#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2clv s GLN 2 N 0.00 1.26 -0.17 9.51 -0.21 -1.26 -4.92 119.66 123.88 2clv s GLN 2 Ca 0.00 -1.29 -0.05 0.00 0.02 0.00 0.00 55.36 54.03 2clv s GLN 2 Cb 0.00 -1.56 -0.03 0.00 1.00 0.00 0.00 33.01 32.42 2clv s GLN 2 CO 0.00 0.35 0.01 0.15 -2.12 0.00 0.00 175.29 173.68 2clv s LYS 3 N -2.18 3.80 -0.04 2.91 1.02 -0.63 -4.97 119.74 119.65 2clv s LYS 3 Ca 0.11 -0.43 -0.27 0.00 0.02 0.00 0.00 55.97 55.41 2clv s LYS 3 Cb -0.09 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2clv s LYS 3 CO 0.06 0.27 0.85 0.95 -0.92 0.00 0.00 175.35 176.56 2clv s THR 4 N 0.32 4.95 0.32 2.17 -4.23 -1.25 -2.73 115.64 115.18 2clv s THR 4 Ca -0.00 1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 61.98 2clv s THR 4 Cb -0.13 -4.19 -0.12 0.00 1.34 0.00 0.00 72.50 69.40 2clv s THR 4 CO 0.02 0.19 1.52 -0.81 -0.54 0.00 0.00 174.62 175.00 2clv n PRO 5 N 3.94 2.59 -3.71 3.99 -0.04 -1.26 -4.58 135.00 135.93 2clv n PRO 5 Ca 0.03 0.92 -0.36 0.00 -0.04 0.00 0.00 63.50 64.04 2clv n PRO 5 Cb 0.51 -2.66 -0.06 0.00 -0.04 0.00 0.00 33.50 31.26 2clv n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2clv s GLN 6 N -1.04 3.65 -0.03 0.54 -1.52 0.49 -4.94 119.66 116.81 2clv s GLN 6 Ca 0.61 0.07 0.03 0.00 -1.95 0.00 0.00 55.36 54.11 2clv s GLN 6 Cb -0.51 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.13 2clv s GLN 6 CO 0.54 0.70 -0.09 0.42 -0.25 0.00 0.00 175.29 176.60 2clv s ILE 7 N -1.16 0.80 -0.05 1.08 1.01 -1.26 -1.07 121.20 120.55 2clv s ILE 7 Ca 0.23 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2clv s ILE 7 Cb -0.14 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.63 2clv s ILE 7 CO 0.12 0.25 -0.13 -1.10 0.00 0.00 0.00 174.94 174.07 2clv s GLN 8 N 0.18 1.60 -0.15 2.79 -0.21 -0.69 -5.00 119.66 118.17 2clv s GLN 8 Ca -0.03 -0.44 -0.00 0.00 0.02 0.00 0.00 55.36 54.90 2clv s GLN 8 Cb -0.08 -1.36 -0.01 0.00 1.00 0.00 0.00 33.01 32.56 2clv s GLN 8 CO 0.00 0.10 -0.13 0.08 -2.12 0.00 0.00 175.29 173.22 2clv s VAL 9 N 0.42 2.93 -0.06 1.09 1.01 -1.26 -0.85 120.40 123.68 2clv s VAL 9 Ca -0.10 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 2clv s VAL 9 Cb -0.13 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.11 2clv s VAL 9 CO 0.03 0.51 0.90 -0.72 0.00 0.00 0.00 175.10 175.81 2clv s TYR 10 N 0.66 -0.40 0.27 5.22 -0.85 -0.70 -4.52 117.35 117.04 2clv s TYR 10 Ca -0.07 0.49 -0.12 0.00 -0.52 0.00 0.00 57.07 56.85 2clv s TYR 10 Cb -0.15 0.49 -0.08 0.00 0.38 0.00 0.00 41.96 42.60 2clv s TYR 10 CO 0.02 -0.48 0.63 -1.54 -1.52 0.00 0.00 175.55 172.66 2clv s SER 11 N -1.81 6.69 0.17 -0.18 1.04 -1.26 0.32 113.70 118.67 2clv s SER 11 Ca 0.00 1.08 -0.12 0.00 0.48 0.00 0.00 55.95 57.40 2clv s SER 11 Cb -0.01 -2.29 0.07 0.00 0.10 0.00 0.00 66.02 63.89 2clv s SER 11 CO -0.03 -0.13 1.70 -0.09 0.98 0.00 0.00 173.24 175.67 2clv h ARG 12 N 2.41 0.90 -6.51 4.02 2.43 -1.33 -3.44 114.38 112.85 2clv h ARG 12 Ca -0.47 -0.19 -0.64 0.00 -0.81 0.00 0.00 59.98 57.87 2clv h ARG 12 Cb 1.17 -0.13 -0.16 0.00 -0.42 0.00 0.00 29.97 30.43 2clv h ARG 12 CO 0.67 0.80 -0.77 -1.01 -1.51 0.00 0.00 179.97 178.16 2clv s HIS 13 N -5.43 2.47 0.11 2.20 3.76 -1.26 -5.05 115.29 112.10 2clv s HIS 13 Ca -0.13 -0.29 -0.35 0.00 -0.15 0.00 0.00 55.06 54.14 2clv s HIS 13 Cb 0.13 -1.21 -0.17 0.00 1.11 0.00 0.00 32.58 32.44 2clv s HIS 13 CO 0.80 0.51 1.24 -2.30 -0.85 0.00 0.00 174.74 174.14 2clv n PRO 14 N 0.12 1.04 -2.79 8.40 -0.02 -1.26 -4.88 135.00 135.60 2clv n PRO 14 Ca -0.11 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 2clv n PRO 14 Cb 0.56 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 2clv n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2clv s PRO 15 N 0.10 4.70 -0.08 0.52 0.04 -1.26 -5.04 135.00 133.98 2clv s PRO 15 Ca 0.81 1.39 0.02 0.00 0.04 0.00 0.00 61.00 63.25 2clv s PRO 15 Cb -0.94 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 30.27 2clv s PRO 15 CO 0.50 0.32 -0.13 -1.21 0.04 0.00 0.00 177.00 176.52 2clv s GLU 16 N -0.36 1.84 0.25 4.56 2.02 -1.26 -5.11 118.70 120.64 2clv s GLU 16 Ca 0.44 -0.44 -0.31 0.00 0.02 0.00 0.00 54.97 54.68 2clv s GLU 16 Cb -0.24 -1.58 -0.13 0.00 0.10 0.00 0.00 34.13 32.28 2clv s GLU 16 CO 0.29 -0.04 1.35 0.09 0.02 0.00 0.00 175.26 176.97 2clv n ASN 17 N 4.07 2.57 0.00 -0.19 3.02 -1.26 -1.75 115.26 121.73 2clv n ASN 17 Ca -0.20 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 2clv n ASN 17 Cb 0.51 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 2clv n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2clv n GLY 18 N 1.88 2.12 3.46 7.41 0.00 -0.31 -5.00 105.19 114.75 2clv n GLY 18 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2clv n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2clv s LYS 19 N -0.36 3.66 0.43 1.61 1.02 -0.71 -4.96 119.74 120.42 2clv s LYS 19 Ca 0.00 -0.49 -0.24 0.00 0.02 0.00 0.00 55.97 55.26 2clv s LYS 19 Cb 0.00 -3.15 -0.10 0.00 -0.52 0.00 0.00 37.83 34.06 2clv s LYS 19 CO 0.00 -0.01 0.97 -2.30 -0.92 0.00 0.00 175.35 173.09 2clv n PRO 20 N 4.34 1.26 -2.92 -1.68 -0.02 -1.26 -4.27 135.00 130.44 2clv n PRO 20 Ca -0.17 0.45 -0.07 0.00 -2.02 0.00 0.00 63.50 61.70 2clv n PRO 20 Cb 0.52 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 2clv n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2clv n ASN 21 N 0.52 -1.46 -4.10 2.55 2.85 0.17 -4.98 115.26 110.80 2clv n ASN 21 Ca 0.10 -2.11 -0.26 0.00 -0.11 0.00 0.00 54.58 52.20 2clv n ASN 21 Cb 0.39 2.46 -0.16 0.00 1.24 0.00 0.00 39.78 43.71 2clv n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2clv s ILE 22 N -2.44 1.38 -0.20 -1.44 -1.09 -1.26 -1.89 121.20 114.26 2clv s ILE 22 Ca 0.12 -0.66 -0.09 0.00 -2.23 0.00 0.00 60.65 57.80 2clv s ILE 22 Cb -0.03 -1.21 -0.04 0.00 -1.58 0.00 0.00 42.46 39.60 2clv s ILE 22 CO 0.09 0.40 0.10 -0.22 -1.23 0.00 0.00 174.94 174.09 2clv s LEU 23 N 0.31 3.98 -0.02 2.97 2.96 0.19 -0.77 118.68 128.30 2clv s LEU 23 Ca -0.10 0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2clv s LEU 23 Cb -0.14 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2clv s LEU 23 CO 0.04 0.14 0.05 0.20 -1.32 0.00 0.00 176.35 175.46 2clv s ASN 24 N 0.58 5.50 -0.28 3.68 0.01 0.15 -1.34 114.94 123.24 2clv s ASN 24 Ca 0.06 0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.33 2clv s ASN 24 Cb -0.12 -1.55 0.08 0.00 0.41 0.00 0.00 41.25 40.07 2clv s ASN 24 CO 0.01 0.29 0.02 0.00 -1.51 0.00 0.00 177.10 175.91 2clv s TYR 26 N 1.35 3.22 -0.16 0.00 5.04 -0.03 -0.96 117.35 125.80 2clv s TYR 26 Ca 0.03 0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.85 2clv s TYR 26 Cb -0.18 -2.61 0.01 0.00 0.35 0.00 0.00 41.96 39.52 2clv s TYR 26 CO -0.12 -0.32 -0.18 0.08 -1.34 0.00 0.00 175.55 173.66 2clv s VAL 27 N 2.03 2.35 0.28 3.14 1.01 -0.32 -1.71 120.40 127.18 2clv s VAL 27 Ca 0.13 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2clv s VAL 27 Cb -0.16 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2clv s VAL 27 CO 0.11 0.53 0.11 0.42 0.00 0.00 0.00 175.10 176.27 2clv s THR 28 N 0.98 0.56 -1.14 3.92 -4.23 -0.23 -1.13 115.64 114.37 2clv s THR 28 Ca -0.03 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 2clv s THR 28 Cb -0.15 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2clv s THR 28 CO -0.04 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.27 2clv n GLN 29 N -0.53 -2.40 -4.44 3.99 1.13 -0.94 -0.38 117.38 113.81 2clv n GLN 29 Ca -0.00 0.66 -0.30 0.00 -1.94 0.00 0.00 57.00 55.41 2clv n GLN 29 Cb 0.66 -4.94 -0.12 0.00 0.11 0.00 0.00 30.24 25.96 2clv n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2clv s PHE 30 N -2.86 2.58 -0.28 1.08 -0.71 -1.21 -3.86 117.98 112.71 2clv s PHE 30 Ca 0.12 -0.24 -0.16 0.00 -1.04 0.00 0.00 56.93 55.61 2clv s PHE 30 Cb -0.05 -1.41 0.09 0.00 -1.21 0.00 0.00 43.02 40.44 2clv s PHE 30 CO 0.14 0.34 0.72 -1.58 -1.34 0.00 0.00 175.22 173.50 2clv s HIS 31 N -1.06 -1.02 0.96 3.49 2.46 -1.10 -0.43 115.29 118.58 2clv s HIS 31 Ca 0.17 2.04 -0.12 0.00 0.47 0.00 0.00 55.06 57.62 2clv s HIS 31 Cb -0.11 0.61 0.17 0.00 -0.13 0.00 0.00 32.58 33.12 2clv s HIS 31 CO 0.08 -0.51 1.10 -1.25 -2.47 0.00 0.00 174.74 171.69 2clv s PRO 32 N 1.64 0.73 0.39 2.88 0.04 -1.26 -1.60 135.00 137.82 2clv s PRO 32 Ca -0.10 0.58 0.28 0.00 0.04 0.00 0.00 61.00 61.80 2clv s PRO 32 Cb -0.05 -1.77 1.02 0.00 0.04 0.00 0.00 34.50 33.74 2clv s PRO 32 CO -0.19 -2.54 1.81 -1.00 0.04 0.00 0.00 177.00 175.12 2clv h PRO 33 N -1.76 0.00 -6.50 0.56 0.13 -1.98 -3.44 132.00 119.01 2clv h PRO 33 Ca -0.53 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.07 2clv h PRO 33 Cb 1.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 2clv h PRO 33 CO 0.57 0.00 0.84 -1.58 -0.23 0.00 0.00 178.00 177.60 2clv s HIS 34 N -3.41 2.94 -0.01 1.56 2.46 -1.26 -4.99 115.29 112.59 2clv s HIS 34 Ca 0.04 0.72 -0.20 0.00 0.47 0.00 0.00 55.06 56.10 2clv s HIS 34 Cb 0.09 -3.79 0.04 0.00 -0.13 0.00 0.00 32.58 28.79 2clv s HIS 34 CO 0.51 -2.94 0.42 -1.50 -2.47 0.00 0.00 174.74 168.77 2clv s ILE 35 N 1.72 0.04 -0.14 0.89 2.07 -1.26 -4.72 121.20 119.80 2clv s ILE 35 Ca 0.68 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.57 2clv s ILE 35 Cb -0.38 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.45 2clv s ILE 35 CO 0.30 -0.20 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.36 2clv s GLU 36 N -1.55 2.47 -0.09 3.50 2.02 -0.87 -5.01 118.70 119.17 2clv s GLU 36 Ca -0.11 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.26 2clv s GLU 36 Cb -0.03 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 32.06 2clv s GLU 36 CO 0.04 -0.16 -0.14 0.42 0.02 0.00 0.00 175.26 175.45 2clv s ILE 37 N 1.23 1.33 0.08 -1.63 1.01 -1.26 -0.66 121.20 121.31 2clv s ILE 37 Ca 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.17 2clv s ILE 37 Cb -0.14 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 2clv s ILE 37 CO -0.07 0.41 -0.22 -1.10 0.00 0.00 0.00 174.94 173.95 2clv s GLN 38 N 0.89 1.35 -0.03 2.79 -0.21 -0.34 -5.00 119.66 119.11 2clv s GLN 38 Ca -0.10 -1.09 0.02 0.00 0.02 0.00 0.00 55.36 54.21 2clv s GLN 38 Cb -0.15 -1.58 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 2clv s GLN 38 CO 0.01 0.39 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.86 2clv s MET 39 N -1.55 2.63 -0.02 2.91 -1.94 -1.26 -0.61 119.30 119.46 2clv s MET 39 Ca 0.09 -0.65 0.04 0.00 -1.71 0.00 0.00 55.69 53.45 2clv s MET 39 Cb -0.10 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.20 2clv s MET 39 CO 0.03 0.63 -0.14 -0.51 -0.01 0.00 0.00 175.02 175.02 2clv s LEU 40 N -1.17 1.95 -0.18 -0.03 1.43 0.35 -0.21 118.68 120.82 2clv s LEU 40 Ca 0.15 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2clv s LEU 40 Cb -0.11 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.34 2clv s LEU 40 CO 0.05 0.15 -0.16 -0.75 0.23 0.00 0.00 176.35 175.87 2clv s LYS 41 N -0.14 3.12 -1.47 1.70 2.20 0.17 -1.38 119.74 123.94 2clv s LYS 41 Ca 0.01 -0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 54.71 2clv s LYS 41 Cb -0.08 -2.65 0.11 0.00 -1.51 0.00 0.00 37.83 33.71 2clv s LYS 41 CO 0.00 -0.12 0.66 0.09 -0.36 0.00 0.00 175.35 175.62 2clv n ASN 42 N 4.44 -3.61 0.00 1.43 3.02 0.91 -1.12 115.26 120.32 2clv n ASN 42 Ca -0.20 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 2clv n ASN 42 Cb 0.51 -2.96 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 2clv n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2clv n GLY 43 N -1.30 1.23 3.68 7.41 0.00 -1.26 -5.05 105.19 109.91 2clv n GLY 43 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2clv n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2clv s LYS 44 N -0.59 2.96 0.19 1.61 1.02 -0.28 -5.02 119.74 119.63 2clv s LYS 44 Ca 0.00 -0.42 -0.33 0.00 0.02 0.00 0.00 55.97 55.24 2clv s LYS 44 Cb 0.00 -2.78 -0.14 0.00 -0.52 0.00 0.00 37.83 34.39 2clv s LYS 44 CO 0.00 0.70 1.50 1.17 -0.92 0.00 0.00 175.35 177.80 2clv n LYS 45 N 2.08 2.05 -2.92 1.68 4.81 -1.26 -0.66 118.16 123.95 2clv n LYS 45 Ca -0.18 0.74 -0.41 0.00 -0.87 0.00 0.00 58.31 57.59 2clv n LYS 45 Cb 0.54 -2.46 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 2clv n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2clv s ILE 46 N 0.51 4.96 -0.02 3.15 1.01 0.70 -4.82 121.20 126.69 2clv s ILE 46 Ca 0.75 1.65 -0.25 0.00 0.00 0.00 0.00 60.65 62.80 2clv s ILE 46 Cb -0.68 -4.14 -0.19 0.00 0.01 0.00 0.00 42.46 37.46 2clv s ILE 46 CO 0.43 0.17 1.24 1.55 0.00 0.00 0.00 174.94 178.32 2clv h PRO 47 N 6.93 0.11 -3.89 2.79 0.13 -1.93 -3.40 132.00 132.73 2clv h PRO 47 Ca -0.38 -0.06 -0.77 0.00 -0.87 0.00 0.00 66.00 63.92 2clv h PRO 47 Cb 1.18 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 2clv h PRO 47 CO 0.78 0.62 -0.05 0.15 -0.23 0.00 0.00 178.00 179.26 2clv s LYS 48 N -4.05 3.28 -0.17 0.86 -0.14 -1.26 -4.99 119.74 113.27 2clv s LYS 48 Ca -0.16 -2.26 0.00 0.00 -1.36 0.00 0.00 55.97 52.19 2clv s LYS 48 Cb 0.02 -4.29 0.00 0.00 -1.68 0.00 0.00 37.83 31.89 2clv s LYS 48 CO 0.70 -1.28 -0.16 0.08 -0.76 0.00 0.00 175.35 173.94 2clv s VAL 49 N 0.53 2.54 0.25 3.17 1.01 -1.26 -4.61 120.40 122.03 2clv s VAL 49 Ca 0.14 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2clv s VAL 49 Cb -0.17 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 2clv s VAL 49 CO -0.05 0.51 0.59 -1.61 0.00 0.00 0.00 175.10 174.54 2clv s GLU 50 N 1.05 3.84 -0.08 2.72 2.02 0.73 -4.91 118.70 124.07 2clv s GLU 50 Ca -0.01 0.36 0.03 0.00 0.02 0.00 0.00 54.97 55.37 2clv s GLU 50 Cb -0.15 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.49 2clv s GLU 50 CO -0.04 0.28 -0.16 -1.64 0.02 0.00 0.00 175.26 173.72 2clv s MET 51 N -2.86 2.12 0.90 1.61 -1.94 -1.26 -0.66 119.30 117.21 2clv s MET 51 Ca 0.49 -0.56 -0.11 0.00 -1.71 0.00 0.00 55.69 53.80 2clv s MET 51 Cb -0.11 -1.69 0.14 0.00 2.01 0.00 0.00 34.83 35.18 2clv s MET 51 CO 0.20 0.08 1.10 -1.54 -0.01 0.00 0.00 175.02 174.85 2clv s SER 52 N 0.55 3.24 0.63 3.03 1.04 0.59 -5.00 113.70 117.79 2clv s SER 52 Ca -0.16 1.79 -0.17 0.00 0.48 0.00 0.00 55.95 57.89 2clv s SER 52 Cb -0.16 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 2clv s SER 52 CO 0.05 -2.83 1.15 -1.81 0.98 0.00 0.00 173.24 170.78 2clv s ASP 53 N -3.07 5.10 0.23 7.02 -0.00 -1.26 -4.73 116.67 119.96 2clv s ASP 53 Ca 0.64 2.17 -0.23 0.00 -0.00 0.00 0.00 52.55 55.14 2clv s ASP 53 Cb -0.20 -2.57 -0.09 0.00 -0.00 0.00 0.00 42.92 40.06 2clv s ASP 53 CO 0.58 -1.64 0.79 -0.32 -0.00 0.00 0.00 175.17 174.58 2clv s MET 54 N -3.74 4.42 0.32 8.23 1.75 -1.26 -4.77 119.30 124.24 2clv s MET 54 Ca 0.71 1.06 0.03 0.00 -1.25 0.00 0.00 55.69 56.24 2clv s MET 54 Cb -0.24 -2.96 -0.06 0.00 2.84 0.00 0.00 34.83 34.41 2clv s MET 54 CO 0.37 0.41 0.08 -1.12 -0.65 0.00 0.00 175.02 174.11 2clv s SER 55 N -1.51 2.10 0.12 1.11 0.01 -0.93 -5.00 113.70 109.59 2clv s SER 55 Ca 0.43 -1.41 0.03 0.00 1.31 0.00 0.00 55.95 56.31 2clv s SER 55 Cb -0.19 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 2clv s SER 55 CO 0.23 -0.67 -0.09 0.72 0.41 0.00 0.00 173.24 173.84 2clv s PHE 56 N -3.41 1.09 0.51 2.43 -0.12 -1.26 -0.79 117.98 116.43 2clv s PHE 56 Ca 0.36 -0.81 0.08 0.00 -0.05 0.00 0.00 56.93 56.51 2clv s PHE 56 Cb 0.08 -0.58 0.04 0.00 -0.63 0.00 0.00 43.02 41.92 2clv s PHE 56 CO 0.15 -0.02 0.55 -1.12 -0.05 0.00 0.00 175.22 174.73 2clv s SER 57 N -3.02 5.00 0.61 1.98 0.01 -0.35 -4.98 113.70 112.95 2clv s SER 57 Ca 0.13 -0.91 0.40 0.00 1.31 0.00 0.00 55.95 56.88 2clv s SER 57 Cb 0.03 0.03 1.94 0.00 0.21 0.00 0.00 66.02 68.23 2clv s SER 57 CO -0.02 -1.04 2.19 0.07 0.41 0.00 0.00 173.24 174.85 2clv h LYS 58 N 0.61 0.00 -0.05 12.44 2.10 -2.02 0.54 116.57 130.19 2clv h LYS 58 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2clv h LYS 58 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2clv h LYS 58 CO 0.50 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.56 2clv n ASP 59 N -3.09 0.47 0.00 7.07 5.75 -1.26 -4.90 116.55 120.58 2clv n ASP 59 Ca -0.01 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 2clv n ASP 59 Cb 0.18 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2clv n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2clv n TRP 60 N -0.47 0.00 -2.42 2.11 7.02 0.18 -5.04 117.44 118.82 2clv n TRP 60 Ca 0.14 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.27 2clv n TRP 60 Cb 0.14 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.01 2clv n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2clv s SER 61 N -2.72 6.19 0.39 -0.99 1.04 -1.26 -4.66 113.70 111.70 2clv s SER 61 Ca 0.00 2.07 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 2clv s SER 61 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2clv s SER 61 CO 0.00 -0.89 0.64 -0.36 0.98 0.00 0.00 173.24 173.61 2clv s PHE 62 N -1.82 3.52 0.01 5.02 0.40 0.43 -1.21 117.98 124.33 2clv s PHE 62 Ca 0.67 0.54 -0.12 0.00 -0.60 0.00 0.00 56.93 57.43 2clv s PHE 62 Cb -0.21 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.28 2clv s PHE 62 CO 0.25 -0.02 0.24 1.52 0.70 0.00 0.00 175.22 177.91 2clv s TYR 63 N -2.46 -0.07 -0.03 0.36 -0.85 0.03 -2.21 117.35 112.12 2clv s TYR 63 Ca 0.43 0.02 -0.24 0.00 -0.52 0.00 0.00 57.07 56.76 2clv s TYR 63 Cb -0.10 0.04 0.05 0.00 0.38 0.00 0.00 41.96 42.33 2clv s TYR 63 CO 0.39 -0.39 0.52 -1.50 -1.52 0.00 0.00 175.55 173.04 2clv s ILE 64 N -1.76 0.03 -0.22 -3.49 2.07 -0.29 -2.20 121.20 115.34 2clv s ILE 64 Ca -0.11 -0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 58.91 2clv s ILE 64 Cb -0.04 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.73 2clv s ILE 64 CO 0.01 -0.12 -0.12 -0.22 -1.91 0.00 0.00 174.94 172.58 2clv s LEU 65 N -1.27 2.71 -0.03 8.50 2.96 -1.26 -1.17 118.68 129.12 2clv s LEU 65 Ca -0.12 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 52.96 2clv s LEU 65 Cb -0.02 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 2clv s LEU 65 CO 0.07 -0.06 0.29 0.00 -1.32 0.00 0.00 176.35 175.33 2clv s ALA 66 N 1.32 3.79 0.10 5.97 0.00 -0.14 -0.30 121.76 132.51 2clv s ALA 66 Ca 0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 2clv s ALA 66 Cb -0.15 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2clv s ALA 66 CO -0.08 0.57 0.27 -3.38 0.00 0.00 0.00 175.76 173.15 2clv s HIS 67 N -1.15 0.01 -0.01 0.00 -3.43 0.16 0.25 115.29 111.11 2clv s HIS 67 Ca 0.23 -0.37 -0.20 0.00 -0.80 0.00 0.00 55.06 53.93 2clv s HIS 67 Cb -0.14 0.06 0.04 0.00 -1.43 0.00 0.00 32.58 31.11 2clv s HIS 67 CO 0.12 -0.59 0.43 -0.08 -2.00 0.00 0.00 174.74 172.61 2clv s THR 68 N -3.69 0.04 0.21 -5.38 -1.32 -0.45 -0.20 115.64 104.86 2clv s THR 68 Ca 0.03 -0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 59.87 2clv s THR 68 Cb 0.03 -0.77 -0.08 0.00 -1.51 0.00 0.00 72.50 70.17 2clv s THR 68 CO -0.10 -0.19 0.98 -1.61 -2.21 0.00 0.00 174.62 171.49 2clv s GLU 69 N -1.47 4.77 0.06 7.08 2.02 -1.26 -0.64 118.70 129.26 2clv s GLU 69 Ca -0.12 1.54 -0.21 0.00 0.02 0.00 0.00 54.97 56.21 2clv s GLU 69 Cb -0.03 -3.29 0.05 0.00 0.10 0.00 0.00 34.13 30.96 2clv s GLU 69 CO 0.05 0.37 0.49 -0.59 0.02 0.00 0.00 175.26 175.59 2clv s PHE 70 N -0.81 -0.37 -0.31 1.61 -0.71 -0.79 -4.88 117.98 111.72 2clv s PHE 70 Ca 0.44 0.35 0.03 0.00 -1.04 0.00 0.00 56.93 56.71 2clv s PHE 70 Cb -0.26 0.32 0.08 0.00 -1.21 0.00 0.00 43.02 41.94 2clv s PHE 70 CO 0.33 -0.64 -0.01 0.99 -1.34 0.00 0.00 175.22 174.54 2clv s THR 71 N -2.64 2.32 0.68 -4.49 2.01 -1.26 -0.66 115.64 111.59 2clv s THR 71 Ca -0.04 -1.98 -0.16 0.00 0.31 0.00 0.00 61.69 59.82 2clv s THR 71 Cb -0.00 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.97 2clv s THR 71 CO -0.03 -0.33 1.15 -2.16 -0.69 0.00 0.00 174.62 172.56 2clv s PRO 72 N 1.02 2.59 0.29 4.92 0.04 -1.26 -4.77 135.00 137.83 2clv s PRO 72 Ca 0.01 1.57 0.03 0.00 0.04 0.00 0.00 61.00 62.65 2clv s PRO 72 Cb -0.20 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2clv s PRO 72 CO -0.06 -1.45 0.08 0.95 0.04 0.00 0.00 177.00 176.56 2clv s THR 73 N -2.12 0.85 0.32 1.26 -4.23 -1.26 -1.17 115.64 109.29 2clv s THR 73 Ca 0.71 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.25 2clv s THR 73 Cb -0.25 -2.70 0.29 0.00 1.34 0.00 0.00 72.50 71.18 2clv s THR 73 CO 0.41 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 176.32 2clv h GLU 74 N 2.24 0.88 0.00 3.99 4.81 -1.97 -3.32 114.58 121.20 2clv h GLU 74 Ca -0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2clv h GLU 74 Cb 1.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2clv h GLU 74 CO 0.65 0.58 -1.24 0.25 -0.73 0.00 0.00 179.01 178.52 2clv n THR 75 N -4.51 0.00 -1.85 0.32 -2.24 -1.26 -5.01 114.28 99.72 2clv n THR 75 Ca 0.14 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 2clv n THR 75 Cb 0.27 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 2clv n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2clv s ASP 76 N -2.82 6.45 -0.14 3.42 1.01 -1.25 -5.00 116.67 118.34 2clv s ASP 76 Ca -0.02 2.87 -0.05 0.00 0.71 0.00 0.00 52.55 56.06 2clv s ASP 76 Cb 0.06 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2clv s ASP 76 CO 0.37 -0.85 0.04 -0.89 0.21 0.00 0.00 175.17 174.05 2clv s THR 77 N -0.09 4.61 0.04 -1.27 2.01 -1.26 -4.81 115.64 114.87 2clv s THR 77 Ca 0.61 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.58 2clv s THR 77 Cb -0.46 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2clv s THR 77 CO 0.48 0.53 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.41 2clv s TYR 78 N -0.20 1.93 0.17 4.92 1.51 -1.26 -0.07 117.35 124.36 2clv s TYR 78 Ca 0.07 -0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 55.67 2clv s TYR 78 Cb -0.12 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 2clv s TYR 78 CO 0.02 0.09 0.26 0.00 -1.11 0.00 0.00 175.55 174.81 2clv s ALA 79 N -0.78 0.19 -0.09 3.71 0.00 -0.48 -0.53 121.76 123.79 2clv s ALA 79 Ca 0.08 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2clv s ALA 79 Cb -0.09 0.93 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2clv s ALA 79 CO 0.02 -0.64 -0.16 0.00 0.00 0.00 0.00 175.76 174.97 2clv s ARG 81 N 0.69 3.23 -0.10 0.00 3.52 0.22 -0.45 118.95 126.06 2clv s ARG 81 Ca -0.13 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 2clv s ARG 81 Cb -0.16 -2.55 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 2clv s ARG 81 CO 0.03 0.26 -0.14 0.08 -0.81 0.00 0.00 175.30 174.72 2clv s VAL 82 N 0.22 1.39 -0.25 7.11 1.01 0.72 -1.20 120.40 129.40 2clv s VAL 82 Ca -0.09 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2clv s VAL 82 Cb -0.16 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2clv s VAL 82 CO 0.05 0.42 0.03 -0.75 0.00 0.00 0.00 175.10 174.85 2clv s LYS 83 N 0.99 3.34 -0.00 2.72 2.20 0.17 -0.52 119.74 128.64 2clv s LYS 83 Ca -0.07 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 2clv s LYS 83 Cb -0.15 -3.21 -0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2clv s LYS 83 CO -0.01 -0.28 0.05 -1.58 -0.36 0.00 0.00 175.35 173.17 2clv s HIS 84 N 1.52 0.06 0.65 4.03 2.46 -1.26 -2.05 115.29 120.69 2clv s HIS 84 Ca 0.05 -0.11 0.39 0.00 0.47 0.00 0.00 55.06 55.85 2clv s HIS 84 Cb -0.16 -0.06 2.16 0.00 -0.13 0.00 0.00 32.58 34.39 2clv s HIS 84 CO 0.00 -0.13 2.26 -0.44 -2.47 0.00 0.00 174.74 173.96 2clv h ASP 85 N 5.25 0.00 0.82 9.88 3.32 -1.95 -0.67 116.42 133.07 2clv h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2clv h ASP 85 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2clv h ASP 85 CO 0.44 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.42 2clv n SER 86 N -3.22 0.68 -4.30 6.45 3.41 -1.26 -4.73 113.62 110.65 2clv n SER 86 Ca -0.02 0.65 -0.31 0.00 -0.26 0.00 0.00 58.87 58.93 2clv n SER 86 Cb 0.15 -0.80 -0.16 0.00 -0.26 0.00 0.00 64.21 63.14 2clv n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2clv s MET 87 N -3.29 2.31 0.41 4.33 -1.94 -0.26 -4.86 119.30 116.00 2clv s MET 87 Ca 0.05 -0.91 0.19 0.00 -1.71 0.00 0.00 55.69 53.31 2clv s MET 87 Cb 0.10 -2.11 0.90 0.00 2.01 0.00 0.00 34.83 35.73 2clv s MET 87 CO 0.42 0.49 1.86 0.00 -0.01 0.00 0.00 175.02 177.78 2clv h ALA 88 N 5.72 1.23 -2.67 3.03 0.00 -1.85 -3.43 119.26 121.29 2clv h ALA 88 Ca -0.39 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 2clv h ALA 88 Cb 1.14 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.70 2clv h ALA 88 CO 0.47 0.38 -0.69 -1.21 0.00 0.00 0.00 179.25 178.20 2clv s GLU 89 N -4.00 0.46 0.43 0.00 2.02 -1.26 -5.13 118.70 111.21 2clv s GLU 89 Ca -0.02 -0.89 -0.26 0.00 0.02 0.00 0.00 54.97 53.82 2clv s GLU 89 Cb 0.13 0.12 -0.09 0.00 0.10 0.00 0.00 34.13 34.38 2clv s GLU 89 CO 0.67 -0.07 1.44 -2.30 0.02 0.00 0.00 175.26 175.03 2clv n PRO 90 N 0.94 2.37 -3.66 0.39 -0.02 -1.26 -4.86 135.00 128.91 2clv n PRO 90 Ca -0.20 0.84 -0.36 0.00 -2.02 0.00 0.00 63.50 61.76 2clv n PRO 90 Cb 0.58 -2.63 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 2clv n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2clv s LYS 91 N -2.32 4.08 -0.25 -0.52 2.47 0.32 -4.88 119.74 118.64 2clv s LYS 91 Ca 0.59 -0.26 -0.06 0.00 -1.56 0.00 0.00 55.97 54.67 2clv s LYS 91 Cb -0.46 -3.54 -0.01 0.00 -1.46 0.00 0.00 37.83 32.36 2clv s LYS 91 CO 0.60 0.06 0.05 0.99 0.16 0.00 0.00 175.35 177.21 2clv s THR 92 N 1.05 4.01 -0.16 3.43 2.01 -1.26 -0.20 115.64 124.52 2clv s THR 92 Ca 0.08 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 2clv s THR 92 Cb -0.13 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 2clv s THR 92 CO 0.04 0.30 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.50 2clv s VAL 93 N 1.56 3.43 0.07 3.82 1.01 0.40 -4.95 120.40 125.75 2clv s VAL 93 Ca 0.05 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2clv s VAL 93 Cb -0.15 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2clv s VAL 93 CO 0.02 0.49 0.51 -0.31 0.00 0.00 0.00 175.10 175.81 2clv s TYR 94 N 0.55 3.71 0.04 5.22 2.02 -1.26 -0.67 117.35 126.97 2clv s TYR 94 Ca -0.05 1.10 -0.31 0.00 -0.37 0.00 0.00 57.07 57.44 2clv s TYR 94 Cb -0.15 -2.38 -0.07 0.00 -0.40 0.00 0.00 41.96 38.96 2clv s TYR 94 CO 0.03 0.55 1.46 -0.46 -1.57 0.00 0.00 175.55 175.57 2clv s TRP 95 N -1.22 2.83 -0.29 2.71 -0.00 0.31 -4.84 118.94 118.43 2clv s TRP 95 Ca 0.30 0.72 -0.05 0.00 -0.00 0.00 0.00 56.10 57.08 2clv s TRP 95 Cb -0.17 -3.75 0.03 0.00 -0.00 0.00 0.00 33.47 29.58 2clv s TRP 95 CO 0.17 -2.80 0.04 0.34 -0.00 0.00 0.00 176.95 174.70 2clv s ASP 96 N 1.84 4.93 0.59 5.86 -1.08 -1.26 -4.76 116.67 122.78 2clv s ASP 96 Ca 0.67 -0.94 0.30 0.00 -0.52 0.00 0.00 52.55 52.06 2clv s ASP 96 Cb -0.35 -1.80 1.30 0.00 -1.46 0.00 0.00 42.92 40.62 2clv s ASP 96 CO 0.29 -0.22 1.65 -0.09 0.52 0.00 0.00 175.17 177.32 2clv h ARG 97 N 8.14 0.00 -0.28 4.34 2.43 -1.94 -0.89 114.38 126.17 2clv h ARG 97 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2clv h ARG 97 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2clv h ARG 97 CO 0.58 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.79 2clv n ASP 98 N -3.59 2.74 0.00 -3.80 8.00 -1.26 -4.86 116.55 113.77 2clv n ASP 98 Ca 0.17 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.79 2clv n ASP 98 Cb 1.12 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 2clv n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04