#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgr n PRO 4 N 0.00 0.98 -2.66 -0.72 -0.02 -1.26 -4.75 135.00 126.57 1pgr n PRO 4 Ca 0.00 0.35 -0.39 0.00 -2.02 0.00 0.00 63.50 61.44 1pgr n PRO 4 Cb 0.00 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1pgr n PRO 4 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1pgr s PRO 5 N 0.15 4.64 0.27 0.52 0.04 -1.26 -4.90 135.00 134.46 1pgr s PRO 5 Ca 0.82 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 1pgr s PRO 5 Cb -0.97 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.46 1pgr s PRO 5 CO 0.50 0.29 0.74 0.00 0.04 0.00 0.00 177.00 178.57 1pgr s ALA 6 N -1.36 3.36 -0.02 8.56 0.00 -1.26 -4.15 121.76 126.89 1pgr s ALA 6 Ca 0.47 0.13 -0.35 0.00 0.00 0.00 0.00 51.96 52.21 1pgr s ALA 6 Cb -0.25 -2.82 -0.13 0.00 0.00 0.00 0.00 23.12 19.92 1pgr s ALA 6 CO 0.31 0.32 1.74 0.43 0.00 0.00 0.00 175.76 178.56 1pgr n SER 7 N 0.23 3.11 -4.70 0.00 7.64 -1.26 -4.81 113.62 113.84 1pgr n SER 7 Ca 0.00 1.03 -0.31 0.00 1.01 0.00 0.00 58.87 60.60 1pgr n SER 7 Cb 0.52 -1.35 0.15 0.00 -1.01 0.00 0.00 64.21 62.51 1pgr n SER 7 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1pgr s PRO 8 N 2.79 1.35 0.22 1.43 0.02 -1.26 -4.80 135.00 134.75 1pgr s PRO 8 Ca 0.88 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.38 1pgr s PRO 8 Cb -0.74 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 31.98 1pgr s PRO 8 CO 0.48 -2.38 0.23 -1.54 -0.33 0.00 0.00 177.00 173.47 1pgr s SER 9 N -2.71 0.17 -1.37 2.53 1.04 0.83 -4.34 113.70 109.84 1pgr s SER 9 Ca 0.67 -1.29 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 1pgr s SER 9 Cb -0.23 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.35 1pgr s SER 9 CO 0.56 -0.94 0.63 -3.20 0.98 0.00 0.00 173.24 171.28 1pgr n ASN 10 N -0.38 -1.25 -4.69 7.02 5.15 -1.26 0.19 115.26 120.05 1pgr n ASN 10 Ca 0.01 -0.88 -0.42 0.00 -0.60 0.00 0.00 54.58 52.69 1pgr n ASN 10 Cb 0.65 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 36.20 1pgr n ASN 10 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1pgr s LEU 11 N -6.84 4.31 0.14 1.20 2.96 -1.26 -4.31 118.68 114.88 1pgr s LEU 11 Ca 0.08 1.93 0.06 0.00 -0.22 0.00 0.00 54.13 55.98 1pgr s LEU 11 Cb -0.04 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1pgr s LEU 11 CO 0.84 -0.59 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.21 1pgr s SER 12 N 1.48 2.03 -0.00 3.68 1.04 0.10 -4.98 113.70 117.04 1pgr s SER 12 Ca 0.58 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1pgr s SER 12 Cb -0.27 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1pgr s SER 12 CO 0.25 -0.18 -0.00 0.00 0.98 0.00 0.00 173.24 174.29 1pgr s LEU 14 N 0.10 1.88 -0.49 0.00 1.43 -0.42 -4.83 118.68 116.36 1pgr s LEU 14 Ca -0.01 -0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 1pgr s LEU 14 Cb -0.02 -0.41 0.03 0.00 0.03 0.00 0.00 46.19 45.83 1pgr s LEU 14 CO -0.00 0.07 0.84 -0.32 0.23 0.00 0.00 176.35 177.16 1pgr s MET 15 N 0.03 3.37 -0.46 1.70 -2.45 0.13 -0.58 119.30 121.04 1pgr s MET 15 Ca -0.00 -0.19 -0.22 0.00 -1.25 0.00 0.00 55.69 54.03 1pgr s MET 15 Cb -0.05 -3.99 0.03 0.00 1.25 0.00 0.00 34.83 32.07 1pgr s MET 15 CO -0.00 -1.26 0.72 -1.01 1.05 0.00 0.00 175.02 174.51 1pgr s HIS 16 N 3.51 3.01 0.34 4.11 0.09 -0.41 -2.46 115.29 123.49 1pgr s HIS 16 Ca 0.30 -0.04 0.19 0.00 -0.00 0.00 0.00 55.06 55.50 1pgr s HIS 16 Cb -0.13 -3.55 0.97 0.00 -0.00 0.00 0.00 32.58 29.87 1pgr s HIS 16 CO 0.21 -0.98 1.90 -0.07 -0.00 0.00 0.00 174.74 175.80 1pgr h LEU 17 N 9.97 0.00 0.30 0.89 3.38 -1.86 0.61 115.31 128.60 1pgr h LEU 17 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1pgr h LEU 17 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1pgr h LEU 17 CO 0.94 0.27 -0.14 0.74 0.09 0.00 0.00 178.44 180.35 1pgr h THR 18 N 0.00 0.73 -0.01 0.22 2.02 -1.93 -3.09 112.91 110.85 1pgr h THR 18 Ca -0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1pgr h THR 18 Cb 0.58 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1pgr h THR 18 CO 0.04 0.03 -0.40 0.35 0.37 0.00 0.00 175.52 175.90 1pgr n THR 19 N -5.23 0.00 -3.62 3.16 -2.24 -1.19 -4.97 114.28 100.19 1pgr n THR 19 Ca -0.10 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 1pgr n THR 19 Cb 0.20 0.70 0.04 0.00 -2.10 0.00 0.00 70.33 69.17 1pgr n THR 19 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pgr n ASN 20 N -0.59 -2.89 -3.71 3.42 4.05 0.21 -4.85 115.26 110.91 1pgr n ASN 20 Ca 0.10 -0.84 -0.14 0.00 0.45 0.00 0.00 54.58 54.15 1pgr n ASN 20 Cb 0.38 -4.11 -0.09 0.00 1.23 0.00 0.00 39.78 37.20 1pgr n ASN 20 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1pgr s SER 21 N -4.03 -0.39 -0.55 1.20 1.04 -0.71 -1.90 113.70 108.35 1pgr s SER 21 Ca 0.17 0.57 -0.28 0.00 0.48 0.00 0.00 55.95 56.89 1pgr s SER 21 Cb -0.05 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1pgr s SER 21 CO 0.81 -0.32 1.20 -0.22 0.98 0.00 0.00 173.24 175.69 1pgr s LEU 22 N -0.54 3.49 -0.30 2.42 2.96 -0.19 -1.28 118.68 125.24 1pgr s LEU 22 Ca -0.07 0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 53.94 1pgr s LEU 22 Cb -0.03 -3.25 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 1pgr s LEU 22 CO 0.03 -1.45 0.23 -0.69 -1.32 0.00 0.00 176.35 173.15 1pgr s VAL 23 N 4.94 5.28 0.14 1.68 1.01 0.25 -0.59 120.40 133.12 1pgr s VAL 23 Ca 0.45 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1pgr s VAL 23 Cb -0.08 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1pgr s VAL 23 CO 0.27 0.14 -0.00 0.00 0.00 0.00 0.00 175.10 175.51 1pgr s GLN 25 N -2.67 0.45 0.24 0.00 -2.07 -0.63 -1.00 119.66 113.98 1pgr s GLN 25 Ca 0.26 -0.04 0.01 0.00 -1.82 0.00 0.00 55.36 53.77 1pgr s GLN 25 Cb -0.10 0.20 -0.05 0.00 -1.09 0.00 0.00 33.01 31.97 1pgr s GLN 25 CO 0.18 -0.10 0.09 1.67 -1.32 0.00 0.00 175.29 175.82 1pgr s TRP 26 N -0.74 1.42 -0.38 9.60 -2.14 -0.99 -0.72 118.94 124.98 1pgr s TRP 26 Ca -0.08 -1.21 -0.13 0.00 2.66 0.00 0.00 56.10 57.34 1pgr s TRP 26 Cb -0.05 -0.80 0.02 0.00 -3.10 0.00 0.00 33.47 29.54 1pgr s TRP 26 CO 0.02 -0.40 0.25 -2.00 -2.66 0.00 0.00 176.95 172.16 1pgr s GLU 27 N -4.05 3.01 0.49 3.25 2.56 0.51 -4.78 118.70 119.67 1pgr s GLU 27 Ca 0.37 -0.98 0.33 0.00 0.00 0.00 0.00 54.97 54.69 1pgr s GLU 27 Cb 0.07 -3.84 1.73 0.00 2.00 0.00 0.00 34.13 34.10 1pgr s GLU 27 CO 0.12 -0.67 2.00 -1.00 -0.56 0.00 0.00 175.26 175.15 1pgr h PRO 28 N 8.53 0.00 0.00 4.30 0.13 -1.93 0.24 132.00 143.27 1pgr h PRO 28 Ca -0.27 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.00 1pgr h PRO 28 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1pgr h PRO 28 CO 0.69 0.00 -0.19 0.41 -0.23 0.00 0.00 178.00 178.68 1pgr n GLY 29 N -1.03 -1.95 3.36 1.56 0.00 -1.26 -4.66 105.19 101.21 1pgr n GLY 29 Ca -0.02 -1.32 -0.61 0.00 0.00 0.00 0.00 46.02 44.07 1pgr n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pgr n PRO 30 N -2.19 0.05 -1.64 1.61 -0.02 -1.26 -4.85 135.00 126.70 1pgr n PRO 30 Ca 0.00 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.09 1pgr n PRO 30 Cb 0.24 -1.54 0.01 0.00 -0.02 0.00 0.00 33.50 32.20 1pgr n PRO 30 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1pgr n GLU 31 N 6.83 1.49 0.00 -0.52 4.07 -1.26 -4.60 120.64 126.64 1pgr n GLU 31 Ca 0.50 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 58.13 1pgr n GLU 31 Cb -0.03 -2.16 0.00 0.00 -0.06 0.00 0.00 31.44 29.19 1pgr n GLU 31 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1pgr n THR 32 N -0.49 0.00 0.00 6.31 -2.24 -1.26 -5.03 114.28 111.56 1pgr n THR 32 Ca 0.09 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1pgr n THR 32 Cb 0.40 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1pgr n THR 32 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1pgr n THR 36 N -1.42 0.00 -3.54 4.28 5.66 -1.26 -1.65 114.28 116.37 1pgr n THR 36 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1pgr n THR 36 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1pgr n THR 36 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1pgr s SER 37 N 0.00 -0.49 -0.06 1.09 1.04 -0.95 -4.93 113.70 109.40 1pgr s SER 37 Ca 0.00 0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.91 1pgr s SER 37 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1pgr s SER 37 CO 0.00 -0.52 -0.18 -0.36 0.98 0.00 0.00 173.24 173.16 1pgr s PHE 38 N -1.57 1.88 -0.18 5.02 0.08 -1.25 -0.88 117.98 121.07 1pgr s PHE 38 Ca -0.04 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.38 1pgr s PHE 38 Cb -0.00 -1.28 0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1pgr s PHE 38 CO 0.02 -0.25 -0.09 0.42 -0.10 0.00 0.00 175.22 175.22 1pgr s ILE 39 N 0.24 1.48 -0.19 0.64 1.01 -0.34 -1.06 121.20 122.98 1pgr s ILE 39 Ca -0.09 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 1pgr s ILE 39 Cb -0.14 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1pgr s ILE 39 CO 0.04 0.18 1.23 -0.22 0.00 0.00 0.00 174.94 176.17 1pgr s LEU 40 N 1.47 4.14 0.00 2.97 2.96 0.89 -0.66 118.68 130.46 1pgr s LEU 40 Ca -0.00 1.60 0.08 0.00 -0.22 0.00 0.00 54.13 55.58 1pgr s LEU 40 Cb -0.16 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1pgr s LEU 40 CO -0.08 -0.77 -0.24 -0.54 -1.32 0.00 0.00 176.35 173.39 1pgr s LYS 41 N 3.50 1.87 0.26 1.98 1.02 0.66 -2.00 119.74 127.04 1pgr s LYS 41 Ca 0.53 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.54 1pgr s LYS 41 Cb -0.20 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 1pgr s LYS 41 CO 0.14 0.51 0.33 -1.54 -0.92 0.00 0.00 175.35 173.87 1pgr s SER 42 N -0.78 0.37 -0.19 2.83 1.04 -1.26 -1.34 113.70 114.38 1pgr s SER 42 Ca 0.10 -1.29 -0.15 0.00 0.48 0.00 0.00 55.95 55.08 1pgr s SER 42 Cb -0.09 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.61 1pgr s SER 42 CO 0.00 -1.06 0.49 0.72 0.98 0.00 0.00 173.24 174.37 1pgr s PHE 43 N -3.80 -0.60 0.72 5.02 -0.12 -0.98 -2.80 117.98 115.42 1pgr s PHE 43 Ca 0.32 1.38 -0.16 0.00 -0.05 0.00 0.00 56.93 58.42 1pgr s PHE 43 Cb 0.02 0.24 0.02 0.00 -0.63 0.00 0.00 43.02 42.68 1pgr s PHE 43 CO 0.14 -0.30 1.12 0.54 -0.05 0.00 0.00 175.22 176.67 1pgr n ARG 44 N 3.28 0.61 -2.88 1.99 1.74 0.21 -2.68 116.66 118.93 1pgr n ARG 44 Ca -0.16 0.27 -0.04 0.00 -0.77 0.00 0.00 57.85 57.15 1pgr n ARG 44 Cb 0.56 -2.37 0.02 0.00 -1.02 0.00 0.00 32.46 29.65 1pgr n ARG 44 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pgr n SER 45 N -2.14 -1.26 -4.31 0.55 2.88 -1.00 -0.91 113.62 107.43 1pgr n SER 45 Ca 0.14 -1.77 -0.24 0.00 -1.33 0.00 0.00 58.87 55.67 1pgr n SER 45 Cb 0.49 2.07 -0.02 0.00 -0.75 0.00 0.00 64.21 66.00 1pgr n SER 45 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1pgr n ARG 46 N -0.41 0.88 -1.49 -1.46 3.00 -1.26 -4.06 116.66 111.87 1pgr n ARG 46 Ca -0.03 -2.97 -0.38 0.00 -0.00 0.00 0.00 57.85 54.47 1pgr n ARG 46 Cb 0.37 0.54 0.04 0.00 0.00 0.00 0.00 32.46 33.41 1pgr n ARG 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pgr n ALA 47 N -1.87 -0.98 -0.76 5.13 0.00 -1.26 -1.89 120.51 118.87 1pgr n ALA 47 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1pgr n ALA 47 Cb 0.53 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1pgr n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pgr n ASP 48 N 0.37 -0.77 -2.58 0.00 9.92 -1.26 -3.54 116.55 118.70 1pgr n ASP 48 Ca 0.12 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.24 1pgr n ASP 48 Cb 0.47 -1.55 -0.00 0.00 -0.64 0.00 0.00 41.12 39.40 1pgr n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pgr h GLN 50 N -0.16 0.35 -6.24 0.00 4.20 -1.73 -3.45 115.11 108.08 1pgr h GLN 50 Ca -0.30 -0.56 -0.55 0.00 0.06 0.00 0.00 58.65 57.30 1pgr h GLN 50 Cb 1.22 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 1pgr h GLN 50 CO 0.36 1.25 1.05 -0.47 -0.67 0.00 0.00 178.83 180.35 1pgr s TYR 51 N -2.72 2.17 -1.24 2.96 5.04 -1.26 -4.96 117.35 117.34 1pgr s TYR 51 Ca -0.05 0.37 -0.13 0.00 -2.44 0.00 0.00 57.07 54.83 1pgr s TYR 51 Cb 0.07 -3.82 0.16 0.00 0.35 0.00 0.00 41.96 38.71 1pgr s TYR 51 CO 0.90 -3.37 1.61 0.94 -1.34 0.00 0.00 175.55 174.28 1pgr n GLN 52 N 7.01 3.43 0.00 4.97 -0.06 -1.26 -4.16 117.38 127.31 1pgr n GLN 52 Ca 0.16 -3.69 0.00 0.00 -2.00 0.00 0.00 57.00 51.47 1pgr n GLN 52 Cb 0.43 -3.03 0.00 0.00 -4.06 0.00 0.00 30.24 23.58 1pgr n GLN 52 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1pgr n GLY 53 N 3.75 -1.61 3.72 1.69 0.00 -0.09 -5.01 105.19 107.65 1pgr n GLY 53 Ca 0.39 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 1pgr n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgr s ASP 54 N -1.26 4.35 -0.44 1.61 1.01 -1.25 -4.35 116.67 116.34 1pgr s ASP 54 Ca 0.00 2.53 -0.27 0.00 0.71 0.00 0.00 52.55 55.52 1pgr s ASP 54 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1pgr s ASP 54 CO 0.00 -2.17 1.01 -0.89 0.21 0.00 0.00 175.17 173.33 1pgr s THR 55 N -1.64 4.39 0.10 -1.27 2.01 -1.26 0.68 115.64 118.65 1pgr s THR 55 Ca 0.79 1.05 -0.31 0.00 0.31 0.00 0.00 61.69 63.53 1pgr s THR 55 Cb -0.34 -4.48 -0.07 0.00 0.01 0.00 0.00 72.50 67.61 1pgr s THR 55 CO 0.42 -0.83 1.35 -0.63 -0.69 0.00 0.00 174.62 174.25 1pgr s ILE 56 N 3.96 3.45 0.22 1.82 1.01 -1.12 -4.90 121.20 125.64 1pgr s ILE 56 Ca 0.42 1.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.80 1pgr s ILE 56 Cb -0.09 -3.67 -0.15 0.00 0.01 0.00 0.00 42.46 38.56 1pgr s ILE 56 CO 0.26 0.08 1.00 -2.65 0.00 0.00 0.00 174.94 173.64 1pgr n PRO 57 N 3.99 1.05 -1.91 2.79 -0.02 -1.26 -4.46 135.00 135.17 1pgr n PRO 57 Ca 0.11 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 1pgr n PRO 57 Cb 0.43 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1pgr n PRO 57 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pgr s ASP 58 N -0.38 6.54 -0.30 2.55 1.11 -1.26 -4.87 116.67 120.06 1pgr s ASP 58 Ca 0.66 2.77 -0.08 0.00 0.18 0.00 0.00 52.55 56.08 1pgr s ASP 58 Cb -0.81 -2.62 -0.00 0.00 1.07 0.00 0.00 42.92 40.55 1pgr s ASP 58 CO 0.56 -0.79 0.11 0.00 1.18 0.00 0.00 175.17 176.23 1pgr s VAL 60 N 1.57 5.28 0.54 0.00 -7.23 -1.26 -0.08 120.40 119.21 1pgr s VAL 60 Ca 0.04 0.41 -0.22 0.00 -1.81 0.00 0.00 61.98 60.40 1pgr s VAL 60 Cb -0.17 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 1pgr s VAL 60 CO 0.04 0.29 1.37 0.00 -0.31 0.00 0.00 175.10 176.49 1pgr n ALA 61 N 4.50 1.63 -1.23 1.32 0.00 -0.22 -4.98 120.51 121.54 1pgr n ALA 61 Ca -0.12 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1pgr n ALA 61 Cb 0.52 -2.36 0.24 0.00 0.00 0.00 0.00 19.45 17.84 1pgr n ALA 61 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pgr s LYS 62 N -2.84 -1.01 0.00 0.00 3.01 -1.26 -4.72 119.74 112.92 1pgr s LYS 62 Ca 0.70 -0.17 0.00 0.00 -1.01 0.00 0.00 55.97 55.49 1pgr s LYS 62 Cb -0.42 -1.63 0.00 0.00 -1.01 0.00 0.00 37.83 34.77 1pgr s LYS 62 CO 0.50 -3.55 0.16 1.63 0.51 0.00 0.00 175.35 174.60 1pgr n LYS 63 N -4.63 0.00 -0.95 1.68 4.76 -1.26 -3.07 118.16 114.69 1pgr n LYS 63 Ca 0.14 0.16 -0.06 0.00 -2.87 0.00 0.00 58.31 55.68 1pgr n LYS 63 Cb 0.60 -0.60 0.28 0.00 -1.84 0.00 0.00 35.03 33.46 1pgr n LYS 63 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pgr n ARG 64 N -0.35 3.47 -3.50 1.97 5.12 -1.26 -4.90 116.66 117.21 1pgr n ARG 64 Ca 0.00 -2.81 -0.41 0.00 -1.93 0.00 0.00 57.85 52.70 1pgr n ARG 64 Cb 0.00 -2.14 -0.10 0.00 -1.16 0.00 0.00 32.46 29.05 1pgr n ARG 64 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1pgr s GLN 65 N -2.78 3.32 -0.24 5.56 -1.52 -1.17 -4.98 119.66 117.84 1pgr s GLN 65 Ca 0.51 -0.76 -0.04 0.00 -1.95 0.00 0.00 55.36 53.11 1pgr s GLN 65 Cb 0.40 -3.87 -0.05 0.00 -0.22 0.00 0.00 33.01 29.28 1pgr s GLN 65 CO 0.12 -0.55 2.95 0.09 -0.25 0.00 0.00 175.29 177.65 1pgr n ASN 66 N 5.13 5.95 -3.46 5.90 5.03 -1.26 -4.28 115.26 128.27 1pgr n ASN 66 Ca -0.12 -2.87 -0.12 0.00 0.87 0.00 0.00 54.58 52.34 1pgr n ASN 66 Cb 0.49 -1.27 -0.03 0.00 -1.02 0.00 0.00 39.78 37.95 1pgr n ASN 66 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1pgr s ASN 67 N 1.04 -0.51 0.00 6.41 2.20 -1.26 -2.35 114.94 120.47 1pgr s ASN 67 Ca 0.55 0.10 0.00 0.00 -0.94 0.00 0.00 52.86 52.57 1pgr s ASN 67 Cb 0.32 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 40.08 1pgr s ASN 67 CO -0.10 -0.80 0.00 0.00 -2.94 0.00 0.00 177.10 173.26 1pgr n SER 69 N 0.00 0.00 -4.60 0.00 2.88 -1.26 -4.09 113.62 106.54 1pgr n SER 69 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1pgr n SER 69 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1pgr n SER 69 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1pgr s ILE 70 N 0.00 4.86 0.44 2.46 1.01 0.24 -4.91 121.20 125.30 1pgr s ILE 70 Ca 0.00 1.01 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 1pgr s ILE 70 Cb 0.00 -4.08 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 1pgr s ILE 70 CO 0.00 -0.21 1.28 -2.16 0.00 0.00 0.00 174.94 173.85 1pgr s PRO 71 N 2.80 3.81 0.14 2.79 0.04 -1.26 -1.02 135.00 142.31 1pgr s PRO 71 Ca 0.29 2.08 0.11 0.00 0.04 0.00 0.00 61.00 63.51 1pgr s PRO 71 Cb -0.14 -2.61 0.56 0.00 0.04 0.00 0.00 34.50 32.34 1pgr s PRO 71 CO 0.12 -0.60 1.33 2.89 0.04 0.00 0.00 177.00 180.78 1pgr n ARG 72 N -0.16 0.07 0.22 4.56 1.85 -0.80 -0.95 116.66 121.44 1pgr n ARG 72 Ca 0.05 0.54 0.07 0.00 -1.00 0.00 0.00 57.85 57.51 1pgr n ARG 72 Cb 0.45 -1.71 0.49 0.00 -1.05 0.00 0.00 32.46 30.64 1pgr n ARG 72 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1pgr h LYS 73 N 0.00 0.00 -0.75 2.89 2.10 -1.90 -2.65 116.57 116.27 1pgr h LYS 73 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1pgr h LYS 73 Cb 0.03 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.28 1pgr h LYS 73 CO 0.00 0.27 0.17 0.09 -2.00 0.00 0.00 179.45 177.97 1pgr n ASN 74 N -3.90 4.66 -3.99 7.07 5.03 -0.13 -4.94 115.26 119.07 1pgr n ASN 74 Ca -0.02 -2.97 -0.17 0.00 0.87 0.00 0.00 54.58 52.29 1pgr n ASN 74 Cb 0.35 -0.70 -0.15 0.00 -1.02 0.00 0.00 39.78 38.26 1pgr n ASN 74 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1pgr s LEU 75 N -2.50 2.02 0.33 3.41 1.43 -1.00 -4.87 118.68 117.50 1pgr s LEU 75 Ca 0.47 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.31 1pgr s LEU 75 Cb 0.37 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 46.15 1pgr s LEU 75 CO 0.12 0.08 0.73 -0.22 0.23 0.00 0.00 176.35 177.30 1pgr s LEU 76 N -0.17 4.02 -0.15 1.79 2.96 -1.26 -4.99 118.68 120.87 1pgr s LEU 76 Ca 0.03 1.23 -0.13 0.00 -0.22 0.00 0.00 54.13 55.03 1pgr s LEU 76 Cb -0.03 -4.05 -0.04 0.00 0.50 0.00 0.00 46.19 42.57 1pgr s LEU 76 CO -0.00 -0.24 -0.26 0.18 -1.32 0.00 0.00 176.35 174.71 1pgr n LEU 77 N -0.54 1.74 -3.20 -0.68 4.77 -1.26 -4.54 117.00 113.30 1pgr n LEU 77 Ca 0.03 0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 56.08 1pgr n LEU 77 Cb 0.53 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1pgr n LEU 77 CO 0.43 -0.37 2.01 -1.22 -1.33 0.00 0.00 177.39 176.91 1pgr n TYR 78 N -4.37 2.37 -3.91 -1.77 4.02 -1.26 -4.10 117.16 108.14 1pgr n TYR 78 Ca -0.10 -2.52 -0.09 0.00 -0.01 0.00 0.00 57.90 55.17 1pgr n TYR 78 Cb 0.38 -1.59 -0.09 0.00 -0.02 0.00 0.00 39.34 38.02 1pgr n TYR 78 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1pgr s GLN 79 N -1.90 0.64 0.48 -0.72 -1.52 -1.26 -5.11 119.66 110.27 1pgr s GLN 79 Ca 0.53 -0.76 -0.14 0.00 -1.95 0.00 0.00 55.36 53.04 1pgr s GLN 79 Cb 0.25 0.25 -0.07 0.00 -0.22 0.00 0.00 33.01 33.23 1pgr s GLN 79 CO -0.15 -0.17 0.90 0.71 -0.25 0.00 0.00 175.29 176.33 1pgr s TYR 80 N -2.77 3.47 -0.03 0.91 2.02 -1.26 -4.25 117.35 115.45 1pgr s TYR 80 Ca -0.04 1.28 -0.20 0.00 -0.37 0.00 0.00 57.07 57.74 1pgr s TYR 80 Cb -0.00 -2.64 0.04 0.00 -0.40 0.00 0.00 41.96 38.96 1pgr s TYR 80 CO -0.05 -0.28 0.44 0.00 -1.57 0.00 0.00 175.55 174.08 1pgr s MET 81 N -4.07 0.80 -0.26 -0.62 0.23 -0.10 -2.37 119.30 112.91 1pgr s MET 81 Ca 0.55 -0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 55.07 1pgr s MET 81 Cb -0.10 0.37 -0.05 0.00 -1.53 0.00 0.00 34.83 33.52 1pgr s MET 81 CO 0.33 -0.23 0.18 0.00 -2.03 0.00 0.00 175.02 173.27 1pgr s ALA 82 N -1.28 3.57 0.13 3.16 0.00 -1.09 -1.62 121.76 124.64 1pgr s ALA 82 Ca -0.13 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 50.97 1pgr s ALA 82 Cb -0.03 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1pgr s ALA 82 CO 0.06 -0.36 -0.24 0.42 0.00 0.00 0.00 175.76 175.65 1pgr s ILE 83 N 1.38 2.47 -0.11 0.00 -1.09 -0.28 -2.31 121.20 121.26 1pgr s ILE 83 Ca 0.08 -1.68 -0.30 0.00 -2.23 0.00 0.00 60.65 56.52 1pgr s ILE 83 Cb -0.15 -2.11 0.11 0.00 -1.58 0.00 0.00 42.46 38.73 1pgr s ILE 83 CO 0.07 0.08 0.93 -1.66 -1.23 0.00 0.00 174.94 173.14 1pgr s TRP 84 N -1.12 -0.40 -0.00 3.97 -2.14 -0.45 0.08 118.94 118.88 1pgr s TRP 84 Ca 0.16 0.61 -0.00 0.00 2.66 0.00 0.00 56.10 59.52 1pgr s TRP 84 Cb -0.10 0.46 -0.04 0.00 -3.10 0.00 0.00 33.47 30.70 1pgr s TRP 84 CO 0.08 -0.42 0.08 0.08 -2.66 0.00 0.00 176.95 174.10 1pgr s VAL 85 N -1.57 4.72 -0.11 -0.66 1.01 -1.26 -0.24 120.40 122.27 1pgr s VAL 85 Ca -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1pgr s VAL 85 Cb -0.01 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1pgr s VAL 85 CO 0.00 0.34 -0.18 -1.58 0.00 0.00 0.00 175.10 173.69 1pgr s GLN 86 N -1.76 2.49 -0.25 2.72 0.74 0.17 -1.76 119.66 122.02 1pgr s GLN 86 Ca 0.23 -0.66 -0.10 0.00 0.05 0.00 0.00 55.36 54.88 1pgr s GLN 86 Cb -0.12 -2.05 -0.05 0.00 1.10 0.00 0.00 33.01 31.89 1pgr s GLN 86 CO 0.14 -0.02 0.14 0.00 -0.55 0.00 0.00 175.29 175.00 1pgr s ALA 87 N 0.86 3.49 -0.13 1.58 0.00 -0.07 -1.20 121.76 126.30 1pgr s ALA 87 Ca -0.08 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1pgr s ALA 87 Cb -0.15 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.71 1pgr s ALA 87 CO -0.00 -0.29 -0.14 -2.00 0.00 0.00 0.00 175.76 173.33 1pgr s GLU 88 N 1.25 2.15 0.31 0.00 2.12 -0.06 0.37 118.70 124.85 1pgr s GLU 88 Ca 0.07 -0.51 0.09 0.00 0.36 0.00 0.00 54.97 54.98 1pgr s GLU 88 Cb -0.14 -1.94 -0.06 0.00 0.26 0.00 0.00 34.13 32.25 1pgr s GLU 88 CO 0.06 -0.17 -0.11 -0.80 -0.54 0.00 0.00 175.26 173.69 1pgr s ASN 89 N 1.32 3.46 0.63 -1.70 0.01 0.31 -2.23 114.94 116.73 1pgr s ASN 89 Ca 0.00 -1.16 0.35 0.00 -0.71 0.00 0.00 52.86 51.35 1pgr s ASN 89 Cb -0.14 -0.30 2.00 0.00 0.41 0.00 0.00 41.25 43.22 1pgr s ASN 89 CO -0.07 -0.18 2.24 0.00 -1.51 0.00 0.00 177.10 177.57 1pgr h MET 90 N 2.14 0.00 -0.65 -0.60 -0.00 -2.00 -1.77 114.93 112.06 1pgr h MET 90 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 1pgr h MET 90 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 1pgr h MET 90 CO 0.67 0.00 0.00 1.28 -0.00 0.00 0.00 176.91 178.86 1pgr n LEU 91 N -3.47 5.07 0.00 -0.10 4.77 -1.26 -5.03 117.00 116.97 1pgr n LEU 91 Ca -0.02 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1pgr n LEU 91 Cb 0.16 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1pgr n LEU 91 CO 0.23 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1pgr n GLY 92 N 1.04 2.67 2.96 -0.72 0.00 -0.67 -4.31 105.19 106.17 1pgr n GLY 92 Ca 0.27 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 1pgr n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pgr s SER 93 N 0.00 0.74 0.39 1.61 1.04 -1.26 -0.53 113.70 115.69 1pgr s SER 93 Ca 0.00 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.40 1pgr s SER 93 Cb 0.00 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 1pgr s SER 93 CO 0.00 0.05 0.30 -0.94 0.98 0.00 0.00 173.24 173.64 1pgr s SER 94 N 0.02 4.96 -0.24 7.02 1.04 0.16 -4.94 113.70 121.72 1pgr s SER 94 Ca 0.00 -0.75 -0.13 0.00 0.48 0.00 0.00 55.95 55.55 1pgr s SER 94 Cb -0.04 -0.66 0.08 0.00 0.10 0.00 0.00 66.02 65.50 1pgr s SER 94 CO -0.00 -0.53 0.58 -0.70 0.98 0.00 0.00 173.24 173.57 1pgr s GLU 95 N -4.03 0.58 0.87 4.02 2.12 -1.26 -0.89 118.70 120.10 1pgr s GLU 95 Ca 0.44 1.08 -0.12 0.00 0.36 0.00 0.00 54.97 56.73 1pgr s GLU 95 Cb -0.03 0.12 0.11 0.00 0.26 0.00 0.00 34.13 34.60 1pgr s GLU 95 CO 0.26 -0.16 1.10 -1.54 -0.54 0.00 0.00 175.26 174.38 1pgr s SER 96 N 1.64 3.78 0.50 -1.70 1.04 -0.72 -4.73 113.70 113.51 1pgr s SER 96 Ca -0.09 1.33 -0.21 0.00 0.48 0.00 0.00 55.95 57.45 1pgr s SER 96 Cb -0.07 -2.01 -0.07 0.00 0.10 0.00 0.00 66.02 63.97 1pgr s SER 96 CO -0.17 -2.42 1.14 -2.84 0.98 0.00 0.00 173.24 169.93 1pgr s PRO 97 N -5.06 3.57 0.37 4.02 0.02 -1.26 -4.67 135.00 131.98 1pgr s PRO 97 Ca 0.63 1.68 -0.23 0.00 0.02 0.00 0.00 61.00 63.10 1pgr s PRO 97 Cb -0.16 -2.21 -0.10 0.00 0.02 0.00 0.00 34.50 32.05 1pgr s PRO 97 CO 0.56 -0.69 0.93 0.15 -0.33 0.00 0.00 177.00 177.62 1pgr s LYS 98 N -2.99 4.39 0.16 5.54 1.02 -1.26 -4.65 119.74 121.95 1pgr s LYS 98 Ca 0.68 1.19 0.04 0.00 0.02 0.00 0.00 55.97 57.91 1pgr s LYS 98 Cb -0.26 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1pgr s LYS 98 CO 0.30 0.14 0.18 -0.51 -0.92 0.00 0.00 175.35 174.55 1pgr s LEU 99 N -2.58 3.98 -0.41 3.17 1.02 0.11 -4.87 118.68 119.10 1pgr s LEU 99 Ca 0.55 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.70 1pgr s LEU 99 Cb -0.14 -2.58 0.12 0.00 0.02 0.00 0.00 46.19 43.61 1pgr s LEU 99 CO 0.19 0.07 0.19 0.00 0.02 0.00 0.00 176.35 176.81 1pgr s LEU 101 N 0.56 2.53 -0.26 0.00 0.05 -0.64 -4.84 118.68 116.09 1pgr s LEU 101 Ca 0.15 -0.99 -0.10 0.00 0.05 0.00 0.00 54.13 53.23 1pgr s LEU 101 Cb -0.23 -0.56 -0.05 0.00 -2.05 0.00 0.00 46.19 43.31 1pgr s LEU 101 CO -0.06 -0.21 0.16 -0.62 -0.55 0.00 0.00 176.35 175.07 1pgr s ASP 102 N -3.17 5.94 0.41 1.48 -1.08 -1.26 -0.92 116.67 118.07 1pgr s ASP 102 Ca 0.19 0.02 0.12 0.00 -0.52 0.00 0.00 52.55 52.36 1pgr s ASP 102 Cb -0.00 -2.09 0.96 0.00 -1.46 0.00 0.00 42.92 40.33 1pgr s ASP 102 CO 0.04 0.00 1.96 1.55 0.52 0.00 0.00 175.17 179.25 1pgr h PRO 103 N 7.97 0.48 0.00 4.34 0.13 -1.74 0.20 132.00 143.38 1pgr h PRO 103 Ca -0.37 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1pgr h PRO 103 Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1pgr h PRO 103 CO 0.60 0.32 0.00 -1.33 -0.23 0.00 0.00 178.00 177.36 1pgr n MET 104 N -4.48 0.12 0.11 0.86 2.81 -1.26 -1.64 117.12 113.63 1pgr n MET 104 Ca 0.11 0.21 0.11 0.00 -1.81 0.00 0.00 57.70 56.32 1pgr n MET 104 Cb 0.37 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1pgr n MET 104 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1pgr h ASP 105 N 0.00 0.00 -3.55 7.83 3.32 -0.88 -3.49 116.42 119.65 1pgr h ASP 105 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1pgr h ASP 105 Cb 0.11 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.40 1pgr h ASP 105 CO 0.00 0.03 -0.77 0.68 -1.72 0.00 0.00 179.24 177.46 1pgr s VAL 106 N -3.34 3.04 -0.27 -1.35 -7.23 -0.65 -3.53 120.40 107.07 1pgr s VAL 106 Ca -0.00 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 59.45 1pgr s VAL 106 Cb 0.09 -2.25 0.10 0.00 0.56 0.00 0.00 36.38 34.89 1pgr s VAL 106 CO 0.79 0.55 0.18 -0.75 -0.31 0.00 0.00 175.10 175.55 1pgr s LYS 108 N -0.00 0.21 0.43 4.82 2.20 -1.03 0.19 119.74 126.56 1pgr s LYS 108 Ca -0.04 -0.30 -0.21 0.00 -0.36 0.00 0.00 55.97 55.05 1pgr s LYS 108 Cb -0.14 -1.10 -0.11 0.00 -1.51 0.00 0.00 37.83 34.97 1pgr s LYS 108 CO 0.04 -0.95 0.96 -0.51 -0.36 0.00 0.00 175.35 174.53 1pgr s LEU 109 N 2.20 3.97 0.03 5.43 1.02 -1.26 -4.79 118.68 125.28 1pgr s LEU 109 Ca 0.08 1.73 0.07 0.00 0.02 0.00 0.00 54.13 56.04 1pgr s LEU 109 Cb -0.15 -4.49 -0.03 0.00 0.02 0.00 0.00 46.19 41.54 1pgr s LEU 109 CO -0.30 -0.38 -0.20 -1.61 0.02 0.00 0.00 176.35 173.88 1pgr s GLU 110 N -3.08 2.07 0.70 1.70 2.02 -1.26 -4.31 118.70 116.54 1pgr s GLU 110 Ca 0.61 -0.97 -0.17 0.00 0.02 0.00 0.00 54.97 54.47 1pgr s GLU 110 Cb -0.11 -2.16 -0.06 0.00 0.10 0.00 0.00 34.13 31.91 1pgr s GLU 110 CO 0.15 0.54 0.44 -0.35 0.02 0.00 0.00 175.26 176.06 1pgr n PRO 111 N 1.73 0.30 -1.50 0.39 -0.04 -1.25 -4.54 135.00 130.08 1pgr n PRO 111 Ca -0.16 0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.13 1pgr n PRO 111 Cb 0.52 -1.73 0.10 0.00 -0.04 0.00 0.00 33.50 32.35 1pgr n PRO 111 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1pgr s PRO 112 N -2.53 2.00 -0.79 0.54 0.04 -1.26 -4.40 135.00 128.61 1pgr s PRO 112 Ca 0.64 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 1pgr s PRO 112 Cb -0.37 -1.91 0.11 0.00 0.04 0.00 0.00 34.50 32.38 1pgr s PRO 112 CO 0.59 -1.69 1.01 -1.64 0.04 0.00 0.00 177.00 175.31 1pgr s MET 113 N -5.12 3.36 0.02 4.56 -1.94 0.05 -4.81 119.30 115.43 1pgr s MET 113 Ca 0.61 -1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 53.07 1pgr s MET 113 Cb -0.15 -4.59 -0.06 0.00 2.01 0.00 0.00 34.83 32.05 1pgr s MET 113 CO 0.55 -1.75 0.39 -1.17 -0.01 0.00 0.00 175.02 173.02 1pgr s LEU 114 N 3.11 4.42 0.32 -0.03 2.96 -1.26 -2.22 118.68 125.97 1pgr s LEU 114 Ca 0.26 0.86 -0.16 0.00 -0.22 0.00 0.00 54.13 54.87 1pgr s LEU 114 Cb -0.11 -2.71 0.03 0.00 0.50 0.00 0.00 46.19 43.89 1pgr s LEU 114 CO -0.01 0.27 0.69 0.00 -1.32 0.00 0.00 176.35 175.98 1pgr s GLN 115 N -1.41 1.93 0.19 1.98 -2.07 -0.21 -5.00 119.66 115.08 1pgr s GLN 115 Ca 0.27 -1.27 -0.28 0.00 -1.82 0.00 0.00 55.36 52.26 1pgr s GLN 115 Cb -0.15 0.58 -0.08 0.00 -1.09 0.00 0.00 33.01 32.26 1pgr s GLN 115 CO 0.15 -0.88 0.88 0.00 -1.32 0.00 0.00 175.29 174.12 1pgr s ALA 116 N -3.25 3.37 -0.02 2.60 0.00 -1.26 -1.70 121.76 121.49 1pgr s ALA 116 Ca 0.16 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1pgr s ALA 116 Cb -0.04 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 1pgr s ALA 116 CO 0.10 0.21 1.79 -1.17 0.00 0.00 0.00 175.76 176.69 1pgr s LEU 117 N -1.00 4.35 0.00 0.00 0.20 -1.08 -4.74 118.68 116.42 1pgr s LEU 117 Ca 0.40 2.40 0.00 0.00 0.69 0.00 0.00 54.13 57.62 1pgr s LEU 117 Cb -0.25 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 41.98 1pgr s LEU 117 CO 0.29 -1.00 0.00 0.47 -0.29 0.00 0.00 176.35 175.83 1pgr n ASP 118 N 7.38 0.00 0.00 3.68 8.00 -1.26 -4.93 116.55 129.43 1pgr n ASP 118 Ca 0.19 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1pgr n ASP 118 Cb 0.42 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1pgr n ASP 118 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1pgr n ILE 119 N -2.05 0.00 -4.07 0.53 -5.35 -1.26 -5.21 119.36 101.95 1pgr n ILE 119 Ca 0.00 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.22 1pgr n ILE 119 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 1pgr n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pgr s GLN 127 N 0.00 2.95 0.37 6.28 1.03 -1.26 -5.30 119.66 123.73 1pgr s GLN 127 Ca 0.00 -0.85 -0.27 0.00 0.04 0.00 0.00 55.36 54.28 1pgr s GLN 127 Cb 0.00 -2.68 -0.12 0.00 0.03 0.00 0.00 33.01 30.25 1pgr s GLN 127 CO 0.00 0.49 1.28 -0.35 -2.54 0.00 0.00 175.29 174.16 1pgr n PRO 128 N -0.39 2.05 -2.08 9.60 -0.04 -1.25 -2.32 135.00 140.58 1pgr n PRO 128 Ca -0.08 0.72 -0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1pgr n PRO 128 Cb 0.55 -2.34 -0.01 0.00 -0.04 0.00 0.00 33.50 31.66 1pgr n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pgr n GLY 129 N 0.79 0.12 3.21 0.55 0.00 0.29 -4.78 105.19 105.36 1pgr n GLY 129 Ca 0.05 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 1pgr n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgr s LEU 131 N -1.09 1.68 -0.08 0.00 1.43 0.65 -0.45 118.68 120.81 1pgr s LEU 131 Ca 0.05 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1pgr s LEU 131 Cb -0.08 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1pgr s LEU 131 CO 0.01 0.04 0.06 0.26 0.23 0.00 0.00 176.35 176.95 1pgr s TRP 132 N 0.39 3.33 0.31 0.29 0.52 -1.26 0.11 118.94 122.62 1pgr s TRP 132 Ca -0.06 0.31 0.03 0.00 0.02 0.00 0.00 56.10 56.40 1pgr s TRP 132 Cb -0.11 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 1pgr s TRP 132 CO 0.01 0.57 0.16 -0.51 0.02 0.00 0.00 176.95 177.20 1pgr s LEU 133 N -1.08 1.69 -0.12 2.99 1.43 0.49 -2.63 118.68 121.46 1pgr s LEU 133 Ca 0.15 -1.56 -0.30 0.00 -1.03 0.00 0.00 54.13 51.39 1pgr s LEU 133 Cb -0.12 0.19 0.11 0.00 0.03 0.00 0.00 46.19 46.40 1pgr s LEU 133 CO 0.05 -0.89 0.90 -0.94 0.23 0.00 0.00 176.35 175.70 1pgr s SER 134 N -3.38 -0.45 0.08 2.29 1.04 -0.69 0.09 113.70 112.68 1pgr s SER 134 Ca 0.35 0.48 -0.21 0.00 0.48 0.00 0.00 55.95 57.06 1pgr s SER 134 Cb 0.05 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1pgr s SER 134 CO 0.18 -0.43 0.49 -1.66 0.98 0.00 0.00 173.24 172.80 1pgr s TRP 135 N -1.21 -0.37 0.03 5.02 -2.14 -1.05 -1.04 118.94 118.18 1pgr s TRP 135 Ca -0.04 0.29 0.03 0.00 2.66 0.00 0.00 56.10 59.03 1pgr s TRP 135 Cb -0.00 0.34 -0.02 0.00 -3.10 0.00 0.00 33.47 30.69 1pgr s TRP 135 CO 0.04 -0.68 -0.08 0.15 -2.66 0.00 0.00 176.95 173.71 1pgr s LYS 136 N -2.95 0.57 0.98 3.25 1.02 -0.94 -0.43 119.74 121.24 1pgr s LYS 136 Ca -0.02 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 1pgr s LYS 136 Cb -0.00 -0.43 0.18 0.00 -0.52 0.00 0.00 37.83 37.06 1pgr s LYS 136 CO -0.06 0.09 1.08 -1.25 -0.92 0.00 0.00 175.35 174.30 1pgr s PRO 137 N -1.24 0.56 -0.13 -1.68 0.04 -0.72 -0.77 135.00 131.06 1pgr s PRO 137 Ca -0.06 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 61.51 1pgr s PRO 137 Cb -0.08 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1pgr s PRO 137 CO 0.01 -2.72 1.82 -0.46 0.04 0.00 0.00 177.00 175.69 1pgr s TRP 138 N -2.81 1.71 0.29 0.56 -0.00 -1.26 -4.57 118.94 112.84 1pgr s TRP 138 Ca 0.65 0.23 -0.03 0.00 -0.00 0.00 0.00 56.10 56.95 1pgr s TRP 138 Cb -0.20 -4.03 0.59 0.00 -0.00 0.00 0.00 33.47 29.84 1pgr s TRP 138 CO 0.59 -3.96 1.58 -0.22 -0.00 0.00 0.00 176.95 174.94 1pgr h LYS 139 N 11.29 0.02 0.00 5.86 3.64 -1.95 -0.83 116.57 134.60 1pgr h LYS 139 Ca -0.40 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1pgr h LYS 139 Cb 1.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1pgr h LYS 139 CO 0.97 0.01 0.00 -2.30 -2.27 0.00 0.00 179.45 175.87 1pgr n PRO 140 N -5.50 0.04 -0.12 1.90 -0.02 -1.26 -0.67 135.00 129.36 1pgr n PRO 140 Ca 0.19 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1pgr n PRO 140 Cb 0.62 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.69 1pgr n PRO 140 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1pgr n SER 141 N -1.31 1.87 0.29 2.55 3.41 -0.32 -4.72 113.62 115.39 1pgr n SER 141 Ca 0.01 -2.68 0.17 0.00 -0.26 0.00 0.00 58.87 56.11 1pgr n SER 141 Cb 0.02 -0.31 0.97 0.00 -0.26 0.00 0.00 64.21 64.63 1pgr n SER 141 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1pgr h GLU 142 N 0.00 0.00 0.00 4.33 4.81 -0.85 0.56 114.58 123.43 1pgr h GLU 142 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1pgr h GLU 142 Cb 0.98 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1pgr h GLU 142 CO 0.00 0.00 -0.56 0.10 -0.73 0.00 0.00 179.01 177.82 1pgr h TYR 143 N 0.00 0.00 -3.37 0.92 -0.00 -1.84 -3.44 116.97 109.24 1pgr h TYR 143 Ca 0.01 0.00 -0.54 0.00 -0.00 0.00 0.00 58.73 58.20 1pgr h TYR 143 Cb 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.80 1pgr h TYR 143 CO 0.00 0.56 0.41 1.41 -0.00 0.00 0.00 178.16 180.54 1pgr s MET 144 N -3.38 4.53 -0.42 0.10 0.00 0.19 -5.01 119.30 115.30 1pgr s MET 144 Ca 0.00 1.43 -0.29 0.00 0.00 0.00 0.00 55.69 56.84 1pgr s MET 144 Cb 0.11 -3.47 0.03 0.00 0.00 0.00 0.00 34.83 31.49 1pgr s MET 144 CO 0.74 -0.11 1.11 -2.00 0.00 0.00 0.00 175.02 174.75 1pgr s GLU 145 N 1.19 3.84 0.25 4.11 2.12 -1.26 -4.98 118.70 123.97 1pgr s GLU 145 Ca 0.52 0.72 0.09 0.00 0.36 0.00 0.00 54.97 56.66 1pgr s GLU 145 Cb -0.21 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 1pgr s GLU 145 CO 0.26 -1.21 0.02 -0.65 -0.54 0.00 0.00 175.26 173.15 1pgr s GLN 146 N 4.14 2.38 -0.08 4.30 -0.21 -1.26 0.43 119.66 129.37 1pgr s GLN 146 Ca 0.46 -1.34 0.03 0.00 0.02 0.00 0.00 55.36 54.53 1pgr s GLN 146 Cb -0.09 -2.23 0.01 0.00 1.00 0.00 0.00 33.01 31.70 1pgr s GLN 146 CO 0.26 0.38 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.66 1pgr s GLU 147 N -3.61 2.06 0.45 2.91 2.12 -0.07 -3.46 118.70 119.09 1pgr s GLU 147 Ca 0.31 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 55.17 1pgr s GLU 147 Cb -0.07 -1.66 -0.03 0.00 0.26 0.00 0.00 34.13 32.62 1pgr s GLU 147 CO 0.20 0.04 0.20 0.00 -0.54 0.00 0.00 175.26 175.17 1pgr s GLU 149 N -3.97 0.92 -0.13 0.00 2.02 0.98 -2.24 118.70 116.28 1pgr s GLU 149 Ca 0.36 -0.23 -0.00 0.00 0.02 0.00 0.00 54.97 55.12 1pgr s GLU 149 Cb 0.03 -0.86 -0.01 0.00 0.10 0.00 0.00 34.13 33.38 1pgr s GLU 149 CO 0.20 0.04 -0.13 -1.17 0.02 0.00 0.00 175.26 174.22 1pgr s LEU 150 N 0.46 2.69 0.02 1.80 2.96 -0.53 -1.67 118.68 124.40 1pgr s LEU 150 Ca -0.07 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1pgr s LEU 150 Cb -0.11 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1pgr s LEU 150 CO 0.01 0.16 -0.20 0.00 -1.32 0.00 0.00 176.35 175.00 1pgr s ARG 151 N 0.36 1.45 0.12 1.98 1.70 -0.83 -0.24 118.95 123.49 1pgr s ARG 151 Ca -0.11 -0.83 -0.07 0.00 -0.47 0.00 0.00 55.73 54.25 1pgr s ARG 151 Cb -0.16 -1.49 -0.01 0.00 -0.57 0.00 0.00 34.95 32.72 1pgr s ARG 151 CO 0.06 0.39 0.18 1.52 -1.08 0.00 0.00 175.30 176.37 1pgr s TYR 152 N -0.66 0.39 -0.23 5.89 1.13 -0.79 -1.45 117.35 121.63 1pgr s TYR 152 Ca 0.07 -0.80 -0.27 0.00 -1.41 0.00 0.00 57.07 54.66 1pgr s TYR 152 Cb -0.08 -0.16 0.12 0.00 -1.10 0.00 0.00 41.96 40.75 1pgr s TYR 152 CO 0.01 -0.59 1.02 1.14 -2.51 0.00 0.00 175.55 174.62 1pgr s GLN 153 N -3.93 0.54 0.23 -3.49 -2.07 -0.66 -2.26 119.66 108.02 1pgr s GLN 153 Ca 0.12 0.40 -0.30 0.00 -1.82 0.00 0.00 55.36 53.77 1pgr s GLN 153 Cb 0.05 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 32.14 1pgr s GLN 153 CO -0.05 -0.11 1.28 -1.25 -1.32 0.00 0.00 175.29 173.84 1pgr s PRO 154 N -0.33 4.41 -1.01 9.60 0.04 -1.26 -0.79 135.00 145.66 1pgr s PRO 154 Ca 0.01 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.89 1pgr s PRO 154 Cb -0.03 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 1pgr s PRO 154 CO -0.03 -0.19 1.94 0.94 0.04 0.00 0.00 177.00 179.70 1pgr n GLN 155 N 2.20 1.80 -4.07 4.56 7.27 -0.41 -4.87 117.38 123.86 1pgr n GLN 155 Ca 0.04 -2.24 -0.22 0.00 0.07 0.00 0.00 57.00 54.65 1pgr n GLN 155 Cb 0.43 -3.27 -0.05 0.00 2.41 0.00 0.00 30.24 29.76 1pgr n GLN 155 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1pgr s LEU 156 N 4.77 3.47 0.64 1.69 1.02 -1.26 -4.99 118.68 124.02 1pgr s LEU 156 Ca 0.60 -0.54 0.38 0.00 0.02 0.00 0.00 54.13 54.58 1pgr s LEU 156 Cb 0.09 -2.01 2.11 0.00 0.02 0.00 0.00 46.19 46.40 1pgr s LEU 156 CO 0.10 -0.18 2.27 0.50 0.02 0.00 0.00 176.35 179.06 1pgr h LYS 157 N 1.53 0.00 -4.58 1.70 3.64 -2.02 -3.33 116.57 113.51 1pgr h LYS 157 Ca -0.45 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.21 1pgr h LYS 157 Cb 1.25 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.86 1pgr h LYS 157 CO 0.61 0.00 0.38 0.20 -2.27 0.00 0.00 179.45 178.37 1pgr s GLY 158 N -4.08 2.08 -0.27 5.01 0.00 -1.26 -5.02 107.32 103.79 1pgr s GLY 158 Ca -0.05 -2.74 -0.29 0.00 0.00 0.00 0.00 44.72 41.65 1pgr s GLY 158 CO 0.45 1.65 1.73 0.00 0.00 0.00 0.00 173.10 176.93 1pgr s ALA 159 N 1.98 3.08 -0.22 3.20 0.00 -1.25 -4.95 121.76 123.59 1pgr s ALA 159 Ca 0.21 0.40 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 1pgr s ALA 159 Cb -0.13 -3.93 0.10 0.00 0.00 0.00 0.00 23.12 19.16 1pgr s ALA 159 CO -0.04 -2.28 0.26 1.21 0.00 0.00 0.00 175.76 174.91 1pgr s ASN 160 N 5.21 1.18 0.06 0.00 2.47 -1.26 -5.14 114.94 117.46 1pgr s ASN 160 Ca 0.77 -0.18 -0.24 0.00 0.42 0.00 0.00 52.86 53.62 1pgr s ASN 160 Cb -0.24 0.54 -0.06 0.00 -1.45 0.00 0.00 41.25 40.03 1pgr s ASN 160 CO 0.32 -0.33 0.74 0.26 -3.72 0.00 0.00 177.10 174.37 1pgr s TRP 161 N 2.37 3.77 -0.09 0.43 0.51 -1.26 -4.73 118.94 119.94 1pgr s TRP 161 Ca 0.08 1.46 0.02 0.00 -2.12 0.00 0.00 56.10 55.55 1pgr s TRP 161 Cb -0.16 -2.77 -0.02 0.00 -0.81 0.00 0.00 33.47 29.72 1pgr s TRP 161 CO -0.15 0.35 -0.15 -0.08 -0.51 0.00 0.00 176.95 176.42 1pgr s THR 162 N -0.35 2.98 0.39 2.01 -1.32 -0.96 -4.98 115.64 113.42 1pgr s THR 162 Ca 0.37 -0.72 0.08 0.00 -1.21 0.00 0.00 61.69 60.20 1pgr s THR 162 Cb -0.21 -2.20 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 1pgr s THR 162 CO 0.23 0.56 0.40 -0.76 -2.21 0.00 0.00 174.62 172.83 1pgr s LEU 163 N -0.18 3.52 -0.05 9.08 1.02 -1.26 -1.89 118.68 128.92 1pgr s LEU 163 Ca -0.00 -0.60 0.00 0.00 0.02 0.00 0.00 54.13 53.55 1pgr s LEU 163 Cb -0.13 -2.24 0.03 0.00 0.02 0.00 0.00 46.19 43.86 1pgr s LEU 163 CO 0.03 -0.59 -0.01 -0.69 0.02 0.00 0.00 176.35 175.11 1pgr s VAL 164 N -2.39 0.32 0.31 -1.59 1.01 0.67 -4.97 120.40 113.76 1pgr s VAL 164 Ca 0.47 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.59 1pgr s VAL 164 Cb -0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1pgr s VAL 164 CO 0.29 0.20 0.11 -0.36 0.00 0.00 0.00 175.10 175.33 1pgr s PHE 165 N 1.30 2.74 -1.29 5.22 0.40 -1.26 -1.46 117.98 123.64 1pgr s PHE 165 Ca -0.05 -0.31 -0.07 0.00 -0.60 0.00 0.00 56.93 55.89 1pgr s PHE 165 Cb -0.13 -1.49 -0.00 0.00 0.51 0.00 0.00 43.02 41.90 1pgr s PHE 165 CO -0.02 0.44 0.61 0.72 0.70 0.00 0.00 175.22 177.67 1pgr n HIS 166 N -1.08 -1.80 -3.89 0.36 8.25 -1.19 -4.99 115.22 110.88 1pgr n HIS 166 Ca -0.04 0.66 -0.23 0.00 -0.26 0.00 0.00 57.72 57.85 1pgr n HIS 166 Cb 0.60 -3.79 -0.02 0.00 1.12 0.00 0.00 29.99 27.90 1pgr n HIS 166 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pgr s LEU 167 N -6.71 4.29 0.80 2.41 1.43 -0.95 -4.90 118.68 115.04 1pgr s LEU 167 Ca 0.17 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 1pgr s LEU 167 Cb -0.06 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.30 1pgr s LEU 167 CO 0.86 -0.06 1.10 -2.84 0.23 0.00 0.00 176.35 175.64 1pgr s PRO 168 N -3.81 2.04 0.00 1.29 0.02 -1.26 -0.90 135.00 132.39 1pgr s PRO 168 Ca 0.35 0.58 0.24 0.00 0.02 0.00 0.00 61.00 62.19 1pgr s PRO 168 Cb -0.10 -1.92 1.21 0.00 0.02 0.00 0.00 34.50 33.72 1pgr s PRO 168 CO 0.30 -1.63 1.80 0.45 -0.33 0.00 0.00 177.00 177.58 1pgr n SER 169 N -3.43 0.00 -3.69 2.53 2.88 -1.22 -4.48 113.62 106.21 1pgr n SER 169 Ca 0.07 -0.04 -0.12 0.00 -1.33 0.00 0.00 58.87 57.45 1pgr n SER 169 Cb 0.57 -0.29 -0.09 0.00 -0.75 0.00 0.00 64.21 63.64 1pgr n SER 169 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pgr s SER 170 N -2.59 -0.59 -0.05 -3.46 1.04 -1.26 -1.76 113.70 105.03 1pgr s SER 170 Ca 0.22 1.06 0.02 0.00 0.48 0.00 0.00 55.95 57.73 1pgr s SER 170 Cb 0.16 1.02 0.02 0.00 0.10 0.00 0.00 66.02 67.32 1pgr s SER 170 CO 0.37 -0.19 -0.08 -0.54 0.98 0.00 0.00 173.24 173.78 1pgr s LYS 171 N 0.75 1.21 0.11 4.02 -0.14 0.43 -4.95 119.74 121.17 1pgr s LYS 171 Ca -0.04 -0.24 -0.26 0.00 -1.36 0.00 0.00 55.97 54.07 1pgr s LYS 171 Cb -0.05 -1.08 -0.09 0.00 -1.68 0.00 0.00 37.83 34.93 1pgr s LYS 171 CO -0.06 -0.03 1.65 0.38 -0.76 0.00 0.00 175.35 176.53 1pgr h ASP 172 N 7.08 -0.62 -4.35 2.83 2.03 -1.90 -2.78 116.42 118.71 1pgr h ASP 172 Ca -0.35 0.07 -0.04 0.00 -0.73 0.00 0.00 57.03 55.98 1pgr h ASP 172 Cb 1.17 0.24 -0.20 0.00 -0.83 0.00 0.00 39.33 39.70 1pgr h ASP 172 CO 0.47 -0.31 0.17 0.00 -1.03 0.00 0.00 179.24 178.55 1pgr s GLN 173 N -6.09 0.91 -0.12 4.15 -2.07 -1.26 -4.74 119.66 110.44 1pgr s GLN 173 Ca -0.15 0.71 -0.05 0.00 -1.82 0.00 0.00 55.36 54.04 1pgr s GLN 173 Cb 0.08 0.44 0.06 0.00 -1.09 0.00 0.00 33.01 32.49 1pgr s GLN 173 CO 0.65 -0.18 0.26 0.12 -1.32 0.00 0.00 175.29 174.81 1pgr s PHE 174 N -0.22 -0.39 -0.40 9.60 5.36 0.11 -4.94 117.98 127.10 1pgr s PHE 174 Ca -0.04 0.92 -0.17 0.00 -0.96 0.00 0.00 56.93 56.68 1pgr s PHE 174 Cb -0.03 -0.02 0.01 0.00 -0.34 0.00 0.00 43.02 42.64 1pgr s PHE 174 CO 0.04 -0.32 0.44 -2.00 -1.46 0.00 0.00 175.22 171.92 1pgr s GLU 175 N 2.13 3.26 -0.04 10.12 2.12 -1.26 0.19 118.70 135.22 1pgr s GLU 175 Ca -0.01 -0.60 -0.17 0.00 0.36 0.00 0.00 54.97 54.54 1pgr s GLU 175 Cb -0.12 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 1pgr s GLU 175 CO -0.08 -0.76 0.48 -1.17 -0.54 0.00 0.00 175.26 173.18 1pgr s LEU 176 N 2.17 4.39 0.31 2.70 2.96 0.30 -4.95 118.68 126.55 1pgr s LEU 176 Ca 0.13 0.96 0.05 0.00 -0.22 0.00 0.00 54.13 55.04 1pgr s LEU 176 Cb -0.17 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 1pgr s LEU 176 CO 0.13 0.16 0.21 0.00 -1.32 0.00 0.00 176.35 175.54 1pgr n GLY 178 N -0.57 0.65 3.52 0.00 0.00 -0.37 -4.97 105.19 103.46 1pgr n GLY 178 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1pgr n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgr s LEU 179 N 0.00 4.39 -0.24 0.99 1.43 0.40 -4.82 118.68 120.84 1pgr s LEU 179 Ca 0.00 -2.60 -0.03 0.00 -1.03 0.00 0.00 54.13 50.46 1pgr s LEU 179 Cb 0.00 -2.49 0.10 0.00 0.03 0.00 0.00 46.19 43.82 1pgr s LEU 179 CO 0.00 -1.00 0.18 -1.38 0.23 0.00 0.00 176.35 174.38 1pgr s HIS 180 N 3.07 -0.03 0.00 0.29 -3.43 -1.26 -3.93 115.29 109.99 1pgr s HIS 180 Ca 0.48 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.42 1pgr s HIS 180 Cb 0.00 -0.62 0.00 0.00 -1.43 0.00 0.00 32.58 30.54 1pgr s HIS 180 CO 0.03 -0.72 0.00 0.94 -2.00 0.00 0.00 174.74 172.99 1pgr n GLN 181 N 5.29 0.00 0.00 -0.38 7.27 -1.26 -5.11 117.38 123.19 1pgr n GLN 181 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1pgr n GLN 181 Cb 0.46 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.11 1pgr n GLN 181 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pgr n ALA 182 N 0.00 0.00 0.10 1.69 0.00 -1.26 -4.94 120.51 116.10 1pgr n ALA 182 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1pgr n ALA 182 Cb 0.03 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.51 1pgr n ALA 182 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pgr h PRO 183 N 0.00 0.00 -5.64 0.00 0.13 -1.95 -3.45 132.00 121.08 1pgr h PRO 183 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1pgr h PRO 183 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 1pgr h PRO 183 CO 0.00 0.78 -0.82 0.08 -0.23 0.00 0.00 178.00 177.81 1pgr s VAL 184 N -3.13 1.35 0.11 1.56 1.01 -1.26 -3.34 120.40 116.70 1pgr s VAL 184 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.08 1pgr s VAL 184 Cb 0.11 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1pgr s VAL 184 CO 0.78 0.17 -0.21 -0.31 0.00 0.00 0.00 175.10 175.54 1pgr s TYR 185 N -0.70 1.82 0.02 5.22 1.51 0.17 -1.28 117.35 124.10 1pgr s TYR 185 Ca 0.05 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1pgr s TYR 185 Cb -0.08 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1pgr s TYR 185 CO 0.01 0.23 0.06 0.99 -1.11 0.00 0.00 175.55 175.73 1pgr s THR 186 N -1.32 4.51 0.01 -0.71 2.01 0.03 0.40 115.64 120.57 1pgr s THR 186 Ca 0.08 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1pgr s THR 186 Cb -0.09 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 1pgr s THR 186 CO 0.05 0.30 0.00 -0.76 -0.69 0.00 0.00 174.62 173.53 1pgr s LEU 187 N -1.84 2.05 0.08 4.42 1.02 -0.91 -1.65 118.68 121.86 1pgr s LEU 187 Ca 0.23 -0.26 -0.06 0.00 0.02 0.00 0.00 54.13 54.06 1pgr s LEU 187 Cb -0.12 0.14 -0.01 0.00 0.02 0.00 0.00 46.19 46.22 1pgr s LEU 187 CO 0.15 -0.19 0.13 -1.10 0.02 0.00 0.00 176.35 175.36 1pgr s GLN 188 N -0.86 0.79 0.04 1.70 -0.21 -0.53 -1.25 119.66 119.34 1pgr s GLN 188 Ca -0.09 -1.05 -0.08 0.00 0.02 0.00 0.00 55.36 54.15 1pgr s GLN 188 Cb -0.06 0.31 -0.00 0.00 1.00 0.00 0.00 33.01 34.26 1pgr s GLN 188 CO -0.00 -0.23 0.16 1.41 -2.12 0.00 0.00 175.29 174.51 1pgr s MET 189 N -3.89 0.65 0.01 2.91 1.75 -1.26 -1.97 119.30 117.50 1pgr s MET 189 Ca 0.06 -0.65 -0.19 0.00 -1.25 0.00 0.00 55.69 53.66 1pgr s MET 189 Cb 0.06 0.27 0.04 0.00 2.84 0.00 0.00 34.83 38.03 1pgr s MET 189 CO -0.10 -0.18 0.41 -0.98 -0.65 0.00 0.00 175.02 173.52 1pgr s ARG 190 N -2.52 0.85 0.27 4.11 1.70 -0.67 0.05 118.95 122.73 1pgr s ARG 190 Ca -0.05 -0.21 0.03 0.00 -0.47 0.00 0.00 55.73 55.03 1pgr s ARG 190 Cb -0.01 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 1pgr s ARG 190 CO -0.04 -0.27 0.04 0.00 -1.08 0.00 0.00 175.30 173.95 1pgr s ILE 192 N -3.43 0.04 0.19 0.00 2.07 -0.37 -0.47 121.20 119.23 1pgr s ILE 192 Ca 0.33 -0.32 -0.33 0.00 -1.41 0.00 0.00 60.65 58.92 1pgr s ILE 192 Cb 0.07 -0.74 -0.14 0.00 0.13 0.00 0.00 42.46 41.78 1pgr s ILE 192 CO 0.12 -0.18 1.45 -1.14 -1.91 0.00 0.00 174.94 173.28 1pgr n ARG 193 N 1.16 1.93 0.00 3.50 0.63 -1.26 -0.90 116.66 121.72 1pgr n ARG 193 Ca -0.21 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1pgr n ARG 193 Cb 0.56 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.09 1pgr n ARG 193 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1pgr n SER 194 N 2.66 0.00 -1.38 6.15 2.88 0.17 -4.25 113.62 119.85 1pgr n SER 194 Ca 0.15 0.99 0.02 0.00 -1.33 0.00 0.00 58.87 58.70 1pgr n SER 194 Cb 0.29 -0.49 0.08 0.00 -0.75 0.00 0.00 64.21 63.34 1pgr n SER 194 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pgr n SER 195 N -2.55 1.54 -4.22 -3.46 7.64 -1.26 -4.90 113.62 106.42 1pgr n SER 195 Ca 0.00 -2.73 -0.12 0.00 1.01 0.00 0.00 58.87 57.02 1pgr n SER 195 Cb 0.00 -0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 62.70 1pgr n SER 195 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pgr s LEU 196 N -1.67 2.03 0.44 -3.43 1.43 -1.26 -5.13 118.68 111.10 1pgr s LEU 196 Ca 0.36 -1.18 -0.24 0.00 -1.03 0.00 0.00 54.13 52.04 1pgr s LEU 196 Cb 0.38 0.04 -0.10 0.00 0.03 0.00 0.00 46.19 46.54 1pgr s LEU 196 CO -0.11 -0.61 0.99 -2.65 0.23 0.00 0.00 176.35 174.19 1pgr n PRO 197 N -0.20 1.28 0.00 1.29 -0.02 -1.26 -4.75 135.00 131.34 1pgr n PRO 197 Ca -0.06 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1pgr n PRO 197 Cb 0.63 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1pgr n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pgr n GLY 198 N 1.22 3.06 3.95 -1.23 0.00 -1.23 -4.70 105.19 106.26 1pgr n GLY 198 Ca 0.10 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1pgr n GLY 198 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgr s PHE 199 N -2.00 3.47 0.60 1.61 0.08 -1.26 -4.79 117.98 115.69 1pgr s PHE 199 Ca 0.00 0.13 -0.19 0.00 0.12 0.00 0.00 56.93 57.00 1pgr s PHE 199 Cb 0.00 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1pgr s PHE 199 CO 0.00 0.41 1.23 -1.58 -0.10 0.00 0.00 175.22 175.18 1pgr s TRP 200 N -1.93 2.33 0.76 0.36 0.52 -1.26 -4.63 118.94 115.10 1pgr s TRP 200 Ca 0.36 1.50 -0.11 0.00 0.02 0.00 0.00 56.10 57.87 1pgr s TRP 200 Cb -0.10 -3.53 0.05 0.00 -1.15 0.00 0.00 33.47 28.74 1pgr s TRP 200 CO 0.30 -2.37 1.14 -1.54 0.02 0.00 0.00 176.95 174.49 1pgr s SER 201 N -1.53 4.90 0.74 2.95 1.04 0.38 -4.85 113.70 117.33 1pgr s SER 201 Ca 0.78 0.90 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 1pgr s SER 201 Cb -0.32 -1.53 0.04 0.00 0.10 0.00 0.00 66.02 64.31 1pgr s SER 201 CO 0.35 -1.66 1.08 -2.84 0.98 0.00 0.00 173.24 171.14 1pgr s PRO 202 N -5.47 2.54 0.44 4.02 0.02 -1.26 -4.60 135.00 130.69 1pgr s PRO 202 Ca 0.60 0.93 -0.24 0.00 0.02 0.00 0.00 61.00 62.32 1pgr s PRO 202 Cb -0.11 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 1pgr s PRO 202 CO 0.50 -1.38 1.18 -1.58 -0.33 0.00 0.00 177.00 175.39 1pgr s TRP 203 N -3.03 2.92 0.66 6.54 0.52 -1.26 -3.85 118.94 121.43 1pgr s TRP 203 Ca 0.59 1.53 -0.15 0.00 0.02 0.00 0.00 56.10 58.09 1pgr s TRP 203 Cb -0.15 -3.41 0.00 0.00 -1.15 0.00 0.00 33.47 28.76 1pgr s TRP 203 CO 0.55 -1.52 1.12 -1.54 0.02 0.00 0.00 176.95 175.58 1pgr s SER 204 N -1.24 5.03 0.41 2.95 1.04 0.11 -4.88 113.70 117.12 1pgr s SER 204 Ca 0.61 2.05 -0.25 0.00 0.48 0.00 0.00 55.95 58.85 1pgr s SER 204 Cb -0.30 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.16 1pgr s SER 204 CO 0.37 -1.68 1.13 -2.65 0.98 0.00 0.00 173.24 171.38 1pgr n PRO 205 N -2.39 1.61 -1.52 4.02 -0.02 -1.26 -4.33 135.00 131.12 1pgr n PRO 205 Ca 0.11 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 1pgr n PRO 205 Cb 0.52 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1pgr n PRO 205 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pgr n GLY 206 N 1.02 -1.02 2.67 -1.23 0.00 -1.26 -4.71 105.19 100.66 1pgr n GLY 206 Ca 0.08 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1pgr n GLY 206 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pgr s LEU 207 N 0.58 2.09 0.09 0.99 2.96 -0.38 -4.90 118.68 120.11 1pgr s LEU 207 Ca 0.65 -2.03 -0.31 0.00 -0.22 0.00 0.00 54.13 52.22 1pgr s LEU 207 Cb -0.55 -0.82 -0.08 0.00 0.50 0.00 0.00 46.19 45.25 1pgr s LEU 207 CO 0.56 -0.35 1.48 -1.10 -1.32 0.00 0.00 176.35 175.62 1pgr s GLN 208 N 1.14 4.27 0.01 1.98 1.11 -1.26 -2.14 119.66 124.77 1pgr s GLN 208 Ca 0.14 2.15 -0.01 0.00 0.01 0.00 0.00 55.36 57.65 1pgr s GLN 208 Cb -0.21 -3.37 -0.01 0.00 -1.01 0.00 0.00 33.01 28.41 1pgr s GLN 208 CO -0.13 -0.56 0.00 -0.51 0.01 0.00 0.00 175.29 174.10 1pgr s LEU 209 N 1.70 2.08 -0.42 2.90 1.43 0.16 -4.95 118.68 121.58 1pgr s LEU 209 Ca 0.67 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.35 1pgr s LEU 209 Cb -0.37 0.13 0.05 0.00 0.03 0.00 0.00 46.19 46.03 1pgr s LEU 209 CO 0.30 -0.20 0.30 -0.13 0.23 0.00 0.00 176.35 176.85 1pgr s ARG 210 N -0.94 2.87 0.30 1.70 0.52 -1.26 0.41 118.95 122.55 1pgr s ARG 210 Ca -0.10 -1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 53.59 1pgr s ARG 210 Cb -0.06 -3.93 -0.12 0.00 0.52 0.00 0.00 34.95 31.36 1pgr s ARG 210 CO -0.00 -0.86 1.53 -0.35 0.02 0.00 0.00 175.30 175.64 1pgr n PRO 211 N 5.09 2.55 -1.26 3.54 -0.04 -1.21 -4.67 135.00 139.00 1pgr n PRO 211 Ca -0.11 0.91 -0.36 0.00 -0.04 0.00 0.00 63.50 63.89 1pgr n PRO 211 Cb 0.45 -2.65 -0.13 0.00 -0.04 0.00 0.00 33.50 31.14 1pgr n PRO 211 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1pgr n THR 212 N 1.75 0.00 0.83 0.52 -1.04 0.41 -4.55 114.28 112.19 1pgr n THR 212 Ca 0.08 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.19 1pgr n THR 212 Cb 0.36 -0.42 0.08 0.00 -1.82 0.00 0.00 70.33 68.53 1pgr n THR 212 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66