#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyp n TYR 2 N 0.00 0.00 -2.71 -1.42 4.02 -1.22 -2.74 117.16 113.10 1pyp n TYR 2 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 1pyp n TYR 2 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1pyp n TYR 2 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1pyp s THR 3 N -0.85 3.50 0.18 -0.72 -1.32 0.07 -4.56 115.64 111.94 1pyp s THR 3 Ca 0.00 -0.39 0.01 0.00 -1.21 0.00 0.00 61.69 60.09 1pyp s THR 3 Cb 0.00 -3.33 -0.04 0.00 -1.51 0.00 0.00 72.50 67.61 1pyp s THR 3 CO 0.00 -0.27 0.05 0.42 -2.21 0.00 0.00 174.62 172.61 1pyp s THR 4 N -2.76 0.42 -0.13 5.08 -4.23 -1.26 0.68 115.64 113.44 1pyp s THR 4 Ca 0.53 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 1pyp s THR 4 Cb -0.10 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 1pyp s THR 4 CO 0.40 -0.34 0.03 -0.13 -0.54 0.00 0.00 174.62 174.04 1pyp s ARG 5 N -4.00 3.47 -0.36 3.99 0.52 1.29 -4.73 118.95 119.14 1pyp s ARG 5 Ca 0.28 -0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.96 1pyp s ARG 5 Cb 0.07 -2.99 -0.00 0.00 0.52 0.00 0.00 34.95 32.54 1pyp s ARG 5 CO 0.06 0.49 0.38 -1.14 0.02 0.00 0.00 175.30 175.11 1pyp s GLN 6 N -0.28 3.46 -1.36 3.54 0.74 -1.26 -1.55 119.66 122.95 1pyp s GLN 6 Ca 0.07 -0.49 -0.12 0.00 0.05 0.00 0.00 55.36 54.87 1pyp s GLN 6 Cb -0.12 -3.84 0.11 0.00 1.10 0.00 0.00 33.01 30.26 1pyp s GLN 6 CO 0.02 -0.59 2.02 -0.89 -0.55 0.00 0.00 175.29 175.29 1pyp n ILE 7 N 5.28 3.96 0.00 -2.34 2.08 -0.71 0.17 119.36 127.80 1pyp n ILE 7 Ca -0.09 -3.81 0.00 0.00 0.56 0.00 0.00 62.75 59.41 1pyp n ILE 7 Cb 0.49 -2.47 0.00 0.00 -0.75 0.00 0.00 39.64 36.91 1pyp n ILE 7 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pyp n GLY 8 N 3.41 0.00 0.00 7.39 0.00 0.14 -2.66 105.19 113.47 1pyp n GLY 8 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1pyp n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyp n ALA 9 N 0.00 0.00 0.00 4.61 0.00 -1.26 -3.19 120.51 120.68 1pyp n ALA 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pyp n ALA 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pyp n ALA 9 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pyp n LYS 10 N 0.00 0.00 0.01 0.00 4.76 -1.26 -1.01 118.16 120.67 1pyp n LYS 10 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pyp n LYS 10 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1pyp n LYS 10 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1pyp n ASN 11 N 0.00 -0.26 0.00 4.39 3.02 -1.26 -4.74 115.26 116.40 1pyp n ASN 11 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1pyp n ASN 11 Cb 0.00 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1pyp n ASN 11 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pyp n THR 12 N -2.28 0.00 0.00 3.41 -2.24 -1.26 -4.47 114.28 107.43 1pyp n THR 12 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pyp n THR 12 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1pyp n THR 12 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pyp n LEU 13 N -0.77 0.00 0.00 3.22 4.77 -1.26 -4.87 117.00 118.09 1pyp n LEU 13 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1pyp n LEU 13 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1pyp n LEU 13 CO 0.00 0.00 0.05 -0.62 -1.33 0.00 0.00 177.39 175.49 1pyp n GLU 14 N 0.00 5.21 -1.68 3.23 -0.58 -1.26 -4.95 120.64 120.60 1pyp n GLU 14 Ca 0.00 -0.11 -0.23 0.00 -0.42 0.00 0.00 57.16 56.40 1pyp n GLU 14 Cb 0.00 -0.61 -0.05 0.00 -0.57 0.00 0.00 31.44 30.21 1pyp n GLU 14 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1pyp s TYR 15 N -0.77 1.26 -0.39 -0.32 5.04 -1.19 -4.82 117.35 116.16 1pyp s TYR 15 Ca 0.00 1.59 -0.15 0.00 -2.44 0.00 0.00 57.07 56.07 1pyp s TYR 15 Cb 0.00 -3.61 0.01 0.00 0.35 0.00 0.00 41.96 38.70 1pyp s TYR 15 CO 0.00 -1.89 0.31 0.21 -1.34 0.00 0.00 175.55 172.84 1pyp s LYS 16 N 8.31 3.18 -0.07 4.97 2.20 -1.09 -4.77 119.74 132.47 1pyp s LYS 16 Ca 0.88 -0.83 -0.24 0.00 -0.36 0.00 0.00 55.97 55.42 1pyp s LYS 16 Cb -0.13 -3.92 -0.03 0.00 -1.51 0.00 0.00 37.83 32.24 1pyp s LYS 16 CO 0.12 -0.66 0.72 0.08 -0.36 0.00 0.00 175.35 175.25 1pyp s VAL 17 N 1.78 5.03 -0.22 4.02 1.01 -1.26 -1.74 120.40 129.01 1pyp s VAL 17 Ca 0.07 1.48 -0.04 0.00 0.00 0.00 0.00 61.98 63.49 1pyp s VAL 17 Cb -0.18 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.22 1pyp s VAL 17 CO 0.11 0.23 0.09 -0.31 0.00 0.00 0.00 175.10 175.22 1pyp s TYR 18 N 0.92 0.57 0.30 5.22 2.02 -0.60 -4.47 117.35 121.30 1pyp s TYR 18 Ca 0.38 -0.74 -0.28 0.00 -0.37 0.00 0.00 57.07 56.06 1pyp s TYR 18 Cb -0.18 -0.93 -0.09 0.00 -0.40 0.00 0.00 41.96 40.36 1pyp s TYR 18 CO 0.18 -0.66 1.04 -1.50 -1.57 0.00 0.00 175.55 173.04 1pyp s ILE 19 N 2.01 3.74 -0.03 2.71 -1.16 -1.26 0.40 121.20 127.60 1pyp s ILE 19 Ca 0.04 1.64 0.04 0.00 -0.51 0.00 0.00 60.65 61.85 1pyp s ILE 19 Cb -0.16 -4.00 -0.03 0.00 0.61 0.00 0.00 42.46 38.88 1pyp s ILE 19 CO -0.18 0.31 -0.12 -1.61 -2.81 0.00 0.00 174.94 170.53 1pyp s GLU 20 N -1.63 2.49 -0.25 3.50 2.02 3.18 -2.62 118.70 125.39 1pyp s GLU 20 Ca 0.47 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.69 1pyp s GLU 20 Cb -0.27 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 1pyp s GLU 20 CO 0.35 0.62 0.02 0.21 0.02 0.00 0.00 175.26 176.48 1pyp s LYS 21 N -0.98 3.33 4.81 1.61 2.20 0.13 -0.75 119.74 130.09 1pyp s LYS 21 Ca 0.13 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1pyp s LYS 21 Cb -0.11 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1pyp s LYS 21 CO 0.03 -0.28 0.00 -3.47 -0.36 0.00 0.00 175.35 171.26 1pyp n ASP 22 N 4.85 0.00 -4.13 1.43 4.64 -1.11 -2.98 116.55 119.26 1pyp n ASP 22 Ca -0.16 0.00 -0.37 0.00 -1.38 0.00 0.00 54.79 52.88 1pyp n ASP 22 Cb 0.50 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.52 1pyp n ASP 22 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1pyp s GLY 23 N 0.00 3.06 0.00 0.27 0.00 -1.26 -4.84 107.32 104.56 1pyp s GLY 23 Ca 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 44.72 40.90 1pyp s GLY 23 CO 0.00 1.20 0.00 0.28 0.00 0.00 0.00 173.10 174.58 1pyp n LYS 24 N 2.41 0.00 0.00 2.90 5.02 -1.16 -5.13 118.16 122.20 1pyp n LYS 24 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1pyp n LYS 24 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1pyp n LYS 24 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1pyp n PRO 25 N -1.89 -0.92 0.00 1.97 -0.04 -1.26 0.17 135.00 133.04 1pyp n PRO 25 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pyp n PRO 25 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1pyp n PRO 25 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1pyp n VAL 26 N -2.46 0.00 -3.20 0.52 3.14 -1.08 -2.98 118.33 112.28 1pyp n VAL 26 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 1pyp n VAL 26 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1pyp n VAL 26 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1pyp s SER 27 N 1.82 -0.54 0.46 6.55 0.15 -1.26 -4.81 113.70 116.08 1pyp s SER 27 Ca 0.00 0.42 -0.21 0.00 0.70 0.00 0.00 55.95 56.86 1pyp s SER 27 Cb 0.00 1.49 -0.09 0.00 -1.71 0.00 0.00 66.02 65.70 1pyp s SER 27 CO 0.00 -0.10 1.00 0.00 1.20 0.00 0.00 173.24 175.34 1pyp s ALA 28 N 2.81 2.94 0.00 5.45 0.00 -0.69 0.34 121.76 132.61 1pyp s ALA 28 Ca 0.01 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1pyp s ALA 28 Cb -0.09 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1pyp s ALA 28 CO -0.13 -0.14 0.00 0.34 0.00 0.00 0.00 175.76 175.83 1pyp n PHE 29 N -0.84 0.00 0.05 0.00 7.35 -1.26 -4.51 117.46 118.26 1pyp n PHE 29 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1pyp n PHE 29 Cb 0.53 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1pyp n PHE 29 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1pyp n HIS 30 N -1.95 -0.56 0.48 -5.13 8.25 -1.17 -2.21 115.22 112.93 1pyp n HIS 30 Ca 0.00 0.10 -0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1pyp n HIS 30 Cb 0.00 0.19 0.04 0.00 1.12 0.00 0.00 29.99 31.34 1pyp n HIS 30 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1pyp n ASP 31 N -3.13 3.20 -3.56 0.41 8.00 1.06 -4.55 116.55 117.98 1pyp n ASP 31 Ca 0.00 -2.37 -0.29 0.00 0.71 0.00 0.00 54.79 52.84 1pyp n ASP 31 Cb 0.00 -0.58 -0.14 0.00 -0.02 0.00 0.00 41.12 40.38 1pyp n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pyp s ILE 32 N -0.75 0.23 0.00 0.53 -1.09 -1.08 -4.51 121.20 114.53 1pyp s ILE 32 Ca 0.13 -1.22 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 1pyp s ILE 32 Cb 0.11 -1.19 0.00 0.00 -1.58 0.00 0.00 42.46 39.80 1pyp s ILE 32 CO 0.02 -0.80 0.00 -0.81 -1.23 0.00 0.00 174.94 172.12 1pyp n PRO 33 N 4.76 2.88 0.01 2.79 -0.04 -1.26 -3.85 135.00 140.29 1pyp n PRO 33 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pyp n PRO 33 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1pyp n PRO 33 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pyp n LEU 34 N 0.00 -0.10 -2.11 1.53 4.77 -1.26 -4.56 117.00 115.27 1pyp n LEU 34 Ca 0.00 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1pyp n LEU 34 Cb 0.00 0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1pyp n LEU 34 CO 0.00 -0.12 0.23 0.00 -1.33 0.00 0.00 177.39 176.17 1pyp n TYR 35 N -1.89 0.00 -4.58 -1.77 -0.00 -1.26 -2.67 117.16 104.99 1pyp n TYR 35 Ca 0.00 -0.09 -0.34 0.00 -0.00 0.00 0.00 57.90 57.47 1pyp n TYR 35 Cb 0.00 -0.33 -0.12 0.00 -0.00 0.00 0.00 39.34 38.88 1pyp n TYR 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pyp s ALA 36 N 2.13 2.92 0.00 -3.48 0.00 -1.25 -4.41 121.76 117.68 1pyp s ALA 36 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1pyp s ALA 36 Cb 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1pyp s ALA 36 CO 0.00 0.40 0.00 -0.25 0.00 0.00 0.00 175.76 175.91 1pyp n ASP 37 N 2.88 0.00 -2.49 0.00 8.00 -1.26 -3.77 116.55 119.91 1pyp n ASP 37 Ca -0.18 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.26 1pyp n ASP 37 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1pyp n ASP 37 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pyp n LYS 38 N 0.00 -1.14 -0.07 -1.24 4.81 -1.26 -3.05 118.16 116.21 1pyp n LYS 38 Ca 0.00 0.69 0.06 0.00 -0.87 0.00 0.00 58.31 58.19 1pyp n LYS 38 Cb 0.00 -4.03 0.09 0.00 0.02 0.00 0.00 35.03 31.12 1pyp n LYS 38 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1pyp n GLU 39 N -2.17 -0.00 -1.13 1.64 1.02 -1.26 0.83 120.64 119.56 1pyp n GLU 39 Ca -0.03 0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 57.02 1pyp n GLU 39 Cb 0.55 -0.31 0.14 0.00 -0.02 0.00 0.00 31.44 31.80 1pyp n GLU 39 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1pyp n ASP 40 N -2.55 4.41 0.00 1.62 3.85 -1.26 -4.66 116.55 117.96 1pyp n ASP 40 Ca 0.05 -3.49 0.00 0.00 -0.71 0.00 0.00 54.79 50.64 1pyp n ASP 40 Cb 0.22 -0.84 0.00 0.00 -1.35 0.00 0.00 41.12 39.15 1pyp n ASP 40 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1pyp n ASN 41 N -0.93 0.00 0.00 -1.12 4.05 4.67 -5.18 115.26 116.75 1pyp n ASN 41 Ca 0.55 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.58 1pyp n ASN 41 Cb 1.39 0.00 0.00 0.00 1.23 0.00 0.00 39.78 42.40 1pyp n ASN 41 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1pyp n ILE 42 N 0.00 0.00 -3.82 -1.44 -0.00 -1.17 -4.81 119.36 108.12 1pyp n ILE 42 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.69 1pyp n ILE 42 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1pyp n ILE 42 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 1pyp s PHE 43 N 0.91 -0.06 0.50 4.28 -0.71 -1.18 -3.95 117.98 117.78 1pyp s PHE 43 Ca 0.00 -0.41 -0.01 0.00 -1.04 0.00 0.00 56.93 55.47 1pyp s PHE 43 Cb 0.00 0.72 0.01 0.00 -1.21 0.00 0.00 43.02 42.54 1pyp s PHE 43 CO 0.00 -1.17 0.75 -0.80 -1.34 0.00 0.00 175.22 172.66 1pyp s ASN 44 N -3.03 5.67 0.19 1.98 0.01 -1.09 -3.19 114.94 115.48 1pyp s ASN 44 Ca 0.14 0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 52.51 1pyp s ASN 44 Cb -0.04 -1.47 0.01 0.00 0.41 0.00 0.00 41.25 40.15 1pyp s ASN 44 CO 0.07 -0.87 0.42 0.00 -1.51 0.00 0.00 177.10 175.20 1pyp s MET 45 N -4.71 1.33 0.23 -0.60 0.23 -0.99 -4.72 119.30 110.08 1pyp s MET 45 Ca 0.51 -1.07 0.09 0.00 -1.03 0.00 0.00 55.69 54.19 1pyp s MET 45 Cb -0.10 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1pyp s MET 45 CO 0.40 -0.53 -0.04 0.14 -2.03 0.00 0.00 175.02 172.96 1pyp s VAL 46 N -3.94 3.36 0.10 5.16 -7.23 -1.26 -3.10 120.40 113.49 1pyp s VAL 46 Ca 0.15 -1.81 0.09 0.00 -1.81 0.00 0.00 61.98 58.60 1pyp s VAL 46 Cb 0.01 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1pyp s VAL 46 CO 0.01 -0.27 -0.23 0.68 -0.31 0.00 0.00 175.10 174.98 1pyp s VAL 47 N -2.09 1.88 -0.32 1.32 -7.23 -1.24 -3.39 120.40 109.33 1pyp s VAL 47 Ca 0.29 -1.54 0.10 0.00 -1.81 0.00 0.00 61.98 59.02 1pyp s VAL 47 Cb -0.07 -1.68 0.35 0.00 0.56 0.00 0.00 36.38 35.53 1pyp s VAL 47 CO 0.18 0.05 1.37 -1.84 -0.31 0.00 0.00 175.10 174.55 1pyp n GLU 48 N 1.20 1.12 0.00 4.82 -0.00 -1.22 0.25 120.64 126.81 1pyp n GLU 48 Ca -0.19 -1.25 0.00 0.00 -0.00 0.00 0.00 57.16 55.73 1pyp n GLU 48 Cb 0.53 0.23 0.00 0.00 -0.00 0.00 0.00 31.44 32.20 1pyp n GLU 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1pyp n ILE 49 N -1.07 0.00 -0.96 3.84 5.41 -1.24 -3.69 119.36 121.65 1pyp n ILE 49 Ca -0.13 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.29 1pyp n ILE 49 Cb 0.82 0.00 0.13 0.00 -0.71 0.00 0.00 39.64 39.88 1pyp n ILE 49 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1pyp n PRO 50 N 0.00 -0.05 -0.73 0.38 -0.04 -1.25 -3.46 135.00 129.85 1pyp n PRO 50 Ca 0.00 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.20 1pyp n PRO 50 Cb 0.00 -2.24 0.16 0.00 -0.04 0.00 0.00 33.50 31.38 1pyp n PRO 50 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1pyp n ARG 51 N -2.90 -0.39 -3.62 0.54 0.63 -1.23 -3.66 116.66 106.03 1pyp n ARG 51 Ca 0.11 -0.05 -0.23 0.00 -0.92 0.00 0.00 57.85 56.77 1pyp n ARG 51 Cb 0.51 -2.29 0.01 0.00 0.45 0.00 0.00 32.46 31.15 1pyp n ARG 51 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1pyp n TRP 52 N -4.07 -2.16 -3.68 -0.14 8.01 24.26 -4.73 117.44 134.93 1pyp n TRP 52 Ca 0.11 0.73 -0.10 0.00 -1.31 0.00 0.00 57.50 56.93 1pyp n TRP 52 Cb 0.52 -3.27 -0.11 0.00 -2.01 0.00 0.00 31.31 26.44 1pyp n TRP 52 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1pyp s THR 53 N -3.17 -0.35 -1.80 -0.99 2.01 -0.69 -4.43 115.64 106.21 1pyp s THR 53 Ca 0.18 0.15 0.29 0.00 0.31 0.00 0.00 61.69 62.62 1pyp s THR 53 Cb -0.07 -0.60 0.51 0.00 0.01 0.00 0.00 72.50 72.34 1pyp s THR 53 CO 0.86 0.06 1.87 0.59 -0.69 0.00 0.00 174.62 177.31 1pyp n ASN 54 N 4.90 0.58 -4.85 3.53 3.02 -1.26 -0.53 115.26 120.64 1pyp n ASN 54 Ca -0.15 -0.76 -0.32 0.00 -0.03 0.00 0.00 54.58 53.33 1pyp n ASN 54 Cb 0.52 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 1pyp n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pyp s ALA 55 N -2.36 3.34 -0.16 5.41 0.00 -1.26 0.75 121.76 127.46 1pyp s ALA 55 Ca 0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 1pyp s ALA 55 Cb 0.20 -2.74 0.06 0.00 0.00 0.00 0.00 23.12 20.64 1pyp s ALA 55 CO 0.45 0.28 0.09 0.21 0.00 0.00 0.00 175.76 176.78 1pyp s LYS 56 N -3.14 0.05 -0.02 0.00 2.36 -1.22 -4.77 119.74 113.01 1pyp s LYS 56 Ca 0.53 -0.06 0.07 0.00 -2.55 0.00 0.00 55.97 53.97 1pyp s LYS 56 Cb -0.10 -1.76 -0.02 0.00 -1.05 0.00 0.00 37.83 34.89 1pyp s LYS 56 CO 0.20 -0.65 -0.23 -0.51 1.55 0.00 0.00 175.35 175.71 1pyp s LEU 57 N 2.14 2.23 0.00 5.43 2.01 0.60 -3.22 118.68 127.87 1pyp s LEU 57 Ca 0.02 -0.43 0.00 0.00 0.01 0.00 0.00 54.13 53.74 1pyp s LEU 57 Cb -0.16 -1.39 0.00 0.00 0.01 0.00 0.00 46.19 44.65 1pyp s LEU 57 CO -0.09 0.31 0.00 -0.62 1.01 0.00 0.00 176.35 176.97 1pyp n GLU 58 N 2.29 3.23 -3.17 1.70 -0.58 -0.59 -4.21 120.64 119.31 1pyp n GLU 58 Ca -0.16 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.60 1pyp n GLU 58 Cb 0.51 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.37 1pyp n GLU 58 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1pyp s ILE 59 N 0.23 -0.95 -0.30 -3.67 -4.36 -1.06 0.41 121.20 111.50 1pyp s ILE 59 Ca 0.00 -0.03 -0.25 0.00 -0.26 0.00 0.00 60.65 60.10 1pyp s ILE 59 Cb 0.00 -0.99 0.20 0.00 1.25 0.00 0.00 42.46 42.91 1pyp s ILE 59 CO 0.00 -0.03 1.46 0.28 0.24 0.00 0.00 174.94 176.89 1pyp s THR 60 N 2.80 0.00 -0.26 8.37 -1.32 -1.25 -4.33 115.64 119.65 1pyp s THR 60 Ca 0.12 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.55 1pyp s THR 60 Cb -0.11 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.88 1pyp s THR 60 CO -0.25 0.00 0.21 0.29 -2.21 0.00 0.00 174.62 172.66 1pyp n LYS 61 N 1.45 -2.07 0.00 7.08 5.02 -1.26 -4.84 118.16 123.53 1pyp n LYS 61 Ca -0.09 1.88 0.00 0.00 -2.02 0.00 0.00 58.31 58.08 1pyp n LYS 61 Cb 0.57 -4.26 0.00 0.00 -0.02 0.00 0.00 35.03 31.32 1pyp n LYS 61 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pyp n GLU 62 N 0.07 0.00 0.00 1.97 -0.58 -1.26 -4.97 120.64 115.87 1pyp n GLU 62 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1pyp n GLU 62 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 1pyp n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1pyp n GLU 63 N -0.05 0.00 -0.12 3.49 0.00 -1.26 -4.83 120.64 117.87 1pyp n GLU 63 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 1pyp n GLU 63 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 31.44 31.54 1pyp n GLU 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1pyp n THR 64 N 0.00 0.96 -1.01 6.31 -1.04 -1.26 -4.60 114.28 113.65 1pyp n THR 64 Ca 0.00 -0.98 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 1pyp n THR 64 Cb 0.00 0.52 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1pyp n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1pyp n LEU 65 N 0.21 -1.53 -3.63 -4.42 7.99 -1.26 -1.71 117.00 112.65 1pyp n LEU 65 Ca 0.08 1.90 -0.08 0.00 -0.01 0.00 0.00 56.01 57.90 1pyp n LEU 65 Cb 0.37 -1.57 -0.06 0.00 -0.11 0.00 0.00 43.42 42.04 1pyp n LEU 65 CO 0.05 0.01 0.84 0.20 -1.51 0.00 0.00 177.39 176.98 1pyp s ASN 66 N -3.47 -0.34 1.05 -1.43 -0.87 -1.26 -4.31 114.94 104.31 1pyp s ASN 66 Ca 0.00 0.60 -0.13 0.00 -1.57 0.00 0.00 52.86 51.76 1pyp s ASN 66 Cb 0.00 0.59 0.17 0.00 -0.02 0.00 0.00 41.25 41.99 1pyp s ASN 66 CO 0.00 -0.16 0.79 -0.81 -2.57 0.00 0.00 177.10 174.34 1pyp n PRO 67 N 1.72 -1.33 -3.90 -0.60 -0.04 1.34 -2.56 135.00 129.64 1pyp n PRO 67 Ca -0.11 -0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 62.98 1pyp n PRO 67 Cb 0.57 -2.10 0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1pyp n PRO 67 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pyp s ILE 68 N -2.45 0.00 -0.81 0.52 -1.09 0.11 -4.40 121.20 113.08 1pyp s ILE 68 Ca 0.64 -0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1pyp s ILE 68 Cb -0.22 -2.92 0.36 0.00 -1.58 0.00 0.00 42.46 38.10 1pyp s ILE 68 CO 0.64 0.00 1.81 -0.38 -1.23 0.00 0.00 174.94 175.78 1pyp n ILE 69 N -0.74 3.82 0.00 2.92 5.41 -1.24 -0.29 119.36 129.24 1pyp n ILE 69 Ca -0.02 -4.73 0.00 0.00 1.00 0.00 0.00 62.75 59.00 1pyp n ILE 69 Cb 0.59 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 1pyp n ILE 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pyp n GLN 70 N -0.44 0.00 0.00 0.38 6.02 -1.20 -2.23 117.38 119.91 1pyp n GLN 70 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 1pyp n GLN 70 Cb 0.31 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.57 1pyp n GLN 70 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pyp n ASN 71 N 0.00 0.00 0.00 1.08 3.02 -1.26 -1.66 115.26 116.44 1pyp n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pyp n ASN 71 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1pyp n ASN 71 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1pyp n THR 72 N 0.00 0.00 -2.30 3.41 -1.04 -1.26 -4.88 114.28 108.22 1pyp n THR 72 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1pyp n THR 72 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1pyp n THR 72 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1pyp n LYS 73 N 0.00 3.09 -3.23 -2.82 5.02 -1.26 -5.00 118.16 113.96 1pyp n LYS 73 Ca 0.00 -4.06 -0.22 0.00 -2.02 0.00 0.00 58.31 52.00 1pyp n LYS 73 Cb 0.00 -2.09 0.02 0.00 -0.02 0.00 0.00 35.03 32.94 1pyp n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pyp n GLY 74 N -0.60 -0.58 0.00 0.72 0.00 -1.26 -4.98 105.19 98.48 1pyp n GLY 74 Ca 0.34 0.96 0.00 0.00 0.00 0.00 0.00 46.02 47.32 1pyp n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pyp n LYS 75 N 0.08 0.00 -2.09 1.61 5.02 -1.26 -5.13 118.16 116.39 1pyp n LYS 75 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 1pyp n LYS 75 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.54 1pyp n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pyp s LEU 76 N 0.00 4.32 -0.51 -0.35 2.01 -1.26 -4.35 118.68 118.53 1pyp s LEU 76 Ca 0.00 2.66 -0.23 0.00 0.01 0.00 0.00 54.13 56.57 1pyp s LEU 76 Cb 0.00 -3.78 0.04 0.00 0.01 0.00 0.00 46.19 42.46 1pyp s LEU 76 CO 0.00 -0.69 0.84 -0.60 1.01 0.00 0.00 176.35 176.91 1pyp s ARG 77 N -2.03 3.32 -0.26 1.70 3.52 -0.66 -5.00 118.95 119.53 1pyp s ARG 77 Ca 0.53 -0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 55.72 1pyp s ARG 77 Cb -0.39 -4.03 -0.03 0.00 -1.56 0.00 0.00 34.95 28.95 1pyp s ARG 77 CO 0.50 -1.33 0.10 -0.06 -0.81 0.00 0.00 175.30 173.71 1pyp s PHE 78 N 3.52 3.12 0.25 5.12 0.08 -1.26 -3.37 117.98 125.45 1pyp s PHE 78 Ca 0.28 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.68 1pyp s PHE 78 Cb -0.14 -2.28 -0.09 0.00 -0.57 0.00 0.00 43.02 39.94 1pyp s PHE 78 CO 0.19 -0.34 1.26 0.08 -0.10 0.00 0.00 175.22 176.31 1pyp s VAL 79 N 1.64 3.14 0.95 -0.44 1.01 3.77 -4.95 120.40 125.53 1pyp s VAL 79 Ca 0.06 1.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 1pyp s VAL 79 Cb -0.16 -3.66 0.15 0.00 0.00 0.00 0.00 36.38 32.71 1pyp s VAL 79 CO 0.05 0.20 1.01 0.54 0.00 0.00 0.00 175.10 176.91 1pyp n ARG 80 N 1.76 -0.65 -1.59 2.72 5.12 -1.26 -4.43 116.66 118.34 1pyp n ARG 80 Ca 0.03 -0.13 -0.34 0.00 -1.93 0.00 0.00 57.85 55.47 1pyp n ARG 80 Cb 0.43 -2.28 0.06 0.00 -1.16 0.00 0.00 32.46 29.52 1pyp n ARG 80 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1pyp n ASN 81 N -3.87 7.20 0.00 0.55 3.02 -1.17 -4.69 115.26 116.29 1pyp n ASN 81 Ca 0.10 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 1pyp n ASN 81 Cb 0.53 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1pyp n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pyp n PHE 83 N 0.00 0.00 -1.61 0.00 -0.00 -0.19 -4.16 117.46 111.50 1pyp n PHE 83 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.00 1pyp n PHE 83 Cb 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 39.48 39.09 1pyp n PHE 83 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1pyp n PRO 84 N -2.23 2.07 0.00 -7.13 -0.04 -1.26 -4.44 135.00 121.98 1pyp n PRO 84 Ca 0.00 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1pyp n PRO 84 Cb 0.00 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1pyp n PRO 84 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pyp n HIS 85 N 9.34 0.00 0.00 0.54 8.25 -1.26 -5.01 115.22 127.08 1pyp n HIS 85 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1pyp n HIS 85 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1pyp n HIS 85 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pyp n HIS 86 N 0.00 0.00 0.00 4.41 -0.00 -1.26 -4.98 115.22 113.39 1pyp n HIS 86 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1pyp n HIS 86 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1pyp n HIS 86 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1pyp n GLY 87 N 0.00 0.34 3.18 1.57 0.00 -1.26 -3.46 105.19 105.55 1pyp n GLY 87 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1pyp n GLY 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pyp s TYR 88 N 0.21 2.88 -0.10 1.61 5.04 0.31 -4.54 117.35 122.77 1pyp s TYR 88 Ca 0.00 -1.49 0.03 0.00 -2.44 0.00 0.00 57.07 53.17 1pyp s TYR 88 Cb 0.00 -1.98 0.01 0.00 0.35 0.00 0.00 41.96 40.33 1pyp s TYR 88 CO 0.00 -0.74 -0.20 0.96 -1.34 0.00 0.00 175.55 174.24 1pyp s ILE 89 N 1.33 1.76 0.00 3.14 -0.00 -1.26 1.80 121.20 127.98 1pyp s ILE 89 Ca 0.04 -0.83 0.00 0.00 -0.00 0.00 0.00 60.65 59.85 1pyp s ILE 89 Cb -0.14 -1.55 0.00 0.00 -0.00 0.00 0.00 42.46 40.77 1pyp s ILE 89 CO -0.09 0.49 0.00 1.41 -0.00 0.00 0.00 174.94 176.75 1pyp n HIS 90 N 3.74 0.00 0.00 1.37 8.25 -1.26 -4.89 115.22 122.43 1pyp n HIS 90 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1pyp n HIS 90 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1pyp n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pyp n ASN 91 N 0.00 0.00 0.00 0.41 3.02 -1.22 -3.10 115.26 114.37 1pyp n ASN 91 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pyp n ASN 91 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1pyp n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pyp n TYR 92 N 0.00 0.00 0.00 3.10 -0.00 -1.23 -3.65 117.16 115.38 1pyp n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1pyp n TYR 92 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1pyp n TYR 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pyp n GLY 93 N 1.48 2.60 0.00 2.98 0.00 1.47 -3.42 105.19 110.30 1pyp n GLY 93 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1pyp n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyp n ALA 94 N -3.00 0.00 -0.78 4.61 0.00 -1.22 -4.53 120.51 115.59 1pyp n ALA 94 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1pyp n ALA 94 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1pyp n ALA 94 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pyp n PHE 95 N 0.00 0.00 -1.69 0.00 3.72 -1.24 -4.60 117.46 113.65 1pyp n PHE 95 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1pyp n PHE 95 Cb 0.00 -0.35 0.04 0.00 -0.94 0.00 0.00 39.48 38.23 1pyp n PHE 95 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1pyp n PRO 96 N 3.31 1.43 0.00 -1.08 -0.04 -1.26 -3.46 135.00 133.90 1pyp n PRO 96 Ca 0.12 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1pyp n PRO 96 Cb 0.29 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1pyp n PRO 96 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1pyp n GLN 97 N -0.79 0.00 -4.52 0.54 1.13 -0.94 -4.54 117.38 108.27 1pyp n GLN 97 Ca 0.11 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.93 1pyp n GLN 97 Cb 0.44 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.69 1pyp n GLN 97 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1pyp s THR 98 N -2.00 1.46 -0.27 5.09 2.01 -1.22 -4.21 115.64 116.49 1pyp s THR 98 Ca 0.00 -2.00 -0.12 0.00 0.31 0.00 0.00 61.69 59.88 1pyp s THR 98 Cb 0.00 -2.85 0.10 0.00 0.01 0.00 0.00 72.50 69.76 1pyp s THR 98 CO 0.00 0.00 0.62 0.86 -0.69 0.00 0.00 174.62 175.41 1pyp s TRP 99 N -3.08 -1.13 -1.11 4.92 -0.00 -0.63 -4.58 118.94 113.32 1pyp s TRP 99 Ca 0.35 2.11 -0.20 0.00 -0.00 0.00 0.00 56.10 58.36 1pyp s TRP 99 Cb 0.09 0.66 0.08 0.00 -0.00 0.00 0.00 33.47 34.30 1pyp s TRP 99 CO 0.16 -0.57 1.48 -1.21 -0.00 0.00 0.00 176.95 176.81 1pyp s GLU 100 N 2.28 3.77 0.05 5.86 2.02 -1.23 -4.46 118.70 126.99 1pyp s GLU 100 Ca -0.07 -1.64 -0.37 0.00 0.02 0.00 0.00 54.97 52.90 1pyp s GLU 100 Cb -0.09 -5.31 -0.17 0.00 0.10 0.00 0.00 34.13 28.66 1pyp s GLU 100 CO -0.18 -2.11 1.38 -3.47 0.02 0.00 0.00 175.26 170.89 1pyp n ASP 101 N 8.02 1.69 -0.12 -0.19 -0.08 -1.23 -0.25 116.55 124.40 1pyp n ASP 101 Ca 0.37 1.12 0.08 0.00 -1.51 0.00 0.00 54.79 54.85 1pyp n ASP 101 Cb 0.48 -1.18 0.42 0.00 2.34 0.00 0.00 41.12 43.19 1pyp n ASP 101 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1pyp h PRO 102 N 4.79 0.57 -6.57 -0.67 0.13 -1.61 -2.16 132.00 126.48 1pyp h PRO 102 Ca -0.48 -0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 63.93 1pyp h PRO 102 Cb 1.34 -0.13 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1pyp h PRO 102 CO 0.79 0.38 -0.81 0.54 -0.23 0.00 0.00 178.00 178.66 1pyp s ASN 103 N -6.28 3.72 0.00 1.44 2.20 -1.26 -1.42 114.94 113.34 1pyp s ASN 103 Ca -0.09 -0.42 0.00 0.00 -0.94 0.00 0.00 52.86 51.41 1pyp s ASN 103 Cb 0.19 -0.59 0.00 0.00 -2.00 0.00 0.00 41.25 38.85 1pyp s ASN 103 CO 0.76 0.27 0.00 0.52 -2.94 0.00 0.00 177.10 175.70 1pyp n VAL 104 N 1.69 0.00 -0.37 3.54 0.31 -1.26 -4.81 118.33 117.43 1pyp n VAL 104 Ca -0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.02 1pyp n VAL 104 Cb 0.52 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.43 1pyp n VAL 104 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1pyp n SER 105 N 0.00 0.26 -4.41 4.52 3.41 -1.26 -4.83 113.62 111.31 1pyp n SER 105 Ca 0.00 0.25 -0.29 0.00 -0.26 0.00 0.00 58.87 58.57 1pyp n SER 105 Cb 0.00 -0.19 0.20 0.00 -0.26 0.00 0.00 64.21 63.95 1pyp n SER 105 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1pyp s HIS 106 N 0.73 1.59 0.14 7.33 -3.43 -1.26 -4.84 115.29 115.55 1pyp s HIS 106 Ca 0.23 0.81 -0.33 0.00 -0.80 0.00 0.00 55.06 54.97 1pyp s HIS 106 Cb -0.33 -3.34 -0.13 0.00 -1.43 0.00 0.00 32.58 27.35 1pyp s HIS 106 CO 0.18 -3.22 1.69 -0.35 -2.00 0.00 0.00 174.74 171.04 1pyp n PRO 107 N -4.37 2.43 -1.17 -0.38 -0.04 -1.26 -2.27 135.00 127.95 1pyp n PRO 107 Ca 0.08 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1pyp n PRO 107 Cb 0.58 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1pyp n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pyp n GLU 108 N 4.30 0.00 -2.70 0.54 -0.58 -1.26 -5.01 120.64 115.94 1pyp n GLU 108 Ca 0.17 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.85 1pyp n GLU 108 Cb 0.32 -1.48 0.10 0.00 -0.57 0.00 0.00 31.44 29.81 1pyp n GLU 108 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1pyp n THR 109 N -1.77 0.00 -0.07 2.62 -1.04 -0.96 -4.89 114.28 108.17 1pyp n THR 109 Ca 0.00 -1.11 -0.09 0.00 -2.04 0.00 0.00 64.05 60.81 1pyp n THR 109 Cb 0.26 1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 70.00 1pyp n THR 109 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1pyp h LYS 110 N 2.59 -0.26 0.00 -2.82 1.57 -1.90 0.11 116.57 115.86 1pyp h LYS 110 Ca -0.21 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1pyp h LYS 110 Cb 1.16 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1pyp h LYS 110 CO 0.06 -0.17 0.00 0.00 -0.57 0.00 0.00 179.45 178.77 1pyp n ALA 111 N -2.91 0.08 0.00 3.86 0.00 -1.26 -4.69 120.51 115.59 1pyp n ALA 111 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1pyp n ALA 111 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1pyp n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pyp n VAL 112 N 0.03 0.00 -4.77 0.00 0.31 0.39 -1.59 118.33 112.70 1pyp n VAL 112 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1pyp n VAL 112 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1pyp n VAL 112 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1pyp s GLY 113 N 0.00 3.07 0.00 2.92 0.00 -0.51 -2.57 107.32 110.24 1pyp s GLY 113 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1pyp s GLY 113 CO 0.00 -2.21 0.00 2.09 0.00 0.00 0.00 173.10 172.98 1pyp n ASP 114 N -1.29 1.38 0.00 1.64 5.75 0.65 -3.73 116.55 120.95 1pyp n ASP 114 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 1pyp n ASP 114 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1pyp n ASP 114 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1pyp n ASN 115 N 0.00 0.00 0.00 -1.12 3.02 -1.24 -2.94 115.26 112.99 1pyp n ASN 115 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pyp n ASN 115 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1pyp n ASN 115 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pyp n ASN 116 N 0.00 0.00 0.00 6.41 5.03 -1.26 -3.55 115.26 121.89 1pyp n ASN 116 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1pyp n ASN 116 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1pyp n ASN 116 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1pyp n PRO 117 N 0.00 0.00 -4.68 3.52 -0.04 -1.26 -3.77 135.00 128.76 1pyp n PRO 117 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1pyp n PRO 117 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 1pyp n PRO 117 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pyp s ILE 118 N 0.00 1.95 -0.12 0.52 1.01 -1.26 -4.11 121.20 119.19 1pyp s ILE 118 Ca 0.00 -1.39 -0.18 0.00 0.00 0.00 0.00 60.65 59.07 1pyp s ILE 118 Cb 0.00 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1pyp s ILE 118 CO 0.00 0.23 0.48 -1.81 0.00 0.00 0.00 174.94 173.84 1pyp s ASP 119 N -1.40 6.68 -0.03 3.58 1.01 -1.26 -3.49 116.67 121.75 1pyp s ASP 119 Ca 0.10 0.81 0.03 0.00 0.71 0.00 0.00 52.55 54.20 1pyp s ASP 119 Cb -0.10 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1pyp s ASP 119 CO 0.03 -0.01 -0.11 -0.69 0.21 0.00 0.00 175.17 174.60 1pyp s VAL 120 N 0.67 0.97 -0.18 -1.27 1.01 -1.26 -2.88 120.40 117.46 1pyp s VAL 120 Ca 0.26 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1pyp s VAL 120 Cb -0.15 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.41 1pyp s VAL 120 CO 0.10 0.30 -0.06 -0.76 0.00 0.00 0.00 175.10 174.68 1pyp s LEU 121 N 0.22 1.85 -0.11 3.92 1.43 -0.53 0.43 118.68 125.89 1pyp s LEU 121 Ca -0.05 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1pyp s LEU 121 Cb -0.10 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 1pyp s LEU 121 CO 0.01 -0.18 -0.07 -1.58 0.23 0.00 0.00 176.35 174.76 1pyp s GLN 122 N 1.56 3.21 -1.16 1.70 -0.44 -1.18 -2.70 119.66 120.66 1pyp s GLN 122 Ca -0.00 -0.57 -0.05 0.00 -2.50 0.00 0.00 55.36 52.24 1pyp s GLN 122 Cb -0.16 -2.71 0.25 0.00 -1.64 0.00 0.00 33.01 28.75 1pyp s GLN 122 CO -0.08 0.41 1.83 1.51 0.50 0.00 0.00 175.29 179.47 1pyp n ILE 123 N 2.98 5.31 -2.85 -2.34 3.06 -1.00 -4.49 119.36 120.03 1pyp n ILE 123 Ca -0.18 -5.31 -0.41 0.00 -2.50 0.00 0.00 62.75 54.35 1pyp n ILE 123 Cb 0.53 -2.00 -0.04 0.00 0.54 0.00 0.00 39.64 38.67 1pyp n ILE 123 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1pyp s GLY 124 N -0.70 2.53 0.26 4.50 0.00 -1.26 -4.85 107.32 107.79 1pyp s GLY 124 Ca 0.39 0.26 -0.10 0.00 0.00 0.00 0.00 44.72 45.27 1pyp s GLY 124 CO -0.01 1.57 1.58 -2.09 0.00 0.00 0.00 173.10 174.15 1pyp h GLU 125 N 6.98 -0.00 -7.19 2.90 4.81 -1.94 -3.39 114.58 116.75 1pyp h GLU 125 Ca -0.36 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.36 1pyp h GLU 125 Cb 1.18 0.00 0.09 0.00 0.63 0.00 0.00 28.75 30.65 1pyp h GLU 125 CO 0.79 -0.00 0.38 0.99 -0.73 0.00 0.00 179.01 180.44 1pyp s THR 126 N -6.23 3.30 0.66 0.32 2.01 -1.26 -5.02 115.64 109.42 1pyp s THR 126 Ca -0.15 0.63 -0.11 0.00 0.31 0.00 0.00 61.69 62.37 1pyp s THR 126 Cb 0.24 -3.16 0.17 0.00 0.01 0.00 0.00 72.50 69.77 1pyp s THR 126 CO 0.76 -0.35 0.43 -0.38 -0.69 0.00 0.00 174.62 174.39 1pyp n ILE 127 N -2.24 0.00 -2.13 1.82 5.41 -1.26 -5.03 119.36 115.94 1pyp n ILE 127 Ca 0.10 -0.06 -0.27 0.00 1.00 0.00 0.00 62.75 63.53 1pyp n ILE 127 Cb 0.52 -0.62 0.17 0.00 -0.71 0.00 0.00 39.64 39.00 1pyp n ILE 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pyp n ALA 128 N -4.22 -0.95 -2.69 -1.39 0.00 -1.26 -5.00 120.51 104.99 1pyp n ALA 128 Ca -0.09 -1.77 -0.07 0.00 0.00 0.00 0.00 53.44 51.51 1pyp n ALA 128 Cb 0.28 0.04 0.04 0.00 0.00 0.00 0.00 19.45 19.81 1pyp n ALA 128 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1pyp n TYR 129 N -3.49 1.44 -0.36 0.00 4.19 -1.26 -4.98 117.16 112.71 1pyp n TYR 129 Ca 0.16 -2.47 0.00 0.00 3.31 0.00 0.00 57.90 58.90 1pyp n TYR 129 Cb 0.57 -0.29 0.00 0.00 0.49 0.00 0.00 39.34 40.11 1pyp n TYR 129 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1pyp n THR 130 N -0.38 0.00 0.00 2.97 -1.04 -1.26 0.67 114.28 115.24 1pyp n THR 130 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1pyp n THR 130 Cb 0.81 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 1pyp n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pyp n GLY 131 N -0.05 0.67 3.61 3.41 0.00 0.69 -4.89 105.19 108.63 1pyp n GLY 131 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1pyp n GLY 131 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pyp n GLN 132 N -1.14 2.08 -2.96 1.61 7.27 3.09 -4.50 117.38 122.83 1pyp n GLN 132 Ca 0.00 0.68 -0.44 0.00 0.07 0.00 0.00 57.00 57.31 1pyp n GLN 132 Cb 0.00 -2.92 -0.03 0.00 2.41 0.00 0.00 30.24 29.70 1pyp n GLN 132 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1pyp s VAL 133 N 6.27 4.71 0.24 1.69 1.01 -1.26 -3.65 120.40 129.41 1pyp s VAL 133 Ca 0.98 -1.32 0.11 0.00 0.00 0.00 0.00 61.98 61.74 1pyp s VAL 133 Cb -0.53 -4.71 -0.05 0.00 0.00 0.00 0.00 36.38 31.10 1pyp s VAL 133 CO 0.43 -1.42 -0.14 -1.59 0.00 0.00 0.00 175.10 172.37 1pyp s LYS 134 N 2.81 1.86 0.00 2.72 -2.85 -1.18 -4.56 119.74 118.54 1pyp s LYS 134 Ca 0.27 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 1pyp s LYS 134 Cb -0.10 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1pyp s LYS 134 CO -0.04 0.37 0.00 -0.85 0.10 0.00 0.00 175.35 174.93 1pyp n GLU 135 N -0.40 0.72 0.00 1.78 0.00 -1.26 -2.34 120.64 119.13 1pyp n GLU 135 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1pyp n GLU 135 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.02 1pyp n GLU 135 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1pyp n VAL 136 N -0.67 0.00 -4.03 3.84 3.14 -1.19 -4.44 118.33 114.97 1pyp n VAL 136 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 1pyp n VAL 136 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1pyp n VAL 136 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1pyp s LYS 137 N -3.64 3.00 0.22 1.45 1.02 -1.10 -3.12 119.74 117.58 1pyp s LYS 137 Ca 0.00 -0.62 -0.28 0.00 0.02 0.00 0.00 55.97 55.08 1pyp s LYS 137 Cb 0.00 -2.80 -0.09 0.00 -0.52 0.00 0.00 37.83 34.43 1pyp s LYS 137 CO 0.00 0.58 0.89 0.00 -0.92 0.00 0.00 175.35 175.90 1pyp s ALA 138 N -1.39 3.37 0.00 5.17 0.00 -1.26 -3.00 121.76 124.66 1pyp s ALA 138 Ca 0.30 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1pyp s ALA 138 Cb -0.12 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1pyp s ALA 138 CO 0.22 0.24 0.00 1.28 0.00 0.00 0.00 175.76 177.50 1pyp n LEU 139 N 1.49 0.00 0.00 0.00 4.77 0.44 -4.84 117.00 118.86 1pyp n LEU 139 Ca -0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1pyp n LEU 139 Cb 0.48 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1pyp n LEU 139 CO 0.49 0.00 0.11 0.61 -1.33 0.00 0.00 177.39 177.26 1pyp n GLY 140 N 4.39 2.45 3.06 -0.72 0.00 -1.26 0.99 105.19 114.10 1pyp n GLY 140 Ca 0.00 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 1pyp n GLY 140 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pyp s ILE 141 N -1.19 -0.04 0.03 -0.61 -1.16 -1.16 -1.89 121.20 115.18 1pyp s ILE 141 Ca 0.24 0.14 0.07 0.00 -0.51 0.00 0.00 60.65 60.58 1pyp s ILE 141 Cb -0.02 -0.38 -0.03 0.00 0.61 0.00 0.00 42.46 42.64 1pyp s ILE 141 CO 0.15 0.06 -0.17 -0.32 -2.81 0.00 0.00 174.94 171.84 1pyp s MET 142 N 1.20 2.13 0.01 3.50 1.75 1.28 -2.13 119.30 127.03 1pyp s MET 142 Ca -0.09 -0.95 0.07 0.00 -1.25 0.00 0.00 55.69 53.48 1pyp s MET 142 Cb -0.10 -2.21 -0.02 0.00 2.84 0.00 0.00 34.83 35.34 1pyp s MET 142 CO -0.08 0.55 -0.22 0.00 -0.65 0.00 0.00 175.02 174.62 1pyp s ALA 143 N -0.91 1.83 -0.04 4.11 0.00 -1.26 1.68 121.76 127.18 1pyp s ALA 143 Ca 0.14 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1pyp s ALA 143 Cb -0.11 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1pyp s ALA 143 CO 0.05 0.44 0.01 -0.48 0.00 0.00 0.00 175.76 175.78 1pyp s LEU 144 N -0.79 0.81 -0.52 0.00 2.34 0.16 -2.71 118.68 117.97 1pyp s LEU 144 Ca 0.08 -0.01 -0.16 0.00 0.06 0.00 0.00 54.13 54.10 1pyp s LEU 144 Cb -0.09 -0.24 0.11 0.00 -0.56 0.00 0.00 46.19 45.41 1pyp s LEU 144 CO 0.00 -0.15 0.49 -0.76 -1.06 0.00 0.00 176.35 174.87 1pyp s LEU 145 N 1.48 5.93 -0.01 1.48 1.43 -1.07 -1.84 118.68 126.08 1pyp s LEU 145 Ca -0.03 -1.61 0.05 0.00 -1.03 0.00 0.00 54.13 51.51 1pyp s LEU 145 Cb -0.13 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1pyp s LEU 145 CO -0.03 -0.82 -0.16 1.51 0.23 0.00 0.00 176.35 177.08 1pyp s ASP 146 N 3.29 1.93 -0.70 2.29 1.47 -1.22 -4.14 116.67 119.58 1pyp s ASP 146 Ca 0.04 -0.30 -0.02 0.00 1.18 0.00 0.00 52.55 53.45 1pyp s ASP 146 Cb -0.28 -0.23 0.00 0.00 -0.34 0.00 0.00 42.92 42.07 1pyp s ASP 146 CO 0.05 0.20 0.50 -1.84 0.68 0.00 0.00 175.17 174.75 1pyp n GLU 147 N 2.70 -1.21 -2.59 2.11 0.00 -1.26 -1.59 120.64 118.80 1pyp n GLU 147 Ca -0.15 0.56 -0.15 0.00 0.00 0.00 0.00 57.16 57.43 1pyp n GLU 147 Cb 0.54 -1.81 0.01 0.00 0.00 0.00 0.00 31.44 30.18 1pyp n GLU 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pyp n GLY 148 N -1.47 -0.24 3.36 -1.84 0.00 -1.26 -4.92 105.19 98.81 1pyp n GLY 148 Ca -0.26 0.40 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1pyp n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pyp s GLU 149 N -2.18 0.53 -0.61 1.61 0.41 -0.62 -4.93 118.70 112.91 1pyp s GLU 149 Ca 0.09 1.17 -0.26 0.00 -0.41 0.00 0.00 54.97 55.55 1pyp s GLU 149 Cb -0.01 0.58 -0.03 0.00 -1.78 0.00 0.00 34.13 32.89 1pyp s GLU 149 CO 0.40 -0.40 1.97 0.99 -0.49 0.00 0.00 175.26 177.72 1pyp s THR 150 N 2.82 3.29 -0.00 3.63 2.01 -0.62 -3.43 115.64 123.34 1pyp s THR 150 Ca 0.06 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1pyp s THR 150 Cb -0.13 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1pyp s THR 150 CO -0.19 -0.75 0.02 -0.62 -0.69 0.00 0.00 174.62 172.39 1pyp s ASP 151 N 8.84 5.26 0.14 3.53 -1.08 -0.77 -4.35 116.67 128.25 1pyp s ASP 151 Ca 0.73 0.03 0.04 0.00 -0.52 0.00 0.00 52.55 52.83 1pyp s ASP 151 Cb -0.13 -1.41 -0.04 0.00 -1.46 0.00 0.00 42.92 39.87 1pyp s ASP 151 CO 0.20 0.28 -0.09 0.26 0.52 0.00 0.00 175.17 176.34 1pyp s TRP 152 N -1.11 1.21 -0.12 -5.34 0.52 -1.25 0.37 118.94 113.22 1pyp s TRP 152 Ca 0.20 -0.80 0.02 0.00 0.02 0.00 0.00 56.10 55.55 1pyp s TRP 152 Cb -0.12 -0.63 0.01 0.00 -1.15 0.00 0.00 33.47 31.58 1pyp s TRP 152 CO 0.11 0.03 -0.17 0.15 0.02 0.00 0.00 176.95 177.09 1pyp s LYS 153 N -3.77 2.47 0.03 4.98 3.01 20.69 -4.40 119.74 142.75 1pyp s LYS 153 Ca 0.17 -0.65 0.01 0.00 -1.01 0.00 0.00 55.97 54.48 1pyp s LYS 153 Cb 0.03 -2.06 -0.04 0.00 -1.01 0.00 0.00 37.83 34.76 1pyp s LYS 153 CO 0.00 -0.05 0.08 0.08 0.51 0.00 0.00 175.35 175.98 1pyp s VAL 154 N 0.93 4.65 -0.31 3.17 1.01 -1.14 0.39 120.40 129.10 1pyp s VAL 154 Ca -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1pyp s VAL 154 Cb -0.15 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.12 1pyp s VAL 154 CO -0.02 0.25 -0.01 -0.63 0.00 0.00 0.00 175.10 174.70 1pyp s ILE 155 N -1.28 2.56 0.12 2.22 1.01 -0.79 -1.45 121.20 123.58 1pyp s ILE 155 Ca 0.26 -1.76 0.07 0.00 0.00 0.00 0.00 60.65 59.21 1pyp s ILE 155 Cb -0.12 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1pyp s ILE 155 CO 0.18 -0.25 -0.16 0.00 0.00 0.00 0.00 174.94 174.70 1pyp s ALA 156 N 1.11 1.61 0.07 9.38 0.00 -1.10 0.16 121.76 133.00 1pyp s ALA 156 Ca -0.02 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 1pyp s ALA 156 Cb -0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1pyp s ALA 156 CO -0.04 0.19 0.01 0.42 0.00 0.00 0.00 175.76 176.33 1pyp s ILE 157 N -1.80 0.19 -1.09 0.00 1.01 -1.16 -2.37 121.20 115.97 1pyp s ILE 157 Ca 0.08 -1.78 -0.23 0.00 0.00 0.00 0.00 60.65 58.73 1pyp s ILE 157 Cb -0.07 -1.61 -0.11 0.00 0.01 0.00 0.00 42.46 40.68 1pyp s ILE 157 CO 0.04 -0.86 1.93 -0.67 0.00 0.00 0.00 174.94 175.37 1pyp n ASP 158 N 0.05 2.96 -0.06 3.58 2.03 -1.26 -2.69 116.55 121.15 1pyp n ASP 158 Ca -0.12 -2.69 0.10 0.00 0.52 0.00 0.00 54.79 52.59 1pyp n ASP 158 Cb 0.62 -1.60 0.16 0.00 -0.72 0.00 0.00 41.12 39.58 1pyp n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1pyp n ILE 159 N 7.41 0.00 0.10 5.18 5.41 -1.26 0.99 119.36 137.19 1pyp n ILE 159 Ca 0.46 0.51 0.06 0.00 1.00 0.00 0.00 62.75 64.78 1pyp n ILE 159 Cb 0.45 -0.92 -0.00 0.00 -0.71 0.00 0.00 39.64 38.46 1pyp n ILE 159 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1pyp h ASN 160 N 0.00 0.00 -4.22 4.38 -0.00 -1.92 -3.45 115.58 110.37 1pyp h ASN 160 Ca 0.18 0.00 -0.49 0.00 -0.00 0.00 0.00 56.30 55.99 1pyp h ASN 160 Cb 1.18 0.00 0.06 0.00 -0.00 0.00 0.00 38.32 39.56 1pyp h ASN 160 CO -0.00 0.29 0.38 -0.62 -0.00 0.00 0.00 177.43 177.48 1pyp s ASP 161 N -5.83 5.79 1.01 6.14 2.15 6.52 -5.01 116.67 127.44 1pyp s ASP 161 Ca 0.01 1.76 -0.12 0.00 0.43 0.00 0.00 52.55 54.63 1pyp s ASP 161 Cb 0.08 -2.52 0.15 0.00 -0.30 0.00 0.00 42.92 40.33 1pyp s ASP 161 CO 0.77 -1.16 0.83 -0.81 -0.17 0.00 0.00 175.17 174.63 1pyp n PRO 162 N -2.17 -1.01 -1.66 4.34 -0.04 -1.26 -3.47 135.00 129.74 1pyp n PRO 162 Ca 0.08 -0.25 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 1pyp n PRO 162 Cb 0.53 -2.14 -0.01 0.00 -0.04 0.00 0.00 33.50 31.84 1pyp n PRO 162 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pyp n LEU 163 N -3.47 -0.79 0.00 1.53 4.32 -1.26 -4.95 117.00 112.39 1pyp n LEU 163 Ca 0.08 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1pyp n LEU 163 Cb 0.54 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1pyp n LEU 163 CO 0.52 -0.11 0.08 0.00 -1.22 0.00 0.00 177.39 176.65 1pyp n ALA 164 N -0.21 0.00 0.00 -1.18 0.00 -1.23 -1.94 120.51 115.95 1pyp n ALA 164 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1pyp n ALA 164 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1pyp n ALA 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pyp n PRO 165 N -0.27 0.00 0.04 0.00 -0.04 -1.26 -0.17 135.00 133.31 1pyp n PRO 165 Ca 0.00 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 1pyp n PRO 165 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.81 1pyp n PRO 165 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1pyp h LYS 166 N 0.00 0.28 -5.11 0.54 1.57 -1.95 -3.45 116.57 108.46 1pyp h LYS 166 Ca 0.00 -0.49 -0.65 0.00 -1.87 0.00 0.00 60.65 57.65 1pyp h LYS 166 Cb 0.00 0.18 -0.24 0.00 0.08 0.00 0.00 32.23 32.26 1pyp h LYS 166 CO 0.00 1.16 -0.68 -0.51 -0.57 0.00 0.00 179.45 178.85 1pyp s LEU 167 N -7.03 3.17 0.00 2.94 1.02 0.77 -4.88 118.68 114.67 1pyp s LEU 167 Ca -0.15 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.76 1pyp s LEU 167 Cb 0.06 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.47 1pyp s LEU 167 CO 0.83 0.05 0.25 -0.46 0.02 0.00 0.00 176.35 177.04 1pyp n ASN 168 N 4.31 0.00 -3.70 2.29 2.04 -1.26 -4.85 115.26 114.09 1pyp n ASN 168 Ca -0.17 -1.06 -0.01 0.00 -0.44 0.00 0.00 54.58 52.89 1pyp n ASN 168 Cb 0.52 -0.01 -0.01 0.00 -2.53 0.00 0.00 39.78 37.74 1pyp n ASN 168 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1pyp s ASP 169 N -0.06 -0.13 0.02 0.53 2.15 -1.26 -4.84 116.67 113.07 1pyp s ASP 169 Ca 0.00 -0.29 -0.13 0.00 0.43 0.00 0.00 52.55 52.56 1pyp s ASP 169 Cb 0.00 0.36 -0.07 0.00 -0.30 0.00 0.00 42.92 42.90 1pyp s ASP 169 CO 0.00 -0.66 1.11 0.40 -0.17 0.00 0.00 175.17 175.85 1pyp h ILE 170 N 2.00 0.00 -0.01 4.11 1.08 -1.88 -3.24 117.51 119.57 1pyp h ILE 170 Ca -0.27 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1pyp h ILE 170 Cb 1.22 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1pyp h ILE 170 CO 0.27 0.00 -0.01 -1.84 -0.69 0.00 0.00 178.15 175.88 1pyp n GLU 171 N -3.35 -0.00 0.00 2.37 0.00 -1.26 -3.17 120.64 115.22 1pyp n GLU 171 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1pyp n GLU 171 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 31.44 31.59 1pyp n GLU 171 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pyp n ASP 172 N -2.94 0.00 0.00 -1.84 9.92 -1.22 -2.26 116.55 118.21 1pyp n ASP 172 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1pyp n ASP 172 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1pyp n ASP 172 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1pyp n VAL 173 N 0.00 0.00 -0.21 2.53 0.31 -1.19 0.00 118.33 119.77 1pyp n VAL 173 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1pyp n VAL 173 Cb 0.00 0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.20 1pyp n VAL 173 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pyp n GLU 174 N 0.00 -0.04 0.07 5.55 -0.58 -0.96 0.61 120.64 125.29 1pyp n GLU 174 Ca 0.00 0.92 -0.22 0.00 -0.42 0.00 0.00 57.16 57.43 1pyp n GLU 174 Cb 0.00 -1.54 -0.15 0.00 -0.57 0.00 0.00 31.44 29.18 1pyp n GLU 174 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1pyp h LYS 175 N 0.00 0.37 0.00 3.49 1.57 -0.56 -0.51 116.57 120.92 1pyp h LYS 175 Ca 0.45 -0.62 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1pyp h LYS 175 Cb 1.08 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 1pyp h LYS 175 CO -0.55 1.30 -0.12 1.88 -0.57 0.00 0.00 179.45 181.39 1pyp h TYR 176 N -0.15 0.00 -1.35 -1.35 -1.99 0.38 -3.39 116.97 109.12 1pyp h TYR 176 Ca -0.24 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 59.90 1pyp h TYR 176 Cb 1.88 0.00 -0.42 0.00 2.00 0.00 0.00 36.73 40.19 1pyp h TYR 176 CO 0.15 0.44 -0.72 1.19 -0.00 0.00 0.00 178.16 179.22 1pyp n PHE 177 N -4.69 3.26 -1.54 4.88 3.01 2.65 -4.98 117.46 120.06 1pyp n PHE 177 Ca -0.06 -2.91 -0.14 0.00 1.01 0.00 0.00 57.45 55.36 1pyp n PHE 177 Cb 0.23 -0.16 -0.09 0.00 -0.01 0.00 0.00 39.48 39.45 1pyp n PHE 177 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1pyp n PRO 178 N -0.53 0.39 0.00 -1.08 -0.04 0.91 -0.48 135.00 134.16 1pyp n PRO 178 Ca 0.40 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1pyp n PRO 178 Cb 0.72 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 1pyp n PRO 178 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pyp n GLY 179 N 6.47 -0.46 0.13 0.55 0.00 -1.26 -4.97 105.19 105.65 1pyp n GLY 179 Ca 0.46 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.54 1pyp n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pyp h LEU 180 N 0.00 0.00 0.00 0.99 6.46 -1.15 -3.24 115.31 118.36 1pyp h LEU 180 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1pyp h LEU 180 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1pyp h LEU 180 CO 0.00 0.32 0.00 0.18 -0.62 0.00 0.00 178.44 178.32 1pyp n LEU 181 N -2.95 0.00 -0.50 2.25 4.77 -1.26 -2.40 117.00 116.91 1pyp n LEU 181 Ca -0.02 0.00 0.40 0.00 -0.03 0.00 0.00 56.01 56.36 1pyp n LEU 181 Cb 0.69 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.39 1pyp n LEU 181 CO 0.40 0.00 1.22 -1.14 -1.33 0.00 0.00 177.39 176.54 1pyp n ARG 182 N 0.00 0.00 0.09 3.23 3.00 -1.26 0.43 116.66 122.15 1pyp n ARG 182 Ca 0.00 0.91 0.04 0.00 -0.00 0.00 0.00 57.85 58.80 1pyp n ARG 182 Cb 0.00 -2.14 0.46 0.00 0.00 0.00 0.00 32.46 30.78 1pyp n ARG 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pyp h ALA 183 N 0.74 1.72 0.05 5.13 0.00 -1.64 -2.97 119.26 122.28 1pyp h ALA 183 Ca 0.70 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 55.28 1pyp h ALA 183 Cb 3.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 20.70 1pyp h ALA 183 CO -0.01 0.23 -1.44 1.15 0.00 0.00 0.00 179.25 179.19 1pyp h THR 184 N 0.34 0.88 0.00 0.00 2.02 0.90 -3.37 112.91 113.69 1pyp h THR 184 Ca 0.09 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1pyp h THR 184 Cb 0.07 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1pyp h THR 184 CO -0.01 0.53 0.00 0.47 0.37 0.00 0.00 175.52 176.88 1pyp n ASP 185 N -4.12 0.00 0.00 4.18 8.00 -0.85 -3.42 116.55 120.34 1pyp n ASP 185 Ca -0.30 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1pyp n ASP 185 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1pyp n ASP 185 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pyp n GLU 186 N -0.41 0.00 0.00 -1.24 -0.58 -1.22 -3.14 120.64 114.05 1pyp n GLU 186 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pyp n GLU 186 Cb 0.00 -0.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 1pyp n GLU 186 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1pyp n TRP 187 N 0.00 0.00 -0.06 -0.32 -0.00 -1.25 -0.13 117.44 115.68 1pyp n TRP 187 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.37 1pyp n TRP 187 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.19 1pyp n TRP 187 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 1pyp h PHE 188 N 0.00 -0.00 0.00 5.87 0.04 -1.56 -2.93 116.94 118.35 1pyp h PHE 188 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1pyp h PHE 188 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1pyp h PHE 188 CO 0.00 0.92 0.00 0.54 -0.60 0.00 0.00 178.31 179.17 1pyp n ARG 189 N -4.64 0.00 0.24 1.51 1.74 0.82 -0.93 116.66 115.40 1pyp n ARG 189 Ca -0.10 0.63 0.14 0.00 -0.77 0.00 0.00 57.85 57.75 1pyp n ARG 189 Cb 0.44 -1.46 0.58 0.00 -1.02 0.00 0.00 32.46 31.00 1pyp n ARG 189 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1pyp h ILE 190 N 0.00 0.07 -0.82 0.55 3.07 -1.77 0.41 117.51 119.02 1pyp h ILE 190 Ca 0.00 0.00 0.17 0.00 1.55 0.00 0.00 64.86 66.58 1pyp h ILE 190 Cb 0.00 0.45 -0.06 0.00 -0.27 0.00 0.00 36.82 36.94 1pyp h ILE 190 CO 0.00 0.00 0.55 0.22 -1.05 0.00 0.00 178.15 177.87 1pyp h TYR 191 N 0.00 0.54 0.03 0.16 3.20 -0.84 -1.40 116.97 118.67 1pyp h TYR 191 Ca 0.08 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.62 1pyp h TYR 191 Cb 1.26 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.31 1pyp h TYR 191 CO 0.00 0.18 -2.04 1.63 -1.64 0.00 0.00 178.16 176.30 1pyp n LYS 192 N -4.50 0.68 0.00 1.82 5.02 0.14 -4.61 118.16 116.71 1pyp n LYS 192 Ca 0.16 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1pyp n LYS 192 Cb 0.58 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1pyp n LYS 192 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1pyp n ILE 193 N -3.13 0.00 -0.85 -0.18 2.08 2.21 -1.38 119.36 118.11 1pyp n ILE 193 Ca -0.28 0.38 -0.31 0.00 0.56 0.00 0.00 62.75 63.09 1pyp n ILE 193 Cb 1.06 -0.69 -0.10 0.00 -0.75 0.00 0.00 39.64 39.16 1pyp n ILE 193 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1pyp n PRO 194 N -0.15 0.02 0.00 0.38 -0.04 -1.23 -0.46 135.00 133.52 1pyp n PRO 194 Ca 0.00 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1pyp n PRO 194 Cb 0.00 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 1pyp n PRO 194 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1pyp n ASP 195 N 11.23 0.00 0.00 3.54 -0.08 -0.83 -4.65 116.55 125.75 1pyp n ASP 195 Ca 0.39 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.67 1pyp n ASP 195 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1pyp n ASP 195 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pyp n GLY 196 N 0.00 0.85 3.26 0.27 0.00 0.39 -5.09 105.19 104.86 1pyp n GLY 196 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1pyp n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyp s LYS 197 N 0.00 2.65 0.00 1.61 1.02 -0.48 -4.96 119.74 119.58 1pyp s LYS 197 Ca 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1pyp s LYS 197 Cb 0.00 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 1pyp s LYS 197 CO 0.00 -0.62 0.00 -0.35 -0.92 0.00 0.00 175.35 173.46 1pyp n PRO 198 N 4.78 0.00 -1.45 -1.68 -0.04 -1.26 0.55 135.00 135.91 1pyp n PRO 198 Ca -0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.25 1pyp n PRO 198 Cb 0.45 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.95 1pyp n PRO 198 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1pyp n GLU 199 N 0.00 0.49 0.00 0.54 0.28 -1.26 -2.43 120.64 118.26 1pyp n GLU 199 Ca 0.00 -1.04 0.00 0.00 -0.16 0.00 0.00 57.16 55.96 1pyp n GLU 199 Cb 0.00 -0.20 0.00 0.00 1.43 0.00 0.00 31.44 32.67 1pyp n GLU 199 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1pyp n ASN 200 N -2.91 0.00 0.00 -1.84 5.03 -1.26 -4.98 115.26 109.30 1pyp n ASN 200 Ca 0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1pyp n ASN 200 Cb 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 1pyp n ASN 200 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pyp n GLN 201 N -1.58 0.00 -1.76 3.52 6.02 -1.26 -4.75 117.38 117.57 1pyp n GLN 201 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1pyp n GLN 201 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 1pyp n GLN 201 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1pyp s PHE 202 N 0.00 2.14 0.00 1.08 0.08 -1.26 -2.59 117.98 117.42 1pyp s PHE 202 Ca 0.00 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.56 1pyp s PHE 202 Cb 0.00 -3.62 0.00 0.00 -0.57 0.00 0.00 43.02 38.83 1pyp s PHE 202 CO 0.00 -2.74 0.00 0.00 -0.10 0.00 0.00 175.22 172.38 1pyp n ALA 203 N -1.95 0.00 -2.57 5.36 0.00 -1.10 -4.04 120.51 116.22 1pyp n ALA 203 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1pyp n ALA 203 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1pyp n ALA 203 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pyp n PHE 204 N -0.20 -0.25 0.00 0.00 0.99 -1.26 0.36 117.46 117.10 1pyp n PHE 204 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 1pyp n PHE 204 Cb 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 39.48 38.15 1pyp n PHE 204 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1pyp n SER 205 N 0.17 0.00 0.00 4.37 7.64 -1.26 0.29 113.62 124.83 1pyp n SER 205 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1pyp n SER 205 Cb 0.09 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1pyp n SER 205 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pyp n GLY 206 N -0.13 0.19 3.86 0.23 0.00 1.14 -4.89 105.19 105.60 1pyp n GLY 206 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1pyp n GLY 206 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pyp s GLU 207 N 0.00 3.18 0.20 1.61 -1.05 0.85 -4.95 118.70 118.54 1pyp s GLU 207 Ca 0.00 -0.63 0.09 0.00 -0.15 0.00 0.00 54.97 54.28 1pyp s GLU 207 Cb 0.00 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.79 1pyp s GLU 207 CO 0.00 0.55 -0.06 0.00 0.95 0.00 0.00 175.26 176.71 1pyp s ALA 208 N -1.57 3.04 0.45 -0.84 0.00 -1.26 -4.55 121.76 117.03 1pyp s ALA 208 Ca 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1pyp s ALA 208 Cb -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1pyp s ALA 208 CO 0.26 0.42 0.00 1.63 0.00 0.00 0.00 175.76 178.07 1pyp n LYS 209 N -0.21 0.73 -0.34 0.00 4.76 -0.91 -4.95 118.16 117.24 1pyp n LYS 209 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1pyp n LYS 209 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 1pyp n LYS 209 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1pyp n ASN 210 N -2.65 0.53 -0.37 4.39 6.94 -1.26 -2.99 115.26 119.86 1pyp n ASN 210 Ca 0.00 -0.27 -0.01 0.00 -0.02 0.00 0.00 54.58 54.28 1pyp n ASN 210 Cb 0.00 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.54 1pyp n ASN 210 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1pyp h LYS 211 N 0.00 1.25 -0.67 -3.83 3.64 0.33 -1.51 116.57 115.77 1pyp h LYS 211 Ca 0.00 -0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.44 1pyp h LYS 211 Cb 0.00 -0.28 -0.13 0.00 -0.41 0.00 0.00 32.23 31.41 1pyp h LYS 211 CO 0.00 0.82 -0.13 0.87 -2.27 0.00 0.00 179.45 178.74 1pyp h LYS 212 N 1.28 0.02 0.00 1.90 1.79 -1.95 1.63 116.57 121.25 1pyp h LYS 212 Ca 0.38 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.75 1pyp h LYS 212 Cb -0.08 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1pyp h LYS 212 CO -0.10 0.01 -0.43 -0.92 -1.08 0.00 0.00 179.45 176.93 1pyp h TYR 213 N 0.02 0.00 0.29 -1.35 5.03 -1.78 -2.76 116.97 116.42 1pyp h TYR 213 Ca 0.33 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.63 1pyp h TYR 213 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.80 1pyp h TYR 213 CO -0.51 0.43 -0.14 0.00 -1.32 0.00 0.00 178.16 176.62 1pyp h ALA 214 N 1.57 -0.38 -0.56 1.82 0.00 0.15 0.29 119.26 122.15 1pyp h ALA 214 Ca -0.00 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.87 1pyp h ALA 214 Cb 0.96 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 1pyp h ALA 214 CO 0.06 -0.39 -0.17 -0.07 0.00 0.00 0.00 179.25 178.67 1pyp h LEU 215 N -1.03 -0.63 0.49 0.00 3.38 0.19 2.29 115.31 120.00 1pyp h LEU 215 Ca -0.04 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1pyp h LEU 215 Cb 0.43 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1pyp h LEU 215 CO 0.06 -0.21 -0.23 0.44 0.09 0.00 0.00 178.44 178.59 1pyp h ASP 216 N -0.04 -0.55 -0.85 -0.43 5.19 -1.57 1.03 116.42 119.21 1pyp h ASP 216 Ca 0.27 -0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.73 1pyp h ASP 216 Cb 0.45 0.14 -0.06 0.00 0.18 0.00 0.00 39.33 40.04 1pyp h ASP 216 CO -0.60 -0.30 0.55 -0.29 -3.12 0.00 0.00 179.24 175.48 1pyp h ILE 217 N -0.78 0.98 -0.00 0.35 6.09 0.03 0.41 117.51 124.58 1pyp h ILE 217 Ca -0.07 -0.29 -0.16 0.00 -1.37 0.00 0.00 64.86 62.97 1pyp h ILE 217 Cb 0.56 0.06 -0.02 0.00 0.47 0.00 0.00 36.82 37.89 1pyp h ILE 217 CO 0.11 0.15 -0.78 0.40 -3.07 0.00 0.00 178.15 174.96 1pyp h ILE 218 N 0.84 1.56 0.29 2.19 2.04 0.41 -2.86 117.51 121.99 1pyp h ILE 218 Ca 0.38 -2.66 -0.01 0.00 1.00 0.00 0.00 64.86 63.57 1pyp h ILE 218 Cb 0.37 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1pyp h ILE 218 CO -0.15 0.76 -0.14 0.50 0.00 0.00 0.00 178.15 179.12 1pyp h LYS 219 N 0.01 -0.38 0.00 2.37 3.64 0.35 -2.92 116.57 119.63 1pyp h LYS 219 Ca -0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1pyp h LYS 219 Cb 1.38 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1pyp h LYS 219 CO 0.10 -0.08 0.00 -1.91 -2.27 0.00 0.00 179.45 175.29 1pyp n GLU 220 N -5.05 0.25 -0.01 1.90 0.00 0.12 -1.76 120.64 116.08 1pyp n GLU 220 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.87 1pyp n GLU 220 Cb 0.24 -1.41 -0.13 0.00 0.00 0.00 0.00 31.44 30.14 1pyp n GLU 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pyp h THR 221 N 0.00 0.97 -0.02 6.31 1.03 -1.31 -3.24 112.91 116.65 1pyp h THR 221 Ca 0.00 -2.35 -0.02 0.00 -0.01 0.00 0.00 66.41 64.03 1pyp h THR 221 Cb 0.00 2.62 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 1pyp h THR 221 CO 0.00 0.67 -0.08 -0.74 -0.01 0.00 0.00 175.52 175.36 1pyp h HIS 222 N -0.38 0.12 -0.49 0.00 -0.00 -1.30 -1.66 115.15 111.44 1pyp h HIS 222 Ca -0.32 -0.05 0.10 0.00 -0.00 0.00 0.00 60.37 60.10 1pyp h HIS 222 Cb 1.70 -0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 28.99 1pyp h HIS 222 CO 0.12 0.71 -0.24 -0.91 -0.00 0.00 0.00 177.93 177.61 1pyp h ASN 223 N -0.51 -0.83 -0.47 3.26 2.35 -1.69 1.91 115.58 119.60 1pyp h ASN 223 Ca -0.00 0.18 0.14 0.00 -0.55 0.00 0.00 56.30 56.07 1pyp h ASN 223 Cb 0.71 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 1pyp h ASN 223 CO 0.02 -0.26 0.35 0.77 -1.65 0.00 0.00 177.43 176.66 1pyp h SER 224 N -0.13 0.00 0.66 5.81 4.64 -1.61 0.62 113.55 123.54 1pyp h SER 224 Ca 0.23 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.30 1pyp h SER 224 Cb 0.49 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 1pyp h SER 224 CO -0.57 0.00 -1.48 -0.25 -0.87 0.00 0.00 176.83 173.66 1pyp h TRP 225 N 0.00 0.00 0.25 4.77 7.01 0.75 -3.32 115.95 125.40 1pyp h TRP 225 Ca 0.22 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1pyp h TRP 225 Cb 0.92 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.98 1pyp h TRP 225 CO 0.00 0.90 -0.12 0.87 -2.79 0.00 0.00 178.44 177.30 1pyp h LYS 226 N 0.00 -0.33 0.00 2.65 1.57 0.57 -2.94 116.57 118.10 1pyp h LYS 226 Ca -0.20 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1pyp h LYS 226 Cb 1.86 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1pyp h LYS 226 CO 0.08 -0.06 0.07 1.04 -0.57 0.00 0.00 179.45 180.01 1pyp n GLN 227 N -5.00 0.00 -0.10 3.15 6.02 0.18 -0.66 117.38 120.97 1pyp n GLN 227 Ca -0.06 0.20 -0.20 0.00 -0.01 0.00 0.00 57.00 56.92 1pyp n GLN 227 Cb 0.21 -1.57 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 1pyp n GLN 227 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1pyp h LEU 228 N 0.00 0.00 -1.00 1.08 6.46 -1.63 -3.37 115.31 116.85 1pyp h LEU 228 Ca 0.00 -0.47 0.27 0.00 -0.12 0.00 0.00 57.88 57.57 1pyp h LEU 228 Cb 0.14 0.00 -0.19 0.00 -0.73 0.00 0.00 40.66 39.88 1pyp h LEU 228 CO 0.00 1.41 0.02 -0.38 -0.62 0.00 0.00 178.44 178.87 1pyp n ILE 229 N -4.45 -0.42 0.00 4.05 5.41 0.16 -2.16 119.36 121.95 1pyp n ILE 229 Ca -0.29 2.19 0.00 0.00 1.00 0.00 0.00 62.75 65.65 1pyp n ILE 229 Cb 0.64 -3.20 0.00 0.00 -0.71 0.00 0.00 39.64 36.37 1pyp n ILE 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pyp n ALA 230 N -3.16 0.00 0.00 -1.39 0.00 -1.23 -4.71 120.51 110.02 1pyp n ALA 230 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1pyp n ALA 230 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1pyp n ALA 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyp n GLY 231 N -0.63 -1.54 0.11 0.00 0.00 -0.92 -4.74 105.19 97.46 1pyp n GLY 231 Ca 0.00 0.56 0.09 0.00 0.00 0.00 0.00 46.02 46.66 1pyp n GLY 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pyp n LYS 232 N 0.00 0.61 0.00 1.61 5.02 -1.26 -4.64 118.16 119.50 1pyp n LYS 232 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1pyp n LYS 232 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 1pyp n LYS 232 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pyp n SER 233 N -2.71 0.00 -4.73 4.39 7.64 -1.26 -3.64 113.62 113.31 1pyp n SER 233 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 1pyp n SER 233 Cb 0.62 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 1pyp n SER 233 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pyp s SER 234 N -0.44 6.66 0.00 6.43 0.01 -1.26 -4.87 113.70 120.23 1pyp s SER 234 Ca 0.00 2.59 0.21 0.00 1.31 0.00 0.00 55.95 60.06 1pyp s SER 234 Cb 0.00 -2.61 0.92 0.00 0.21 0.00 0.00 66.02 64.54 1pyp s SER 234 CO 0.00 -0.74 1.66 0.47 0.41 0.00 0.00 173.24 175.05 1pyp n ASP 235 N 3.17 0.00 -3.48 2.44 8.00 -1.24 -4.17 116.55 121.28 1pyp n ASP 235 Ca 0.10 0.39 -0.29 0.00 0.71 0.00 0.00 54.79 55.70 1pyp n ASP 235 Cb 0.40 -0.46 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 1pyp n ASP 235 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1pyp s SER 236 N -2.91 2.97 -0.97 -2.24 0.01 -1.26 -5.04 113.70 104.25 1pyp s SER 236 Ca 0.12 -2.26 -0.03 0.00 1.31 0.00 0.00 55.95 55.09 1pyp s SER 236 Cb 0.14 -0.46 0.26 0.00 0.21 0.00 0.00 66.02 66.17 1pyp s SER 236 CO 0.36 -0.30 1.05 0.29 0.41 0.00 0.00 173.24 175.05 1pyp n LYS 237 N 3.95 3.34 -3.19 12.44 5.02 -1.26 -4.96 118.16 133.49 1pyp n LYS 237 Ca 0.12 -4.52 -0.45 0.00 -2.02 0.00 0.00 58.31 51.44 1pyp n LYS 237 Cb 0.37 -2.45 -0.01 0.00 -0.02 0.00 0.00 35.03 32.92 1pyp n LYS 237 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pyp s GLY 238 N -0.49 2.78 0.00 0.72 0.00 -1.26 -4.92 107.32 104.16 1pyp s GLY 238 Ca 0.31 -3.51 0.00 0.00 0.00 0.00 0.00 44.72 41.51 1pyp s GLY 238 CO -0.04 1.57 0.00 0.29 0.00 0.00 0.00 173.10 174.92 1pyp n ILE 239 N 3.72 0.00 -3.40 0.90 -5.35 -1.26 -4.88 119.36 109.09 1pyp n ILE 239 Ca 0.25 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.32 1pyp n ILE 239 Cb 0.43 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.23 1pyp n ILE 239 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1pyp s ASP 240 N 0.00 6.18 -0.10 7.28 2.15 -1.26 -4.92 116.67 126.00 1pyp s ASP 240 Ca 0.00 -0.26 0.02 0.00 0.43 0.00 0.00 52.55 52.74 1pyp s ASP 240 Cb 0.00 -2.20 -0.24 0.00 -0.30 0.00 0.00 42.92 40.18 1pyp s ASP 240 CO 0.00 -0.35 0.43 0.18 -0.17 0.00 0.00 175.17 175.26 1pyp n LEU 241 N 5.39 1.87 0.00 -1.34 4.32 -1.26 -4.82 117.00 121.16 1pyp n LEU 241 Ca -0.09 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1pyp n LEU 241 Cb 0.49 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1pyp n LEU 241 CO 0.41 0.67 0.00 0.41 -1.22 0.00 0.00 177.39 177.65 1pyp n THR 242 N -3.27 0.00 -3.63 -5.08 -1.04 -1.26 -4.90 114.28 95.10 1pyp n THR 242 Ca -0.27 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.60 1pyp n THR 242 Cb 1.05 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 69.43 1pyp n THR 242 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1pyp s ASN 243 N 0.00 0.49 0.00 8.00 0.01 0.24 -4.89 114.94 118.79 1pyp s ASN 243 Ca 0.00 0.47 0.12 0.00 -0.71 0.00 0.00 52.86 52.74 1pyp s ASN 243 Cb 0.00 0.66 0.36 0.00 0.41 0.00 0.00 41.25 42.68 1pyp s ASN 243 CO 0.00 -0.25 1.30 1.33 -1.51 0.00 0.00 177.10 177.96 1pyp n VAL 244 N 5.35 0.46 -0.55 1.60 0.24 -1.26 -3.38 118.33 120.79 1pyp n VAL 244 Ca -0.06 -0.48 0.07 0.00 -2.04 0.00 0.00 64.34 61.84 1pyp n VAL 244 Cb 0.50 0.26 0.22 0.00 -1.47 0.00 0.00 33.84 33.34 1pyp n VAL 244 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1pyp n THR 245 N 0.55 1.61 -3.04 3.34 -2.24 -1.26 -4.70 114.28 108.53 1pyp n THR 245 Ca 0.13 -1.37 -0.16 0.00 -2.27 0.00 0.00 64.05 60.38 1pyp n THR 245 Cb 0.31 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1pyp n THR 245 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pyp n LEU 246 N 0.17 -1.73 -0.38 3.22 4.32 -1.23 -4.96 117.00 116.41 1pyp n LEU 246 Ca 0.17 -3.79 0.00 0.00 -0.02 0.00 0.00 56.01 52.37 1pyp n LEU 246 Cb 0.66 0.69 0.00 0.00 -1.62 0.00 0.00 43.42 43.15 1pyp n LEU 246 CO 0.13 1.95 0.00 -0.81 -1.22 0.00 0.00 177.39 177.44 1pyp n PRO 247 N 2.37 0.00 -1.72 3.23 -0.04 -1.26 -1.42 135.00 136.16 1pyp n PRO 247 Ca 0.21 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.52 1pyp n PRO 247 Cb 0.54 -0.95 0.07 0.00 -0.04 0.00 0.00 33.50 33.12 1pyp n PRO 247 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pyp n ASP 248 N 0.22 3.89 -3.68 3.54 9.92 -1.26 -4.98 116.55 124.20 1pyp n ASP 248 Ca 0.00 -3.66 -0.11 0.00 -0.53 0.00 0.00 54.79 50.49 1pyp n ASP 248 Cb 0.00 -0.39 -0.11 0.00 -0.64 0.00 0.00 41.12 39.97 1pyp n ASP 248 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1pyp s THR 249 N -4.14 -0.29 0.00 -3.53 2.01 -0.50 -4.91 115.64 104.29 1pyp s THR 249 Ca 0.46 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1pyp s THR 249 Cb 0.39 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 72.36 1pyp s THR 249 CO 0.01 0.07 0.00 -0.81 -0.69 0.00 0.00 174.62 173.19 1pyp n PRO 250 N 4.81 0.00 -0.41 4.92 -0.04 -1.26 0.11 135.00 143.13 1pyp n PRO 250 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1pyp n PRO 250 Cb 0.52 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1pyp n PRO 250 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pyp n THR 251 N 1.57 0.00 -2.02 0.52 -2.24 -1.26 -4.99 114.28 105.86 1pyp n THR 251 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1pyp n THR 251 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1pyp n THR 251 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pyp n TYR 252 N 0.00 3.66 -2.86 4.78 9.36 0.12 0.79 117.16 133.00 1pyp n TYR 252 Ca 0.00 -2.94 -0.43 0.00 3.32 0.00 0.00 57.90 57.85 1pyp n TYR 252 Cb 0.58 -2.44 0.01 0.00 -0.63 0.00 0.00 39.34 36.86 1pyp n TYR 252 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1pyp n SER 253 N 6.02 6.44 0.00 2.98 2.88 -1.26 -4.79 113.62 125.89 1pyp n SER 253 Ca 0.49 -3.41 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 1pyp n SER 253 Cb 0.40 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1pyp n SER 253 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1pyp n LYS 254 N 1.42 0.00 0.00 -1.46 4.81 -1.26 0.20 118.16 121.87 1pyp n LYS 254 Ca 0.31 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.87 1pyp n LYS 254 Cb 0.32 -1.33 0.11 0.00 0.02 0.00 0.00 35.03 34.15 1pyp n LYS 254 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pyp n ALA 255 N -0.63 2.59 1.64 3.14 0.00 -1.26 -4.10 120.51 121.89 1pyp n ALA 255 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 53.44 52.79 1pyp n ALA 255 Cb 0.00 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 18.68 1pyp n ALA 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyp n ALA 256 N 1.14 2.48 -0.09 0.00 0.00 0.54 -3.56 120.51 121.02 1pyp n ALA 256 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1pyp n ALA 256 Cb 0.57 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1pyp n ALA 256 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pyp n SER 257 N -0.17 1.90 -0.34 0.00 7.64 -1.26 -4.11 113.62 117.29 1pyp n SER 257 Ca 0.04 0.42 0.07 0.00 1.01 0.00 0.00 58.87 60.41 1pyp n SER 257 Cb 0.10 -0.80 0.25 0.00 -1.01 0.00 0.00 64.21 62.75 1pyp n SER 257 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1pyp h ASP 258 N -1.00 0.90 -0.57 6.43 5.19 -1.84 -0.88 116.42 124.65 1pyp h ASP 258 Ca -0.11 0.04 0.10 0.00 -0.62 0.00 0.00 57.03 56.43 1pyp h ASP 258 Cb 0.97 -0.15 -0.08 0.00 0.18 0.00 0.00 39.33 40.25 1pyp h ASP 258 CO -0.07 0.50 0.14 0.00 -3.12 0.00 0.00 179.24 176.69 1pyp h ALA 259 N 1.54 0.68 -1.19 3.45 0.00 -1.77 -3.40 119.26 118.55 1pyp h ALA 259 Ca 0.47 0.11 -0.71 0.00 0.00 0.00 0.00 54.91 54.78 1pyp h ALA 259 Cb 0.44 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1pyp h ALA 259 CO -0.23 -0.29 1.20 -0.89 0.00 0.00 0.00 179.25 179.05 1pyp n ILE 260 N -5.10 0.24 -1.68 0.00 2.08 -0.34 -4.85 119.36 109.71 1pyp n ILE 260 Ca 0.08 -0.15 -0.38 0.00 0.56 0.00 0.00 62.75 62.86 1pyp n ILE 260 Cb 0.29 -1.38 0.04 0.00 -0.75 0.00 0.00 39.64 37.85 1pyp n ILE 260 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1pyp n PRO 261 N 6.99 1.33 -0.88 0.38 -0.04 -1.26 -4.92 135.00 136.60 1pyp n PRO 261 Ca 0.36 0.50 -0.33 0.00 -0.04 0.00 0.00 63.50 63.99 1pyp n PRO 261 Cb 0.16 -2.37 0.14 0.00 -0.04 0.00 0.00 33.50 31.39 1pyp n PRO 261 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1pyp n PRO 262 N -0.95 -0.16 -1.38 0.54 -0.04 -1.26 -4.92 135.00 126.82 1pyp n PRO 262 Ca 0.12 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.24 1pyp n PRO 262 Cb 0.45 -2.22 0.10 0.00 -0.04 0.00 0.00 33.50 31.78 1pyp n PRO 262 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pyp n ALA 263 N -3.66 0.35 -2.90 0.55 0.00 -1.26 -4.97 120.51 108.62 1pyp n ALA 263 Ca 0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1pyp n ALA 263 Cb 0.52 -2.25 0.01 0.00 0.00 0.00 0.00 19.45 17.73 1pyp n ALA 263 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pyp n SER 264 N -2.43 0.92 -4.69 0.00 7.64 -0.92 -4.96 113.62 109.17 1pyp n SER 264 Ca 0.14 -2.87 -0.44 0.00 1.01 0.00 0.00 58.87 56.71 1pyp n SER 264 Cb 0.49 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 1pyp n SER 264 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pyp n PRO 265 N 0.09 2.44 0.00 1.43 -0.04 0.46 0.28 135.00 139.65 1pyp n PRO 265 Ca 0.16 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1pyp n PRO 265 Cb 0.74 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1pyp n PRO 265 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pyp n LYS 266 N 3.83 0.00 -3.63 0.54 5.02 -1.26 -4.57 118.16 118.10 1pyp n LYS 266 Ca 0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.35 1pyp n LYS 266 Cb 0.32 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.26 1pyp n LYS 266 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pyp s ALA 267 N -3.01 -1.90 -0.32 7.82 0.00 -1.26 -4.92 121.76 118.17 1pyp s ALA 267 Ca 0.00 1.88 -0.40 0.00 0.00 0.00 0.00 51.96 53.44 1pyp s ALA 267 Cb 0.00 -1.25 -0.16 0.00 0.00 0.00 0.00 23.12 21.72 1pyp s ALA 267 CO 0.00 -0.28 1.81 -0.25 0.00 0.00 0.00 175.76 177.04 1pyp n ASP 268 N 2.22 2.20 -4.74 0.00 10.43 -1.25 -4.04 116.55 121.37 1pyp n ASP 268 Ca -0.13 0.98 -0.41 0.00 2.57 0.00 0.00 54.79 57.81 1pyp n ASP 268 Cb 0.56 -1.12 -0.04 0.00 1.84 0.00 0.00 41.12 42.35 1pyp n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pyp s ALA 269 N 4.12 3.36 0.43 2.24 0.00 -0.18 -4.98 121.76 126.74 1pyp s ALA 269 Ca 1.01 0.77 -0.25 0.00 0.00 0.00 0.00 51.96 53.49 1pyp s ALA 269 Cb -1.10 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 18.61 1pyp s ALA 269 CO 0.65 -0.10 1.30 -0.35 0.00 0.00 0.00 175.76 177.26 1pyp n PRO 270 N 2.02 2.00 -4.47 0.00 -0.04 -1.26 -4.69 135.00 128.56 1pyp n PRO 270 Ca 0.01 0.71 -0.34 0.00 -0.04 0.00 0.00 63.50 63.84 1pyp n PRO 270 Cb 0.46 -2.43 -0.11 0.00 -0.04 0.00 0.00 33.50 31.38 1pyp n PRO 270 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1pyp s ILE 271 N -1.20 3.95 0.20 0.52 -4.36 -1.26 -4.82 121.20 114.24 1pyp s ILE 271 Ca 0.61 -0.37 -0.30 0.00 -0.26 0.00 0.00 60.65 60.33 1pyp s ILE 271 Cb -0.50 -2.67 -0.16 0.00 1.25 0.00 0.00 42.46 40.38 1pyp s ILE 271 CO 0.58 0.56 0.89 -0.67 0.24 0.00 0.00 174.94 176.54 1pyp n ASP 272 N 2.69 0.31 0.00 4.36 2.03 -1.26 -4.75 116.55 119.93 1pyp n ASP 272 Ca -0.18 1.15 0.06 0.00 0.52 0.00 0.00 54.79 56.34 1pyp n ASP 272 Cb 0.53 -1.12 0.35 0.00 -0.72 0.00 0.00 41.12 40.16 1pyp n ASP 272 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pyp n LYS 273 N 1.16 0.33 -0.02 -0.67 5.02 -1.26 -2.26 118.16 120.46 1pyp n LYS 273 Ca 0.15 0.05 -0.06 0.00 -2.02 0.00 0.00 58.31 56.43 1pyp n LYS 273 Cb 0.25 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.91 1pyp n LYS 273 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1pyp h SER 274 N 0.00 0.59 0.00 4.39 0.02 -2.04 -3.38 113.55 113.13 1pyp h SER 274 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1pyp h SER 274 Cb 0.03 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1pyp h SER 274 CO 0.00 0.85 0.00 -0.38 -1.14 0.00 0.00 176.83 176.16 1pyp n ILE 275 N -4.09 0.00 -0.08 3.27 5.41 -0.96 -3.82 119.36 119.10 1pyp n ILE 275 Ca -0.01 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1pyp n ILE 275 Cb 0.45 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 1pyp n ILE 275 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1pyp n ASP 276 N 0.00 -0.04 -3.83 4.38 5.68 -1.26 -4.60 116.55 116.87 1pyp n ASP 276 Ca 0.00 -0.06 -0.26 0.00 -0.50 0.00 0.00 54.79 53.97 1pyp n ASP 276 Cb 0.00 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 39.81 1pyp n ASP 276 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1pyp s LYS 277 N 0.20 1.07 -0.87 0.11 2.20 -1.25 -5.07 119.74 116.14 1pyp s LYS 277 Ca 0.00 -0.27 -0.25 0.00 -0.36 0.00 0.00 55.97 55.09 1pyp s LYS 277 Cb 0.00 -1.65 0.03 0.00 -1.51 0.00 0.00 37.83 34.70 1pyp s LYS 277 CO 0.00 -0.40 1.43 -1.58 -0.36 0.00 0.00 175.35 174.44 1pyp s TRP 278 N 1.79 2.33 -0.45 4.03 0.51 -1.26 -3.04 118.94 122.85 1pyp s TRP 278 Ca 0.02 -0.32 -0.28 0.00 -2.12 0.00 0.00 56.10 53.40 1pyp s TRP 278 Cb -0.14 -4.60 0.03 0.00 -0.81 0.00 0.00 33.47 27.95 1pyp s TRP 278 CO -0.07 -2.01 1.07 -0.06 -0.51 0.00 0.00 176.95 175.37 1pyp s PHE 279 N 5.84 2.89 -0.63 -1.98 0.40 -1.25 -4.52 117.98 118.73 1pyp s PHE 279 Ca 0.44 0.70 -0.24 0.00 -0.60 0.00 0.00 56.93 57.22 1pyp s PHE 279 Cb -0.05 -4.20 0.05 0.00 0.51 0.00 0.00 43.02 39.33 1pyp s PHE 279 CO 0.03 -1.15 1.03 -0.06 0.70 0.00 0.00 175.22 175.77 1pyp s PHE 280 N 4.15 2.64 0.00 0.36 0.40 -1.26 -1.02 117.98 123.25 1pyp s PHE 280 Ca 0.45 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.60 1pyp s PHE 280 Cb -0.09 -4.29 0.00 0.00 0.51 0.00 0.00 43.02 39.16 1pyp s PHE 280 CO 0.28 -1.61 0.00 0.44 0.70 0.00 0.00 175.22 175.03