#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1reg s ILE 2 N 0.00 2.55 0.12 2.02 1.01 -0.44 -4.93 121.20 121.54 1reg s ILE 2 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 1reg s ILE 2 Cb 0.00 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.39 1reg s ILE 2 CO 0.00 0.55 0.73 -0.70 0.00 0.00 0.00 174.94 175.52 1reg s GLU 3 N 0.11 4.48 -0.00 2.79 2.12 -1.26 -1.13 118.70 125.80 1reg s GLU 3 Ca -0.09 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.29 1reg s GLU 3 Cb -0.15 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1reg s GLU 3 CO 0.06 0.53 -0.01 -1.50 -0.54 0.00 0.00 175.26 173.80 1reg s ILE 4 N -0.92 0.07 -0.11 -3.70 1.10 -0.52 -1.72 121.20 115.40 1reg s ILE 4 Ca 0.35 -0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.47 1reg s ILE 4 Cb -0.22 -0.07 -0.02 0.00 0.15 0.00 0.00 42.46 42.30 1reg s ILE 4 CO 0.24 0.03 -0.11 0.42 -2.11 0.00 0.00 174.94 173.41 1reg s THR 5 N 0.07 3.26 0.19 4.00 -4.23 -0.65 -3.69 115.64 114.60 1reg s THR 5 Ca -0.00 -0.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1reg s THR 5 Cb -0.01 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1reg s THR 5 CO -0.00 0.54 0.33 -0.76 -0.54 0.00 0.00 174.62 174.19 1reg s LEU 6 N -0.02 4.31 0.09 4.79 2.01 -1.26 -0.73 118.68 127.87 1reg s LEU 6 Ca -0.02 0.17 -0.16 0.00 0.01 0.00 0.00 54.13 54.13 1reg s LEU 6 Cb -0.14 -2.94 -0.08 0.00 0.01 0.00 0.00 46.19 43.05 1reg s LEU 6 CO 0.04 -0.01 1.46 0.11 1.01 0.00 0.00 176.35 178.96 1reg h LYS 7 N 1.76 0.60 -3.76 1.70 1.79 -1.96 -3.46 116.57 113.24 1reg h LYS 7 Ca -0.50 -0.26 -0.16 0.00 -2.18 0.00 0.00 60.65 57.56 1reg h LYS 7 Cb 1.21 -0.02 -0.21 0.00 -1.58 0.00 0.00 32.23 31.62 1reg h LYS 7 CO 0.66 0.83 -0.61 0.15 -1.08 0.00 0.00 179.45 179.39 1reg s LYS 8 N -4.63 0.36 0.16 3.15 1.02 -1.26 -5.06 119.74 113.48 1reg s LYS 8 Ca -0.13 -0.46 0.26 0.00 0.02 0.00 0.00 55.97 55.65 1reg s LYS 8 Cb 0.08 0.14 0.92 0.00 -0.52 0.00 0.00 37.83 38.45 1reg s LYS 8 CO 0.79 -0.07 1.78 -0.35 -0.92 0.00 0.00 175.35 176.58 1reg n PRO 9 N 1.67 0.18 -0.08 -1.68 -0.04 -1.26 -1.57 135.00 132.21 1reg n PRO 9 Ca -0.22 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1reg n PRO 9 Cb 0.56 -1.73 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 1reg n PRO 9 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1reg h GLU 10 N 0.00 0.35 -1.56 0.54 3.07 -2.00 -3.24 114.58 111.74 1reg h GLU 10 Ca 0.00 -0.02 0.48 0.00 -0.50 0.00 0.00 59.36 59.31 1reg h GLU 10 Cb 0.60 -0.08 -0.10 0.00 -0.84 0.00 0.00 28.75 28.34 1reg h GLU 10 CO 0.00 0.23 1.08 -0.44 -1.40 0.00 0.00 179.01 178.48 1reg h ASP 11 N 0.36 0.12 -0.93 1.42 5.19 -1.72 -0.18 116.42 120.69 1reg h ASP 11 Ca 0.11 0.06 0.27 0.00 -0.62 0.00 0.00 57.03 56.85 1reg h ASP 11 Cb -0.02 0.06 -0.15 0.00 0.18 0.00 0.00 39.33 39.40 1reg h ASP 11 CO -0.04 -0.08 0.36 0.15 -3.12 0.00 0.00 179.24 176.51 1reg h PHE 12 N 0.04 0.56 0.00 4.55 3.04 -1.74 0.36 116.94 123.76 1reg h PHE 12 Ca 0.83 0.05 -0.21 0.00 3.98 0.00 0.00 57.97 62.62 1reg h PHE 12 Cb 2.99 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 41.40 1reg h PHE 12 CO -0.00 -0.20 -0.90 -0.07 -2.02 0.00 0.00 178.31 175.12 1reg h LEU 13 N 0.25 0.34 -0.17 0.59 -0.00 -1.28 0.06 115.31 115.09 1reg h LEU 13 Ca 0.62 -0.27 -0.01 0.00 -0.00 0.00 0.00 57.88 58.22 1reg h LEU 13 Cb 1.32 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 1reg h LEU 13 CO -0.64 1.08 0.07 0.50 -0.00 0.00 0.00 178.44 179.45 1reg h LYS 14 N 0.14 0.25 -0.02 1.13 3.64 -0.60 -0.40 116.57 120.72 1reg h LYS 14 Ca -0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1reg h LYS 14 Cb 1.53 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1reg h LYS 14 CO 0.14 0.31 -0.00 0.28 -2.27 0.00 0.00 179.45 177.92 1reg h VAL 15 N 0.13 0.99 -1.00 2.00 2.07 -0.53 -0.65 116.25 119.26 1reg h VAL 15 Ca 0.06 -0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.73 1reg h VAL 15 Cb 0.15 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 1reg h VAL 15 CO -0.01 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.71 1reg h LYS 16 N 0.00 0.85 -0.30 1.57 3.64 -0.51 -0.99 116.57 120.84 1reg h LYS 16 Ca 0.01 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1reg h LYS 16 Cb 0.01 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1reg h LYS 16 CO -0.01 0.56 -0.31 1.49 -2.27 0.00 0.00 179.45 178.91 1reg h GLU 17 N 0.88 0.74 -0.69 1.90 4.22 -0.83 -3.17 114.58 117.63 1reg h GLU 17 Ca 0.53 -0.40 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 1reg h GLU 17 Cb 0.68 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1reg h GLU 17 CO -0.30 1.02 0.40 1.15 -2.18 0.00 0.00 179.01 179.09 1reg h THR 18 N 0.49 1.20 0.00 0.32 2.02 0.17 -1.83 112.91 115.28 1reg h THR 18 Ca 0.05 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1reg h THR 18 Cb 0.89 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1reg h THR 18 CO 0.08 0.21 -0.14 -0.07 0.37 0.00 0.00 175.52 175.97 1reg h LEU 19 N 0.95 0.00 -2.67 2.58 3.38 -1.34 -0.09 115.31 118.12 1reg h LEU 19 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1reg h LEU 19 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1reg h LEU 19 CO -0.04 0.14 -0.01 0.74 0.09 0.00 0.00 178.44 179.36 1reg h THR 20 N 0.00 0.18 -0.32 0.22 2.02 -1.31 -2.75 112.91 110.96 1reg h THR 20 Ca -0.00 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 1reg h THR 20 Cb 0.39 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 1reg h THR 20 CO 0.02 0.01 -0.04 0.54 0.37 0.00 0.00 175.52 176.41 1reg n ARG 21 N -3.33 2.12 -3.74 6.66 1.74 -0.05 -4.77 116.66 115.30 1reg n ARG 21 Ca -0.03 -3.06 -0.27 0.00 -0.77 0.00 0.00 57.85 53.72 1reg n ARG 21 Cb 0.10 -1.82 -0.17 0.00 -1.02 0.00 0.00 32.46 29.56 1reg n ARG 21 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1reg s MET 22 N -3.12 0.64 0.00 5.56 -1.94 -1.04 -0.98 119.30 118.43 1reg s MET 22 Ca 0.44 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 1reg s MET 22 Cb 0.38 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 35.27 1reg s MET 22 CO 0.03 -0.59 0.00 0.41 -0.01 0.00 0.00 175.02 174.85 1reg n GLY 23 N 5.07 1.18 3.69 -0.03 0.00 -0.75 -3.25 105.19 111.08 1reg n GLY 23 Ca -0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1reg n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1reg s ILE 24 N -1.83 4.85 0.15 -0.61 -1.09 -1.05 -0.24 121.20 121.37 1reg s ILE 24 Ca 0.00 1.83 0.02 0.00 -2.23 0.00 0.00 60.65 60.27 1reg s ILE 24 Cb 0.00 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1reg s ILE 24 CO 0.00 0.05 0.28 0.00 -1.23 0.00 0.00 174.94 174.04 1reg s ALA 25 N 1.88 3.96 -0.48 9.38 0.00 -1.26 -0.33 121.76 134.91 1reg s ALA 25 Ca 0.44 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1reg s ALA 25 Cb -0.18 -1.77 0.13 0.00 0.00 0.00 0.00 23.12 21.30 1reg s ALA 25 CO 0.16 0.55 0.25 1.21 0.00 0.00 0.00 175.76 177.93 1reg s ASN 26 N -3.21 4.00 0.21 0.00 2.47 0.14 -4.95 114.94 113.60 1reg s ASN 26 Ca 0.34 -2.84 0.20 0.00 0.42 0.00 0.00 52.86 50.99 1reg s ASN 26 Cb -0.11 -1.36 0.88 0.00 -1.45 0.00 0.00 41.25 39.22 1reg s ASN 26 CO 0.28 -0.25 1.60 0.59 -3.72 0.00 0.00 177.10 175.61 1reg n ASN 27 N 3.31 0.48 -0.03 -4.21 4.13 -1.26 -1.48 115.26 116.19 1reg n ASN 27 Ca 0.07 0.65 -0.16 0.00 1.68 0.00 0.00 54.58 56.81 1reg n ASN 27 Cb 0.33 -0.74 -0.13 0.00 -1.54 0.00 0.00 39.78 37.70 1reg n ASN 27 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1reg h LYS 28 N 0.00 0.10 -0.69 3.52 3.64 -1.93 -3.32 116.57 117.88 1reg h LYS 28 Ca 0.00 -0.16 -0.35 0.00 -1.27 0.00 0.00 60.65 58.87 1reg h LYS 28 Cb 0.23 0.06 -0.21 0.00 -0.41 0.00 0.00 32.23 31.90 1reg h LYS 28 CO 0.00 1.07 0.30 -0.25 -2.27 0.00 0.00 179.45 178.30 1reg n ASP 29 N -4.46 3.18 -3.83 4.20 9.92 -1.23 -4.96 116.55 119.36 1reg n ASP 29 Ca -0.11 -3.68 -0.21 0.00 -0.53 0.00 0.00 54.79 50.26 1reg n ASP 29 Cb 0.58 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1reg n ASP 29 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1reg n LYS 30 N -1.11 -0.70 -4.87 -1.24 5.02 -0.98 -4.86 118.16 109.42 1reg n LYS 30 Ca 0.47 -0.23 -0.33 0.00 -2.02 0.00 0.00 58.31 56.20 1reg n LYS 30 Cb 1.37 -0.68 -0.13 0.00 -0.02 0.00 0.00 35.03 35.57 1reg n LYS 30 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1reg s VAL 31 N -4.26 3.08 -0.07 -0.18 1.01 -0.55 -0.65 120.40 118.77 1reg s VAL 31 Ca 0.20 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1reg s VAL 31 Cb -0.11 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1reg s VAL 31 CO 0.44 0.58 -0.14 -0.22 0.00 0.00 0.00 175.10 175.77 1reg s LEU 32 N -0.58 1.69 -0.30 3.92 2.96 0.25 0.25 118.68 126.88 1reg s LEU 32 Ca 0.08 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.55 1reg s LEU 32 Cb -0.11 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1reg s LEU 32 CO 0.01 0.05 0.20 -0.31 -1.32 0.00 0.00 176.35 174.98 1reg s TYR 33 N 0.63 3.22 0.15 5.38 1.51 0.55 -1.00 117.35 127.80 1reg s TYR 33 Ca -0.15 -0.01 -0.33 0.00 -1.01 0.00 0.00 57.07 55.57 1reg s TYR 33 Cb -0.16 -2.40 -0.13 0.00 -0.11 0.00 0.00 41.96 39.15 1reg s TYR 33 CO 0.04 -0.23 1.63 0.94 -1.11 0.00 0.00 175.55 176.82 1reg n GLN 34 N 5.07 2.28 -0.10 -0.62 7.27 -0.83 -2.52 117.38 127.93 1reg n GLN 34 Ca -0.14 0.82 -0.24 0.00 0.07 0.00 0.00 57.00 57.52 1reg n GLN 34 Cb 0.51 -2.62 -0.11 0.00 2.41 0.00 0.00 30.24 30.43 1reg n GLN 34 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1reg n SER 35 N 3.80 1.94 -4.32 1.69 7.64 -1.20 -3.55 113.62 119.62 1reg n SER 35 Ca 0.17 0.31 -0.23 0.00 1.01 0.00 0.00 58.87 60.14 1reg n SER 35 Cb 0.30 -0.86 -0.12 0.00 -1.01 0.00 0.00 64.21 62.53 1reg n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1reg s HIS 37 N -1.69 2.02 -0.15 0.00 0.09 0.80 -4.84 115.29 111.53 1reg s HIS 37 Ca 0.12 -0.88 -0.00 0.00 -0.00 0.00 0.00 55.06 54.30 1reg s HIS 37 Cb -0.07 -1.31 -0.01 0.00 -0.00 0.00 0.00 32.58 31.19 1reg s HIS 37 CO 0.06 0.11 -0.13 -1.50 -0.00 0.00 0.00 174.74 173.27 1reg s ILE 38 N -3.18 2.95 0.08 0.60 2.07 -1.26 -1.02 121.20 121.43 1reg s ILE 38 Ca 0.35 -0.68 0.08 0.00 -1.41 0.00 0.00 60.65 58.98 1reg s ILE 38 Cb 0.08 -2.25 -0.03 0.00 0.13 0.00 0.00 42.46 40.39 1reg s ILE 38 CO 0.15 0.51 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.73 1reg s LEU 39 N 0.65 2.25 -0.15 8.50 1.43 -0.95 -4.99 118.68 125.42 1reg s LEU 39 Ca -0.07 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1reg s LEU 39 Cb -0.15 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1reg s LEU 39 CO 0.02 0.08 -0.03 -1.58 0.23 0.00 0.00 176.35 175.08 1reg s GLN 40 N -1.62 3.66 -0.04 1.70 0.74 -1.26 -1.08 119.66 121.76 1reg s GLN 40 Ca 0.06 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.97 1reg s GLN 40 Cb -0.09 -2.93 0.03 0.00 1.10 0.00 0.00 33.01 31.11 1reg s GLN 40 CO 0.03 0.27 -0.01 0.15 -0.55 0.00 0.00 175.29 175.18 1reg s LYS 41 N 0.30 0.54 -1.38 1.67 1.02 -0.09 -4.79 119.74 117.01 1reg s LYS 41 Ca -0.03 0.03 -0.09 0.00 0.02 0.00 0.00 55.97 55.90 1reg s LYS 41 Cb -0.14 -0.72 0.06 0.00 -0.52 0.00 0.00 37.83 36.51 1reg s LYS 41 CO 0.03 -0.16 0.59 1.17 -0.92 0.00 0.00 175.35 176.05 1reg n LYS 42 N 4.37 -4.00 0.00 1.68 3.00 -1.26 -0.91 118.16 121.04 1reg n LYS 42 Ca -0.21 0.58 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 1reg n LYS 42 Cb 0.50 -5.35 0.00 0.00 0.00 0.00 0.00 35.03 30.18 1reg n LYS 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1reg n GLY 43 N -1.32 2.93 3.92 3.14 0.00 -1.26 -5.03 105.19 107.57 1reg n GLY 43 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1reg n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1reg s LEU 44 N 0.00 4.22 0.09 0.99 2.01 -0.09 -5.06 118.68 120.84 1reg s LEU 44 Ca 0.00 0.42 0.02 0.00 0.01 0.00 0.00 54.13 54.59 1reg s LEU 44 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 46.19 42.97 1reg s LEU 44 CO 0.00 -0.04 0.15 -0.31 1.01 0.00 0.00 176.35 177.16 1reg s TYR 45 N -1.87 3.33 -0.04 0.29 2.02 -1.24 -0.91 117.35 118.93 1reg s TYR 45 Ca 0.39 0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 57.15 1reg s TYR 45 Cb -0.11 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 1reg s TYR 45 CO 0.29 0.54 0.17 0.71 -1.57 0.00 0.00 175.55 175.70 1reg s TYR 46 N -1.51 -0.11 -0.19 2.71 2.02 -0.24 -1.43 117.35 118.60 1reg s TYR 46 Ca 0.32 0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 57.13 1reg s TYR 46 Cb -0.12 0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.42 1reg s TYR 46 CO 0.25 -0.19 0.24 0.42 -1.57 0.00 0.00 175.55 174.71 1reg s ILE 47 N -0.56 5.33 -0.08 2.71 -1.09 -0.28 -2.24 121.20 124.99 1reg s ILE 47 Ca -0.07 0.41 0.03 0.00 -2.23 0.00 0.00 60.65 58.80 1reg s ILE 47 Cb -0.04 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1reg s ILE 47 CO 0.01 0.37 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.24 1reg s VAL 48 N 0.69 1.41 0.67 2.92 1.01 -0.19 -1.32 120.40 125.59 1reg s VAL 48 Ca 0.13 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1reg s VAL 48 Cb -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1reg s VAL 48 CO 0.03 0.42 1.11 -2.28 0.00 0.00 0.00 175.10 174.38 1reg s HIS 49 N 0.56 2.59 0.27 5.22 2.46 -1.26 -0.14 115.29 124.99 1reg s HIS 49 Ca -0.16 1.55 -0.01 0.00 0.47 0.00 0.00 55.06 56.92 1reg s HIS 49 Cb -0.16 -3.18 0.47 0.00 -0.13 0.00 0.00 32.58 29.57 1reg s HIS 49 CO 0.05 -1.74 1.85 0.27 -2.47 0.00 0.00 174.74 172.71 1reg h PHE 50 N -0.02 1.14 -0.26 3.88 -5.15 -0.68 -2.13 116.94 113.71 1reg h PHE 50 Ca -0.47 0.03 0.01 0.00 -0.20 0.00 0.00 57.97 57.35 1reg h PHE 50 Cb 1.25 -0.37 -0.01 0.00 0.22 0.00 0.00 35.95 37.04 1reg h PHE 50 CO 0.54 0.52 0.17 0.87 -2.00 0.00 0.00 178.31 178.42 1reg h LYS 51 N 1.06 0.30 -0.05 6.09 1.57 -1.92 -1.50 116.57 122.12 1reg h LYS 51 Ca 0.46 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1reg h LYS 51 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1reg h LYS 51 CO -0.22 0.20 -0.43 0.93 -0.57 0.00 0.00 179.45 179.35 1reg h GLU 52 N 0.30 0.12 -0.02 3.15 5.08 -1.75 0.21 114.58 121.68 1reg h GLU 52 Ca 0.10 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 1reg h GLU 52 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1reg h GLU 52 CO -0.02 0.53 -0.89 0.52 -1.00 0.00 0.00 179.01 178.15 1reg h MET 53 N 0.10 0.41 -0.62 2.33 2.86 -1.25 0.44 114.93 119.20 1reg h MET 53 Ca 0.01 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 1reg h MET 53 Cb 0.81 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1reg h MET 53 CO 0.06 1.08 0.31 -0.07 1.06 0.00 0.00 176.91 179.35 1reg h LEU 54 N 0.24 0.81 -1.27 1.22 4.07 -1.07 -0.79 115.31 118.52 1reg h LEU 54 Ca -0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 1reg h LEU 54 Cb 1.52 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 43.02 1reg h LEU 54 CO 0.15 0.71 0.32 -0.09 -1.08 0.00 0.00 178.44 178.45 1reg h ARG 55 N 0.85 0.83 -0.27 1.13 9.65 -0.26 -1.37 114.38 124.94 1reg h ARG 55 Ca 0.21 -0.09 -0.13 0.00 -1.10 0.00 0.00 59.98 58.88 1reg h ARG 55 Cb 0.11 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1reg h ARG 55 CO -0.03 0.61 -0.35 1.98 2.80 0.00 0.00 179.97 184.98 1reg h MET 56 N 0.83 0.60 0.00 0.20 4.05 -0.15 -2.00 114.93 118.46 1reg h MET 56 Ca 0.21 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1reg h MET 56 Cb 0.03 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1reg h MET 56 CO -0.03 0.87 0.00 -0.25 0.23 0.00 0.00 176.91 177.72 1reg n ASP 57 N -4.06 0.00 0.00 1.39 8.00 -0.37 -4.89 116.55 116.62 1reg n ASP 57 Ca -0.01 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1reg n ASP 57 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1reg n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1reg n GLY 58 N 0.47 0.51 3.74 0.44 0.00 -0.75 -5.06 105.19 104.54 1reg n GLY 58 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1reg n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1reg s ARG 59 N -0.72 4.61 -0.94 1.61 3.00 -0.53 -4.91 118.95 121.06 1reg s ARG 59 Ca 0.00 1.74 -0.19 0.00 0.00 0.00 0.00 55.73 57.28 1reg s ARG 59 Cb 0.00 -3.25 0.13 0.00 0.00 0.00 0.00 34.95 31.82 1reg s ARG 59 CO 0.00 0.11 1.15 -1.14 0.00 0.00 0.00 175.30 175.43 1reg s GLN 60 N -0.64 3.62 0.05 3.54 2.00 -1.26 -3.99 119.66 122.97 1reg s GLN 60 Ca 0.48 -1.76 0.07 0.00 -2.00 0.00 0.00 55.36 52.15 1reg s GLN 60 Cb -0.30 -4.94 -0.02 0.00 0.80 0.00 0.00 33.01 28.54 1reg s GLN 60 CO 0.36 -1.79 -0.18 0.08 -0.50 0.00 0.00 175.29 173.26 1reg s VAL 61 N 2.76 1.48 -0.08 1.34 1.01 -1.26 -5.07 120.40 120.57 1reg s VAL 61 Ca 0.34 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1reg s VAL 61 Cb -0.04 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1reg s VAL 61 CO -0.09 0.12 -0.10 -1.83 0.00 0.00 0.00 175.10 173.20 1reg s GLU 62 N -1.21 1.61 0.79 2.72 4.04 -1.26 -4.77 118.70 120.62 1reg s GLU 62 Ca 0.05 -0.34 -0.14 0.00 0.04 0.00 0.00 54.97 54.58 1reg s GLU 62 Cb -0.09 -1.46 0.06 0.00 0.02 0.00 0.00 34.13 32.66 1reg s GLU 62 CO 0.02 -0.10 1.08 -1.33 -1.84 0.00 0.00 175.26 173.09 1reg n MET 63 N 4.27 0.26 -3.12 -4.83 2.81 -1.26 -5.03 117.12 110.22 1reg n MET 63 Ca -0.19 0.16 -0.21 0.00 -1.81 0.00 0.00 57.70 55.65 1reg n MET 63 Cb 0.51 -2.33 0.01 0.00 -0.71 0.00 0.00 33.22 30.69 1reg n MET 63 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1reg s THR 64 N -2.04 3.76 0.16 2.03 -4.23 -1.26 -4.96 115.64 109.10 1reg s THR 64 Ca 0.72 -0.75 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 1reg s THR 64 Cb -0.30 -3.35 0.05 0.00 1.34 0.00 0.00 72.50 70.24 1reg s THR 64 CO 0.52 -0.19 1.74 -0.08 -0.54 0.00 0.00 174.62 176.06 1reg h GLU 65 N 0.56 0.24 -0.85 3.99 4.81 -1.99 -1.01 114.58 120.32 1reg h GLU 65 Ca -0.45 -0.01 0.17 0.00 -0.13 0.00 0.00 59.36 58.94 1reg h GLU 65 Cb 1.26 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 1reg h GLU 65 CO 0.54 0.16 0.41 0.93 -0.73 0.00 0.00 179.01 180.31 1reg h GLU 66 N 0.25 0.51 -0.18 1.92 5.08 -1.95 -0.51 114.58 119.70 1reg h GLU 66 Ca 0.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1reg h GLU 66 Cb 0.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1reg h GLU 66 CO -0.22 0.34 0.09 -0.44 -1.00 0.00 0.00 179.01 177.78 1reg h ASP 67 N 0.53 0.22 1.00 1.42 3.32 -1.72 -1.04 116.42 120.14 1reg h ASP 67 Ca 0.49 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.33 1reg h ASP 67 Cb 0.78 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1reg h ASP 67 CO -0.42 0.25 -0.57 1.05 -1.72 0.00 0.00 179.24 177.83 1reg h GLU 68 N 0.18 0.00 0.02 3.56 4.11 -0.72 -2.37 114.58 119.35 1reg h GLU 68 Ca 0.06 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.51 1reg h GLU 68 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1reg h GLU 68 CO -0.01 0.57 -0.09 0.28 0.07 0.00 0.00 179.01 179.83 1reg h VAL 69 N 0.00 0.77 -0.99 -1.06 2.07 -1.09 -1.04 116.25 114.91 1reg h VAL 69 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1reg h VAL 69 Cb 1.22 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 1reg h VAL 69 CO 0.07 0.00 0.63 -0.09 0.02 0.00 0.00 177.57 178.21 1reg h ARG 70 N -0.17 1.05 -0.03 1.57 2.43 -0.96 0.56 114.38 118.83 1reg h ARG 70 Ca 0.03 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1reg h ARG 70 Cb 0.20 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1reg h ARG 70 CO -0.08 0.70 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.97 1reg h ARG 71 N 1.09 0.07 -0.45 0.20 2.43 -1.33 0.55 114.38 116.93 1reg h ARG 71 Ca 0.46 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.55 1reg h ARG 71 Cb 0.30 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1reg h ARG 71 CO -0.21 0.48 0.09 -0.44 -1.51 0.00 0.00 179.97 178.37 1reg h ASP 72 N -0.35 0.63 0.34 -3.80 5.19 -0.11 -0.12 116.42 118.19 1reg h ASP 72 Ca 0.01 -0.11 -0.30 0.00 -0.62 0.00 0.00 57.03 56.01 1reg h ASP 72 Cb 0.46 -0.16 0.02 0.00 0.18 0.00 0.00 39.33 39.83 1reg h ASP 72 CO 0.00 0.64 -1.31 0.28 -3.12 0.00 0.00 179.24 175.74 1reg h SER 73 N 0.66 0.72 -0.61 6.45 0.02 -0.80 0.27 113.55 120.25 1reg h SER 73 Ca 0.15 -0.72 0.05 0.00 -0.84 0.00 0.00 61.79 60.43 1reg h SER 73 Cb 0.28 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1reg h SER 73 CO 0.00 1.55 0.33 0.40 -1.14 0.00 0.00 176.83 177.97 1reg h ILE 74 N 0.17 0.97 -0.07 3.27 2.04 -0.72 -0.93 117.51 122.24 1reg h ILE 74 Ca -0.19 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1reg h ILE 74 Cb 2.00 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1reg h ILE 74 CO 0.24 0.11 0.02 0.00 0.00 0.00 0.00 178.15 178.52 1reg h ALA 75 N 1.32 0.09 -0.06 1.87 0.00 -0.81 -2.19 119.26 119.48 1reg h ALA 75 Ca 0.27 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1reg h ALA 75 Cb 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1reg h ALA 75 CO -0.17 -0.30 0.04 -1.49 0.00 0.00 0.00 179.25 177.33 1reg h TRP 76 N -0.10 0.05 -0.18 0.00 4.06 -0.89 -2.11 115.95 116.78 1reg h TRP 76 Ca 0.02 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.83 1reg h TRP 76 Cb 0.22 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1reg h TRP 76 CO -0.00 0.03 -0.44 1.25 -3.56 0.00 0.00 178.44 175.72 1reg h LEU 77 N 0.05 0.70 -1.97 -4.49 5.85 -0.70 -1.26 115.31 113.50 1reg h LEU 77 Ca 0.03 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1reg h LEU 77 Cb 0.04 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1reg h LEU 77 CO -0.00 1.14 -0.10 -0.07 -0.34 0.00 0.00 178.44 179.07 1reg h LEU 78 N 0.29 0.00 -0.07 2.25 3.38 -1.08 0.12 115.31 120.20 1reg h LEU 78 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1reg h LEU 78 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1reg h LEU 78 CO 0.10 0.10 -0.47 -0.08 0.09 0.00 0.00 178.44 178.18 1reg h GLU 79 N 0.00 0.44 -0.84 1.13 4.81 -1.15 -0.78 114.58 118.18 1reg h GLU 79 Ca -0.00 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1reg h GLU 79 Cb 0.30 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1reg h GLU 79 CO 0.01 1.02 0.55 0.22 -0.73 0.00 0.00 179.01 180.08 1reg h ASP 80 N -0.02 0.80 0.34 1.04 3.58 0.06 0.54 116.42 122.76 1reg h ASP 80 Ca -0.04 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1reg h ASP 80 Cb 1.14 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1reg h ASP 80 CO 0.10 0.51 0.00 0.79 -2.88 0.00 0.00 179.24 177.75 1reg n TRP 81 N -4.49 0.00 -3.34 0.28 8.01 0.28 -4.92 117.44 113.26 1reg n TRP 81 Ca 0.13 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.16 1reg n TRP 81 Cb 0.23 -0.24 0.08 0.00 -2.01 0.00 0.00 31.31 29.36 1reg n TRP 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1reg n GLY 82 N 0.51 -0.86 0.00 6.99 0.00 0.19 -4.96 105.19 107.06 1reg n GLY 82 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1reg n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1reg n LEU 83 N -3.60 0.00 -4.06 0.99 4.77 -0.32 -5.03 117.00 109.75 1reg n LEU 83 Ca -0.15 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 1reg n LEU 83 Cb 0.64 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1reg n LEU 83 CO 0.60 0.00 -0.37 0.27 -1.33 0.00 0.00 177.39 176.56 1reg s ILE 84 N -1.62 0.29 0.07 -0.08 -4.36 -1.18 -4.51 121.20 109.80 1reg s ILE 84 Ca 0.00 -1.48 0.07 0.00 -0.26 0.00 0.00 60.65 58.98 1reg s ILE 84 Cb 0.00 -1.07 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 1reg s ILE 84 CO 0.00 -0.77 -0.15 -1.61 0.24 0.00 0.00 174.94 172.65 1reg s GLU 85 N -2.92 2.04 -0.20 0.37 2.02 0.09 -4.15 118.70 115.95 1reg s GLU 85 Ca -0.01 -1.02 -0.14 0.00 0.02 0.00 0.00 54.97 53.82 1reg s GLU 85 Cb 0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1reg s GLU 85 CO -0.05 0.52 0.29 0.42 0.02 0.00 0.00 175.26 176.46 1reg s ILE 86 N -1.06 5.28 0.13 -1.63 1.01 -1.26 -1.63 121.20 122.04 1reg s ILE 86 Ca 0.17 0.51 -0.33 0.00 0.00 0.00 0.00 60.65 61.00 1reg s ILE 86 Cb -0.11 -3.63 -0.13 0.00 0.01 0.00 0.00 42.46 38.61 1reg s ILE 86 CO 0.09 0.33 1.70 0.52 0.00 0.00 0.00 174.94 177.58 1reg n VAL 87 N 4.02 0.16 -1.89 2.92 0.31 -0.70 -4.91 118.33 118.24 1reg n VAL 87 Ca -0.11 -0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 63.80 1reg n VAL 87 Cb 0.52 -1.79 0.02 0.00 -0.91 0.00 0.00 33.84 31.68 1reg n VAL 87 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1reg s PRO 88 N 1.78 3.47 0.00 5.55 0.04 -1.26 -4.10 135.00 140.47 1reg s PRO 88 Ca 0.81 2.20 0.00 0.00 0.04 0.00 0.00 61.00 64.05 1reg s PRO 88 Cb -0.61 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1reg s PRO 88 CO 0.39 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1reg n GLY 89 N 0.64 1.22 3.58 0.56 0.00 -1.26 -5.10 105.19 104.84 1reg n GLY 89 Ca 0.08 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1reg n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1reg s GLN 90 N -0.61 2.11 -0.42 1.61 -0.21 -1.26 -5.09 119.66 115.78 1reg s GLN 90 Ca 0.00 -1.23 -0.17 0.00 0.02 0.00 0.00 55.36 53.98 1reg s GLN 90 Cb 0.00 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.84 1reg s GLN 90 CO 0.00 0.44 0.43 0.50 -2.12 0.00 0.00 175.29 174.54 1reg s ARG 91 N -2.79 3.08 0.24 2.91 3.52 -1.26 -5.06 118.95 119.59 1reg s ARG 91 Ca 0.25 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 1reg s ARG 91 Cb -0.09 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1reg s ARG 91 CO 0.15 -0.86 0.05 0.95 -0.81 0.00 0.00 175.30 174.79 1reg s THR 92 N 2.10 0.73 -0.41 4.11 -4.23 -1.26 -5.08 115.64 111.60 1reg s THR 92 Ca 0.11 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.33 1reg s THR 92 Cb -0.17 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.21 1reg s THR 92 CO 0.13 -0.17 1.24 -0.36 -0.54 0.00 0.00 174.62 174.92 1reg s PHE 93 N -3.63 2.71 -0.73 3.99 0.08 -1.26 -4.84 117.98 114.30 1reg s PHE 93 Ca 0.33 0.79 0.19 0.00 0.12 0.00 0.00 56.93 58.35 1reg s PHE 93 Cb 0.07 -4.22 -0.22 0.00 -0.57 0.00 0.00 43.02 38.08 1reg s PHE 93 CO 0.11 -1.49 0.73 -1.33 -0.10 0.00 0.00 175.22 173.13 1reg n MET 94 N 7.71 0.76 -4.08 0.44 2.81 -1.26 -4.50 117.12 118.99 1reg n MET 94 Ca 0.14 -0.03 -0.30 0.00 -1.81 0.00 0.00 57.70 55.69 1reg n MET 94 Cb 0.48 -1.40 -0.16 0.00 -0.71 0.00 0.00 33.22 31.43 1reg n MET 94 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1reg s LYS 95 N -2.88 2.33 0.58 0.03 1.02 -1.26 -5.09 119.74 114.48 1reg s LYS 95 Ca 0.05 -0.58 -0.13 0.00 0.02 0.00 0.00 55.97 55.33 1reg s LYS 95 Cb 0.14 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.29 1reg s LYS 95 CO 0.78 -0.21 1.02 0.34 -0.92 0.00 0.00 175.35 176.35 1reg s ASP 96 N 1.41 6.35 0.00 2.83 -1.08 -1.26 -5.02 116.67 119.90 1reg s ASP 96 Ca 0.04 1.48 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 1reg s ASP 96 Cb -0.13 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1reg s ASP 96 CO -0.10 -0.78 0.00 -0.11 0.52 0.00 0.00 175.17 174.70 1reg n LEU 97 N -2.33 0.00 0.00 -1.34 0.00 -1.26 -5.14 117.00 106.93 1reg n LEU 97 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 1reg n LEU 97 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.96 1reg n LEU 97 CO 0.54 0.00 0.00 0.41 0.00 0.00 0.00 177.39 178.34 1reg n THR 98 N -0.03 0.00 -1.65 1.96 -1.04 -1.26 -5.00 114.28 107.26 1reg n THR 98 Ca 0.00 0.00 -0.49 0.00 -2.04 0.00 0.00 64.05 61.52 1reg n THR 98 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1reg n THR 98 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1reg n ASN 99 N -0.17 2.69 -2.65 8.00 3.02 -1.26 -4.96 115.26 119.92 1reg n ASN 99 Ca 0.00 1.08 -0.05 0.00 -0.03 0.00 0.00 54.58 55.58 1reg n ASN 99 Cb 0.00 -1.33 0.01 0.00 -0.61 0.00 0.00 39.78 37.85 1reg n ASN 99 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1reg n ASN 100 N 3.72 0.65 -2.96 6.41 4.05 -1.26 -3.47 115.26 122.40 1reg n ASN 100 Ca 0.19 -1.36 -0.12 0.00 0.45 0.00 0.00 54.58 53.74 1reg n ASN 100 Cb 0.25 -0.08 -0.00 0.00 1.23 0.00 0.00 39.78 41.18 1reg n ASN 100 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1reg s PHE 101 N 0.04 0.61 -0.08 1.20 -0.71 -1.26 -4.83 117.98 112.95 1reg s PHE 101 Ca 0.12 -1.09 0.05 0.00 -1.04 0.00 0.00 56.93 54.97 1reg s PHE 101 Cb -0.01 0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 42.21 1reg s PHE 101 CO 0.08 -1.41 -0.23 0.50 -1.34 0.00 0.00 175.22 172.82 1reg s ARG 102 N -2.48 2.83 -0.13 1.99 6.06 0.66 -4.94 118.95 122.95 1reg s ARG 102 Ca 0.23 -0.87 -0.06 0.00 -2.50 0.00 0.00 55.73 52.53 1reg s ARG 102 Cb -0.03 -2.27 -0.04 0.00 0.06 0.00 0.00 34.95 32.67 1reg s ARG 102 CO 0.17 0.29 0.09 0.08 -2.50 0.00 0.00 175.30 173.43 1reg s VAL 103 N 0.07 5.06 -0.06 7.11 1.01 -1.26 -1.82 120.40 130.52 1reg s VAL 103 Ca -0.10 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1reg s VAL 103 Cb -0.16 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1reg s VAL 103 CO 0.06 0.57 -0.01 -0.63 0.00 0.00 0.00 175.10 175.09 1reg s ILE 104 N -0.57 4.16 0.56 2.22 1.09 -0.15 -5.00 121.20 123.52 1reg s ILE 104 Ca 0.11 -0.39 -0.17 0.00 -1.10 0.00 0.00 60.65 59.10 1reg s ILE 104 Cb -0.12 -2.78 -0.05 0.00 -1.06 0.00 0.00 42.46 38.45 1reg s ILE 104 CO 0.02 0.53 1.04 -0.94 -0.10 0.00 0.00 174.94 175.49 1reg s SER 105 N -1.08 6.04 0.59 3.58 1.04 -1.26 -4.85 113.70 117.76 1reg s SER 105 Ca 0.15 1.78 0.29 0.00 0.48 0.00 0.00 55.95 58.65 1reg s SER 105 Cb -0.11 -2.53 1.53 0.00 0.10 0.00 0.00 66.02 65.01 1reg s SER 105 CO 0.05 -0.99 1.96 0.15 0.98 0.00 0.00 173.24 175.39 1reg h PHE 106 N 0.70 0.00 -0.01 5.02 3.57 -1.99 0.18 116.94 124.42 1reg h PHE 106 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1reg h PHE 106 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1reg h PHE 106 CO 0.59 0.00 -0.72 1.17 -2.23 0.00 0.00 178.31 177.12 1reg n LYS 107 N -3.74 0.45 0.15 1.11 3.00 -1.26 -3.18 118.16 114.68 1reg n LYS 107 Ca 0.06 -0.35 0.13 0.00 -0.00 0.00 0.00 58.31 58.15 1reg n LYS 107 Cb 0.55 -1.49 0.45 0.00 0.00 0.00 0.00 35.03 34.54 1reg n LYS 107 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1reg h GLN 108 N 0.86 0.00 -0.92 1.64 4.20 -1.05 -3.40 115.11 116.44 1reg h GLN 108 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1reg h GLN 108 Cb 0.58 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.24 1reg h GLN 108 CO 0.00 0.00 -0.56 -0.22 -0.67 0.00 0.00 178.83 177.38 1reg h LYS 109 N 0.00 -0.05 0.00 1.46 3.64 -1.18 0.61 116.57 121.05 1reg h LYS 109 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1reg h LYS 109 Cb 0.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1reg h LYS 109 CO 0.00 -0.03 0.00 0.72 -2.27 0.00 0.00 179.45 177.87 1reg n HIS 110 N -5.30 0.00 0.18 1.91 8.25 -1.26 -2.18 115.22 116.83 1reg n HIS 110 Ca 0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.56 1reg n HIS 110 Cb 0.29 -0.44 0.18 0.00 1.12 0.00 0.00 29.99 31.14 1reg n HIS 110 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1reg h GLU 111 N 0.00 0.00 -5.99 -0.41 5.08 -1.14 -3.47 114.58 108.66 1reg h GLU 111 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1reg h GLU 111 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1reg h GLU 111 CO 0.00 0.29 -0.48 -1.58 -1.00 0.00 0.00 179.01 176.23 1reg s TRP 112 N -3.20 3.50 -0.35 4.33 0.52 -0.93 -4.97 118.94 117.85 1reg s TRP 112 Ca 0.04 0.18 -0.15 0.00 0.02 0.00 0.00 56.10 56.19 1reg s TRP 112 Cb 0.07 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 1reg s TRP 112 CO 0.69 0.55 0.36 0.21 0.02 0.00 0.00 176.95 178.79 1reg s LYS 113 N -2.90 3.54 -0.36 4.98 2.20 0.17 -4.98 119.74 122.40 1reg s LYS 113 Ca 0.35 -0.43 -0.17 0.00 -0.36 0.00 0.00 55.97 55.36 1reg s LYS 113 Cb -0.12 -3.81 -0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1reg s LYS 113 CO 0.28 -0.54 0.44 -0.51 -0.36 0.00 0.00 175.35 174.67 1reg s LEU 114 N 2.02 4.44 -0.29 5.43 1.43 -1.26 -0.58 118.68 129.87 1reg s LEU 114 Ca 0.12 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1reg s LEU 114 Cb -0.17 -2.46 0.07 0.00 0.03 0.00 0.00 46.19 43.66 1reg s LEU 114 CO 0.12 -0.44 -0.05 -0.69 0.23 0.00 0.00 176.35 175.52 1reg s VAL 115 N 2.22 2.24 0.14 -1.59 1.01 -0.17 -4.98 120.40 119.26 1reg s VAL 115 Ca 0.15 -1.86 -0.31 0.00 0.00 0.00 0.00 61.98 59.96 1reg s VAL 115 Cb -0.16 -2.43 -0.11 0.00 0.00 0.00 0.00 36.38 33.69 1reg s VAL 115 CO 0.13 -0.22 1.80 -2.16 0.00 0.00 0.00 175.10 174.65 1reg s PRO 116 N 1.04 4.14 0.11 2.72 0.04 -1.26 -1.96 135.00 139.83 1reg s PRO 116 Ca -0.02 2.58 0.27 0.00 0.04 0.00 0.00 61.00 63.87 1reg s PRO 116 Cb -0.20 -3.48 0.88 0.00 0.04 0.00 0.00 34.50 31.74 1reg s PRO 116 CO -0.06 -0.82 1.74 1.63 0.04 0.00 0.00 177.00 179.54 1reg n LYS 117 N 5.30 0.16 -0.49 4.56 5.02 -1.23 -4.66 118.16 126.82 1reg n LYS 117 Ca 0.17 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.36 1reg n LYS 117 Cb 0.38 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1reg n LYS 117 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1reg n TYR 118 N -1.92 0.70 0.00 2.13 9.36 -1.26 -4.43 117.16 121.73 1reg n TYR 118 Ca 0.06 -1.14 0.00 0.00 3.32 0.00 0.00 57.90 60.14 1reg n TYR 118 Cb 0.39 -1.12 0.00 0.00 -0.63 0.00 0.00 39.34 37.99 1reg n TYR 118 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1reg n THR 119 N 5.26 0.00 0.03 2.97 -1.04 -1.26 -4.99 114.28 115.25 1reg n THR 119 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1reg n THR 119 Cb 0.17 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.70 1reg n THR 119 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73