.10 0.50 -3.12 0.00 0.00 179.24 177.49 1b22 h LYS 73 N 0.07 0.03 0.04 3.56 1.63 -1.28 1.29 116.57 121.91 1b22 h LYS 73 Ca 0.45 -0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.97 1b22 h LYS 73 Cb 0.80 -0.01 0.02 0.00 -0.60 0.00 0.00 32.23 32.45 1b22 h LYS 73 CO -0.75 0.02 -1.11 0.97 -3.45 0.00 0.00 179.45 175.13 1b22 h ILE 74 N 0.03 1.28 0.00 2.00 -0.00 0.11 -2.99 117.51 117.94 1b22 h ILE 74 Ca 0.77 -2.33 0.00 0.00 -0.00 0.00 0.00 64.86 63.30 1b22 h ILE 74 Cb 2.95 2.48 0.00 0.00 -0.00 0.00 0.00 36.82 42.25 1b22 h ILE 74 CO -0.08 0.72 0.00 -0.07 -0.00 0.00 0.00 178.15 178.72 1b22 h LEU 75 N 0.35 0.00 0.01 2.19 3.38 0.17 -1.15 115.31 120.27 1b22 h LEU 75 Ca -0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1b22 h LEU 75 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1b22 h LEU 75 CO 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.74 1b22 h ALA 76 N 2.07 -0.02 -0.32 1.53 0.00 -1.08 -2.64 119.26 118.80 1b22 h ALA 76 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1b22 h ALA 76 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b22 h ALA 76 CO 0.00 -0.03 -0.35 0.93 0.00 0.00 0.00 179.25 179.80 1b22 h GLU 77 N -0.97 0.73 -0.04 0.00 4.39 -1.45 -2.26 114.58 114.98 1b22 h GLU 77 Ca -0.00 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 1b22 h GLU 77 Cb 0.69 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1b22 h GLU 77 CO 0.00 0.97 0.01 0.00 -1.16 0.00 0.00 179.01 178.83 1b22 h ALA 78 N 1.00 0.05 0.00 3.43 0.00 -1.35 1.36 119.26 123.75 1b22 h ALA 78 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1b22 h ALA 78 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1b22 h ALA 78 CO 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1b22 h ALA 79 N 0.77 1.00 0.00 0.00 0.00 -1.47 0.18 119.26 119.74 1b22 h ALA 79 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1b22 h ALA 79 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1b22 h ALA 79 CO 0.00 0.00 -1.92 1.17 0.00 0.00 0.00 179.25 178.50 1b22 n LYS 80 N -2.51 1.49 -0.10 0.00 4.81 -0.85 -4.28 118.16 116.71 1b22 n LYS 80 Ca 0.01 -0.03 -0.14 0.00 -0.87 0.00 0.00 58.31 57.28 1b22 n LYS 80 Cb 0.22 -1.36 -0.10 0.00 0.02 0.00 0.00 35.03 33.81 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1b22 n LEU 81 N -2.44 2.90 -2.99 3.14 0.00 0.46 -4.71 117.00 113.37 1b22 n LEU 81 Ca -0.19 -0.11 -0.24 0.00 0.00 0.00 0.00 56.01 55.46 1b22 n LEU 81 Cb 0.86 -0.70 -0.04 0.00 0.00 0.00 0.00 43.42 43.55 1b22 n LEU 81 CO 0.30 0.84 0.05 0.55 0.00 0.00 0.00 177.39 179.13 1b22 n VAL 82 N -3.10 2.20 0.00 1.96 3.14 0.57 -5.03 118.33 118.07 1b22 n VAL 82 Ca -0.37 -5.28 0.00 0.00 -2.96 0.00 0.00 64.34 55.73 1b22 n VAL 82 Cb 0.90 -1.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 1b22 n VAL 82 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1b22 n PRO 83 N -0.12 1.51 -0.62 1.45 -0.04 -0.84 -4.62 135.00 131.72 1b22 n PRO 83 Ca 0.29 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.78 1b22 n PRO 83 Cb 0.47 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.92 1b22 n PRO 83 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1b22 n MET 84 N 0.00 -1.55 0.00 0.54 0.00 -1.26 -5.05 117.12 109.80 1b22 n MET 84 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 57.70 58.93 1b22 n MET 84 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.61 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38