#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 3.56 -3.43 3.49 0.28 -1.26 -5.04 120.64 118.23 1b22 n GLU 17 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1b22 n GLU 17 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 1b22 n GLU 17 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1b22 s GLU 18 N 0.00 0.45 -0.28 3.44 0.41 -1.26 -5.11 118.70 116.35 1b22 s GLU 18 Ca 0.00 -0.77 -0.21 0.00 -0.41 0.00 0.00 54.97 53.58 1b22 s GLU 18 Cb 0.00 -0.95 0.11 0.00 -1.78 0.00 0.00 34.13 31.51 1b22 s GLU 18 CO 0.00 -1.13 0.92 -1.54 -0.49 0.00 0.00 175.26 173.02 1b22 s SER 19 N 1.67 -0.59 -0.03 -0.19 1.04 -1.26 -4.54 113.70 109.80 1b22 s SER 19 Ca 0.14 1.04 -0.01 0.00 0.48 0.00 0.00 55.95 57.60 1b22 s SER 19 Cb -0.17 1.14 -0.00 0.00 0.10 0.00 0.00 66.02 67.08 1b22 s SER 19 CO -0.15 -0.17 -0.03 0.15 0.98 0.00 0.00 173.24 174.02 1b22 h PHE 20 N 5.26 0.00 0.00 5.02 3.57 -1.98 -3.50 116.94 125.31 1b22 h PHE 20 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1b22 h PHE 20 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1b22 h PHE 20 CO 0.23 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.72 1b22 n GLY 21 N 1.77 -1.96 3.64 2.40 0.00 -1.26 -5.14 105.19 104.64 1b22 n GLY 21 Ca -0.01 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.14 -0.99 -0.40 1.61 0.04 -1.26 -5.04 135.00 127.83 1b22 s PRO 22 Ca 0.00 -0.13 0.10 0.00 0.04 0.00 0.00 61.00 61.01 1b22 s PRO 22 Cb 0.00 -1.63 0.39 0.00 0.04 0.00 0.00 34.50 33.30 1b22 s PRO 22 CO 0.00 -3.55 1.28 1.04 0.04 0.00 0.00 177.00 175.81 1b22 n GLN 23 N -4.63 1.17 -0.64 4.56 3.00 -1.26 -4.97 117.38 114.61 1b22 n GLN 23 Ca 0.14 -2.02 -0.17 0.00 -0.01 0.00 0.00 57.00 54.93 1b22 n GLN 23 Cb 0.59 -0.29 -0.03 0.00 0.00 0.00 0.00 30.24 30.51 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 -0.44 1.73 0.00 -1.09 -0.04 -1.26 -0.75 135.00 133.15 1b22 n PRO 24 Ca -0.00 -1.21 0.10 0.00 -0.04 0.00 0.00 63.50 62.35 1b22 n PRO 24 Cb 0.83 -2.28 0.55 0.00 -0.04 0.00 0.00 33.50 32.55 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 3.98 0.28 -0.03 0.52 -5.35 -1.26 -4.26 119.36 113.24 1b22 n ILE 25 Ca 0.37 0.07 -0.01 0.00 -0.27 0.00 0.00 62.75 62.91 1b22 n ILE 25 Cb 0.18 -0.73 -0.01 0.00 -1.74 0.00 0.00 39.64 37.35 1b22 n ILE 25 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1b22 n SER 26 N -1.22 -0.07 0.11 7.28 7.64 -1.25 0.08 113.62 126.20 1b22 n SER 26 Ca 0.11 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1b22 n SER 26 Cb 0.14 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1b22 n SER 26 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1b22 h ARG 27 N 0.00 0.00 0.00 1.43 3.08 -1.82 -2.90 114.38 114.17 1b22 h ARG 27 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1b22 h ARG 27 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1b22 h ARG 27 CO -0.06 0.58 0.00 -0.11 -1.07 0.00 0.00 179.97 179.31 1b22 n LEU 28 N -3.22 0.00 0.08 3.04 7.94 0.11 0.05 117.00 125.00 1b22 n LEU 28 Ca 0.00 0.89 -0.13 0.00 -1.11 0.00 0.00 56.01 55.67 1b22 n LEU 28 Cb 0.79 -0.39 -0.13 0.00 0.53 0.00 0.00 43.42 44.21 1b22 n LEU 28 CO 0.42 -0.39 -0.06 1.05 -1.11 0.00 0.00 177.39 177.30 1b22 h GLU 29 N 0.00 0.18 -0.22 1.96 4.11 -1.65 -2.26 114.58 116.70 1b22 h GLU 29 Ca 0.00 -0.31 -0.04 0.00 0.07 0.00 0.00 59.36 59.08 1b22 h GLU 29 Cb 0.00 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1b22 h GLU 29 CO 0.00 1.11 -0.06 0.37 0.07 0.00 0.00 179.01 180.50 1b22 h GLN 30 N 0.05 0.34 0.00 1.06 4.15 -1.52 -0.28 115.11 118.91 1b22 h GLN 30 Ca -0.12 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1b22 h GLN 30 Cb 1.92 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.56 1b22 h GLN 30 CO 0.17 0.42 0.00 0.00 -1.93 0.00 0.00 178.83 177.49 1b22 n GLY 32 N 1.13 0.54 0.00 0.00 0.00 -0.12 -5.07 105.19 101.66 1b22 n GLY 32 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.05 -0.61 0.13 -0.86 -4.94 119.36 113.04 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 0.30 9.51 6.94 -1.26 -4.80 115.26 125.95 1b22 n ASN 34 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 54.58 54.75 1b22 n ASN 34 Cb 0.00 0.00 0.97 0.00 -2.36 0.00 0.00 39.78 38.39 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b22 h ALA 35 N -1.95 1.34 -0.23 -2.53 0.00 -1.96 -3.18 119.26 110.75 1b22 h ALA 35 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1b22 h ALA 35 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1b22 h ALA 35 CO 0.00 -0.20 -0.19 -0.91 0.00 0.00 0.00 179.25 177.95 1b22 h ASN 36 N 0.00 -0.67 0.00 0.00 2.35 -1.87 -2.61 115.58 112.78 1b22 h ASN 36 Ca 0.02 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1b22 h ASN 36 Cb 0.38 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1b22 h ASN 36 CO -0.00 -0.11 0.00 -0.67 -1.65 0.00 0.00 177.43 175.00 1b22 n ASP 37 N -3.67 0.00 0.24 5.81 -0.08 -1.20 0.77 116.55 118.42 1b22 n ASP 37 Ca -0.00 0.19 -0.16 0.00 -1.51 0.00 0.00 54.79 53.30 1b22 n ASP 37 Cb 0.10 -0.07 -0.08 0.00 2.34 0.00 0.00 41.12 43.41 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 0.18 0.00 5.18 2.07 -1.79 -3.10 116.25 118.79 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 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1b22 h VAL 38 CO 0.00 0.00 -0.05 0.11 0.02 0.00 0.00 177.57 177.65 1b22 h LYS 39 N -0.82 0.00 -0.58 1.57 1.57 -0.68 -2.95 116.57 114.67 1b22 h LYS 39 Ca -0.03 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1b22 h LYS 39 Cb 0.74 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 1b22 h LYS 39 CO -0.07 0.00 -0.39 0.87 -0.57 0.00 0.00 179.45 179.29 1b22 h LYS 40 N -0.65 -0.06 0.00 3.15 1.57 0.19 -2.88 116.57 117.90 1b22 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b22 h LYS 40 Cb 0.05 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1b22 h LYS 40 CO 0.00 -0.04 -0.75 1.37 -0.57 0.00 0.00 179.45 179.47 1b22 h LEU 41 N -0.06 0.00 -0.16 2.94 8.10 -1.46 -3.36 115.31 121.30 1b22 h LEU 41 Ca 0.09 -0.09 -0.09 0.00 0.11 0.00 0.00 57.88 57.91 1b22 h LEU 41 Cb 0.30 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.52 1b22 h LEU 41 CO -0.58 0.04 -0.23 -0.08 -4.11 0.00 0.00 178.44 173.49 1b22 h GLU 42 N 0.00 0.44 -0.23 0.17 4.81 -1.32 0.95 114.58 119.40 1b22 h GLU 42 Ca 0.00 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.93 1b22 h GLU 42 Cb 0.90 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1b22 h GLU 42 CO 0.00 0.85 -0.05 1.49 -0.73 0.00 0.00 179.01 180.57 1b22 h GLU 43 N 0.08 0.35 0.00 1.92 4.57 -1.75 -3.40 114.58 116.33 1b22 h GLU 43 Ca 0.02 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1b22 h GLU 43 Cb 0.80 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1b22 h GLU 43 CO 0.05 0.41 0.00 0.00 -1.18 0.00 0.00 179.01 178.30 1b22 n ALA 44 N -2.49 3.00 0.00 2.92 0.00 -1.17 -5.09 120.51 117.68 1b22 n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b22 n ALA 44 Cb 0.23 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 2.50 0.89 0.00 0.00 0.00 0.33 -5.00 105.19 103.91 1b22 n GLY 45 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.77 1.61 3.01 -1.26 -4.57 117.46 115.48 1b22 n PHE 46 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 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 -0.88 0.78 0.00 1.38 1.44 -1.26 -2.92 115.22 113.77 1b22 n HIS 47 Ca 0.15 -1.05 0.00 0.00 -2.01 0.00 0.00 57.72 54.81 1b22 n HIS 47 Cb 0.07 -1.15 0.00 0.00 0.12 0.00 0.00 29.99 29.03 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 6.58 0.00 -0.90 0.61 5.66 -1.26 -3.76 114.28 121.20 1b22 n THR 48 Ca 0.48 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.48 1b22 n THR 48 Cb 0.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1b22 n THR 48 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1b22 n VAL 49 N 0.00 0.00 1.30 1.08 0.31 0.07 -4.74 118.33 116.35 1b22 n VAL 49 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 1b22 n VAL 49 Cb 0.00 -0.90 0.41 0.00 -0.91 0.00 0.00 33.84 32.44 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b22 n GLU 50 N 0.57 1.68 -0.18 5.55 4.71 -1.15 -3.70 120.64 128.13 1b22 n GLU 50 Ca 0.00 -1.02 0.03 0.00 -0.01 0.00 0.00 57.16 56.15 1b22 n GLU 50 Cb 0.42 -1.40 0.10 0.00 -1.01 0.00 0.00 31.44 29.54 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1b22 n ALA 51 N 0.25 2.67 0.07 0.62 0.00 -1.26 -4.32 120.51 118.53 1b22 n ALA 51 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1b22 n ALA 51 Cb 0.32 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.15 0.00 -2.75 0.00 3.14 -1.25 -4.75 118.33 112.87 1b22 n VAL 52 Ca 0.07 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.02 1b22 n VAL 52 Cb 0.34 -0.05 -0.00 0.00 -1.06 0.00 0.00 33.84 33.06 1b22 n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b22 s ALA 53 N -1.55 3.63 0.00 1.55 0.00 -1.24 -4.19 121.76 119.95 1b22 s ALA 53 Ca 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 51.96 48.84 1b22 s ALA 53 Cb 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1b22 s ALA 53 CO 0.00 -3.06 0.00 0.98 0.00 0.00 0.00 175.76 173.68 1b22 n TYR 54 N 7.16 0.00 -3.88 0.00 9.36 -1.26 -4.79 117.16 123.75 1b22 n TYR 54 Ca 0.43 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.57 1b22 n TYR 54 Cb 0.45 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.08 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1b22 s ALA 55 N 0.00 -0.15 -0.08 2.98 0.00 -1.26 -5.12 121.76 118.14 1b22 s ALA 55 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1b22 s ALA 55 Cb 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1b22 s ALA 55 CO 0.00 -0.50 1.48 -1.25 0.00 0.00 0.00 175.76 175.49 1b22 s PRO 56 N -3.87 4.22 0.48 0.00 0.04 -1.26 -4.52 135.00 130.09 1b22 s PRO 56 Ca 0.05 1.98 0.37 0.00 0.04 0.00 0.00 61.00 63.44 1b22 s PRO 56 Cb 0.05 -3.82 1.54 0.00 0.04 0.00 0.00 34.50 32.32 1b22 s PRO 56 CO -0.11 -0.74 1.60 1.57 0.04 0.00 0.00 177.00 179.36 1b22 h LYS 57 N 8.73 0.03 -0.35 4.56 2.10 -1.93 1.41 116.57 131.11 1b22 h LYS 57 Ca -0.35 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.29 1b22 h LYS 57 Cb 1.15 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 1b22 h LYS 57 CO 0.95 0.02 0.18 -0.22 -2.00 0.00 0.00 179.45 178.38 1b22 h LYS 58 N 0.03 0.47 0.10 0.07 3.64 -1.90 0.58 116.57 119.56 1b22 h LYS 58 Ca 0.87 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 60.08 1b22 h LYS 58 Cb 2.99 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 34.73 1b22 h LYS 58 CO -0.31 0.36 -0.56 1.49 -2.27 0.00 0.00 179.45 178.16 1b22 h GLU 59 N 0.48 0.20 0.83 1.90 4.57 0.15 -2.83 114.58 119.89 1b22 h GLU 59 Ca 0.12 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1b22 h GLU 59 Cb 0.03 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1b22 h GLU 59 CO -0.02 1.17 -0.49 1.25 -1.18 0.00 0.00 179.01 179.73 1b22 h LEU 60 N -0.57 -1.23 -1.97 1.64 5.85 -1.24 -0.63 115.31 117.15 1b22 h LEU 60 Ca -0.10 0.06 0.35 0.00 0.84 0.00 0.00 57.88 59.03 1b22 h LEU 60 Cb 1.44 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 42.77 1b22 h LEU 60 CO 0.10 -0.77 0.88 0.16 -0.34 0.00 0.00 178.44 178.48 1b22 h ILE 61 N -1.24 0.37 0.00 4.05 -0.00 -1.02 0.74 117.51 120.41 1b22 h ILE 61 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.75 1b22 h ILE 61 Cb 0.98 0.38 0.00 0.00 -0.00 0.00 0.00 36.82 38.18 1b22 h ILE 61 CO 0.13 0.00 0.47 -1.13 -0.00 0.00 0.00 178.15 177.61 1b22 h ASN 62 N 0.00 0.00 0.00 2.16 -1.24 -0.84 -1.29 115.58 114.38 1b22 h ASN 62 Ca 0.57 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.58 1b22 h ASN 62 Cb 2.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.38 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 -2.18 0.00 1.22 2.57 5.41 0.26 -2.07 119.36 124.56 1b22 n ILE 63 Ca -0.01 0.77 0.14 0.00 1.00 0.00 0.00 62.75 64.65 1b22 n ILE 63 Cb 0.48 -1.30 0.69 0.00 -0.71 0.00 0.00 39.64 38.80 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 -0.52 0.22 0.00 0.38 4.76 -1.20 -4.86 118.16 116.94 1b22 n LYS 64 Ca 0.00 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 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 1.39 1.76 0.00 0.72 0.00 -0.88 -5.12 105.19 103.07 1b22 n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.84 0.00 0.00 -0.61 -0.00 -0.51 -4.90 119.36 112.50 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 -4.46 113.62 115.90 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 -2.99 114.58 119.04 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 -1.86 -0.00 0.09 3.43 0.00 -1.26 0.06 120.51 120.98 1b22 n ALA 69 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1b22 n ALA 69 Cb 0.05 0.26 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 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 0.42 0.21 0.00 1.79 -1.97 -3.09 116.57 113.93 1b22 h LYS 70 Ca 0.00 -0.72 0.00 0.00 -2.18 0.00 0.00 60.65 57.76 1b22 h LYS 70 Cb 0.00 0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1b22 h LYS 70 CO 0.00 1.34 -0.39 0.00 -1.08 0.00 0.00 179.45 179.32 1b22 h ALA 71 N 0.10 -0.96 -0.41 3.86 0.00 -1.54 -2.46 119.26 117.85 1b22 h ALA 71 Ca -0.23 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1b22 h ALA 71 Cb 1.95 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 20.38 1b22 h ALA 71 CO 0.20 -1.03 -0.16 0.22 0.00 0.00 0.00 179.25 178.48 1b22 h ASP 72 N -0.65 -0.57 -1.67 0.00 1.82 -0.53 0.30 116.42 115.11 1b22 h ASP 72 Ca -0.02 0.15 0.49 0.00 -0.39 0.00 0.00 57.03 57.25 1b22 h ASP 72 Cb 0.61 0.33 -0.07 0.00 0.68 0.00 0.00 39.33 40.88 1b22 h ASP 72 CO -0.15 -0.20 1.25 0.50 -1.61 0.00 0.00 179.24 179.03 1b22 h LYS 73 N -0.08 0.00 -0.01 0.28 1.63 -1.36 0.59 116.57 117.62 1b22 h LYS 73 Ca 0.20 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 1b22 h LYS 73 Cb 0.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1b22 h LYS 73 CO -0.47 0.00 -0.14 0.97 -3.45 0.00 0.00 179.45 176.36 1b22 h ILE 74 N 0.00 1.54 -0.00 2.00 2.10 -0.07 -2.68 117.51 120.39 1b22 h ILE 74 Ca 0.79 -1.78 0.00 0.00 1.08 0.00 0.00 64.86 64.96 1b22 h ILE 74 Cb 3.28 2.66 -0.00 0.00 -1.09 0.00 0.00 36.82 41.67 1b22 h ILE 74 CO -0.01 0.48 0.00 -0.07 -1.08 0.00 0.00 178.15 177.47 1b22 h LEU 75 N -0.54 0.00 0.08 2.19 3.38 0.25 0.48 115.31 121.14 1b22 h LEU 75 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1b22 h LEU 75 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1b22 h LEU 75 CO 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.52 1b22 h ALA 76 N 2.00 -0.11 -0.44 1.53 0.00 -1.18 -3.02 119.26 118.04 1b22 h ALA 76 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1b22 h ALA 76 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1b22 h ALA 76 CO -0.00 -0.11 -0.09 0.93 0.00 0.00 0.00 179.25 179.98 1b22 h GLU 77 N -1.00 0.83 -0.66 0.00 3.07 -1.13 -2.78 114.58 112.91 1b22 h GLU 77 Ca -0.01 -0.31 0.13 0.00 -0.50 0.00 0.00 59.36 58.67 1b22 h GLU 77 Cb 0.31 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.08 1b22 h GLU 77 CO 0.02 0.94 0.17 0.00 -1.40 0.00 0.00 179.01 178.73 1b22 h ALA 78 N 0.87 0.83 0.00 3.43 0.00 -0.19 1.51 119.26 125.70 1b22 h ALA 78 Ca 0.11 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1b22 h ALA 78 Cb 0.62 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1b22 h ALA 78 CO 0.04 -0.29 -0.22 0.00 0.00 0.00 0.00 179.25 178.78 1b22 h ALA 79 N 1.52 1.20 -0.61 0.00 0.00 -1.40 -2.64 119.26 117.34 1b22 h ALA 79 Ca 0.35 -0.20 -0.44 0.00 0.00 0.00 0.00 54.91 54.63 1b22 h ALA 79 Cb 0.55 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 17.92 1b22 h ALA 79 CO -0.43 0.27 -0.84 1.17 0.00 0.00 0.00 179.25 179.42 1b22 n LYS 80 N -3.65 3.03 0.03 0.00 3.00 0.11 -4.64 118.16 116.05 1b22 n LYS 80 Ca -0.01 -3.93 0.00 0.00 -0.00 0.00 0.00 58.31 54.37 1b22 n LYS 80 Cb 0.34 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.32 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1b22 n LEU 81 N -0.70 -0.52 -2.60 3.14 -0.00 0.47 -4.90 117.00 111.89 1b22 n LEU 81 Ca 0.35 0.13 -0.25 0.00 -0.00 0.00 0.00 56.01 56.24 1b22 n LEU 81 Cb 0.92 0.79 -0.00 0.00 -0.00 0.00 0.00 43.42 45.12 1b22 n LEU 81 CO 0.29 -0.42 0.14 0.55 -0.00 0.00 0.00 177.39 177.95 1b22 n VAL 82 N -2.66 2.27 -2.37 1.96 3.14 -1.01 -5.01 118.33 114.66 1b22 n VAL 82 Ca 0.00 -4.84 -0.42 0.00 -2.96 0.00 0.00 64.34 56.12 1b22 n VAL 82 Cb 0.00 -1.05 -0.03 0.00 -1.06 0.00 0.00 33.84 31.70 1b22 n VAL 82 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1b22 s PRO 83 N -3.45 4.38 -0.15 1.45 0.04 -1.20 -4.62 135.00 131.44 1b22 s PRO 83 Ca 0.46 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 63.17 1b22 s PRO 83 Cb 0.38 -3.41 0.04 0.00 0.04 0.00 0.00 34.50 31.55 1b22 s PRO 83 CO -0.15 -0.36 0.41 1.41 0.04 0.00 0.00 177.00 178.34 1b22 s MET 84 N 1.49 0.47 0.00 4.56 1.75 -1.26 -5.14 119.30 121.16 1b22 s MET 84 Ca 0.59 0.59 0.00 0.00 -1.25 0.00 0.00 55.69 55.63 1b22 s MET 84 Cb -0.30 0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.58 1b22 s MET 84 CO 0.27 -0.07 0.00 0.41 -0.65 0.00 0.00 175.02 174.99