#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 0.00 -3.53 5.31 1.02 -1.26 -5.16 120.64 117.02 1b22 n GLU 17 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1b22 n GLU 17 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1b22 n GLU 17 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1b22 s GLU 18 N -0.48 0.98 0.01 3.49 2.02 -1.26 -5.03 118.70 118.43 1b22 s GLU 18 Ca 0.00 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 1b22 s GLU 18 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 34.13 34.62 1b22 s GLU 18 CO 0.00 -0.43 1.00 -1.12 0.02 0.00 0.00 175.26 174.72 1b22 s SER 19 N -2.60 7.36 0.00 -0.19 0.01 -1.26 -4.86 113.70 112.15 1b22 s SER 19 Ca 0.05 1.69 0.00 0.00 1.31 0.00 0.00 55.95 59.01 1b22 s SER 19 Cb -0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1b22 s SER 19 CO -0.08 -0.26 0.50 0.49 0.41 0.00 0.00 173.24 174.30 1b22 n PHE 20 N 3.84 0.00 -0.47 2.43 3.72 -1.26 -5.09 117.46 120.63 1b22 n PHE 20 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1b22 n PHE 20 Cb 0.51 0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.00 5.04 3.69 1.37 0.00 -1.26 -5.16 105.19 108.87 1b22 n GLY 21 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1b22 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b22 s PRO 22 N 4.18 -0.63 -0.33 1.61 0.04 -1.26 -4.98 135.00 133.63 1b22 s PRO 22 Ca 0.00 -0.13 0.04 0.00 0.04 0.00 0.00 61.00 60.95 1b22 s PRO 22 Cb 0.00 -1.67 0.17 0.00 0.04 0.00 0.00 34.50 33.04 1b22 s PRO 22 CO 0.00 -3.31 1.14 0.00 0.04 0.00 0.00 177.00 174.87 1b22 n GLN 23 N -4.46 0.53 -0.80 4.56 0.00 -1.26 -4.92 117.38 111.03 1b22 n GLN 23 Ca 0.13 -1.03 -0.23 0.00 0.00 0.00 0.00 57.00 55.87 1b22 n GLN 23 Cb 0.59 -0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.81 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1b22 n PRO 24 N -0.55 2.23 0.00 2.61 -0.04 -1.26 -2.72 135.00 135.26 1b22 n PRO 24 Ca -0.18 -1.50 0.10 0.00 -0.04 0.00 0.00 63.50 61.88 1b22 n PRO 24 Cb 0.71 -2.46 0.58 0.00 -0.04 0.00 0.00 33.50 32.29 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 4.06 0.12 0.00 0.52 -5.35 -1.26 -4.31 119.36 113.14 1b22 n ILE 25 Ca 0.48 0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.99 1b22 n ILE 25 Cb 0.16 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 1b22 n ILE 25 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1b22 n SER 26 N -1.09 0.00 0.13 7.28 3.41 -1.25 -1.30 113.62 120.81 1b22 n SER 26 Ca 0.14 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 1b22 n SER 26 Cb 0.10 -0.25 0.24 0.00 -0.26 0.00 0.00 64.21 64.04 1b22 n SER 26 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1b22 h ARG 27 N 0.00 0.00 0.04 4.33 0.11 -1.82 -2.95 114.38 114.08 1b22 h ARG 27 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1b22 h ARG 27 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1b22 h ARG 27 CO 0.00 0.00 -0.02 1.25 0.10 0.00 0.00 179.97 181.30 1b22 h LEU 28 N 0.00 -0.04 -0.07 0.08 6.46 -1.42 -2.02 115.31 118.29 1b22 h LEU 28 Ca 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.63 1b22 h LEU 28 Cb 0.85 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1b22 h LEU 28 CO 0.00 -0.03 -0.65 1.05 -0.62 0.00 0.00 178.44 178.19 1b22 h GLU 29 N -0.05 0.00 -0.61 1.25 4.11 -1.70 -2.86 114.58 114.72 1b22 h GLU 29 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1b22 h GLU 29 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1b22 h GLU 29 CO 0.01 0.65 0.20 0.37 0.07 0.00 0.00 179.01 180.31 1b22 h GLN 30 N 0.00 0.91 0.00 1.06 5.75 -1.59 -1.02 115.11 120.22 1b22 h GLN 30 Ca -0.01 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1b22 h GLN 30 Cb 1.47 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1b22 h GLN 30 CO 0.08 0.78 0.00 0.00 -2.65 0.00 0.00 178.83 177.04 1b22 n GLY 32 N 1.23 0.64 0.00 0.00 0.00 -0.39 -5.10 105.19 101.58 1b22 n GLY 32 Ca 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.26 -0.61 0.13 -1.08 -4.95 119.36 112.60 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 -0.22 9.51 2.85 -1.26 -4.72 115.26 121.42 1b22 n ASN 34 Ca 0.00 0.00 0.31 0.00 -0.11 0.00 0.00 54.58 54.78 1b22 n ASN 34 Cb 0.00 0.00 0.61 0.00 1.24 0.00 0.00 39.78 41.63 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 -1.85 2.91 -0.98 5.20 0.00 -1.96 -1.99 119.26 120.59 1b22 h ALA 35 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1b22 h ALA 35 Cb 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 1b22 h ALA 35 CO 0.00 -1.54 -0.49 -0.91 0.00 0.00 0.00 179.25 176.31 1b22 h ASN 36 N 0.00 -1.80 0.00 0.00 4.21 -1.88 -2.50 115.58 113.60 1b22 h ASN 36 Ca 0.49 0.32 0.00 0.00 1.21 0.00 0.00 56.30 58.32 1b22 h ASN 36 Cb 2.51 0.86 0.00 0.00 -1.12 0.00 0.00 38.32 40.57 1b22 h ASN 36 CO -0.01 -0.26 0.00 -0.67 -1.29 0.00 0.00 177.43 175.20 1b22 n ASP 37 N -5.36 0.00 0.11 5.81 2.03 -0.75 0.23 116.55 118.62 1b22 n ASP 37 Ca 0.06 0.38 -0.14 0.00 0.52 0.00 0.00 54.79 55.61 1b22 n ASP 37 Cb 0.33 -0.15 -0.08 0.00 -0.72 0.00 0.00 41.12 40.50 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1b22 h VAL 38 N 0.00 0.00 0.00 5.18 2.07 -1.70 -3.01 116.25 118.79 1b22 h VAL 38 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1b22 h VAL 38 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1b22 h VAL 38 CO 0.00 0.00 -0.92 0.11 0.02 0.00 0.00 177.57 176.78 1b22 h LYS 39 N -0.65 0.01 -0.13 1.57 6.56 -1.09 -3.01 116.57 119.83 1b22 h LYS 39 Ca -0.01 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1b22 h LYS 39 Cb 0.65 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.28 1b22 h LYS 39 CO -0.23 1.01 -0.07 0.87 -2.06 0.00 0.00 179.45 178.97 1b22 h LYS 40 N -0.98 -0.06 0.00 3.15 1.79 0.28 -3.06 116.57 117.69 1b22 h LYS 40 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1b22 h LYS 40 Cb 1.24 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1b22 h LYS 40 CO -0.15 -0.04 -0.73 1.37 -1.08 0.00 0.00 179.45 178.82 1b22 h LEU 41 N -0.07 0.00 0.00 2.94 8.10 -1.31 -2.55 115.31 122.42 1b22 h LEU 41 Ca 0.08 -0.15 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1b22 h LEU 41 Cb 0.18 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1b22 h LEU 41 CO -0.17 0.07 -0.20 -0.08 -4.11 0.00 0.00 178.44 173.95 1b22 h GLU 42 N 0.00 0.00 0.00 0.17 4.81 -1.43 -3.21 114.58 114.92 1b22 h GLU 42 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b22 h GLU 42 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1b22 h GLU 42 CO 0.00 0.27 0.00 0.39 -0.73 0.00 0.00 179.01 178.94 1b22 n GLU 43 N -4.69 0.00 0.16 1.92 -0.58 -1.19 -3.96 120.64 112.30 1b22 n GLU 43 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1b22 n GLU 43 Cb 0.20 -0.11 0.24 0.00 -0.57 0.00 0.00 31.44 31.20 1b22 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b22 h ALA 44 N -2.45 1.10 -1.08 0.62 0.00 -1.84 -3.47 119.26 112.15 1b22 h ALA 44 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1b22 h ALA 44 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1b22 h ALA 44 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1b22 n GLY 45 N 0.03 0.49 0.18 0.00 0.00 -1.21 -4.94 105.19 99.74 1b22 n GLY 45 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.54 0.00 -0.67 1.61 3.01 -0.96 -4.63 117.46 115.29 1b22 n PHE 46 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1b22 n PHE 46 Cb 0.26 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.28 0.66 0.00 1.38 1.44 -1.26 -4.25 115.22 112.92 1b22 n HIS 47 Ca 0.00 -0.99 0.00 0.00 -2.01 0.00 0.00 57.72 54.72 1b22 n HIS 47 Cb 0.07 -1.08 0.00 0.00 0.12 0.00 0.00 29.99 29.09 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 6.34 0.00 -0.49 0.61 5.66 -1.26 -3.85 114.28 121.30 1b22 n THR 48 Ca 0.43 0.00 0.38 0.00 -3.05 0.00 0.00 64.05 61.81 1b22 n THR 48 Cb 0.36 0.00 0.58 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.48 0.00 -0.16 1.08 3.14 -1.10 -1.02 118.33 119.78 1b22 n VAL 49 Ca 0.00 1.07 0.24 0.00 -2.96 0.00 0.00 64.34 62.70 1b22 n VAL 49 Cb 0.00 -1.80 0.37 0.00 -1.06 0.00 0.00 33.84 31.35 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1b22 n GLU 50 N -3.34 0.01 -0.12 1.45 -0.58 -1.26 -2.83 120.64 113.98 1b22 n GLU 50 Ca 0.31 0.95 -0.03 0.00 -0.42 0.00 0.00 57.16 57.97 1b22 n GLU 50 Cb 1.45 -2.38 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b22 n ALA 51 N -2.12 -0.18 -2.08 0.62 0.00 -0.19 0.21 120.51 116.76 1b22 n ALA 51 Ca 0.20 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.49 1b22 n ALA 51 Cb 1.40 0.08 -0.00 0.00 0.00 0.00 0.00 19.45 20.92 1b22 n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1b22 n VAL 52 N -3.69 5.23 -2.52 0.00 3.14 -1.13 -4.40 118.33 114.96 1b22 n VAL 52 Ca 0.01 -4.57 0.00 0.00 -2.96 0.00 0.00 64.34 56.82 1b22 n VAL 52 Cb 0.07 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 30.96 1b22 n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b22 n ALA 53 N 1.21 0.00 -0.40 1.55 0.00 0.13 -4.93 120.51 118.08 1b22 n ALA 53 Ca 0.58 0.00 0.34 0.00 0.00 0.00 0.00 53.44 54.36 1b22 n ALA 53 Cb 0.28 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.38 1b22 n ALA 53 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1b22 h TYR 54 N 0.00 0.34 -3.21 0.00 -0.00 -1.92 -3.37 116.97 108.81 1b22 h TYR 54 Ca 0.00 0.01 -0.61 0.00 -0.00 0.00 0.00 58.73 58.13 1b22 h TYR 54 Cb 0.00 -0.09 -0.12 0.00 -0.00 0.00 0.00 36.73 36.52 1b22 h TYR 54 CO 0.00 -0.04 -0.50 0.00 -0.00 0.00 0.00 178.16 177.62 1b22 s ALA 55 N -5.20 3.66 0.73 0.10 0.00 -1.26 -5.08 121.76 114.71 1b22 s ALA 55 Ca -0.07 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1b22 s ALA 55 Cb 0.26 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 21.31 1b22 s ALA 55 CO 0.82 0.22 1.08 -1.25 0.00 0.00 0.00 175.76 176.62 1b22 s PRO 56 N 0.21 2.58 0.46 0.00 0.04 -1.26 -4.74 135.00 132.29 1b22 s PRO 56 Ca 0.08 1.10 0.25 0.00 0.04 0.00 0.00 61.00 62.46 1b22 s PRO 56 Cb -0.11 -1.94 1.34 0.00 0.04 0.00 0.00 34.50 33.83 1b22 s PRO 56 CO -0.01 -1.38 1.73 1.57 0.04 0.00 0.00 177.00 178.94 1b22 h LYS 57 N -0.86 0.00 0.00 4.56 -0.00 -1.94 0.21 116.57 118.54 1b22 h LYS 57 Ca -0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.16 1b22 h LYS 57 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.45 1b22 h LYS 57 CO 0.54 0.00 -0.57 -0.22 -0.00 0.00 0.00 179.45 179.20 1b22 h LYS 58 N 0.00 0.00 0.21 0.07 1.63 -1.89 -2.93 116.57 113.66 1b22 h LYS 58 Ca 0.00 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 1b22 h LYS 58 Cb 0.36 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1b22 h LYS 58 CO 0.00 0.16 -1.60 1.49 -3.45 0.00 0.00 179.45 176.05 1b22 h GLU 59 N 0.00 0.45 0.51 1.90 4.81 -0.91 -2.86 114.58 118.48 1b22 h GLU 59 Ca -0.02 -0.77 -0.03 0.00 -0.13 0.00 0.00 59.36 58.42 1b22 h GLU 59 Cb 1.17 0.29 0.01 0.00 0.63 0.00 0.00 28.75 30.84 1b22 h GLU 59 CO 0.02 1.36 -0.25 1.25 -0.73 0.00 0.00 179.01 180.67 1b22 h LEU 60 N 0.12 -0.58 -1.98 1.64 5.85 -1.63 -2.82 115.31 115.91 1b22 h LEU 60 Ca -0.29 0.02 0.37 0.00 0.84 0.00 0.00 57.88 58.82 1b22 h LEU 60 Cb 2.12 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 43.25 1b22 h LEU 60 CO 0.22 -0.25 0.93 0.16 -0.34 0.00 0.00 178.44 179.17 1b22 h ILE 61 N -1.03 0.35 0.00 4.05 -0.00 -1.67 0.95 117.51 120.16 1b22 h ILE 61 Ca -0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.79 1b22 h ILE 61 Cb 0.53 0.35 0.00 0.00 -0.00 0.00 0.00 36.82 37.69 1b22 h ILE 61 CO 0.12 0.00 0.33 -1.13 -0.00 0.00 0.00 178.15 177.46 1b22 h ASN 62 N 0.01 0.00 0.00 2.16 -1.24 -1.25 -1.21 115.58 114.05 1b22 h ASN 62 Ca 0.62 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.63 1b22 h ASN 62 Cb 2.46 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.51 1b22 h ASN 62 CO -0.01 0.00 0.00 -0.38 -1.29 0.00 0.00 177.43 175.75 1b22 n ILE 63 N -2.11 0.00 0.15 2.57 5.41 0.33 -2.95 119.36 122.76 1b22 n ILE 63 Ca -0.01 1.41 0.07 0.00 1.00 0.00 0.00 62.75 65.23 1b22 n ILE 63 Cb 0.35 -2.16 0.07 0.00 -0.71 0.00 0.00 39.64 37.18 1b22 n ILE 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1b22 h LYS 64 N 0.00 0.00 0.00 0.38 3.64 -1.75 -3.47 116.57 115.37 1b22 h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1b22 h LYS 64 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1b22 h LYS 64 CO 0.00 0.20 0.00 0.41 -2.27 0.00 0.00 179.45 177.79 1b22 n GLY 65 N 1.19 1.89 0.00 5.01 0.00 -0.72 -5.13 105.19 107.43 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 -0.11 0.00 0.00 -0.61 -0.00 -0.54 -4.89 119.36 113.22 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 -1.54 -0.00 0.00 0.00 176.55 175.01 1b22 n SER 67 N 0.00 0.00 0.21 4.38 3.41 -1.26 -4.47 113.62 115.89 1b22 n SER 67 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1b22 n SER 67 Cb 0.00 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 64.71 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 5.08 -1.96 -2.92 114.58 119.12 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1b22 n ALA 69 N -1.85 -0.00 0.01 3.43 0.00 -1.26 -1.18 120.51 119.65 1b22 n ALA 69 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1b22 n ALA 69 Cb 0.05 0.23 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 0.26 -0.25 0.00 1.79 -1.97 -3.05 116.57 113.34 1b22 h LYS 70 Ca 0.00 -0.44 0.06 0.00 -2.18 0.00 0.00 60.65 58.10 1b22 h LYS 70 Cb 0.00 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 1b22 h LYS 70 CO 0.00 1.21 -0.24 0.00 -1.08 0.00 0.00 179.45 179.34 1b22 h ALA 71 N -0.03 -0.12 -0.55 3.86 0.00 -1.61 -1.61 119.26 119.19 1b22 h ALA 71 Ca -0.33 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1b22 h ALA 71 Cb 1.82 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 1b22 h ALA 71 CO 0.07 -0.66 0.20 0.22 0.00 0.00 0.00 179.25 179.07 1b22 h ASP 72 N -0.24 0.78 -0.13 0.00 1.82 -1.29 -1.99 116.42 115.37 1b22 h ASP 72 Ca 0.14 -0.19 0.04 0.00 -0.39 0.00 0.00 57.03 56.63 1b22 h ASP 72 Cb 0.46 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1b22 h ASP 72 CO -0.39 0.76 0.44 0.50 -1.61 0.00 0.00 179.24 178.93 1b22 h LYS 73 N 0.76 0.00 0.00 0.28 1.63 -1.19 -1.97 116.57 116.08 1b22 h LYS 73 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1b22 h LYS 73 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1b22 h LYS 73 CO -0.01 0.00 -0.15 0.82 -3.45 0.00 0.00 179.45 176.66 1b22 h ILE 74 N 0.00 0.00 -0.11 2.00 5.03 -0.86 -3.04 117.51 120.53 1b22 h ILE 74 Ca 0.06 -0.53 0.03 0.00 -0.12 0.00 0.00 64.86 64.30 1b22 h ILE 74 Cb 0.93 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.72 1b22 h ILE 74 CO -0.00 0.00 0.58 0.25 -0.68 0.00 0.00 178.15 178.30 1b22 h LEU 75 N -0.53 0.00 0.00 1.44 6.46 -1.42 0.43 115.31 121.69 1b22 h LEU 75 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1b22 h LEU 75 Cb 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1b22 h LEU 75 CO 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 178.44 177.77 1b22 h ALA 76 N 0.94 0.00 0.00 1.25 0.00 -1.49 -2.80 119.26 117.16 1b22 h ALA 76 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1b22 h ALA 76 Cb 1.22 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1b22 h ALA 76 CO -0.00 0.05 -0.06 0.93 0.00 0.00 0.00 179.25 180.16 1b22 h GLU 77 N -0.67 0.00 -0.01 0.00 5.08 -1.25 -2.64 114.58 115.09 1b22 h GLU 77 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1b22 h GLU 77 Cb 0.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.31 1b22 h GLU 77 CO 0.00 0.06 -0.82 0.00 -1.00 0.00 0.00 179.01 177.26 1b22 h ALA 78 N 1.94 0.11 -0.00 3.43 0.00 -0.29 0.16 119.26 124.61 1b22 h ALA 78 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1b22 h ALA 78 Cb 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1b22 h ALA 78 CO 0.01 0.52 -0.18 0.00 0.00 0.00 0.00 179.25 179.60 1b22 h ALA 79 N 0.37 1.69 0.00 0.00 0.00 -1.19 0.27 119.26 120.41 1b22 h ALA 79 Ca -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1b22 h ALA 79 Cb 1.49 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1b22 h ALA 79 CO 0.16 0.24 -1.59 0.36 0.00 0.00 0.00 179.25 178.42 1b22 n LYS 80 N -4.32 0.64 -0.10 0.00 2.85 -1.13 -3.95 118.16 112.14 1b22 n LYS 80 Ca -0.02 -0.04 -0.16 0.00 -1.05 0.00 0.00 58.31 57.03 1b22 n LYS 80 Cb 0.25 -1.66 -0.06 0.00 -0.65 0.00 0.00 35.03 32.91 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1b22 n LEU 81 N -2.48 1.92 -3.42 -5.58 0.00 0.04 -4.79 117.00 102.70 1b22 n LEU 81 Ca -0.04 0.39 -0.26 0.00 0.00 0.00 0.00 56.01 56.10 1b22 n LEU 81 Cb 0.60 -0.81 -0.08 0.00 0.00 0.00 0.00 43.42 43.13 1b22 n LEU 81 CO 0.43 0.02 -0.07 0.55 0.00 0.00 0.00 177.39 178.32 1b22 n VAL 82 N -4.42 1.13 0.60 1.96 3.14 0.93 -4.87 118.33 116.80 1b22 n VAL 82 Ca -0.27 -4.70 0.10 0.00 -2.96 0.00 0.00 64.34 56.51 1b22 n VAL 82 Cb 0.61 -2.04 0.43 0.00 -1.06 0.00 0.00 33.84 31.78 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 1.30 0.07 -3.23 1.45 -0.04 -1.08 -4.53 135.00 128.94 1b22 n PRO 83 Ca 0.26 0.23 -0.39 0.00 -0.04 0.00 0.00 63.50 63.56 1b22 n PRO 83 Cb 0.44 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 1b22 n PRO 83 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1b22 s MET 84 N -3.08 4.26 0.00 0.54 -1.94 -1.26 -4.94 119.30 112.89 1b22 s MET 84 Ca 0.08 0.80 0.00 0.00 -1.71 0.00 0.00 55.69 54.87 1b22 s MET 84 Cb 0.12 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.71 1b22 s MET 84 CO 0.38 0.62 0.00 0.41 -0.01 0.00 0.00 175.02 176.42