#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cry s ASP 2 N 0.00 4.05 0.33 1.08 2.15 -1.26 -4.83 116.67 118.19 1cry s ASP 2 Ca 0.00 -0.30 0.02 0.00 0.43 0.00 0.00 52.55 52.70 1cry s ASP 2 Cb 0.00 -1.51 0.59 0.00 -0.30 0.00 0.00 42.92 41.70 1cry s ASP 2 CO 0.00 0.19 1.95 0.00 -0.17 0.00 0.00 175.17 177.14 1cry h ALA 3 N 6.50 1.56 -0.53 3.66 0.00 -1.86 -0.59 119.26 128.00 1cry h ALA 3 Ca -0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1cry h ALA 3 Cb 1.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1cry h ALA 3 CO 0.55 0.34 0.03 0.00 0.00 0.00 0.00 179.25 180.18 1cry h ALA 4 N 1.55 1.06 -0.02 0.00 0.00 -1.96 -1.16 119.26 118.73 1cry h ALA 4 Ca 0.33 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1cry h ALA 4 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1cry h ALA 4 CO -0.11 0.59 -0.25 1.03 0.00 0.00 0.00 179.25 180.52 1cry h SER 5 N 0.82 0.25 -0.01 0.00 0.87 -1.86 -3.23 113.55 110.40 1cry h SER 5 Ca 0.16 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1cry h SER 5 Cb 0.44 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1cry h SER 5 CO 0.02 0.94 0.01 1.23 -0.53 0.00 0.00 176.83 178.50 1cry h GLY 6 N -0.41 0.00 1.94 5.77 0.00 -0.82 -1.06 103.07 108.49 1cry h GLY 6 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1cry h GLY 6 CO 0.05 0.00 -0.41 -2.09 0.00 0.00 0.00 176.54 174.09 1cry h GLU 7 N 0.00 0.07 0.50 4.80 4.81 -1.23 -2.78 114.58 120.74 1cry h GLU 7 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1cry h GLU 7 Cb 0.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1cry h GLU 7 CO -0.00 0.46 -0.24 1.96 -0.73 0.00 0.00 179.01 180.46 1cry h GLN 8 N 0.06 -0.65 -0.06 1.92 4.20 -1.32 -2.99 115.11 116.27 1cry h GLN 8 Ca 0.00 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1cry h GLN 8 Cb 0.75 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1cry h GLN 8 CO 0.06 -0.35 0.12 -0.24 -0.67 0.00 0.00 178.83 177.75 1cry h VAL 9 N -0.92 0.24 0.00 -0.54 3.04 -1.56 0.13 116.25 116.65 1cry h VAL 9 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1cry h VAL 9 Cb 0.60 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1cry h VAL 9 CO 0.11 0.00 0.00 0.15 -1.01 0.00 0.00 177.57 176.82 1cry h PHE 10 N 0.00 0.00 -0.74 3.17 3.57 -1.34 -3.11 116.94 118.49 1cry h PHE 10 Ca 0.03 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.66 1cry h PHE 10 Cb 0.27 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 1cry h PHE 10 CO 0.00 0.00 0.29 0.87 -2.23 0.00 0.00 178.31 177.24 1cry h LYS 11 N 0.00 0.43 0.00 1.11 1.57 -0.73 1.66 116.57 120.61 1cry h LYS 11 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1cry h LYS 11 Cb 0.58 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1cry h LYS 11 CO 0.00 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1cry n GLN 12 N -5.00 0.73 -0.09 3.15 10.64 -1.17 -2.69 117.38 122.94 1cry n GLN 12 Ca 0.14 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.15 1cry n GLN 12 Cb 0.39 -1.37 -0.08 0.00 -0.86 0.00 0.00 30.24 28.33 1cry n GLN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cry h LEU 14 N -0.25 0.00 -1.33 0.00 5.85 0.61 -0.54 115.31 119.64 1cry h LEU 14 Ca -0.44 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.49 1cry h LEU 14 Cb 1.56 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.51 1cry h LEU 14 CO -0.15 0.00 0.61 0.58 -0.34 0.00 0.00 178.44 179.15 1cry h VAL 15 N 0.00 0.67 0.00 1.05 2.07 -1.79 -2.99 116.25 115.26 1cry h VAL 15 Ca 0.21 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1cry h VAL 15 Cb 1.13 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1cry h VAL 15 CO -0.00 0.10 -0.26 0.00 0.02 0.00 0.00 177.57 177.43 1cry s HIS 17 N -1.30 1.30 0.30 0.00 3.76 -0.33 -0.76 115.29 118.27 1cry s HIS 17 Ca 0.00 -0.47 0.09 0.00 -0.15 0.00 0.00 55.06 54.53 1cry s HIS 17 Cb 0.01 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 1cry s HIS 17 CO 0.04 0.08 0.04 -1.12 -0.85 0.00 0.00 174.74 172.93 1cry s SER 18 N -1.86 4.51 0.15 1.40 0.01 -1.26 -3.76 113.70 112.89 1cry s SER 18 Ca 0.00 -0.74 -0.25 0.00 1.31 0.00 0.00 55.95 56.28 1cry s SER 18 Cb -0.09 -0.76 0.06 0.00 0.21 0.00 0.00 66.02 65.45 1cry s SER 18 CO 0.03 -0.12 0.82 -0.51 0.41 0.00 0.00 173.24 173.86 1cry s ILE 19 N -2.39 0.00 0.00 1.44 2.07 -1.26 0.01 121.20 121.07 1cry s ILE 19 Ca 0.34 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1cry s ILE 19 Cb -0.04 -1.56 0.00 0.00 0.13 0.00 0.00 42.46 40.98 1cry s ILE 19 CO 0.20 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.84 1cry n GLY 20 N -0.40 -1.68 3.87 1.50 0.00 -1.26 -4.64 105.19 102.58 1cry n GLY 20 Ca -0.08 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1cry n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cry s PRO 21 N 0.00 3.82 -2.00 1.61 0.04 -1.25 -3.54 135.00 133.68 1cry s PRO 21 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1cry s PRO 21 Cb 0.00 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1cry s PRO 21 CO 0.00 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.47 1cry n GLY 22 N -1.04 1.82 3.63 0.56 0.00 -1.26 -4.91 105.19 103.98 1cry n GLY 22 Ca 0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1cry n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cry s ALA 23 N -2.66 3.29 0.09 4.61 0.00 -1.25 -4.99 121.76 120.84 1cry s ALA 23 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1cry s ALA 23 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1cry s ALA 23 CO 0.00 -1.92 -0.14 -1.59 0.00 0.00 0.00 175.76 172.11 1cry s LYS 24 N 4.57 2.03 0.98 0.00 0.00 -1.26 -4.95 119.74 121.10 1cry s LYS 24 Ca 0.68 -1.05 -0.13 0.00 0.00 0.00 0.00 55.97 55.47 1cry s LYS 24 Cb -0.23 -2.23 0.06 0.00 0.00 0.00 0.00 37.83 35.43 1cry s LYS 24 CO 0.28 0.51 0.39 0.09 0.00 0.00 0.00 175.35 176.62 1cry n ASN 25 N 0.98 -2.02 0.00 0.03 3.02 -1.26 -4.67 115.26 111.34 1cry n ASN 25 Ca -0.15 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1cry n ASN 25 Cb 0.52 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1cry n ASN 25 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1cry n LYS 26 N -1.93 0.00 0.27 3.52 5.02 -1.26 -4.97 118.16 118.81 1cry n LYS 26 Ca 0.06 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.48 1cry n LYS 26 Cb 0.55 0.00 0.77 0.00 -0.02 0.00 0.00 35.03 36.33 1cry n LYS 26 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1cry h VAL 27 N 0.00 0.52 -3.87 -0.18 2.07 -1.88 -3.43 116.25 109.48 1cry h VAL 27 Ca 0.00 -0.45 -0.21 0.00 0.82 0.00 0.00 66.70 66.86 1cry h VAL 27 Cb 0.00 1.29 -0.15 0.00 -1.52 0.00 0.00 31.29 30.92 1cry h VAL 27 CO 0.00 0.09 -0.69 -0.83 0.02 0.00 0.00 177.57 176.16 1cry s GLY 28 N -4.18 0.75 0.28 2.17 0.00 0.06 -5.04 107.32 101.36 1cry s GLY 28 Ca -0.03 -1.34 -0.29 0.00 0.00 0.00 0.00 44.72 43.05 1cry s GLY 28 CO 0.57 -1.44 1.37 2.56 0.00 0.00 0.00 173.10 176.17 1cry s PRO 29 N -3.85 4.31 0.37 2.90 0.04 -1.26 -4.56 135.00 132.94 1cry s PRO 29 Ca 0.12 2.26 -0.28 0.00 0.04 0.00 0.00 61.00 63.14 1cry s PRO 29 Cb 0.06 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.39 1cry s PRO 29 CO -0.05 -0.31 1.35 1.55 0.04 0.00 0.00 177.00 179.57 1cry n VAL 30 N 1.63 2.10 -0.47 -0.36 3.14 -1.26 -4.57 118.33 118.53 1cry n VAL 30 Ca 0.04 -0.50 -0.07 0.00 -2.96 0.00 0.00 64.34 60.85 1cry n VAL 30 Cb 0.41 -1.69 0.20 0.00 -1.06 0.00 0.00 33.84 31.70 1cry n VAL 30 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1cry n LEU 31 N 0.57 5.07 -4.70 6.55 4.77 0.10 -4.92 117.00 124.44 1cry n LEU 31 Ca 0.04 -2.64 -0.42 0.00 -0.03 0.00 0.00 56.01 52.96 1cry n LEU 31 Cb 0.37 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1cry n LEU 31 CO 0.62 0.72 0.74 0.20 -1.33 0.00 0.00 177.39 178.34 1cry s ASN 32 N -0.59 7.28 -0.97 -1.43 0.01 -1.26 -3.64 114.94 114.33 1cry s ASN 32 Ca 0.40 1.56 -0.05 0.00 -0.71 0.00 0.00 52.86 54.05 1cry s ASN 32 Cb 0.32 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 1cry s ASN 32 CO 0.09 -0.37 0.85 0.61 -1.51 0.00 0.00 177.10 176.77 1cry n GLY 33 N 3.04 -1.18 0.08 0.66 0.00 -1.26 -4.32 105.19 102.20 1cry n GLY 33 Ca 0.07 0.55 -0.15 0.00 0.00 0.00 0.00 46.02 46.49 1cry n GLY 33 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cry h LEU 34 N -0.70 0.00 -9.32 0.99 5.85 -1.90 -3.41 115.31 106.81 1cry h LEU 34 Ca -0.45 -0.76 -0.54 0.00 0.84 0.00 0.00 57.88 56.97 1cry h LEU 34 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1cry h LEU 34 CO 0.40 1.10 1.03 -0.36 -0.34 0.00 0.00 178.44 180.27 1cry s PHE 35 N -2.22 2.22 0.00 1.25 0.08 -1.26 -2.59 117.98 115.46 1cry s PHE 35 Ca -0.20 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.16 1cry s PHE 35 Cb -0.00 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 1cry s PHE 35 CO 0.60 -3.64 0.00 0.41 -0.10 0.00 0.00 175.22 172.49 1cry n GLY 36 N 4.02 3.10 3.57 4.36 0.00 0.54 -5.02 105.19 115.76 1cry n GLY 36 Ca 0.16 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1cry n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1cry n ARG 37 N 0.00 0.98 -2.59 1.61 1.85 -1.07 -4.54 116.66 112.91 1cry n ARG 37 Ca 0.00 0.36 -0.41 0.00 -1.00 0.00 0.00 57.85 56.80 1cry n ARG 37 Cb 0.00 -1.97 -0.04 0.00 -1.05 0.00 0.00 32.46 29.40 1cry n ARG 37 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1cry s HIS 38 N -1.45 3.66 0.57 2.89 3.76 -1.26 -2.51 115.29 120.94 1cry s HIS 38 Ca 0.68 1.65 -0.19 0.00 -0.15 0.00 0.00 55.06 57.06 1cry s HIS 38 Cb -0.49 -3.20 -0.07 0.00 1.11 0.00 0.00 32.58 29.92 1cry s HIS 38 CO 0.53 -0.35 0.69 0.45 -0.85 0.00 0.00 174.74 175.22 1cry n SER 39 N 2.65 -0.33 -2.46 1.40 2.88 -1.26 -1.75 113.62 114.76 1cry n SER 39 Ca 0.03 0.78 -0.07 0.00 -1.33 0.00 0.00 58.87 58.27 1cry n SER 39 Cb 0.47 -1.25 -0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1cry n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cry n GLY 40 N 1.59 -0.49 0.11 0.46 0.00 -1.26 -4.79 105.19 100.80 1cry n GLY 40 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1cry n GLY 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cry h THR 41 N 0.00 0.82 -3.98 2.61 2.02 -1.73 -3.45 112.91 109.20 1cry h THR 41 Ca -0.18 -2.60 -0.54 0.00 0.77 0.00 0.00 66.41 63.87 1cry h THR 41 Cb 1.13 2.51 0.11 0.00 -1.74 0.00 0.00 68.15 70.16 1cry h THR 41 CO 0.21 0.70 0.70 0.27 0.37 0.00 0.00 175.52 177.76 1cry s ILE 42 N -2.59 2.13 0.01 3.11 -5.25 -1.26 -4.98 121.20 112.38 1cry s ILE 42 Ca -0.12 0.12 -0.04 0.00 -0.99 0.00 0.00 60.65 59.63 1cry s ILE 42 Cb 0.07 -3.07 -0.04 0.00 2.95 0.00 0.00 42.46 42.37 1cry s ILE 42 CO 0.81 0.02 0.22 -1.83 -1.79 0.00 0.00 174.94 172.37 1cry s GLU 43 N -2.41 3.49 0.00 0.37 1.03 -1.26 -4.22 118.70 115.70 1cry s GLU 43 Ca 0.60 -0.25 0.00 0.00 0.03 0.00 0.00 54.97 55.35 1cry s GLU 43 Cb -0.43 -3.07 0.00 0.00 -0.80 0.00 0.00 34.13 29.83 1cry s GLU 43 CO 0.56 0.65 0.00 0.41 -1.33 0.00 0.00 175.26 175.54 1cry n GLY 44 N 0.86 0.82 3.05 -3.83 0.00 -1.26 -5.04 105.19 99.79 1cry n GLY 44 Ca -0.10 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1cry n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cry s PHE 45 N -2.00 1.93 -1.29 1.61 5.36 -1.26 -4.96 117.98 117.37 1cry s PHE 45 Ca 0.00 -0.91 -0.12 0.00 -0.96 0.00 0.00 56.93 54.94 1cry s PHE 45 Cb 0.00 -1.40 0.14 0.00 -0.34 0.00 0.00 43.02 41.41 1cry s PHE 45 CO 0.00 -0.47 1.80 0.00 -1.46 0.00 0.00 175.22 175.09 1cry n ALA 46 N 4.22 4.79 -0.74 11.12 0.00 -1.26 -4.97 120.51 133.66 1cry n ALA 46 Ca -0.19 -4.17 -0.31 0.00 0.00 0.00 0.00 53.44 48.77 1cry n ALA 46 Cb 0.51 -3.16 0.17 0.00 0.00 0.00 0.00 19.45 16.97 1cry n ALA 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1cry s TYR 47 N 1.59 1.69 0.50 0.00 2.02 -1.26 -5.00 117.35 116.89 1cry s TYR 47 Ca 0.43 1.70 -0.08 0.00 -0.37 0.00 0.00 57.07 58.76 1cry s TYR 47 Cb 0.06 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.29 1cry s TYR 47 CO -0.00 -2.82 0.85 0.45 -1.57 0.00 0.00 175.55 172.46 1cry s SER 48 N -2.74 6.31 0.07 2.29 0.15 -1.26 -4.93 113.70 113.60 1cry s SER 48 Ca 0.66 1.10 -0.22 0.00 0.70 0.00 0.00 55.95 58.20 1cry s SER 48 Cb -0.22 -2.32 -0.13 0.00 -1.71 0.00 0.00 66.02 61.63 1cry s SER 48 CO 0.58 -0.62 1.60 0.44 1.20 0.00 0.00 173.24 176.45 1cry h ASP 49 N 0.29 0.13 -0.82 5.45 3.32 -1.94 -1.55 116.42 121.30 1cry h ASP 49 Ca -0.46 -0.17 0.20 0.00 0.02 0.00 0.00 57.03 56.62 1cry h ASP 49 Cb 1.20 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.57 1cry h ASP 49 CO 0.62 0.26 0.09 0.00 -1.72 0.00 0.00 179.24 178.50 1cry h ALA 50 N 0.87 0.99 0.23 3.45 0.00 -1.93 1.35 119.26 124.23 1cry h ALA 50 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1cry h ALA 50 Cb 0.17 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1cry h ALA 50 CO -0.00 -0.44 -0.11 -0.97 0.00 0.00 0.00 179.25 177.72 1cry h ASN 51 N 0.14 -0.26 0.80 0.00 -0.73 -1.87 -3.27 115.58 110.39 1cry h ASN 51 Ca 0.48 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1cry h ASN 51 Cb 0.90 0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.56 1cry h ASN 51 CO -0.68 0.26 0.00 2.29 -0.37 0.00 0.00 177.43 178.93 1cry n LYS 52 N -4.98 0.13 -0.26 6.67 2.85 -0.60 -3.01 118.16 118.96 1cry n LYS 52 Ca -0.07 0.30 0.08 0.00 -1.05 0.00 0.00 58.31 57.57 1cry n LYS 52 Cb 0.23 -1.72 0.22 0.00 -0.65 0.00 0.00 35.03 33.11 1cry n LYS 52 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1cry n ASN 53 N -1.96 3.34 -0.02 -5.58 3.02 0.46 -4.60 115.26 109.92 1cry n ASN 53 Ca 0.03 -2.02 -0.17 0.00 -0.03 0.00 0.00 54.58 52.40 1cry n ASN 53 Cb 0.25 -0.34 -0.09 0.00 -0.61 0.00 0.00 39.78 39.00 1cry n ASN 53 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1cry h SER 54 N 2.89 0.74 -0.31 6.41 4.64 -1.58 -3.49 113.55 122.85 1cry h SER 54 Ca 0.00 -0.66 -0.06 0.00 -0.47 0.00 0.00 61.79 60.60 1cry h SER 54 Cb 0.84 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1cry h SER 54 CO 0.01 1.29 -0.07 0.61 -0.87 0.00 0.00 176.83 177.79 1cry n GLY 55 N 0.78 0.38 0.20 -0.77 0.00 -1.26 -4.99 105.19 99.52 1cry n GLY 55 Ca -0.08 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1cry n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1cry h ILE 56 N 0.00 0.71 -5.38 -0.61 2.04 -1.92 -3.48 117.51 108.87 1cry h ILE 56 Ca -0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1cry h ILE 56 Cb 0.74 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1cry h ILE 56 CO 0.08 0.06 -1.09 1.07 0.00 0.00 0.00 178.15 178.27 1cry n THR 57 N -5.21 -9.89 -1.79 -0.27 5.66 -1.26 -4.77 114.28 96.74 1cry n THR 57 Ca -0.10 1.78 -0.27 0.00 -3.05 0.00 0.00 64.05 62.41 1cry n THR 57 Cb 0.23 -5.87 -0.05 0.00 -1.55 0.00 0.00 70.33 63.09 1cry n THR 57 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1cry s TRP 58 N -1.12 1.40 0.18 1.09 0.52 -1.05 -4.90 118.94 115.07 1cry s TRP 58 Ca -0.09 1.30 0.08 0.00 0.02 0.00 0.00 56.10 57.41 1cry s TRP 58 Cb 0.01 -3.76 -0.04 0.00 -1.15 0.00 0.00 33.47 28.53 1cry s TRP 58 CO 0.61 -1.98 -0.01 0.95 0.02 0.00 0.00 176.95 176.54 1cry s THR 59 N 11.86 3.67 0.38 2.01 -4.23 -1.26 -0.34 115.64 127.73 1cry s THR 59 Ca 0.83 -1.47 0.21 0.00 -1.18 0.00 0.00 61.69 60.07 1cry s THR 59 Cb -0.12 -2.85 0.39 0.00 1.34 0.00 0.00 72.50 71.26 1cry s THR 59 CO 0.12 -0.13 1.67 -0.33 -0.54 0.00 0.00 174.62 175.41 1cry h GLU 60 N 2.65 0.24 -0.33 3.99 5.08 -1.98 -0.24 114.58 123.99 1cry h GLU 60 Ca -0.47 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 1cry h GLU 60 Cb 1.21 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1cry h GLU 60 CO 0.58 0.16 -0.35 1.49 -1.00 0.00 0.00 179.01 179.89 1cry h GLU 61 N 0.24 0.74 0.06 2.33 4.81 -1.97 -2.19 114.58 118.60 1cry h GLU 61 Ca 0.74 -0.36 -0.28 0.00 -0.13 0.00 0.00 59.36 59.34 1cry h GLU 61 Cb 1.97 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.32 1cry h GLU 61 CO -0.50 0.97 -1.43 -0.24 -0.73 0.00 0.00 179.01 177.09 1cry h VAL 62 N 0.62 1.24 -0.65 0.32 3.04 -1.44 -3.22 116.25 116.15 1cry h VAL 62 Ca 0.06 -2.95 -0.03 0.00 -1.01 0.00 0.00 66.70 62.78 1cry h VAL 62 Cb 0.88 2.71 -0.03 0.00 -2.01 0.00 0.00 31.29 32.84 1cry h VAL 62 CO 0.08 0.79 0.30 0.15 -1.01 0.00 0.00 177.57 177.88 1cry h PHE 63 N 0.03 0.92 -0.65 3.17 3.04 -1.23 0.25 116.94 122.47 1cry h PHE 63 Ca -0.19 -0.04 0.06 0.00 3.98 0.00 0.00 57.97 61.79 1cry h PHE 63 Cb 1.95 -0.29 -0.04 0.00 2.56 0.00 0.00 35.95 40.13 1cry h PHE 63 CO 0.03 0.68 0.43 -0.09 -2.02 0.00 0.00 178.31 177.34 1cry h ARG 64 N 0.92 0.62 0.09 1.11 2.43 -1.45 0.25 114.38 118.36 1cry h ARG 64 Ca 0.22 -0.04 -0.32 0.00 -0.81 0.00 0.00 59.98 59.04 1cry h ARG 64 Cb 0.11 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1cry h ARG 64 CO -0.03 0.41 -1.70 1.49 -1.51 0.00 0.00 179.97 178.64 1cry h GLU 65 N 0.64 0.20 0.00 0.20 4.81 -1.35 -3.25 114.58 115.82 1cry h GLU 65 Ca 0.28 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1cry h GLU 65 Cb 0.28 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1cry h GLU 65 CO -0.09 1.00 0.00 0.98 -0.73 0.00 0.00 179.01 180.18 1cry n TYR 66 N -3.37 0.00 -0.41 0.92 9.36 0.81 -3.15 117.16 121.31 1cry n TYR 66 Ca -0.21 0.00 0.35 0.00 3.32 0.00 0.00 57.90 61.36 1cry n TYR 66 Cb 1.05 -0.50 0.62 0.00 -0.63 0.00 0.00 39.34 39.89 1cry n TYR 66 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 1cry h ILE 67 N 0.00 0.10 -0.30 2.97 6.09 -1.15 0.99 117.51 126.21 1cry h ILE 67 Ca 0.00 -0.03 0.05 0.00 -1.37 0.00 0.00 64.86 63.52 1cry h ILE 67 Cb 0.00 0.01 -0.05 0.00 0.47 0.00 0.00 36.82 37.25 1cry h ILE 67 CO 0.00 0.02 -0.01 -0.09 -3.07 0.00 0.00 178.15 174.99 1cry h ARG 68 N 0.08 0.07 -0.96 2.19 2.43 -1.58 0.14 114.38 116.76 1cry h ARG 68 Ca 0.83 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.95 1cry h ARG 68 Cb 2.46 -0.02 -0.19 0.00 -0.42 0.00 0.00 29.97 31.80 1cry h ARG 68 CO -0.51 0.05 -0.43 0.34 -1.51 0.00 0.00 179.97 177.91 1cry s ASP 69 N -5.24 -1.48 0.11 -3.80 2.15 0.32 -3.80 116.67 104.93 1cry s ASP 69 Ca -0.13 -0.71 -0.25 0.00 0.43 0.00 0.00 52.55 51.89 1cry s ASP 69 Cb 0.12 1.89 -0.08 0.00 -0.30 0.00 0.00 42.92 44.55 1cry s ASP 69 CO 0.70 -0.17 1.42 -0.65 -0.17 0.00 0.00 175.17 176.30 1cry h PRO 70 N 6.96 -0.22 -0.02 4.34 0.11 -1.21 -1.95 132.00 140.00 1cry h PRO 70 Ca 0.04 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.17 1cry h PRO 70 Cb 1.18 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1cry h PRO 70 CO 0.09 -0.15 0.71 -0.22 -0.21 0.00 0.00 178.00 178.23 1cry h LYS 71 N -0.23 0.00 0.00 1.05 1.63 -1.84 0.72 116.57 117.90 1cry h LYS 71 Ca 0.07 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1cry h LYS 71 Cb 0.42 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1cry h LYS 71 CO -0.52 0.00 -1.31 0.00 -3.45 0.00 0.00 179.45 174.17 1cry n ALA 72 N -1.69 2.59 -0.04 5.00 0.00 -0.74 -2.83 120.51 122.80 1cry n ALA 72 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1cry n ALA 72 Cb 0.74 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 1cry n ALA 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cry n LYS 73 N -2.56 1.02 -3.19 0.00 4.76 0.24 -4.56 118.16 113.88 1cry n LYS 73 Ca -0.01 -0.08 -0.21 0.00 -2.87 0.00 0.00 58.31 55.13 1cry n LYS 73 Cb 0.56 -1.39 -0.05 0.00 -1.84 0.00 0.00 35.03 32.31 1cry n LYS 73 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1cry n ILE 74 N -2.33 -0.15 -1.64 -0.18 5.41 -0.64 -5.09 119.36 114.74 1cry n ILE 74 Ca -0.14 -4.41 -0.46 0.00 1.00 0.00 0.00 62.75 58.74 1cry n ILE 74 Cb 0.72 -1.13 -0.04 0.00 -0.71 0.00 0.00 39.64 38.48 1cry n ILE 74 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1cry n PRO 75 N 0.78 2.29 -0.02 0.38 -0.04 -1.13 -1.00 135.00 136.26 1cry n PRO 75 Ca 0.24 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1cry n PRO 75 Cb 0.58 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1cry n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cry n GLY 76 N 4.85 0.93 3.75 0.55 0.00 -1.26 -4.96 105.19 109.04 1cry n GLY 76 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1cry n GLY 76 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cry s THR 77 N -2.00 3.00 0.01 2.61 -1.32 -0.17 -4.86 115.64 112.90 1cry s THR 77 Ca 0.00 0.32 0.22 0.00 -1.21 0.00 0.00 61.69 61.02 1cry s THR 77 Cb 0.00 -2.85 0.20 0.00 -1.51 0.00 0.00 72.50 68.34 1cry s THR 77 CO 0.00 -0.42 1.71 0.11 -2.21 0.00 0.00 174.62 173.80 1cry h LYS 78 N -1.32 0.00 -5.93 7.08 1.57 -1.97 -3.42 116.57 112.58 1cry h LYS 78 Ca -0.47 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.87 1cry h LYS 78 Cb 1.26 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 1cry h LYS 78 CO 0.54 0.28 1.15 1.41 -0.57 0.00 0.00 179.45 182.26 1cry s MET 79 N -3.43 2.67 -0.54 3.15 1.75 -1.26 -4.93 119.30 116.72 1cry s MET 79 Ca 0.02 0.21 -0.20 0.00 -1.25 0.00 0.00 55.69 54.47 1cry s MET 79 Cb 0.09 -4.62 0.07 0.00 2.84 0.00 0.00 34.83 33.21 1cry s MET 79 CO 0.67 -2.88 0.71 0.42 -0.65 0.00 0.00 175.02 173.29 1cry s ILE 80 N 9.03 4.76 -0.21 10.11 1.01 -1.26 -4.80 121.20 139.83 1cry s ILE 80 Ca 0.65 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.62 1cry s ILE 80 Cb -0.10 -4.40 0.06 0.00 0.01 0.00 0.00 42.46 38.03 1cry s ILE 80 CO 0.13 -0.96 0.57 0.12 0.00 0.00 0.00 174.94 174.80 1cry s PHE 81 N 2.92 -0.63 -0.42 3.97 5.36 -1.26 -5.10 117.98 122.82 1cry s PHE 81 Ca 0.17 1.54 -0.14 0.00 -0.96 0.00 0.00 56.93 57.53 1cry s PHE 81 Cb -0.19 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 42.74 1cry s PHE 81 CO 0.12 -0.31 0.30 0.00 -1.46 0.00 0.00 175.22 173.87 1cry s ALA 82 N 0.35 3.46 0.30 11.12 0.00 -1.26 -4.58 121.76 131.16 1cry s ALA 82 Ca -0.00 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1cry s ALA 82 Cb -0.04 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1cry s ALA 82 CO 0.00 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.66 1cry n GLY 83 N 5.14 -1.10 2.92 0.00 0.00 -1.25 -4.86 105.19 106.04 1cry n GLY 83 Ca -0.11 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1cry n GLY 83 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cry n VAL 84 N -1.59 4.81 -1.04 1.61 0.31 0.48 -4.82 118.33 118.08 1cry n VAL 84 Ca 0.00 -5.08 -0.31 0.00 -0.01 0.00 0.00 64.34 58.94 1cry n VAL 84 Cb 0.00 -2.22 -0.02 0.00 -0.91 0.00 0.00 33.84 30.68 1cry n VAL 84 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1cry n LYS 85 N 2.69 2.69 -3.28 5.55 5.02 -1.25 -4.39 118.16 125.19 1cry n LYS 85 Ca 0.34 -1.83 -0.06 0.00 -2.02 0.00 0.00 58.31 54.74 1cry n LYS 85 Cb 0.35 -2.66 -0.05 0.00 -0.02 0.00 0.00 35.03 32.64 1cry n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cry s ASP 86 N 3.05 -0.12 0.24 4.39 1.11 -1.26 -5.07 116.67 119.00 1cry s ASP 86 Ca 0.52 0.10 -0.07 0.00 0.18 0.00 0.00 52.55 53.29 1cry s ASP 86 Cb 0.14 1.35 0.23 0.00 1.07 0.00 0.00 42.92 45.71 1cry s ASP 86 CO -0.04 -0.31 1.89 -0.08 1.18 0.00 0.00 175.17 177.81 1cry h GLU 87 N 8.13 1.29 0.47 8.23 4.81 -2.01 -2.35 114.58 133.16 1cry h GLU 87 Ca -0.14 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1cry h GLU 87 Cb 1.15 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1cry h GLU 87 CO 0.26 0.90 -0.22 1.96 -0.73 0.00 0.00 179.01 181.17 1cry h GLN 88 N 1.31 -0.61 -0.34 1.92 4.20 -1.97 -3.18 115.11 116.44 1cry h GLN 88 Ca 0.34 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.15 1cry h GLN 88 Cb -0.06 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.78 1cry h GLN 88 CO -0.06 -0.37 -0.43 0.87 -0.67 0.00 0.00 178.83 178.17 1cry h LYS 89 N -0.69 -0.35 -0.99 1.46 1.79 -1.95 -2.28 116.57 113.56 1cry h LYS 89 Ca -0.06 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.59 1cry h LYS 89 Cb 0.51 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.15 1cry h LYS 89 CO 0.11 -0.23 0.60 0.28 -1.08 0.00 0.00 179.45 179.12 1cry h VAL 90 N -0.37 0.80 -0.49 0.50 2.07 -1.49 0.29 116.25 117.56 1cry h VAL 90 Ca 0.12 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1cry h VAL 90 Cb 0.59 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1cry h VAL 90 CO -0.53 0.15 -0.12 0.28 0.02 0.00 0.00 177.57 177.38 1cry h SER 91 N 0.85 0.91 1.13 0.57 0.02 -1.39 -1.58 113.55 114.05 1cry h SER 91 Ca 0.54 -0.29 -0.14 0.00 -0.84 0.00 0.00 61.79 61.06 1cry h SER 91 Cb 0.71 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1cry h SER 91 CO -0.33 1.04 -0.65 0.44 -1.14 0.00 0.00 176.83 176.18 1cry h ASP 92 N 0.82 0.00 0.43 3.07 5.19 -1.10 -3.15 116.42 121.68 1cry h ASP 92 Ca 0.13 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1cry h ASP 92 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1cry h ASP 92 CO 0.05 0.65 -0.20 0.25 -3.12 0.00 0.00 179.24 176.86 1cry h LEU 93 N 0.00 -0.48 -5.28 1.55 6.46 -0.08 -2.88 115.31 114.60 1cry h LEU 93 Ca -0.01 -0.03 -0.41 0.00 -0.12 0.00 0.00 57.88 57.31 1cry h LEU 93 Cb 1.39 0.13 0.01 0.00 -0.73 0.00 0.00 40.66 41.46 1cry h LEU 93 CO 0.08 -0.28 2.64 -0.38 -0.62 0.00 0.00 178.44 179.89 1cry n ILE 94 N -5.30 2.74 0.00 4.05 5.41 -0.63 -2.13 119.36 123.50 1cry n ILE 94 Ca -0.11 -1.62 0.00 0.00 1.00 0.00 0.00 62.75 62.02 1cry n ILE 94 Cb 0.26 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.00 1cry n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1cry n ALA 95 N 3.97 0.00 -0.01 -1.39 0.00 -1.17 -4.79 120.51 117.12 1cry n ALA 95 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 1cry n ALA 95 Cb 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 1cry n ALA 95 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1cry h TYR 96 N 0.00 -0.04 0.22 0.00 3.20 -1.21 -3.19 116.97 115.95 1cry h TYR 96 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1cry h TYR 96 Cb 0.00 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1cry h TYR 96 CO 0.00 0.56 -0.11 0.82 -1.64 0.00 0.00 178.16 177.80 1cry h ILE 97 N -0.69 0.82 -0.30 1.81 2.04 -1.73 -2.84 117.51 116.62 1cry h ILE 97 Ca -0.00 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.74 1cry h ILE 97 Cb 0.62 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1cry h ILE 97 CO 0.01 0.05 0.57 0.50 0.00 0.00 0.00 178.15 179.27 1cry h LYS 98 N -0.40 0.00 0.00 2.37 1.63 -1.81 0.87 116.57 119.22 1cry h LYS 98 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1cry h LYS 98 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1cry h LYS 98 CO 0.05 0.00 0.00 0.37 -3.45 0.00 0.00 179.45 176.42 1cry h GLN 99 N 0.00 0.00 0.00 1.90 4.15 -1.48 -3.40 115.11 116.27 1cry h GLN 99 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1cry h GLN 99 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1cry h GLN 99 CO -0.00 0.00 0.00 1.19 -1.93 0.00 0.00 178.83 178.09 1cry n PHE 100 N -2.71 0.00 -1.65 3.99 3.72 0.30 -1.72 117.46 119.39 1cry n PHE 100 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1cry n PHE 100 Cb 0.41 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1cry n PHE 100 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1cry n ASN 101 N -2.23 -8.20 0.00 4.37 4.13 -1.25 -1.79 115.26 110.29 1cry n ASN 101 Ca 0.00 1.27 0.00 0.00 1.68 0.00 0.00 54.58 57.53 1cry n ASN 101 Cb 0.00 -4.92 0.00 0.00 -1.54 0.00 0.00 39.78 33.32 1cry n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1cry n ALA 102 N -1.12 0.00 -1.03 5.41 0.00 -1.26 -1.26 120.51 121.25 1cry n ALA 102 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1cry n ALA 102 Cb 0.06 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.62 1cry n ALA 102 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cry n ASP 103 N 0.00 2.06 -2.12 0.00 5.68 -1.26 -4.54 116.55 116.38 1cry n ASP 103 Ca 0.00 -2.84 -0.00 0.00 -0.50 0.00 0.00 54.79 51.45 1cry n ASP 103 Cb 0.00 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1cry n ASP 103 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cry n GLY 104 N -1.18 -3.55 0.00 6.12 0.00 -0.39 -4.04 105.19 102.15 1cry n GLY 104 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1cry n GLY 104 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cry n SER 105 N 0.35 0.91 -3.86 1.61 2.88 -0.74 -3.96 113.62 110.82 1cry n SER 105 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1cry n SER 105 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1cry n SER 105 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1cry s LYS 106 N 2.79 1.08 0.00 -1.46 0.00 -1.25 -3.78 119.74 117.13 1cry s LYS 106 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 55.97 54.49 1cry s LYS 106 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 37.83 35.29 1cry s LYS 106 CO 0.00 -0.98 0.00 0.36 0.00 0.00 0.00 175.35 174.73