#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyg s VAL 21 N 0.00 4.83 -0.60 1.61 1.01 -1.26 -5.02 120.40 120.97 1pyg s VAL 21 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1pyg s VAL 21 Cb 0.00 -3.66 0.15 0.00 0.00 0.00 0.00 36.38 32.87 1pyg s VAL 21 CO 0.00 -0.30 0.47 -1.61 0.00 0.00 0.00 175.10 173.65 1pyg s GLU 22 N -3.97 2.75 -0.30 2.72 2.02 -1.26 -4.47 118.70 116.19 1pyg s GLU 22 Ca 0.35 -2.16 -0.14 0.00 0.02 0.00 0.00 54.97 53.05 1pyg s GLU 22 Cb -0.09 -3.98 0.17 0.00 0.10 0.00 0.00 34.13 30.33 1pyg s GLU 22 CO 0.28 -1.21 0.99 1.21 0.02 0.00 0.00 175.26 176.55 1pyg s ASN 23 N 1.96 -0.59 0.33 -0.19 2.47 -1.26 -5.07 114.94 112.59 1pyg s ASN 23 Ca 0.12 0.73 0.10 0.00 0.42 0.00 0.00 52.86 54.23 1pyg s ASN 23 Cb -0.21 1.64 0.99 0.00 -1.45 0.00 0.00 41.25 42.22 1pyg s ASN 23 CO -0.03 -0.11 1.60 0.58 -3.72 0.00 0.00 177.10 175.41 1pyg h VAL 24 N 5.49 0.09 -0.00 -5.21 2.07 -1.90 -2.01 116.25 114.77 1pyg h VAL 24 Ca -0.16 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1pyg h VAL 24 Cb 1.12 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1pyg h VAL 24 CO 0.07 0.01 -0.06 0.74 0.02 0.00 0.00 177.57 178.35 1pyg h THR 25 N 0.07 0.85 0.00 2.57 2.02 -1.97 -0.73 112.91 115.72 1pyg h THR 25 Ca 0.70 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.81 1pyg h THR 25 Cb 1.62 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1pyg h THR 25 CO -0.80 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 174.47 1pyg h GLU 26 N -0.10 0.00 -0.30 6.66 4.39 -1.68 -0.57 114.58 122.98 1pyg h GLU 26 Ca 0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1pyg h GLU 26 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1pyg h GLU 26 CO -0.06 0.30 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.01 1pyg h LEU 27 N 0.00 0.52 -0.55 1.33 -0.00 -1.12 0.09 115.31 115.58 1pyg h LEU 27 Ca -0.00 -0.31 -0.12 0.00 -0.00 0.00 0.00 57.88 57.44 1pyg h LEU 27 Cb 0.65 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1pyg h LEU 27 CO 0.04 0.71 -0.19 0.11 -0.00 0.00 0.00 178.44 179.11 1pyg h LYS 28 N 0.33 0.97 -0.54 1.13 1.57 -0.87 0.93 116.57 120.08 1pyg h LYS 28 Ca 0.09 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1pyg h LYS 28 Cb 0.44 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1pyg h LYS 28 CO 0.02 1.07 0.20 -0.22 -0.57 0.00 0.00 179.45 179.95 1pyg h LYS 29 N 0.85 0.82 0.00 3.15 3.64 -0.78 -2.08 116.57 122.17 1pyg h LYS 29 Ca 0.12 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1pyg h LYS 29 Cb 0.75 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1pyg h LYS 29 CO 0.06 0.72 -0.51 -0.91 -2.27 0.00 0.00 179.45 176.55 1pyg h ASN 30 N 0.74 0.00 0.07 4.20 2.35 -0.90 -1.01 115.58 121.03 1pyg h ASN 30 Ca 0.18 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1pyg h ASN 30 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1pyg h ASN 30 CO -0.01 0.51 -0.09 0.15 -1.65 0.00 0.00 177.43 176.34 1pyg h PHE 31 N 0.00 -0.22 -0.37 1.19 3.04 -0.39 -0.81 116.94 119.38 1pyg h PHE 31 Ca -0.01 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1pyg h PHE 31 Cb 1.26 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.84 1pyg h PHE 31 CO 0.00 -0.14 0.11 -0.91 -2.02 0.00 0.00 178.31 175.35 1pyg h ASN 32 N -0.19 0.54 -1.00 0.41 2.35 -1.11 -1.20 115.58 115.39 1pyg h ASN 32 Ca 0.01 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.57 1pyg h ASN 32 Cb 0.19 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1pyg h ASN 32 CO -0.04 0.61 0.66 -0.09 -1.65 0.00 0.00 177.43 176.93 1pyg h ARG 33 N 0.44 1.29 -0.27 0.81 2.43 -1.05 -2.24 114.38 115.79 1pyg h ARG 33 Ca 0.12 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 1pyg h ARG 33 Cb 0.27 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1pyg h ARG 33 CO -0.00 0.85 -0.43 0.45 -1.51 0.00 0.00 179.97 179.33 1pyg h HIS 34 N 1.33 0.81 -0.58 2.20 3.86 -0.42 0.99 115.15 123.34 1pyg h HIS 34 Ca 0.38 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1pyg h HIS 34 Cb -0.10 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 1pyg h HIS 34 CO -0.00 0.99 0.04 1.25 0.86 0.00 0.00 177.93 181.06 1pyg h LEU 35 N 0.54 0.94 0.00 2.43 5.85 -0.91 -0.93 115.31 123.23 1pyg h LEU 35 Ca 0.04 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1pyg h LEU 35 Cb 0.97 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1pyg h LEU 35 CO 0.09 0.97 -0.79 1.41 -0.34 0.00 0.00 178.44 179.78 1pyg n HIS 36 N -4.20 0.96 0.13 1.25 8.25 -0.87 -2.08 115.22 118.66 1pyg n HIS 36 Ca 0.03 0.42 -0.21 0.00 -0.26 0.00 0.00 57.72 57.70 1pyg n HIS 36 Cb 0.31 -0.89 -0.15 0.00 1.12 0.00 0.00 29.99 30.38 1pyg n HIS 36 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1pyg h PHE 37 N -1.00 0.82 0.14 4.41 0.04 -0.92 -0.72 116.94 119.71 1pyg h PHE 37 Ca -0.13 -0.59 -0.31 0.00 2.80 0.00 0.00 57.97 59.74 1pyg h PHE 37 Cb 0.80 -0.04 0.03 0.00 2.20 0.00 0.00 35.95 38.94 1pyg h PHE 37 CO -0.10 1.46 -1.29 1.15 -0.60 0.00 0.00 178.31 178.92 1pyg h THR 38 N 0.13 1.28 0.00 -1.55 2.02 -1.32 -3.36 112.91 110.12 1pyg h THR 38 Ca -0.21 -2.51 -0.05 0.00 0.77 0.00 0.00 66.41 64.42 1pyg h THR 38 Cb 2.08 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 71.23 1pyg h THR 38 CO 0.25 0.76 -1.88 0.18 0.37 0.00 0.00 175.52 175.20 1pyg n LEU 39 N -3.77 0.15 -3.44 2.58 4.77 -0.45 -5.00 117.00 111.85 1pyg n LEU 39 Ca -0.14 0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 1pyg n LEU 39 Cb 1.01 0.05 0.06 0.00 -2.33 0.00 0.00 43.42 42.21 1pyg n LEU 39 CO 0.59 0.03 -0.00 0.52 -1.33 0.00 0.00 177.39 177.20 1pyg n VAL 40 N -2.40 -7.48 -4.34 4.08 0.31 -0.28 -5.00 118.33 103.22 1pyg n VAL 40 Ca -0.07 -1.08 -0.18 0.00 -0.01 0.00 0.00 64.34 63.00 1pyg n VAL 40 Cb 0.64 -5.49 -0.05 0.00 -0.91 0.00 0.00 33.84 28.03 1pyg n VAL 40 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1pyg n LYS 41 N -3.69 0.66 -3.59 5.55 3.00 -0.88 -5.03 118.16 114.17 1pyg n LYS 41 Ca -0.12 -2.43 -0.13 0.00 -0.00 0.00 0.00 58.31 55.63 1pyg n LYS 41 Cb 0.62 1.37 -0.05 0.00 0.00 0.00 0.00 35.03 36.97 1pyg n LYS 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1pyg s ASP 42 N -2.76 -0.37 0.65 3.14 -1.08 -1.26 -4.15 116.67 110.84 1pyg s ASP 42 Ca 0.16 0.02 0.42 0.00 -0.52 0.00 0.00 52.55 52.63 1pyg s ASP 42 Cb 0.01 0.48 2.27 0.00 -1.46 0.00 0.00 42.92 44.22 1pyg s ASP 42 CO 0.11 -0.75 2.28 -0.09 0.52 0.00 0.00 175.17 177.23 1pyg h ARG 43 N 2.69 0.00 0.00 4.34 2.43 -1.97 -2.23 114.38 119.64 1pyg h ARG 43 Ca -0.32 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.74 1pyg h ARG 43 Cb 1.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1pyg h ARG 43 CO 0.43 0.00 -1.26 -0.91 -1.51 0.00 0.00 179.97 176.72 1pyg h ASN 44 N 0.00 0.00 -0.00 -3.80 2.35 -2.05 -3.37 115.58 108.70 1pyg h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pyg h ASN 44 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1pyg h ASN 44 CO 0.00 0.38 -0.10 1.33 -1.65 0.00 0.00 177.43 177.39 1pyg n VAL 45 N -2.82 0.00 -2.33 2.81 0.24 -1.11 -5.03 118.33 110.09 1pyg n VAL 45 Ca -0.06 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.34 61.43 1pyg n VAL 45 Cb 0.74 1.06 -0.01 0.00 -1.47 0.00 0.00 33.84 34.16 1pyg n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pyg s ALA 46 N -0.87 2.86 0.30 2.33 0.00 -0.86 -4.93 121.76 120.59 1pyg s ALA 46 Ca 0.04 0.83 0.09 0.00 0.00 0.00 0.00 51.96 52.91 1pyg s ALA 46 Cb 0.04 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1pyg s ALA 46 CO 0.12 -0.61 0.09 0.95 0.00 0.00 0.00 175.76 176.31 1pyg s THR 47 N -1.70 3.37 0.16 0.00 -4.23 -1.26 -5.00 115.64 106.98 1pyg s THR 47 Ca 0.67 -1.76 -0.16 0.00 -1.18 0.00 0.00 61.69 59.27 1pyg s THR 47 Cb -0.24 -2.97 0.13 0.00 1.34 0.00 0.00 72.50 70.75 1pyg s THR 47 CO 0.29 -0.28 1.18 -2.65 -0.54 0.00 0.00 174.62 172.61 1pyg n PRO 48 N -1.04 -0.21 -0.29 3.99 -0.02 -1.26 -0.95 135.00 135.21 1pyg n PRO 48 Ca -0.05 1.16 0.10 0.00 -2.02 0.00 0.00 63.50 62.69 1pyg n PRO 48 Cb 0.60 -1.72 0.25 0.00 -0.02 0.00 0.00 33.50 32.61 1pyg n PRO 48 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1pyg h ARG 49 N 0.00 0.39 -0.56 -0.52 2.43 -1.96 0.88 114.38 115.03 1pyg h ARG 49 Ca 0.23 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1pyg h ARG 49 Cb 0.42 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1pyg h ARG 49 CO -0.74 0.26 0.14 -0.44 -1.51 0.00 0.00 179.97 177.68 1pyg h ASP 50 N 0.40 0.84 0.43 -3.80 3.32 -1.44 -0.67 116.42 115.50 1pyg h ASP 50 Ca 0.50 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 1pyg h ASP 50 Cb 0.88 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1pyg h ASP 50 CO -0.49 0.85 -0.34 1.88 -1.72 0.00 0.00 179.24 179.41 1pyg h TYR 51 N 0.79 0.00 -0.23 4.55 0.05 -0.47 -2.12 116.97 119.55 1pyg h TYR 51 Ca 0.18 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 1pyg h TYR 51 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1pyg h TYR 51 CO 0.02 0.34 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.53 1pyg h TYR 52 N 0.00 0.46 -0.72 4.88 3.20 0.59 -2.32 116.97 123.05 1pyg h TYR 52 Ca -0.00 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 1pyg h TYR 52 Cb 0.65 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1pyg h TYR 52 CO 0.00 0.62 0.35 0.74 -1.64 0.00 0.00 178.16 178.23 1pyg h PHE 53 N 0.17 1.03 -0.14 -3.82 0.04 -0.93 0.12 116.94 113.41 1pyg h PHE 53 Ca 0.06 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1pyg h PHE 53 Cb 0.45 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1pyg h PHE 53 CO 0.04 0.75 -0.27 0.00 -0.60 0.00 0.00 178.31 178.23 1pyg h ALA 54 N 1.35 1.29 0.09 2.45 0.00 -1.30 0.15 119.26 123.29 1pyg h ALA 54 Ca 0.25 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pyg h ALA 54 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pyg h ALA 54 CO -0.03 0.48 -0.04 1.25 0.00 0.00 0.00 179.25 180.91 1pyg h LEU 55 N 0.23 -0.10 -0.95 0.00 5.85 -0.79 -1.71 115.31 117.84 1pyg h LEU 55 Ca 0.04 -0.39 0.10 0.00 0.84 0.00 0.00 57.88 58.47 1pyg h LEU 55 Cb 0.60 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 1pyg h LEU 55 CO 0.04 0.36 0.59 0.00 -0.34 0.00 0.00 178.44 179.09 1pyg h ALA 56 N 0.25 1.39 -0.07 1.25 0.00 -0.52 0.61 119.26 122.18 1pyg h ALA 56 Ca -0.01 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1pyg h ALA 56 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pyg h ALA 56 CO 0.02 0.22 -0.68 0.45 0.00 0.00 0.00 179.25 179.26 1pyg h HIS 57 N 0.96 0.40 -0.42 0.00 3.86 -0.73 0.06 115.15 119.28 1pyg h HIS 57 Ca 0.46 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.51 1pyg h HIS 57 Cb 0.40 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1pyg h HIS 57 CO -0.02 0.89 0.27 1.15 0.86 0.00 0.00 177.93 181.08 1pyg h THR 58 N 0.21 1.09 -0.10 2.45 2.02 0.04 -2.71 112.91 115.91 1pyg h THR 58 Ca -0.02 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1pyg h THR 58 Cb 1.22 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1pyg h THR 58 CO 0.11 0.10 -0.22 0.58 0.37 0.00 0.00 175.52 176.46 1pyg h VAL 59 N 0.56 1.39 -0.58 3.16 2.07 -1.17 -3.01 116.25 118.67 1pyg h VAL 59 Ca 0.16 -1.52 0.17 0.00 0.82 0.00 0.00 66.70 66.33 1pyg h VAL 59 Cb -0.05 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1pyg h VAL 59 CO -0.05 0.44 0.50 -0.09 0.02 0.00 0.00 177.57 178.40 1pyg h ARG 60 N -0.10 0.00 0.22 1.57 2.43 -0.83 0.22 114.38 117.89 1pyg h ARG 60 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1pyg h ARG 60 Cb 0.82 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 1pyg h ARG 60 CO 0.05 0.00 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.75 1pyg h ASP 61 N 0.00 -0.90 -0.57 -3.80 3.32 -1.34 -0.97 116.42 112.17 1pyg h ASP 61 Ca 0.28 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1pyg h ASP 61 Cb 1.28 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 41.13 1pyg h ASP 61 CO -0.00 -0.43 0.36 0.45 -1.72 0.00 0.00 179.24 177.90 1pyg h HIS 62 N -0.61 0.74 -0.51 4.55 3.86 -0.68 0.18 115.15 122.68 1pyg h HIS 62 Ca 0.01 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 1pyg h HIS 62 Cb 0.59 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1pyg h HIS 62 CO -0.24 0.49 -0.08 1.25 0.86 0.00 0.00 177.93 180.21 1pyg h LEU 63 N 0.79 0.92 -0.32 2.43 5.85 -1.18 -3.20 115.31 120.60 1pyg h LEU 63 Ca 0.21 -0.28 -0.20 0.00 0.84 0.00 0.00 57.88 58.45 1pyg h LEU 63 Cb -0.05 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 1pyg h LEU 63 CO -0.04 1.03 -0.76 0.58 -0.34 0.00 0.00 178.44 178.90 1pyg h VAL 64 N 0.84 1.35 -0.56 1.05 2.07 0.38 -1.28 116.25 120.10 1pyg h VAL 64 Ca 0.14 -2.13 0.11 0.00 0.82 0.00 0.00 66.70 65.65 1pyg h VAL 64 Cb 0.61 2.11 -0.10 0.00 -1.52 0.00 0.00 31.29 32.39 1pyg h VAL 64 CO 0.04 0.65 -0.04 1.23 0.02 0.00 0.00 177.57 179.47 1pyg h GLY 65 N 1.10 0.54 1.32 2.17 0.00 -1.33 -0.87 103.07 106.00 1pyg h GLY 65 Ca -0.04 0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 1pyg h GLY 65 CO 0.14 -0.19 -0.66 3.21 0.00 0.00 0.00 176.54 179.04 1pyg h ARG 66 N 0.08 0.69 -0.01 4.80 3.08 -1.54 -3.10 114.38 118.39 1pyg h ARG 66 Ca 0.29 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 59.86 1pyg h ARG 66 Cb 0.45 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1pyg h ARG 66 CO -0.51 1.12 -0.12 2.35 -1.07 0.00 0.00 179.97 181.74 1pyg h TRP 67 N 0.50 -0.30 -0.16 3.04 7.01 -0.45 -2.07 115.95 123.53 1pyg h TRP 67 Ca -0.02 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1pyg h TRP 67 Cb 1.25 0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 28.42 1pyg h TRP 67 CO 0.07 -0.18 0.02 0.82 -2.79 0.00 0.00 178.44 176.38 1pyg h ILE 68 N -0.19 0.92 0.00 2.65 2.04 -1.18 -2.32 117.51 119.43 1pyg h ILE 68 Ca 0.05 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1pyg h ILE 68 Cb 0.25 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1pyg h ILE 68 CO -0.12 0.01 -0.33 0.03 0.00 0.00 0.00 178.15 177.74 1pyg h ARG 69 N 0.08 0.00 0.31 2.37 3.08 -1.51 -1.37 114.38 117.34 1pyg h ARG 69 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1pyg h ARG 69 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1pyg h ARG 69 CO -0.10 0.33 -0.15 1.15 -1.07 0.00 0.00 179.97 180.13 1pyg h THR 70 N 0.00 0.72 -0.33 2.04 2.02 -1.11 -1.95 112.91 114.30 1pyg h THR 70 Ca -0.00 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1pyg h THR 70 Cb 0.62 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1pyg h THR 70 CO 0.04 0.07 -0.00 1.56 0.37 0.00 0.00 175.52 177.57 1pyg h GLN 71 N -0.61 0.51 -0.00 6.66 1.08 -1.24 -0.46 115.11 121.04 1pyg h GLN 71 Ca -0.04 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1pyg h GLN 71 Cb 0.44 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1pyg h GLN 71 CO 0.07 0.54 0.00 1.96 -0.95 0.00 0.00 178.83 180.45 1pyg h GLN 72 N 0.49 0.00 -0.99 1.46 4.20 -1.22 -2.92 115.11 116.14 1pyg h GLN 72 Ca 0.11 -0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.98 1pyg h GLN 72 Cb 0.32 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 1pyg h GLN 72 CO 0.01 0.25 0.62 1.25 -0.67 0.00 0.00 178.83 180.29 1pyg h HIS 73 N -0.25 1.02 -0.68 2.96 2.76 -0.41 0.39 115.15 120.94 1pyg h HIS 73 Ca 0.00 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 1pyg h HIS 73 Cb 0.25 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 1pyg h HIS 73 CO 0.01 0.30 0.16 1.88 -1.30 0.00 0.00 177.93 178.99 1pyg h TYR 74 N 0.80 1.14 0.00 5.26 0.05 -0.96 -1.57 116.97 121.69 1pyg h TYR 74 Ca 0.53 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 59.16 1pyg h TYR 74 Cb 0.78 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 1pyg h TYR 74 CO -0.00 0.93 -0.08 1.88 -1.05 0.00 0.00 178.16 179.84 1pyg h TYR 75 N 1.03 0.00 0.01 4.88 0.05 -0.80 0.23 116.97 122.38 1pyg h TYR 75 Ca 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 1pyg h TYR 75 Cb 0.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1pyg h TYR 75 CO 0.03 0.08 -0.00 1.49 -1.05 0.00 0.00 178.16 178.70 1pyg h GLU 76 N 0.00 -0.01 0.00 4.88 4.81 -0.91 -3.33 114.58 120.02 1pyg h GLU 76 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1pyg h GLU 76 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1pyg h GLU 76 CO 0.01 0.73 -0.48 0.87 -0.73 0.00 0.00 179.01 179.40 1pyg h LYS 77 N -0.97 0.00 -6.07 1.92 6.56 -1.03 -3.48 116.57 113.49 1pyg h LYS 77 Ca -0.00 0.00 -0.38 0.00 -1.06 0.00 0.00 60.65 59.21 1pyg h LYS 77 Cb 0.75 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 32.50 1pyg h LYS 77 CO 0.00 0.48 -0.88 -3.47 -2.06 0.00 0.00 179.45 173.53 1pyg n ASP 78 N -3.75 -5.70 -4.15 0.86 2.03 0.79 -5.00 116.55 101.63 1pyg n ASP 78 Ca -0.01 -0.91 -0.29 0.00 0.52 0.00 0.00 54.79 54.10 1pyg n ASP 78 Cb 0.54 -3.72 0.18 0.00 -0.72 0.00 0.00 41.12 37.40 1pyg n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1pyg s PRO 79 N -5.49 0.67 0.07 -0.67 0.04 -1.26 -5.00 135.00 123.37 1pyg s PRO 79 Ca 0.42 -0.51 -0.28 0.00 0.04 0.00 0.00 61.00 60.67 1pyg s PRO 79 Cb -0.13 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1pyg s PRO 79 CO 0.84 -2.36 0.89 0.21 0.04 0.00 0.00 177.00 176.62 1pyg s LYS 80 N -5.83 4.61 -0.15 4.56 2.20 -1.26 -4.88 119.74 118.99 1pyg s LYS 80 Ca 0.74 1.31 -0.07 0.00 -0.36 0.00 0.00 55.97 57.59 1pyg s LYS 80 Cb -0.04 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1pyg s LYS 80 CO 0.52 0.20 0.09 1.03 -0.36 0.00 0.00 175.35 176.83 1pyg s ARG 81 N 0.14 3.71 -0.19 4.03 0.52 0.02 -4.53 118.95 122.65 1pyg s ARG 81 Ca 0.45 -0.26 -0.11 0.00 -0.52 0.00 0.00 55.73 55.29 1pyg s ARG 81 Cb -0.22 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.01 1pyg s ARG 81 CO 0.27 0.50 0.15 0.42 0.02 0.00 0.00 175.30 176.66 1pyg s ILE 82 N -0.25 5.40 -0.25 1.52 1.09 -0.48 -1.28 121.20 126.94 1pyg s ILE 82 Ca 0.09 0.24 -0.03 0.00 -1.10 0.00 0.00 60.65 59.85 1pyg s ILE 82 Cb -0.12 -3.49 0.02 0.00 -1.06 0.00 0.00 42.46 37.81 1pyg s ILE 82 CO 0.01 0.43 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.94 1pyg s TYR 83 N 0.37 3.06 -0.56 3.97 2.02 0.76 -0.75 117.35 126.22 1pyg s TYR 83 Ca 0.09 -1.32 -0.16 0.00 -0.37 0.00 0.00 57.07 55.31 1pyg s TYR 83 Cb -0.11 -2.11 0.13 0.00 -0.40 0.00 0.00 41.96 39.47 1pyg s TYR 83 CO -0.01 -0.66 0.53 -0.47 -1.57 0.00 0.00 175.55 173.37 1pyg s TYR 84 N 1.39 3.25 0.10 2.71 6.14 -0.09 -0.42 117.35 130.44 1pyg s TYR 84 Ca 0.02 -1.30 -0.17 0.00 0.64 0.00 0.00 57.07 56.26 1pyg s TYR 84 Cb -0.16 -3.82 -0.07 0.00 0.42 0.00 0.00 41.96 38.33 1pyg s TYR 84 CO -0.03 -1.04 0.55 -0.51 0.64 0.00 0.00 175.55 175.16 1pyg s LEU 85 N 1.62 4.44 -0.27 6.97 1.02 -0.94 -0.79 118.68 130.73 1pyg s LEU 85 Ca 0.05 1.16 -0.25 0.00 0.02 0.00 0.00 54.13 55.11 1pyg s LEU 85 Cb -0.28 -3.05 0.08 0.00 0.02 0.00 0.00 46.19 42.95 1pyg s LEU 85 CO 0.03 0.20 0.76 -0.55 0.02 0.00 0.00 176.35 176.81 1pyg s SER 86 N -1.39 -0.72 -0.04 2.29 0.15 -1.09 -3.30 113.70 109.60 1pyg s SER 86 Ca 0.33 1.37 0.11 0.00 0.70 0.00 0.00 55.95 58.45 1pyg s SER 86 Cb -0.17 1.39 0.38 0.00 -1.71 0.00 0.00 66.02 65.91 1pyg s SER 86 CO 0.19 -0.24 1.25 0.18 1.20 0.00 0.00 173.24 175.82 1pyg n LEU 87 N 2.68 2.63 -3.64 3.45 4.32 -1.26 -4.36 117.00 120.83 1pyg n LEU 87 Ca -0.14 -1.32 -0.10 0.00 -0.02 0.00 0.00 56.01 54.43 1pyg n LEU 87 Cb 0.55 -0.38 -0.07 0.00 -1.62 0.00 0.00 43.42 41.90 1pyg n LEU 87 CO 0.03 0.51 0.62 -1.83 -1.22 0.00 0.00 177.39 175.49 1pyg s GLU 88 N -1.63 0.60 -0.15 3.23 -1.05 -1.26 -4.88 118.70 113.55 1pyg s GLU 88 Ca 0.28 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.86 1pyg s GLU 88 Cb 0.17 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 34.15 1pyg s GLU 88 CO 0.15 -0.08 -0.10 -0.06 0.95 0.00 0.00 175.26 176.12 1pyg s PHE 89 N 0.50 1.95 -1.20 4.83 0.40 -0.78 -4.21 117.98 119.47 1pyg s PHE 89 Ca -0.00 -1.14 -0.09 0.00 -0.60 0.00 0.00 56.93 55.11 1pyg s PHE 89 Cb -0.05 -1.46 0.22 0.00 0.51 0.00 0.00 43.02 42.24 1pyg s PHE 89 CO -0.06 -0.63 1.64 0.98 0.70 0.00 0.00 175.22 177.85 1pyg n TYR 90 N 4.82 3.24 0.15 0.36 4.19 -0.67 -3.22 117.16 126.03 1pyg n TYR 90 Ca -0.15 -2.91 0.02 0.00 3.31 0.00 0.00 57.90 58.18 1pyg n TYR 90 Cb 0.49 -1.77 0.37 0.00 0.49 0.00 0.00 39.34 38.92 1pyg n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 1pyg h MET 91 N 5.94 0.14 0.00 2.98 2.86 -1.86 -3.41 114.93 121.57 1pyg h MET 91 Ca 0.31 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1pyg h MET 91 Cb 0.68 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1pyg h MET 91 CO 1.44 0.38 0.00 0.41 1.06 0.00 0.00 176.91 180.20 1pyg n GLY 92 N -0.68 0.37 3.06 8.32 0.00 -1.26 -4.77 105.19 110.23 1pyg n GLY 92 Ca -0.01 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 1pyg n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyg s ARG 93 N 0.00 2.19 0.19 1.61 0.52 -1.26 -0.20 118.95 122.00 1pyg s ARG 93 Ca 0.00 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 54.71 1pyg s ARG 93 Cb 0.00 -1.84 0.07 0.00 0.52 0.00 0.00 34.95 33.70 1pyg s ARG 93 CO 0.00 -0.04 1.44 1.15 0.02 0.00 0.00 175.30 177.87 1pyg h THR 94 N 5.95 1.52 -0.32 0.02 2.02 -1.87 -3.39 112.91 116.84 1pyg h THR 94 Ca -0.30 -2.60 0.07 0.00 0.77 0.00 0.00 66.41 64.35 1pyg h THR 94 Cb 1.18 2.42 -0.07 0.00 -1.74 0.00 0.00 68.15 69.94 1pyg h THR 94 CO 0.49 0.75 -0.16 0.25 0.37 0.00 0.00 175.52 177.21 1pyg h LEU 95 N 0.06 -0.55 -0.15 2.58 5.85 -1.97 -1.70 115.31 119.43 1pyg h LEU 95 Ca -0.02 0.13 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 1pyg h LEU 95 Cb 1.42 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1pyg h LEU 95 CO 0.12 -0.20 -0.97 -0.61 -0.34 0.00 0.00 178.44 176.43 1pyg h GLN 96 N -0.12 0.18 -0.56 1.25 4.15 -1.98 -1.14 115.11 116.88 1pyg h GLN 96 Ca 0.16 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 1pyg h GLN 96 Cb 0.37 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1pyg h GLN 96 CO -0.40 1.02 0.07 -0.97 -1.93 0.00 0.00 178.83 176.62 1pyg h ASN 97 N 0.08 0.88 0.12 -0.69 -1.24 -1.67 0.12 115.58 113.18 1pyg h ASN 97 Ca -0.06 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 56.75 1pyg h ASN 97 Cb 1.65 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.46 1pyg h ASN 97 CO 0.15 0.90 -0.06 0.74 -1.29 0.00 0.00 177.43 177.87 1pyg h THR 98 N 0.87 0.93 -0.49 -3.57 2.02 -1.18 -0.70 112.91 110.79 1pyg h THR 98 Ca 0.17 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1pyg h THR 98 Cb 0.42 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1pyg h THR 98 CO 0.01 0.05 0.19 0.24 0.37 0.00 0.00 175.52 176.38 1pyg h MET 99 N -0.25 0.37 0.09 6.66 2.86 -0.81 -0.02 114.93 123.84 1pyg h MET 99 Ca -0.02 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1pyg h MET 99 Cb 0.20 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1pyg h MET 99 CO 0.03 0.25 -0.05 0.28 1.06 0.00 0.00 176.91 178.48 1pyg h VAL 100 N 0.38 0.96 0.00 -2.22 2.07 -0.96 0.05 116.25 116.53 1pyg h VAL 100 Ca 0.23 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1pyg h VAL 100 Cb 0.22 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1pyg h VAL 100 CO -0.22 0.04 -0.20 0.78 0.02 0.00 0.00 177.57 178.00 1pyg h ASN 101 N -0.21 0.00 -0.52 0.57 4.21 -0.87 -2.55 115.58 116.22 1pyg h ASN 101 Ca -0.01 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.45 1pyg h ASN 101 Cb 0.17 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.34 1pyg h ASN 101 CO 0.02 0.20 0.05 0.18 -1.29 0.00 0.00 177.43 176.59 1pyg n LEU 102 N -3.99 5.31 -2.57 1.61 4.32 -0.04 -0.80 117.00 120.84 1pyg n LEU 102 Ca -0.02 -3.04 -0.08 0.00 -0.02 0.00 0.00 56.01 52.85 1pyg n LEU 102 Cb 0.28 -0.66 -0.00 0.00 -1.62 0.00 0.00 43.42 41.41 1pyg n LEU 102 CO 0.34 0.69 -0.08 0.00 -1.22 0.00 0.00 177.39 177.13 1pyg n ALA 103 N 0.13 -0.90 0.25 -1.18 0.00 -0.67 -4.83 120.51 113.31 1pyg n ALA 103 Ca 0.29 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.88 1pyg n ALA 103 Cb 1.16 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 19.31 1pyg n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pyg n LEU 104 N -2.75 0.26 -0.21 0.00 4.77 -0.09 -4.69 117.00 114.30 1pyg n LEU 104 Ca -0.07 -0.14 0.02 0.00 -0.03 0.00 0.00 56.01 55.80 1pyg n LEU 104 Cb 0.55 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.77 1pyg n LEU 104 CO 0.13 0.07 0.90 -0.08 -1.33 0.00 0.00 177.39 177.08 1pyg h GLU 105 N 0.00 0.22 -0.53 3.23 4.81 -1.87 0.93 114.58 121.37 1pyg h GLU 105 Ca 0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1pyg h GLU 105 Cb 0.82 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1pyg h GLU 105 CO 0.00 0.15 0.01 -0.91 -0.73 0.00 0.00 179.01 177.52 1pyg h ASN 106 N 0.23 0.86 -0.28 1.04 -0.26 -1.93 0.21 115.58 115.45 1pyg h ASN 106 Ca 0.35 -0.22 -0.19 0.00 -0.56 0.00 0.00 56.30 55.68 1pyg h ASN 106 Cb 0.55 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 1pyg h ASN 106 CO -0.47 0.92 -0.55 0.00 -1.06 0.00 0.00 177.43 176.27 1pyg h ALA 107 N 1.18 0.47 -0.33 -0.83 0.00 -1.49 0.20 119.26 118.46 1pyg h ALA 107 Ca 0.16 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1pyg h ALA 107 Cb 0.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1pyg h ALA 107 CO 0.02 0.68 0.10 0.00 0.00 0.00 0.00 179.25 180.05 1pyg h ASP 109 N 0.47 0.74 0.13 0.00 3.58 0.57 -2.50 116.42 119.41 1pyg h ASP 109 Ca 0.11 -0.61 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 1pyg h ASP 109 Cb 0.16 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 1pyg h ASP 109 CO -0.01 1.23 -0.08 -0.33 -2.88 0.00 0.00 179.24 177.18 1pyg h GLU 110 N 0.30 -0.19 -0.33 0.28 4.39 -0.09 -2.19 114.58 116.76 1pyg h GLU 110 Ca -0.03 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.75 1pyg h GLU 110 Cb 1.19 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.81 1pyg h GLU 110 CO 0.12 -0.13 -0.11 0.00 -1.16 0.00 0.00 179.01 177.73 1pyg h ALA 111 N 0.68 0.18 -0.44 3.43 0.00 -1.05 0.30 119.26 122.35 1pyg h ALA 111 Ca -0.01 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1pyg h ALA 111 Cb 0.16 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1pyg h ALA 111 CO 0.02 -0.49 -0.10 1.15 0.00 0.00 0.00 179.25 179.83 1pyg h THR 112 N -0.04 1.27 0.00 0.00 2.02 -1.47 -2.29 112.91 112.41 1pyg h THR 112 Ca 0.16 -1.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.07 1pyg h THR 112 Cb 0.29 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1pyg h THR 112 CO -0.36 0.41 -0.34 1.88 0.37 0.00 0.00 175.52 177.48 1pyg h TYR 113 N 0.67 0.00 0.00 3.16 -1.99 -0.63 0.87 116.97 119.05 1pyg h TYR 113 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1pyg h TYR 113 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.36 1pyg h TYR 113 CO 0.05 0.34 0.00 1.04 -0.00 0.00 0.00 178.16 179.59 1pyg n GLN 114 N -3.32 0.21 -0.15 4.88 6.02 0.96 -1.64 117.38 124.33 1pyg n GLN 114 Ca 0.01 0.38 0.10 0.00 -0.01 0.00 0.00 57.00 57.48 1pyg n GLN 114 Cb 0.57 -1.86 0.18 0.00 1.02 0.00 0.00 30.24 30.15 1pyg n GLN 114 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pyg n LEU 115 N -2.25 3.15 -0.05 1.08 4.77 -0.60 -4.97 117.00 118.14 1pyg n LEU 115 Ca 0.03 -1.48 -0.00 0.00 -0.03 0.00 0.00 56.01 54.52 1pyg n LEU 115 Cb 0.27 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1pyg n LEU 115 CO 0.22 0.68 -0.01 0.61 -1.33 0.00 0.00 177.39 177.56 1pyg n GLY 116 N 1.22 0.36 3.48 -0.72 0.00 -0.65 -5.06 105.19 103.81 1pyg n GLY 116 Ca 0.16 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 1pyg n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyg s LEU 117 N -0.13 2.64 -0.20 0.99 1.43 0.20 -4.99 118.68 118.62 1pyg s LEU 117 Ca 0.00 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1pyg s LEU 117 Cb 0.00 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.82 1pyg s LEU 117 CO 0.00 0.15 -0.16 -0.62 0.23 0.00 0.00 176.35 175.95 1pyg s ASP 118 N -2.43 3.54 0.39 2.29 2.15 -1.26 -2.90 116.67 118.45 1pyg s ASP 118 Ca 0.20 -0.75 0.07 0.00 0.43 0.00 0.00 52.55 52.50 1pyg s ASP 118 Cb -0.09 -1.53 0.82 0.00 -0.30 0.00 0.00 42.92 41.81 1pyg s ASP 118 CO 0.11 -0.04 2.02 -0.03 -0.17 0.00 0.00 175.17 177.06 1pyg h MET 119 N 7.94 0.62 -0.54 4.34 1.85 -1.91 -1.58 114.93 125.65 1pyg h MET 119 Ca -0.41 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 58.56 1pyg h MET 119 Cb 1.13 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 33.00 1pyg h MET 119 CO 0.61 0.41 -0.02 0.93 -0.40 0.00 0.00 176.91 178.43 1pyg h GLU 120 N 0.63 0.93 -0.14 0.39 5.08 -1.99 0.16 114.58 119.64 1pyg h GLU 120 Ca 0.21 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1pyg h GLU 120 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1pyg h GLU 120 CO -0.05 0.93 0.08 1.49 -1.00 0.00 0.00 179.01 180.46 1pyg h GLU 121 N 0.85 0.19 0.08 2.33 4.81 -1.73 -2.59 114.58 118.53 1pyg h GLU 121 Ca 0.15 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1pyg h GLU 121 Cb 0.53 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1pyg h GLU 121 CO 0.03 0.18 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.38 1pyg h LEU 122 N 0.15 -0.09 -0.91 1.64 4.07 -1.17 -3.03 115.31 115.97 1pyg h LEU 122 Ca 0.05 -0.20 0.25 0.00 0.08 0.00 0.00 57.88 58.06 1pyg h LEU 122 Cb 0.04 0.02 -0.14 0.00 1.08 0.00 0.00 40.66 41.66 1pyg h LEU 122 CO -0.01 0.15 0.34 -0.33 -1.08 0.00 0.00 178.44 177.52 1pyg h GLU 123 N -0.33 0.26 0.00 1.13 5.08 -0.56 0.86 114.58 121.01 1pyg h GLU 123 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pyg h GLU 123 Cb 0.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1pyg h GLU 123 CO 0.02 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.59 1pyg n GLU 124 N -5.16 0.08 0.04 2.33 -0.58 -0.99 -1.81 120.64 114.55 1pyg n GLU 124 Ca 0.24 0.07 0.06 0.00 -0.42 0.00 0.00 57.16 57.11 1pyg n GLU 124 Cb 0.75 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 1pyg n GLU 124 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1pyg n ILE 125 N -1.08 0.76 -2.16 -3.67 5.41 0.30 -4.95 119.36 113.96 1pyg n ILE 125 Ca 0.02 -0.61 -0.41 0.00 1.00 0.00 0.00 62.75 62.74 1pyg n ILE 125 Cb 0.01 -0.43 -0.03 0.00 -0.71 0.00 0.00 39.64 38.49 1pyg n ILE 125 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1pyg s GLU 126 N -3.17 4.37 0.24 0.38 2.12 -0.75 -4.99 118.70 116.89 1pyg s GLU 126 Ca -0.04 2.13 -0.20 0.00 0.36 0.00 0.00 54.97 57.22 1pyg s GLU 126 Cb 0.10 -3.15 -0.08 0.00 0.26 0.00 0.00 34.13 31.26 1pyg s GLU 126 CO 0.82 -0.25 0.75 -1.21 -0.54 0.00 0.00 175.26 174.83 1pyg s GLU 127 N -0.60 4.28 0.44 4.30 2.02 -1.26 -5.00 118.70 122.88 1pyg s GLU 127 Ca 0.55 0.92 -0.24 0.00 0.02 0.00 0.00 54.97 56.22 1pyg s GLU 127 Cb -0.38 -2.86 -0.08 0.00 0.10 0.00 0.00 34.13 30.92 1pyg s GLU 127 CO 0.43 0.37 1.20 -0.51 0.02 0.00 0.00 175.26 176.77 1pyg s ASP 128 N -1.66 6.25 0.16 -0.19 1.11 -1.26 -4.66 116.67 116.42 1pyg s ASP 128 Ca 0.44 2.41 -0.30 0.00 0.18 0.00 0.00 52.55 55.27 1pyg s ASP 128 Cb -0.17 -2.61 -0.08 0.00 1.07 0.00 0.00 42.92 41.13 1pyg s ASP 128 CO 0.21 -0.87 1.26 0.00 1.18 0.00 0.00 175.17 176.95 1pyg s ALA 129 N -1.44 3.48 -0.06 5.23 0.00 0.72 -4.88 121.76 124.82 1pyg s ALA 129 Ca 0.61 1.01 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 1pyg s ALA 129 Cb -0.32 -3.46 -0.19 0.00 0.00 0.00 0.00 23.12 19.16 1pyg s ALA 129 CO 0.39 -0.47 3.28 0.41 0.00 0.00 0.00 175.76 179.37 1pyg n GLY 130 N 2.58 3.10 0.72 0.00 0.00 -1.26 -4.33 105.19 106.00 1pyg n GLY 130 Ca 0.07 -1.11 0.08 0.00 0.00 0.00 0.00 46.02 45.05 1pyg n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pyg n LEU 131 N 2.14 2.62 -3.53 0.99 4.77 -1.26 -3.45 117.00 119.28 1pyg n LEU 131 Ca 0.37 -1.28 -0.15 0.00 -0.03 0.00 0.00 56.01 54.93 1pyg n LEU 131 Cb 0.82 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.76 1pyg n LEU 131 CO 0.13 0.53 0.35 -0.83 -1.33 0.00 0.00 177.39 176.24 1pyg s GLY 132 N -1.25 -0.51 -0.21 -0.72 0.00 -1.20 -1.86 107.32 101.58 1pyg s GLY 132 Ca 0.23 0.81 -0.16 0.00 0.00 0.00 0.00 44.72 45.60 1pyg s GLY 132 CO 0.21 0.49 -0.14 -2.01 0.00 0.00 0.00 173.10 171.65 1pyg n ASN 133 N 0.45 1.89 0.00 1.64 5.15 -1.26 -4.63 115.26 118.51 1pyg n ASN 133 Ca -0.18 0.43 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1pyg n ASN 133 Cb 0.60 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1pyg n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pyg n GLY 134 N 1.43 4.11 0.28 8.20 0.00 -1.26 -5.01 105.19 112.95 1pyg n GLY 134 Ca -0.30 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.34 1pyg n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pyg h GLY 135 N 0.00 1.13 0.54 -0.02 0.00 -2.00 -0.26 103.07 102.47 1pyg h GLY 135 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.36 1pyg h GLY 135 CO 0.00 -0.24 0.27 -2.00 0.00 0.00 0.00 176.54 174.56 1pyg h LEU 136 N 0.27 0.33 0.03 3.11 5.85 -1.97 0.22 115.31 123.15 1pyg h LEU 136 Ca 0.46 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 1pyg h LEU 136 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1pyg h LEU 136 CO -0.55 0.21 -0.01 1.23 -0.34 0.00 0.00 178.44 178.98 1pyg h GLY 137 N 0.49 -0.04 2.00 3.75 0.00 -1.30 -2.74 103.07 105.22 1pyg h GLY 137 Ca 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1pyg h GLY 137 CO -0.24 -0.02 -0.10 -0.09 0.00 0.00 0.00 176.54 176.10 1pyg h ARG 138 N -0.43 0.00 0.40 4.80 1.12 -0.69 -1.09 114.38 118.49 1pyg h ARG 138 Ca -0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1pyg h ARG 138 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1pyg h ARG 138 CO 0.01 0.10 -0.19 1.25 -3.11 0.00 0.00 179.97 178.02 1pyg h LEU 139 N 0.00 -0.46 -1.32 3.80 5.85 -0.50 0.33 115.31 123.01 1pyg h LEU 139 Ca -0.00 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1pyg h LEU 139 Cb 0.23 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1pyg h LEU 139 CO 0.01 -0.10 0.21 0.00 -0.34 0.00 0.00 178.44 178.22 1pyg h ALA 140 N -0.43 1.47 -0.40 1.25 0.00 -1.16 0.11 119.26 120.11 1pyg h ALA 140 Ca -0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1pyg h ALA 140 Cb 0.55 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1pyg h ALA 140 CO 0.09 0.41 0.06 0.00 0.00 0.00 0.00 179.25 179.82 1pyg h ALA 141 N 1.56 0.53 -0.14 0.00 0.00 -1.21 -1.64 119.26 118.35 1pyg h ALA 141 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1pyg h ALA 141 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pyg h ALA 141 CO -0.02 0.24 -0.37 0.00 0.00 0.00 0.00 179.25 179.10 1pyg h PHE 143 N 0.25 0.91 -0.04 0.00 -1.00 -0.68 -2.05 116.94 114.34 1pyg h PHE 143 Ca 0.03 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.65 1pyg h PHE 143 Cb 0.77 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 1pyg h PHE 143 CO 0.02 0.77 -0.26 -0.07 -1.61 0.00 0.00 178.31 177.16 1pyg h LEU 144 N 0.83 0.06 -0.23 1.54 4.07 -0.96 -0.05 115.31 120.57 1pyg h LEU 144 Ca 0.18 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.07 1pyg h LEU 144 Cb 0.35 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1pyg h LEU 144 CO 0.00 0.33 -0.03 -0.78 -1.08 0.00 0.00 178.44 176.88 1pyg h ASP 145 N 0.06 0.43 0.49 -0.43 1.82 -1.28 -3.03 116.42 114.48 1pyg h ASP 145 Ca 0.01 -0.34 -0.19 0.00 -0.39 0.00 0.00 57.03 56.12 1pyg h ASP 145 Cb 0.49 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1pyg h ASP 145 CO 0.04 0.68 -0.82 0.28 -1.61 0.00 0.00 179.24 177.81 1pyg h SER 146 N 0.19 0.30 -0.64 2.28 0.02 -0.81 -0.54 113.55 114.35 1pyg h SER 146 Ca 0.06 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 1pyg h SER 146 Cb 0.47 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1pyg h SER 146 CO 0.02 0.99 0.11 0.24 -1.14 0.00 0.00 176.83 177.05 1pyg h MET 147 N 0.15 1.08 -0.20 3.45 2.86 -1.10 0.40 114.93 121.56 1pyg h MET 147 Ca -0.04 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.24 1pyg h MET 147 Cb 1.42 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 1pyg h MET 147 CO 0.13 0.98 -0.17 0.00 1.06 0.00 0.00 176.91 178.91 1pyg h ALA 148 N 1.10 0.29 0.00 6.32 0.00 -1.49 0.23 119.26 125.71 1pyg h ALA 148 Ca 0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1pyg h ALA 148 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pyg h ALA 148 CO 0.01 0.20 -0.17 1.15 0.00 0.00 0.00 179.25 180.44 1pyg h THR 149 N 0.15 0.59 -0.46 0.00 2.02 -0.21 -0.95 112.91 114.06 1pyg h THR 149 Ca 0.04 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1pyg h THR 149 Cb 0.71 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1pyg h THR 149 CO 0.04 0.17 0.00 0.18 0.37 0.00 0.00 175.52 176.28 1pyg n LEU 150 N -3.56 3.15 -2.14 2.58 4.32 0.13 -4.73 117.00 116.75 1pyg n LEU 150 Ca -0.01 -1.59 -0.19 0.00 -0.02 0.00 0.00 56.01 54.20 1pyg n LEU 150 Cb 0.32 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 41.67 1pyg n LEU 150 CO 0.32 0.60 -0.24 0.61 -1.22 0.00 0.00 177.39 177.46 1pyg n GLY 151 N 0.99 -0.19 3.80 -0.72 0.00 -0.36 -1.14 105.19 107.57 1pyg n GLY 151 Ca 0.17 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1pyg n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyg s LEU 152 N -5.47 4.43 -0.73 0.99 1.43 0.04 -4.75 118.68 114.62 1pyg s LEU 152 Ca 0.00 0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 53.82 1pyg s LEU 152 Cb 0.00 -2.66 -0.19 0.00 0.03 0.00 0.00 46.19 43.37 1pyg s LEU 152 CO 0.00 0.23 1.87 0.00 0.23 0.00 0.00 176.35 178.68 1pyg n ALA 153 N 2.32 2.32 -2.66 4.21 0.00 -1.26 -4.55 120.51 120.89 1pyg n ALA 153 Ca -0.12 -3.07 -0.27 0.00 0.00 0.00 0.00 53.44 49.99 1pyg n ALA 153 Cb 0.52 -3.61 -0.08 0.00 0.00 0.00 0.00 19.45 16.28 1pyg n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyg s ALA 154 N 7.45 3.20 -0.03 0.00 0.00 -1.26 -1.38 121.76 129.75 1pyg s ALA 154 Ca 0.64 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1pyg s ALA 154 Cb 0.10 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1pyg s ALA 154 CO 0.17 0.48 -0.06 0.71 0.00 0.00 0.00 175.76 177.06 1pyg s TYR 155 N -1.73 0.71 -0.23 0.00 1.51 0.07 -3.95 117.35 113.72 1pyg s TYR 155 Ca 0.27 -0.17 -0.09 0.00 -1.01 0.00 0.00 57.07 56.07 1pyg s TYR 155 Cb -0.09 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1pyg s TYR 155 CO 0.19 -0.11 0.12 0.20 -1.11 0.00 0.00 175.55 174.84 1pyg s GLY 156 N 0.43 1.92 -0.07 0.71 0.00 -0.83 -0.91 107.32 108.58 1pyg s GLY 156 Ca -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.79 1pyg s GLY 156 CO 0.00 0.35 -0.15 -0.19 0.00 0.00 0.00 173.10 173.11 1pyg s TYR 157 N 1.03 2.69 0.15 1.90 1.51 0.03 -1.38 117.35 123.28 1pyg s TYR 157 Ca 0.06 -0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 1pyg s TYR 157 Cb -0.14 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1pyg s TYR 157 CO 0.04 0.05 0.30 0.41 -1.11 0.00 0.00 175.55 175.24 1pyg n GLY 158 N 2.66 1.59 3.91 0.71 0.00 -1.05 -2.67 105.19 110.35 1pyg n GLY 158 Ca -0.17 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1pyg n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pyg s ILE 159 N -2.65 4.91 -0.72 -0.61 1.09 -1.26 -1.26 121.20 120.70 1pyg s ILE 159 Ca 0.06 0.20 -0.05 0.00 -1.10 0.00 0.00 60.65 59.76 1pyg s ILE 159 Cb -0.02 -3.85 0.18 0.00 -1.06 0.00 0.00 42.46 37.72 1pyg s ILE 159 CO 0.04 -0.79 0.57 -0.60 -0.10 0.00 0.00 174.94 174.07 1pyg s ARG 160 N -4.61 2.91 -0.24 2.79 3.52 0.03 -4.56 118.95 118.80 1pyg s ARG 160 Ca 0.47 -2.68 -0.29 0.00 -0.13 0.00 0.00 55.73 53.10 1pyg s ARG 160 Cb -0.10 -3.91 -0.00 0.00 -1.56 0.00 0.00 34.95 29.38 1pyg s ARG 160 CO 0.43 -1.21 1.20 0.71 -0.81 0.00 0.00 175.30 175.62 1pyg s TYR 161 N -0.30 2.94 0.65 5.12 2.02 -1.26 -4.81 117.35 121.71 1pyg s TYR 161 Ca 0.19 1.09 0.38 0.00 -0.37 0.00 0.00 57.07 58.36 1pyg s TYR 161 Cb -0.16 -3.59 2.12 0.00 -0.40 0.00 0.00 41.96 39.93 1pyg s TYR 161 CO -0.06 -1.33 2.25 0.93 -1.57 0.00 0.00 175.55 175.76 1pyg h GLU 162 N 8.33 0.00 -3.67 -0.62 5.08 -1.89 -3.42 114.58 118.39 1pyg h GLU 162 Ca -0.24 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.77 1pyg h GLU 162 Cb 1.09 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.99 1pyg h GLU 162 CO 1.00 0.00 -0.75 -0.06 -1.00 0.00 0.00 179.01 178.20 1pyg s PHE 163 N -4.27 0.28 0.94 4.33 0.08 -1.26 -4.08 117.98 114.00 1pyg s PHE 163 Ca -0.05 0.02 -0.16 0.00 0.12 0.00 0.00 56.93 56.87 1pyg s PHE 163 Cb 0.13 -0.42 0.22 0.00 -0.57 0.00 0.00 43.02 42.38 1pyg s PHE 163 CO 0.42 -0.14 1.21 0.41 -0.10 0.00 0.00 175.22 177.02 1pyg n GLY 164 N 4.28 -1.63 3.57 4.36 0.00 -1.22 -4.91 105.19 109.64 1pyg n GLY 164 Ca -0.24 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1pyg n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pyg s ILE 165 N -3.60 3.91 0.09 -0.61 1.10 -1.26 -4.65 121.20 116.18 1pyg s ILE 165 Ca 0.69 -1.38 0.00 0.00 -0.51 0.00 0.00 60.65 59.46 1pyg s ILE 165 Cb -0.02 -4.95 0.00 0.00 0.15 0.00 0.00 42.46 37.64 1pyg s ILE 165 CO 0.49 -1.70 0.00 2.22 -2.11 0.00 0.00 174.94 173.84 1pyg n PHE 166 N 10.25 -0.88 -4.50 3.50 -1.74 -1.26 -4.89 117.46 117.95 1pyg n PHE 166 Ca 0.45 0.44 -0.25 0.00 -0.56 0.00 0.00 57.45 57.53 1pyg n PHE 166 Cb 0.47 -0.79 -0.17 0.00 1.52 0.00 0.00 39.48 40.51 1pyg n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1pyg s ASN 167 N -2.95 1.78 0.12 5.98 0.01 0.13 -4.80 114.94 115.22 1pyg s ASN 167 Ca 0.00 -0.29 -0.23 0.00 -0.71 0.00 0.00 52.86 51.62 1pyg s ASN 167 Cb 0.00 -0.81 -0.07 0.00 0.41 0.00 0.00 41.25 40.77 1pyg s ASN 167 CO 0.00 0.01 0.71 -1.58 -1.51 0.00 0.00 177.10 174.74 1pyg s GLN 168 N 0.78 4.45 -0.02 -0.60 0.74 -1.26 0.22 119.66 123.97 1pyg s GLN 168 Ca -0.12 1.02 0.03 0.00 0.05 0.00 0.00 55.36 56.34 1pyg s GLN 168 Cb -0.15 -3.27 -0.00 0.00 1.10 0.00 0.00 33.01 30.68 1pyg s GLN 168 CO 0.02 0.55 -0.12 0.21 -0.55 0.00 0.00 175.29 175.41 1pyg s LYS 169 N -0.99 1.08 -0.23 1.67 2.47 0.12 -4.19 119.74 119.67 1pyg s LYS 169 Ca 0.34 -0.42 -0.06 0.00 -1.56 0.00 0.00 55.97 54.27 1pyg s LYS 169 Cb -0.22 -1.01 -0.03 0.00 -1.46 0.00 0.00 37.83 35.11 1pyg s LYS 169 CO 0.24 0.21 0.04 0.42 0.16 0.00 0.00 175.35 176.42 1pyg s ILE 170 N -0.10 4.19 -0.29 5.43 -1.09 -1.26 0.31 121.20 128.39 1pyg s ILE 170 Ca 0.01 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.23 1pyg s ILE 170 Cb -0.07 -2.93 0.08 0.00 -1.58 0.00 0.00 42.46 37.96 1pyg s ILE 170 CO 0.00 0.38 -0.00 0.00 -1.23 0.00 0.00 174.94 174.09 1pyg n GLY 172 N 4.51 -0.42 3.01 0.00 0.00 -1.26 -0.88 105.19 110.16 1pyg n GLY 172 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1pyg n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyg n GLY 173 N -1.53 2.59 3.62 -0.02 0.00 -1.26 -4.99 105.19 103.59 1pyg n GLY 173 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1pyg n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pyg s TRP 174 N -3.18 2.95 -0.28 1.61 0.52 -0.06 -3.36 118.94 117.13 1pyg s TRP 174 Ca 0.00 -0.00 -0.26 0.00 0.02 0.00 0.00 56.10 55.85 1pyg s TRP 174 Cb 0.00 -1.62 0.01 0.00 -1.15 0.00 0.00 33.47 30.70 1pyg s TRP 174 CO 0.00 0.40 0.93 -1.14 0.02 0.00 0.00 176.95 177.17 1pyg s GLN 175 N -1.49 4.10 -0.22 4.98 0.74 -1.26 0.04 119.66 126.55 1pyg s GLN 175 Ca 0.18 0.96 -0.15 0.00 0.05 0.00 0.00 55.36 56.40 1pyg s GLN 175 Cb -0.11 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.26 1pyg s GLN 175 CO 0.09 -0.70 0.37 -1.64 -0.55 0.00 0.00 175.29 172.85 1pyg s MET 176 N 3.19 4.13 -0.65 1.67 -1.94 0.15 -4.94 119.30 120.92 1pyg s MET 176 Ca 0.39 0.12 -0.25 0.00 -1.71 0.00 0.00 55.69 54.24 1pyg s MET 176 Cb -0.14 -3.56 0.05 0.00 2.01 0.00 0.00 34.83 33.19 1pyg s MET 176 CO 0.11 -0.07 1.08 -1.21 -0.01 0.00 0.00 175.02 174.92 1pyg s GLU 177 N 1.43 3.23 0.25 2.03 8.01 -1.26 0.13 118.70 132.52 1pyg s GLU 177 Ca 0.17 -0.39 -0.21 0.00 0.01 0.00 0.00 54.97 54.55 1pyg s GLU 177 Cb -0.15 -4.15 -0.09 0.00 -4.31 0.00 0.00 34.13 25.44 1pyg s GLU 177 CO 0.08 -1.83 0.77 -2.00 0.01 0.00 0.00 175.26 172.29 1pyg s GLU 178 N 4.66 4.32 0.76 1.61 2.12 0.13 -4.85 118.70 127.45 1pyg s GLU 178 Ca 0.30 0.96 -0.11 0.00 0.36 0.00 0.00 54.97 56.49 1pyg s GLU 178 Cb -0.12 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.47 1pyg s GLU 178 CO 0.15 0.36 1.08 0.00 -0.54 0.00 0.00 175.26 176.32 1pyg s ALA 179 N -1.56 2.37 -0.60 6.30 0.00 -1.26 0.20 121.76 127.21 1pyg s ALA 179 Ca 0.45 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.48 1pyg s ALA 179 Cb -0.17 -3.18 0.16 0.00 0.00 0.00 0.00 23.12 19.94 1pyg s ALA 179 CO 0.21 -1.58 0.42 0.34 0.00 0.00 0.00 175.76 175.16 1pyg s ASP 180 N -3.71 3.94 -0.81 0.00 2.15 -1.26 -4.64 116.67 112.34 1pyg s ASP 180 Ca 0.60 -3.51 -0.17 0.00 0.43 0.00 0.00 52.55 49.90 1pyg s ASP 180 Cb -0.15 -1.32 0.16 0.00 -0.30 0.00 0.00 42.92 41.31 1pyg s ASP 180 CO 0.55 -0.13 0.88 -0.62 -0.17 0.00 0.00 175.17 175.68 1pyg s ASP 181 N -0.87 6.59 0.33 -0.34 -1.08 -1.26 -3.61 116.67 116.42 1pyg s ASP 181 Ca 0.25 -2.19 0.13 0.00 -0.52 0.00 0.00 52.55 50.22 1pyg s ASP 181 Cb -0.06 -2.30 0.55 0.00 -1.46 0.00 0.00 42.92 39.65 1pyg s ASP 181 CO -0.15 -0.86 1.71 4.11 0.52 0.00 0.00 175.17 180.50 1pyg h TRP 182 N 8.46 0.00 -0.01 -5.34 5.08 -1.92 -3.13 115.95 119.10 1pyg h TRP 182 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.00 1pyg h TRP 182 Cb 1.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 1pyg h TRP 182 CO 1.04 0.49 -0.00 1.28 -1.28 0.00 0.00 178.44 179.96 1pyg n LEU 183 N -3.82 0.87 -0.48 0.11 4.77 -1.26 -4.53 117.00 112.65 1pyg n LEU 183 Ca -0.01 -0.29 0.40 0.00 -0.03 0.00 0.00 56.01 56.08 1pyg n LEU 183 Cb 0.53 -0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.32 1pyg n LEU 183 CO 0.40 0.14 1.32 -0.09 -1.33 0.00 0.00 177.39 177.83 1pyg h ARG 184 N 1.36 0.07 -0.21 3.23 2.43 -1.89 0.49 114.38 119.86 1pyg h ARG 184 Ca 0.00 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1pyg h ARG 184 Cb 0.29 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 1pyg h ARG 184 CO 0.00 0.05 -0.38 0.66 -1.51 0.00 0.00 179.97 178.79 1pyg n TYR 185 N -4.38 0.71 -0.02 2.20 4.01 -1.26 -5.08 117.16 113.34 1pyg n TYR 185 Ca 0.36 -1.65 0.00 0.00 -0.16 0.00 0.00 57.90 56.45 1pyg n TYR 185 Cb 1.50 -0.36 -0.00 0.00 -0.31 0.00 0.00 39.34 40.17 1pyg n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyg n GLY 186 N -1.07 -1.89 2.80 2.72 0.00 0.16 -4.91 105.19 103.00 1pyg n GLY 186 Ca 0.27 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 1pyg n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pyg s ASN 187 N -4.76 3.12 0.00 1.61 3.84 -1.26 -4.85 114.94 112.64 1pyg s ASN 187 Ca 0.00 -0.89 0.14 0.00 0.21 0.00 0.00 52.86 52.32 1pyg s ASN 187 Cb 0.00 -0.76 0.66 0.00 -0.55 0.00 0.00 41.25 40.60 1pyg s ASN 187 CO 0.00 -0.28 1.38 -0.81 -2.79 0.00 0.00 177.10 174.60 1pyg n PRO 188 N 4.94 0.15 0.00 0.43 -0.04 -1.26 -3.32 135.00 135.90 1pyg n PRO 188 Ca -0.10 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1pyg n PRO 188 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 1pyg n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1pyg n TRP 189 N -1.34 0.00 -4.31 0.54 7.02 -1.26 -4.79 117.44 113.30 1pyg n TRP 189 Ca 0.06 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.29 1pyg n TRP 189 Cb 0.12 -0.02 -0.08 0.00 -2.42 0.00 0.00 31.31 28.91 1pyg n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1pyg s GLU 190 N -2.97 2.12 -0.24 -0.99 -1.05 -1.21 -4.49 118.70 109.88 1pyg s GLU 190 Ca 0.09 -1.70 -0.01 0.00 -0.15 0.00 0.00 54.97 53.20 1pyg s GLU 190 Cb 0.16 -1.97 0.07 0.00 -0.44 0.00 0.00 34.13 31.95 1pyg s GLU 190 CO 0.84 0.15 0.01 0.21 0.95 0.00 0.00 175.26 177.43 1pyg s LYS 191 N -3.72 1.06 0.13 -4.83 2.47 0.70 -4.91 119.74 110.63 1pyg s LYS 191 Ca 0.35 -0.81 -0.31 0.00 -1.56 0.00 0.00 55.97 53.64 1pyg s LYS 191 Cb -0.01 -2.31 -0.10 0.00 -1.46 0.00 0.00 37.83 33.95 1pyg s LYS 191 CO 0.20 -0.70 1.85 0.00 0.16 0.00 0.00 175.35 176.85 1pyg s ALA 192 N 1.61 3.77 -0.85 3.13 0.00 -1.26 -0.62 121.76 127.53 1pyg s ALA 192 Ca -0.00 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1pyg s ALA 192 Cb -0.18 -3.77 0.22 0.00 0.00 0.00 0.00 23.12 19.39 1pyg s ALA 192 CO -0.11 -1.24 0.77 0.54 0.00 0.00 0.00 175.76 175.72 1pyg n ARG 193 N 5.72 2.59 -0.32 0.00 5.12 0.63 -4.89 116.66 125.51 1pyg n ARG 193 Ca 0.18 -4.51 0.04 0.00 -1.93 0.00 0.00 57.85 51.63 1pyg n ARG 193 Cb 0.38 -2.38 0.23 0.00 -1.16 0.00 0.00 32.46 29.53 1pyg n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1pyg h PRO 194 N 5.65 1.02 0.00 5.56 0.11 -1.94 -2.07 132.00 140.34 1pyg h PRO 194 Ca 0.17 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1pyg h PRO 194 Cb 0.77 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1pyg h PRO 194 CO 0.86 0.68 0.00 -0.85 -0.21 0.00 0.00 178.00 178.48 1pyg n GLU 195 N -4.50 0.15 -0.64 1.05 0.00 -1.26 -2.41 120.64 113.03 1pyg n GLU 195 Ca 0.14 0.59 0.01 0.00 0.00 0.00 0.00 57.16 57.90 1pyg n GLU 195 Cb 0.21 -1.93 0.21 0.00 0.00 0.00 0.00 31.44 29.93 1pyg n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1pyg n PHE 196 N -2.24 0.86 -1.91 -1.84 3.72 -0.78 -5.00 117.46 110.28 1pyg n PHE 196 Ca -0.01 -1.37 -0.42 0.00 -0.05 0.00 0.00 57.45 55.60 1pyg n PHE 196 Cb 0.08 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 1pyg n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1pyg s THR 197 N -3.12 2.51 0.29 4.37 2.01 -1.01 -4.52 115.64 116.17 1pyg s THR 197 Ca 0.42 0.38 0.08 0.00 0.31 0.00 0.00 61.69 62.89 1pyg s THR 197 Cb 0.38 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1pyg s THR 197 CO 0.01 0.04 0.10 -0.76 -0.69 0.00 0.00 174.62 173.32 1pyg s LEU 198 N 0.86 3.37 0.20 4.42 1.43 -0.92 -4.93 118.68 123.11 1pyg s LEU 198 Ca 0.69 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1pyg s LEU 198 Cb -0.45 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 1pyg s LEU 198 CO 0.34 -0.12 0.54 -2.16 0.23 0.00 0.00 176.35 175.17 1pyg s PRO 199 N -3.78 3.84 -0.11 1.29 0.04 -1.26 -0.53 135.00 134.48 1pyg s PRO 199 Ca 0.34 0.31 0.03 0.00 0.04 0.00 0.00 61.00 61.72 1pyg s PRO 199 Cb -0.05 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.76 1pyg s PRO 199 CO 0.22 0.37 -0.19 0.08 0.04 0.00 0.00 177.00 177.53 1pyg s VAL 200 N -1.71 1.74 0.03 -0.36 1.01 0.27 -4.77 120.40 116.60 1pyg s VAL 200 Ca 0.44 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1pyg s VAL 200 Cb -0.12 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1pyg s VAL 200 CO 0.21 0.49 0.15 -1.00 0.00 0.00 0.00 175.10 174.94 1pyg s HIS 201 N 0.72 3.41 0.27 5.22 3.76 -1.26 -1.07 115.29 126.33 1pyg s HIS 201 Ca -0.11 0.24 0.04 0.00 -0.15 0.00 0.00 55.06 55.08 1pyg s HIS 201 Cb -0.16 -1.75 -0.06 0.00 1.11 0.00 0.00 32.58 31.73 1pyg s HIS 201 CO 0.02 0.58 0.01 -0.06 -0.85 0.00 0.00 174.74 174.44 1pyg s PHE 202 N -1.36 1.74 0.00 1.40 0.08 0.54 -4.96 117.98 115.42 1pyg s PHE 202 Ca 0.29 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.43 1pyg s PHE 202 Cb -0.12 -1.05 0.00 0.00 -0.57 0.00 0.00 43.02 41.28 1pyg s PHE 202 CO 0.21 0.02 0.00 0.66 -0.10 0.00 0.00 175.22 176.00 1pyg n TYR 203 N -0.53 0.00 -2.30 0.36 4.01 -0.09 -1.29 117.16 117.32 1pyg n TYR 203 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1pyg n TYR 203 Cb 0.65 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 1pyg n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyg n GLY 204 N 0.00 -1.91 3.16 2.72 0.00 -1.22 -4.67 105.19 103.27 1pyg n GLY 204 Ca 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 1pyg n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pyg s ARG 205 N 0.00 0.74 -0.28 1.61 1.70 0.64 -4.92 118.95 118.45 1pyg s ARG 205 Ca 0.00 -0.96 -0.05 0.00 -0.47 0.00 0.00 55.73 54.24 1pyg s ARG 205 Cb 0.00 0.29 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 1pyg s ARG 205 CO 0.00 -0.21 0.04 0.08 -1.08 0.00 0.00 175.30 174.13 1pyg s VAL 206 N -3.58 3.69 -0.28 4.99 1.01 -1.26 -0.38 120.40 124.58 1pyg s VAL 206 Ca 0.03 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1pyg s VAL 206 Cb 0.04 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1pyg s VAL 206 CO -0.09 0.13 0.21 -0.70 0.00 0.00 0.00 175.10 174.65 1pyg s GLU 207 N 1.46 3.92 -0.80 2.72 2.12 0.40 -4.92 118.70 123.60 1pyg s GLU 207 Ca 0.02 -0.31 -0.18 0.00 0.36 0.00 0.00 54.97 54.86 1pyg s GLU 207 Cb -0.17 -3.67 0.14 0.00 0.26 0.00 0.00 34.13 30.69 1pyg s GLU 207 CO 0.01 -0.21 0.93 -1.01 -0.54 0.00 0.00 175.26 174.43 1pyg s HIS 208 N 1.79 3.21 0.92 5.30 3.76 -1.26 0.41 115.29 129.41 1pyg s HIS 208 Ca 0.08 -1.37 -0.15 0.00 -0.15 0.00 0.00 55.06 53.47 1pyg s HIS 208 Cb -0.16 -4.11 0.16 0.00 1.11 0.00 0.00 32.58 29.58 1pyg s HIS 208 CO 0.11 -1.34 1.28 0.95 -0.85 0.00 0.00 174.74 174.89 1pyg s THR 209 N 2.19 2.00 0.18 1.30 -4.23 0.14 -4.92 115.64 112.31 1pyg s THR 209 Ca 0.23 -0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.50 1pyg s THR 209 Cb -0.12 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.80 1pyg s THR 209 CO -0.04 0.00 1.57 0.28 -0.54 0.00 0.00 174.62 175.89 1pyg h SER 210 N -1.47 -1.45 -0.70 3.99 0.02 -2.01 -1.58 113.55 110.36 1pyg h SER 210 Ca -0.45 0.25 -0.19 0.00 -0.84 0.00 0.00 61.79 60.56 1pyg h SER 210 Cb 1.26 0.68 -0.11 0.00 0.14 0.00 0.00 62.40 64.37 1pyg h SER 210 CO 0.46 -0.32 0.24 0.00 -1.14 0.00 0.00 176.83 176.07 1pyg n GLN 211 N -5.41 3.69 0.00 3.45 10.64 -1.26 -5.01 117.38 123.49 1pyg n GLN 211 Ca 0.03 -2.90 0.00 0.00 -1.83 0.00 0.00 57.00 52.30 1pyg n GLN 211 Cb 0.35 -2.18 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 1pyg n GLN 211 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1pyg n GLY 212 N -0.05 2.31 3.84 2.61 0.00 -0.60 -5.10 105.19 108.20 1pyg n GLY 212 Ca 0.38 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1pyg n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg s ALA 213 N -1.61 3.24 -0.02 4.61 0.00 -1.26 0.25 121.76 126.97 1pyg s ALA 213 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1pyg s ALA 213 Cb 0.00 -2.88 -0.00 0.00 0.00 0.00 0.00 23.12 20.24 1pyg s ALA 213 CO 0.00 0.20 -0.10 0.15 0.00 0.00 0.00 175.76 176.01 1pyg s LYS 214 N -3.22 0.90 -0.45 0.00 1.02 0.16 -4.84 119.74 113.31 1pyg s LYS 214 Ca 0.56 -0.33 -0.13 0.00 0.02 0.00 0.00 55.97 56.09 1pyg s LYS 214 Cb -0.10 -0.85 0.08 0.00 -0.52 0.00 0.00 37.83 36.44 1pyg s LYS 214 CO 0.19 0.17 0.34 -0.46 -0.92 0.00 0.00 175.35 174.67 1pyg s TRP 215 N -0.02 3.28 0.41 3.18 -0.00 -1.26 -0.45 118.94 124.08 1pyg s TRP 215 Ca 0.00 -1.19 0.07 0.00 -0.00 0.00 0.00 56.10 54.99 1pyg s TRP 215 Cb -0.06 -3.10 -0.05 0.00 -0.00 0.00 0.00 33.47 30.26 1pyg s TRP 215 CO 0.00 -0.82 0.21 0.14 -0.00 0.00 0.00 176.95 176.48 1pyg s VAL 216 N 1.55 2.44 -1.59 5.86 -7.23 0.49 -4.78 120.40 117.14 1pyg s VAL 216 Ca 0.04 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1pyg s VAL 216 Cb -0.24 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1pyg s VAL 216 CO 0.05 -0.02 0.10 0.47 -0.31 0.00 0.00 175.10 175.39 1pyg n ASP 217 N -1.28 -5.47 -4.84 4.85 9.92 -1.26 -0.26 116.55 118.21 1pyg n ASP 217 Ca -0.00 -0.02 -0.32 0.00 -0.53 0.00 0.00 54.79 53.91 1pyg n ASP 217 Cb 0.64 -4.54 -0.05 0.00 -0.64 0.00 0.00 41.12 36.52 1pyg n ASP 217 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1pyg s THR 218 N -2.97 4.56 0.26 -3.53 -4.23 -1.26 -3.39 115.64 105.08 1pyg s THR 218 Ca 0.06 1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 61.52 1pyg s THR 218 Cb -0.03 -3.65 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 1pyg s THR 218 CO 0.07 -0.40 0.74 -1.58 -0.54 0.00 0.00 174.62 172.91 1pyg s GLN 219 N -3.44 4.20 0.07 3.99 0.74 -0.41 -4.86 119.66 119.96 1pyg s GLN 219 Ca 0.58 0.84 0.07 0.00 0.05 0.00 0.00 55.36 56.90 1pyg s GLN 219 Cb -0.10 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 1pyg s GLN 219 CO 0.21 0.32 -0.14 0.08 -0.55 0.00 0.00 175.29 175.21 1pyg s VAL 220 N -1.66 3.09 0.01 1.34 1.01 -1.26 -0.34 120.40 122.59 1pyg s VAL 220 Ca 0.47 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1pyg s VAL 220 Cb -0.15 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1pyg s VAL 220 CO 0.20 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.73 1pyg s VAL 221 N -1.08 0.76 0.18 2.92 1.01 -0.24 -4.75 120.40 119.21 1pyg s VAL 221 Ca 0.18 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1pyg s VAL 221 Cb -0.11 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 1pyg s VAL 221 CO 0.09 0.04 0.65 -0.76 0.00 0.00 0.00 175.10 175.13 1pyg s LEU 222 N -0.68 4.38 -0.31 3.92 1.43 0.43 -0.56 118.68 127.29 1pyg s LEU 222 Ca 0.01 1.31 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1pyg s LEU 222 Cb -0.06 -3.38 0.09 0.00 0.03 0.00 0.00 46.19 42.87 1pyg s LEU 222 CO 0.00 0.10 -0.00 0.00 0.23 0.00 0.00 176.35 176.68 1pyg s ALA 223 N -1.43 2.74 -0.15 4.21 0.00 0.31 -0.36 121.76 127.08 1pyg s ALA 223 Ca 0.39 -2.24 -0.20 0.00 0.00 0.00 0.00 51.96 49.91 1pyg s ALA 223 Cb -0.17 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1pyg s ALA 223 CO 0.20 -1.52 0.58 1.41 0.00 0.00 0.00 175.76 176.43 1pyg s MET 224 N 0.99 4.30 0.36 0.00 1.75 -0.83 -2.16 119.30 123.71 1pyg s MET 224 Ca 0.04 0.58 -0.26 0.00 -1.25 0.00 0.00 55.69 54.80 1pyg s MET 224 Cb -0.19 -3.50 -0.09 0.00 2.84 0.00 0.00 34.83 33.89 1pyg s MET 224 CO -0.07 -0.03 1.13 -2.14 -0.65 0.00 0.00 175.02 173.25 1pyg s PRO 225 N 1.22 4.26 -0.07 4.11 0.02 -1.26 -1.25 135.00 142.03 1pyg s PRO 225 Ca 0.29 1.77 0.01 0.00 0.02 0.00 0.00 61.00 63.09 1pyg s PRO 225 Cb -0.16 -2.80 0.02 0.00 0.02 0.00 0.00 34.50 31.58 1pyg s PRO 225 CO 0.12 -0.12 -0.08 0.71 -0.33 0.00 0.00 177.00 177.29 1pyg s TYR 226 N -1.39 1.23 -0.15 6.54 1.51 -0.37 -0.27 117.35 124.46 1pyg s TYR 226 Ca 0.53 -0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 56.04 1pyg s TYR 226 Cb -0.29 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 1pyg s TYR 226 CO 0.37 -0.32 0.08 -0.51 -1.11 0.00 0.00 175.55 174.06 1pyg s ASP 227 N 1.10 5.85 -0.05 2.29 1.01 0.21 -2.15 116.67 124.93 1pyg s ASP 227 Ca -0.07 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.43 1pyg s ASP 227 Cb -0.14 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.89 1pyg s ASP 227 CO -0.01 0.28 -0.08 -0.89 0.21 0.00 0.00 175.17 174.68 1pyg s THR 228 N -0.27 0.77 0.25 -1.27 2.01 0.09 -0.21 115.64 117.01 1pyg s THR 228 Ca 0.09 -0.27 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 1pyg s THR 228 Cb -0.12 -0.74 -0.09 0.00 0.01 0.00 0.00 72.50 71.56 1pyg s THR 228 CO 0.01 0.27 0.90 -2.16 -0.69 0.00 0.00 174.62 172.96 1pyg s PRO 229 N 0.78 4.68 -0.17 4.92 0.04 -1.26 -0.74 135.00 143.25 1pyg s PRO 229 Ca -0.13 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1pyg s PRO 229 Cb -0.15 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.31 1pyg s PRO 229 CO 0.02 0.44 -0.20 0.14 0.04 0.00 0.00 177.00 177.43 1pyg s VAL 230 N -1.34 2.08 0.19 -0.36 -7.23 0.19 -4.89 120.40 109.04 1pyg s VAL 230 Ca 0.43 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 1pyg s VAL 230 Cb -0.23 -1.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 1pyg s VAL 230 CO 0.28 0.54 1.09 -2.16 -0.31 0.00 0.00 175.10 174.54 1pyg s PRO 231 N 1.13 4.61 0.32 4.82 0.04 -1.26 -0.58 135.00 144.08 1pyg s PRO 231 Ca 0.01 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 1pyg s PRO 231 Cb -0.14 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 1pyg s PRO 231 CO -0.09 0.11 0.78 0.20 0.04 0.00 0.00 177.00 178.04 1pyg s GLY 232 N -0.25 2.41 -0.29 0.56 0.00 0.30 -4.71 107.32 105.33 1pyg s GLY 232 Ca 0.48 0.14 -0.28 0.00 0.00 0.00 0.00 44.72 45.06 1pyg s GLY 232 CO 0.35 0.39 1.81 -0.47 0.00 0.00 0.00 173.10 175.19 1pyg s TYR 233 N -1.92 1.79 -0.83 1.90 5.04 -1.26 -3.87 117.35 118.19 1pyg s TYR 233 Ca 0.53 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1pyg s TYR 233 Cb -0.11 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.10 1pyg s TYR 233 CO 0.18 -3.13 0.00 0.54 -1.34 0.00 0.00 175.55 171.80 1pyg n ARG 234 N 8.31 -1.36 -0.04 4.97 1.74 0.02 -4.77 116.66 125.53 1pyg n ARG 234 Ca 0.23 0.51 0.10 0.00 -0.77 0.00 0.00 57.85 57.92 1pyg n ARG 234 Cb 0.46 -4.55 0.11 0.00 -1.02 0.00 0.00 32.46 27.46 1pyg n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1pyg n ASN 235 N 0.14 2.85 -1.09 0.55 6.94 -1.25 -4.96 115.26 118.43 1pyg n ASN 235 Ca -0.08 -1.88 -0.13 0.00 -0.02 0.00 0.00 54.58 52.47 1pyg n ASN 235 Cb 0.30 -0.05 -0.05 0.00 -2.36 0.00 0.00 39.78 37.63 1pyg n ASN 235 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1pyg n ASN 236 N 1.20 -4.49 -4.57 0.53 3.02 -1.26 -1.24 115.26 108.45 1pyg n ASN 236 Ca 0.13 0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 54.58 1pyg n ASN 236 Cb 0.53 -3.23 -0.11 0.00 -0.61 0.00 0.00 39.78 36.35 1pyg n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pyg s VAL 237 N -2.51 5.03 -0.15 2.41 1.01 -1.26 -4.75 120.40 120.16 1pyg s VAL 237 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1pyg s VAL 237 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1pyg s VAL 237 CO 0.00 0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 174.52 1pyg s VAL 238 N 1.49 1.97 0.02 2.92 1.01 -1.26 -0.54 120.40 126.01 1pyg s VAL 238 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1pyg s VAL 238 Cb -0.15 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1pyg s VAL 238 CO 0.07 0.53 0.03 0.59 0.00 0.00 0.00 175.10 176.32 1pyg n ASN 239 N 4.37 0.38 -4.23 3.32 3.02 0.26 -4.62 115.26 117.75 1pyg n ASN 239 Ca -0.20 -1.06 -0.32 0.00 -0.03 0.00 0.00 54.58 52.96 1pyg n ASN 239 Cb 0.51 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.50 1pyg n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1pyg s THR 240 N 0.57 2.25 -0.18 3.41 2.01 -1.25 -0.63 115.64 121.81 1pyg s THR 240 Ca 0.02 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 1pyg s THR 240 Cb -0.00 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1pyg s THR 240 CO 0.01 0.55 0.06 -0.32 -0.69 0.00 0.00 174.62 174.23 1pyg s MET 241 N 0.52 3.93 -0.15 4.92 1.75 0.08 -1.96 119.30 128.40 1pyg s MET 241 Ca -0.13 -0.36 -0.00 0.00 -1.25 0.00 0.00 55.69 53.94 1pyg s MET 241 Cb -0.17 -3.20 0.03 0.00 2.84 0.00 0.00 34.83 34.34 1pyg s MET 241 CO 0.05 0.24 -0.07 0.50 -0.65 0.00 0.00 175.02 175.09 1pyg s ARG 242 N 0.45 1.59 0.02 4.11 6.06 -0.48 -0.73 118.95 129.97 1pyg s ARG 242 Ca 0.03 -0.45 0.06 0.00 -2.50 0.00 0.00 55.73 52.86 1pyg s ARG 242 Cb -0.13 -1.90 -0.03 0.00 0.06 0.00 0.00 34.95 32.96 1pyg s ARG 242 CO 0.01 -0.35 -0.15 -0.51 -2.50 0.00 0.00 175.30 171.80 1pyg s LEU 243 N 1.63 2.77 0.00 -0.88 1.43 -0.91 -2.52 118.68 120.20 1pyg s LEU 243 Ca 0.03 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1pyg s LEU 243 Cb -0.14 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1pyg s LEU 243 CO -0.08 0.27 0.30 0.26 0.23 0.00 0.00 176.35 177.32 1pyg s TRP 244 N -0.93 3.60 -0.05 0.29 0.52 -0.39 -1.24 118.94 120.75 1pyg s TRP 244 Ca 0.15 0.67 -0.01 0.00 0.02 0.00 0.00 56.10 56.93 1pyg s TRP 244 Cb -0.11 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 1pyg s TRP 244 CO 0.06 0.62 0.01 -1.12 0.02 0.00 0.00 176.95 176.53 1pyg s SER 245 N -1.54 5.25 0.04 2.95 0.01 -0.38 -0.79 113.70 119.24 1pyg s SER 245 Ca 0.26 0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.34 1pyg s SER 245 Cb -0.14 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1pyg s SER 245 CO 0.15 0.34 0.93 0.00 0.41 0.00 0.00 173.24 175.07 1pyg s ALA 246 N -0.97 3.22 -0.06 1.44 0.00 -1.25 -1.97 121.76 122.17 1pyg s ALA 246 Ca 0.16 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 1pyg s ALA 246 Cb -0.11 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1pyg s ALA 246 CO 0.06 -0.13 -0.02 0.15 0.00 0.00 0.00 175.76 175.82 1pyg s LYS 247 N 0.57 0.74 0.14 0.00 1.02 0.51 -4.65 119.74 118.07 1pyg s LYS 247 Ca 0.48 -0.00 -0.31 0.00 0.02 0.00 0.00 55.97 56.16 1pyg s LYS 247 Cb -0.21 -0.92 -0.08 0.00 -0.52 0.00 0.00 37.83 36.09 1pyg s LYS 247 CO 0.27 -0.20 1.38 0.00 -0.92 0.00 0.00 175.35 175.88 1pyg s ALA 248 N 1.46 3.58 0.17 5.17 0.00 -1.26 -0.43 121.76 130.46 1pyg s ALA 248 Ca -0.03 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 1pyg s ALA 248 Cb -0.13 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.51 1pyg s ALA 248 CO -0.03 -0.61 1.43 -1.00 0.00 0.00 0.00 175.76 175.55 1pyg h PRO 249 N 6.41 0.39 0.00 0.00 0.13 -1.96 -3.47 132.00 133.50 1pyg h PRO 249 Ca -0.43 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1pyg h PRO 249 Cb 1.21 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1pyg h PRO 249 CO 0.84 0.97 0.00 0.94 -0.23 0.00 0.00 178.00 180.53 1pyg n GLN 264 N -3.83 0.00 0.10 0.86 7.27 -1.26 -5.08 117.38 115.45 1pyg n GLN 264 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.99 1pyg n GLN 264 Cb 0.72 0.00 0.11 0.00 2.41 0.00 0.00 30.24 33.48 1pyg n GLN 264 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pyg h ALA 265 N 0.00 0.84 -0.22 1.69 0.00 -2.05 -2.14 119.26 117.38 1pyg h ALA 265 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1pyg h ALA 265 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1pyg h ALA 265 CO 0.00 0.79 0.06 0.28 0.00 0.00 0.00 179.25 180.38 1pyg h VAL 266 N 0.09 0.92 -0.52 0.00 2.07 -2.04 0.17 116.25 116.94 1pyg h VAL 266 Ca -0.01 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 1pyg h VAL 266 Cb 1.18 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1pyg h VAL 266 CO 0.10 0.03 -0.15 -0.07 0.02 0.00 0.00 177.57 177.50 1pyg h LEU 267 N 0.15 1.03 -2.41 2.57 3.38 -2.00 -0.35 115.31 117.69 1pyg h LEU 267 Ca 0.10 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1pyg h LEU 267 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1pyg h LEU 267 CO -0.11 1.16 -0.03 0.44 0.09 0.00 0.00 178.44 179.99 1pyg h ASP 268 N 0.89 0.00 0.29 -0.43 5.19 -0.78 -1.82 116.42 119.76 1pyg h ASP 268 Ca 0.13 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.21 1pyg h ASP 268 Cb 0.72 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.19 1pyg h ASP 268 CO 0.06 0.03 -1.91 0.54 -3.12 0.00 0.00 179.24 174.84 1pyg n ARG 269 N -3.59 0.69 0.01 3.56 1.74 0.55 -3.70 116.66 115.91 1pyg n ARG 269 Ca -0.03 0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 57.18 1pyg n ARG 269 Cb 0.13 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 29.75 1pyg n ARG 269 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1pyg h ASN 270 N 0.03 -0.02 0.36 0.55 -0.00 -0.23 -0.10 115.58 116.17 1pyg h ASN 270 Ca -0.37 -0.35 -0.05 0.00 -0.00 0.00 0.00 56.30 55.52 1pyg h ASN 270 Cb 2.03 0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 40.35 1pyg h ASN 270 CO 0.07 0.34 -0.25 -0.07 -0.00 0.00 0.00 177.43 177.53 1pyg h LEU 271 N -0.39 0.00 0.35 0.34 3.38 -1.69 0.37 115.31 117.66 1pyg h LEU 271 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pyg h LEU 271 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1pyg h LEU 271 CO 0.00 0.25 -0.17 0.00 0.09 0.00 0.00 178.44 178.62 1pyg h ALA 272 N 1.75 -0.46 0.00 1.53 0.00 -1.59 -2.45 119.26 118.04 1pyg h ALA 272 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pyg h ALA 272 Cb 0.49 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1pyg h ALA 272 CO 0.03 -0.56 0.00 -1.91 0.00 0.00 0.00 179.25 176.81 1pyg n GLU 273 N -5.14 0.13 0.00 0.00 4.07 -0.07 -2.87 120.64 116.76 1pyg n GLU 273 Ca -0.09 0.52 0.14 0.00 -0.06 0.00 0.00 57.16 57.67 1pyg n GLU 273 Cb 0.27 -1.84 0.61 0.00 -0.06 0.00 0.00 31.44 30.42 1pyg n GLU 273 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1pyg n ASN 274 N -2.10 0.47 0.29 4.31 5.15 0.13 -3.53 115.26 119.96 1pyg n ASN 274 Ca 0.00 -0.56 0.16 0.00 -0.60 0.00 0.00 54.58 53.59 1pyg n ASN 274 Cb 0.11 -0.08 0.85 0.00 -0.53 0.00 0.00 39.78 40.13 1pyg n ASN 274 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1pyg h ILE 275 N 0.56 0.33 0.00 -1.44 2.04 -1.61 -3.50 117.51 113.89 1pyg h ILE 275 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1pyg h ILE 275 Cb 0.36 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1pyg h ILE 275 CO 0.00 0.06 0.00 -1.20 0.00 0.00 0.00 178.15 177.01 1pyg n SER 276 N -3.43 0.00 0.00 1.72 7.64 -1.23 -4.88 113.62 113.44 1pyg n SER 276 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1pyg n SER 276 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1pyg n SER 276 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1pyg n LYS 289 N 0.00 0.00 -0.26 1.43 2.85 -1.26 -3.82 118.16 117.10 1pyg n LYS 289 Ca 0.00 0.00 0.16 0.00 -1.05 0.00 0.00 58.31 57.42 1pyg n LYS 289 Cb 0.00 0.00 0.45 0.00 -0.65 0.00 0.00 35.03 34.83 1pyg n LYS 289 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1pyg h GLU 290 N 0.00 0.51 -0.02 -1.58 4.81 -2.03 0.33 114.58 116.60 1pyg h GLU 290 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pyg h GLU 290 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1pyg h GLU 290 CO 0.00 0.34 0.01 -0.07 -0.73 0.00 0.00 179.01 178.56 1pyg h LEU 291 N 0.52 0.00 0.09 1.64 -0.00 -2.01 -0.43 115.31 115.13 1pyg h LEU 291 Ca 0.48 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 58.13 1pyg h LEU 291 Cb 1.01 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.70 1pyg h LEU 291 CO -0.21 0.00 -0.95 -0.09 -0.00 0.00 0.00 178.44 177.19 1pyg h ARG 292 N 0.00 0.49 -0.56 1.13 2.43 -1.36 0.13 114.38 116.64 1pyg h ARG 292 Ca 0.01 -0.65 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1pyg h ARG 292 Cb 0.04 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1pyg h ARG 292 CO -0.00 1.27 0.34 1.25 -1.51 0.00 0.00 179.97 181.32 1pyg h LEU 293 N 0.01 0.67 -0.05 3.80 5.85 -1.42 0.20 115.31 124.37 1pyg h LEU 293 Ca -0.14 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1pyg h LEU 293 Cb 1.67 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 1pyg h LEU 293 CO 0.18 0.51 0.02 0.11 -0.34 0.00 0.00 178.44 178.92 1pyg h LYS 294 N 0.77 0.08 -0.78 1.25 1.57 -0.80 -1.47 116.57 117.20 1pyg h LYS 294 Ca 0.20 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1pyg h LYS 294 Cb -0.04 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1pyg h LYS 294 CO -0.04 0.25 0.51 1.96 -0.57 0.00 0.00 179.45 181.56 1pyg h GLN 295 N -0.11 0.99 -0.23 3.15 4.20 0.15 -0.59 115.11 122.67 1pyg h GLN 295 Ca 0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1pyg h GLN 295 Cb 0.21 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1pyg h GLN 295 CO -0.00 0.66 0.11 0.93 -0.67 0.00 0.00 178.83 179.86 1pyg h GLU 296 N 1.02 0.33 -0.02 1.46 5.08 -0.81 -2.37 114.58 119.28 1pyg h GLU 296 Ca 0.30 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1pyg h GLU 296 Cb -0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1pyg h GLU 296 CO -0.08 0.35 -0.50 -0.92 -1.00 0.00 0.00 179.01 176.86 1pyg h TYR 297 N 0.24 0.05 -0.08 4.33 3.20 -0.84 -2.65 116.97 121.21 1pyg h TYR 297 Ca 0.08 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1pyg h TYR 297 Cb 0.13 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1pyg h TYR 297 CO -0.02 0.53 -0.15 0.35 -1.64 0.00 0.00 178.16 177.23 1pyg h PHE 298 N 0.03 -0.39 -0.18 -3.82 3.57 -0.60 0.74 116.94 116.29 1pyg h PHE 298 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1pyg h PHE 298 Cb 0.89 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1pyg h PHE 298 CO 0.00 -0.22 -0.06 -0.24 -2.23 0.00 0.00 178.31 175.56 1pyg h VAL 299 N -0.21 1.15 0.00 1.41 3.04 -1.40 -2.57 116.25 117.67 1pyg h VAL 299 Ca 0.08 -0.63 -0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1pyg h VAL 299 Cb 0.32 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1pyg h VAL 299 CO -0.21 0.20 -0.00 0.58 -1.01 0.00 0.00 177.57 177.13 1pyg h VAL 300 N 0.26 1.65 0.34 1.51 2.07 -0.97 -2.96 116.25 118.15 1pyg h VAL 300 Ca 0.06 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 1pyg h VAL 300 Cb 0.28 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1pyg h VAL 300 CO 0.01 0.49 -0.16 0.00 0.02 0.00 0.00 177.57 177.93 1pyg h ALA 301 N 0.19 -0.45 -0.56 1.67 0.00 -0.91 -2.11 119.26 117.09 1pyg h ALA 301 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1pyg h ALA 301 Cb 0.81 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1pyg h ALA 301 CO 0.00 -0.69 0.30 0.00 0.00 0.00 0.00 179.25 178.87 1pyg h ALA 302 N 0.03 0.72 -0.83 0.00 0.00 -1.61 -2.95 119.26 114.62 1pyg h ALA 302 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pyg h ALA 302 Cb 0.43 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1pyg h ALA 302 CO 0.08 0.24 0.53 1.15 0.00 0.00 0.00 179.25 181.25 1pyg h THR 303 N 0.75 1.22 0.00 0.00 2.02 -1.45 -2.69 112.91 112.76 1pyg h THR 303 Ca 0.20 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1pyg h THR 303 Cb 0.05 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1pyg h THR 303 CO -0.03 0.22 -0.14 -0.07 0.37 0.00 0.00 175.52 175.87 1pyg h LEU 304 N 1.14 0.00 -0.16 2.58 3.38 -1.20 -0.97 115.31 120.06 1pyg h LEU 304 Ca 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 1pyg h LEU 304 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1pyg h LEU 304 CO -0.06 0.14 -0.42 1.56 0.09 0.00 0.00 178.44 179.75 1pyg h GLN 305 N 0.00 0.57 -0.82 1.13 4.20 -1.42 -0.40 115.11 118.38 1pyg h GLN 305 Ca -0.00 -0.40 0.03 0.00 0.06 0.00 0.00 58.65 58.34 1pyg h GLN 305 Cb 0.70 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 1pyg h GLN 305 CO 0.02 1.02 0.52 -0.44 -0.67 0.00 0.00 178.83 179.27 1pyg h ASP 306 N 0.23 0.86 -0.00 1.46 5.19 -1.28 -0.53 116.42 122.34 1pyg h ASP 306 Ca -0.01 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1pyg h ASP 306 Cb 1.03 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.35 1pyg h ASP 306 CO 0.09 0.59 0.00 0.40 -3.12 0.00 0.00 179.24 177.20 1pyg h ILE 307 N 1.01 1.14 -0.18 0.35 2.04 -0.64 -0.16 117.51 121.07 1pyg h ILE 307 Ca 0.33 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 1pyg h ILE 307 Cb 0.02 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1pyg h ILE 307 CO -0.12 0.11 -0.38 0.40 0.00 0.00 0.00 178.15 178.16 1pyg h ILE 308 N -0.17 1.30 0.42 -0.67 1.08 -0.94 -0.59 117.51 117.93 1pyg h ILE 308 Ca 0.00 -1.49 -0.02 0.00 -0.39 0.00 0.00 64.86 62.96 1pyg h ILE 308 Cb 0.17 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1pyg h ILE 308 CO -0.00 0.46 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.63 1pyg h ARG 309 N 0.33 -0.54 -0.35 2.37 1.12 -0.82 -2.22 114.38 114.27 1pyg h ARG 309 Ca 0.03 0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.96 1pyg h ARG 309 Cb 0.82 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.88 1pyg h ARG 309 CO 0.07 -0.27 0.23 -0.09 -3.11 0.00 0.00 179.97 176.80 1pyg h ARG 310 N -0.74 0.41 0.25 0.20 9.65 -0.90 -0.52 114.38 122.72 1pyg h ARG 310 Ca -0.06 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1pyg h ARG 310 Cb 0.52 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1pyg h ARG 310 CO 0.09 0.27 -0.12 0.35 2.80 0.00 0.00 179.97 183.37 1pyg h PHE 311 N 0.42 -0.31 -0.46 2.20 3.57 -0.94 -3.24 116.94 118.18 1pyg h PHE 311 Ca 0.14 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1pyg h PHE 311 Cb 0.03 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1pyg h PHE 311 CO -0.00 -0.10 -0.05 0.87 -2.23 0.00 0.00 178.31 176.80 1pyg h LYS 312 N -0.46 0.85 -2.51 1.11 1.57 -0.73 -3.21 116.57 113.20 1pyg h LYS 312 Ca -0.03 -0.30 -0.75 0.00 -1.87 0.00 0.00 60.65 57.69 1pyg h LYS 312 Cb 0.34 -0.06 -0.16 0.00 0.08 0.00 0.00 32.23 32.43 1pyg h LYS 312 CO 0.06 0.93 2.03 0.43 -0.57 0.00 0.00 179.45 182.32 1pyg n SER 313 N -4.31 7.85 0.22 0.86 7.64 -0.28 -3.12 113.62 122.48 1pyg n SER 313 Ca 0.00 -3.29 0.10 0.00 1.01 0.00 0.00 58.87 56.69 1pyg n SER 313 Cb 0.34 -1.31 0.39 0.00 -1.01 0.00 0.00 64.21 62.63 1pyg n SER 313 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1pyg h SER 314 N 4.46 0.00 -3.48 6.43 4.64 -1.65 -3.47 113.55 120.48 1pyg h SER 314 Ca 0.66 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.46 1pyg h SER 314 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1pyg h SER 314 CO 1.39 0.23 0.51 -0.75 -0.87 0.00 0.00 176.83 177.34 1pyg s LYS 315 N -3.52 4.54 0.18 4.77 2.20 -1.26 -4.87 119.74 121.78 1pyg s LYS 315 Ca 0.02 1.77 -0.32 0.00 -0.36 0.00 0.00 55.97 57.07 1pyg s LYS 315 Cb 0.09 -3.28 -0.11 0.00 -1.51 0.00 0.00 37.83 33.02 1pyg s LYS 315 CO 0.65 -0.03 1.73 0.12 -0.36 0.00 0.00 175.35 177.46 1pyg s PHE 316 N 0.03 2.74 0.00 4.03 5.36 -1.25 -2.74 117.98 126.15 1pyg s PHE 316 Ca 0.52 0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 1pyg s PHE 316 Cb -0.30 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.25 1pyg s PHE 316 CO 0.34 -4.35 0.00 0.41 -1.46 0.00 0.00 175.22 170.17 1pyg n GLY 317 N 4.02 2.26 3.72 13.12 0.00 -1.26 -4.96 105.19 122.09 1pyg n GLY 317 Ca 0.16 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1pyg n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg n ARG 319 N 3.56 4.87 -2.94 0.00 1.74 -1.26 -4.33 116.66 118.29 1pyg n ARG 319 Ca 0.09 -3.14 -0.19 0.00 -0.77 0.00 0.00 57.85 53.84 1pyg n ARG 319 Cb 0.43 -2.26 0.02 0.00 -1.02 0.00 0.00 32.46 29.63 1pyg n ARG 319 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pyg s ASP 320 N -0.78 5.58 0.00 0.55 1.01 -1.26 -4.93 116.67 116.84 1pyg s ASP 320 Ca 0.54 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.61 1pyg s ASP 320 Cb 0.41 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 43.47 1pyg s ASP 320 CO 0.16 -0.85 0.00 -2.65 0.21 0.00 0.00 175.17 172.05 1pyg n PRO 321 N -2.01 0.00 0.00 8.23 -0.02 -1.26 -4.34 135.00 135.60 1pyg n PRO 321 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1pyg n PRO 321 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 1pyg n PRO 321 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1pyg n VAL 322 N 0.00 0.00 -2.62 -1.45 3.14 -1.25 -4.28 118.33 111.87 1pyg n VAL 322 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 1pyg n VAL 322 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1pyg n VAL 322 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1pyg s ARG 323 N 0.00 3.34 -0.07 1.45 0.52 -1.18 -4.57 118.95 118.44 1pyg s ARG 323 Ca 0.00 -0.72 0.13 0.00 -0.52 0.00 0.00 55.73 54.62 1pyg s ARG 323 Cb 0.00 -4.63 -0.19 0.00 0.52 0.00 0.00 34.95 30.65 1pyg s ARG 323 CO 0.00 -2.10 0.19 2.41 0.02 0.00 0.00 175.30 175.82 1pyg n THR 324 N 6.43 0.38 -2.83 0.02 -1.04 -1.26 -4.45 114.28 111.53 1pyg n THR 324 Ca 0.14 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 1pyg n THR 324 Cb 0.49 -0.18 -0.04 0.00 -1.82 0.00 0.00 70.33 68.78 1pyg n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1pyg s ASN 325 N -4.03 6.21 0.00 8.00 2.47 -1.26 -4.91 114.94 121.42 1pyg s ASN 325 Ca -0.06 -0.81 0.01 0.00 0.42 0.00 0.00 52.86 52.43 1pyg s ASN 325 Cb 0.07 -2.43 0.04 0.00 -1.45 0.00 0.00 41.25 37.47 1pyg s ASN 325 CO 0.56 -1.43 0.23 0.49 -3.72 0.00 0.00 177.10 173.23 1pyg n PHE 326 N 7.79 0.00 0.22 0.43 3.72 -1.26 -2.96 117.46 125.40 1pyg n PHE 326 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 1pyg n PHE 326 Cb 0.46 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.46 1pyg n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1pyg h ASP 327 N 0.00 0.00 0.23 4.37 3.32 -2.01 -2.60 116.42 119.74 1pyg h ASP 327 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pyg h ASP 327 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pyg h ASP 327 CO 0.00 0.27 -0.16 0.00 -1.72 0.00 0.00 179.24 177.63 1pyg n ALA 328 N -2.27 2.87 0.01 3.45 0.00 -1.15 -4.52 120.51 118.90 1pyg n ALA 328 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 1pyg n ALA 328 Cb 0.42 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 1pyg n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1pyg h PHE 329 N 1.12 -1.09 0.00 0.00 3.57 -1.69 0.20 116.94 119.05 1pyg h PHE 329 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1pyg h PHE 329 Cb 0.44 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1pyg h PHE 329 CO 0.00 -0.46 0.00 -1.00 -2.23 0.00 0.00 178.31 174.62 1pyg h PRO 330 N -0.48 0.00 0.00 6.41 0.13 -1.81 0.59 132.00 136.84 1pyg h PRO 330 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1pyg h PRO 330 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1pyg h PRO 330 CO -0.36 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 176.97 1pyg h ASP 331 N 0.00 0.00 0.00 1.44 3.32 -0.91 -3.35 116.42 116.92 1pyg h ASP 331 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1pyg h ASP 331 Cb 0.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1pyg h ASP 331 CO 0.00 0.00 -1.83 0.29 -1.72 0.00 0.00 179.24 175.98 1pyg n LYS 332 N -2.85 1.62 -4.86 3.56 4.76 -0.08 -4.45 118.16 115.85 1pyg n LYS 332 Ca 0.04 -0.03 -0.31 0.00 -2.87 0.00 0.00 58.31 55.14 1pyg n LYS 332 Cb 0.47 -1.33 -0.14 0.00 -1.84 0.00 0.00 35.03 32.19 1pyg n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1pyg s VAL 333 N -2.44 2.40 -0.05 -0.18 1.01 0.00 -0.80 120.40 120.36 1pyg s VAL 333 Ca -0.06 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1pyg s VAL 333 Cb 0.05 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1pyg s VAL 333 CO 0.54 0.39 0.02 0.00 0.00 0.00 0.00 175.10 176.05 1pyg s ALA 334 N -0.82 0.41 -0.19 5.51 0.00 -0.41 -4.60 121.76 121.66 1pyg s ALA 334 Ca 0.13 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.12 1pyg s ALA 334 Cb -0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1pyg s ALA 334 CO 0.03 -0.34 -0.02 0.42 0.00 0.00 0.00 175.76 175.84 1pyg s ILE 335 N 1.73 3.86 -0.32 0.00 1.01 -0.83 -0.17 121.20 126.49 1pyg s ILE 335 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1pyg s ILE 335 Cb -0.13 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.65 1pyg s ILE 335 CO -0.03 0.45 0.06 -1.58 0.00 0.00 0.00 174.94 173.84 1pyg s GLN 336 N 0.82 2.68 -0.41 2.79 2.00 0.44 -2.25 119.66 125.73 1pyg s GLN 336 Ca -0.00 -1.12 -0.25 0.00 -2.00 0.00 0.00 55.36 51.98 1pyg s GLN 336 Cb -0.14 -3.34 0.02 0.00 0.80 0.00 0.00 33.01 30.34 1pyg s GLN 336 CO 0.02 -0.59 0.89 -0.51 -0.50 0.00 0.00 175.29 174.60 1pyg s LEU 337 N 1.38 4.03 -0.60 3.68 1.43 -0.47 -2.21 118.68 125.93 1pyg s LEU 337 Ca -0.02 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.23 1pyg s LEU 337 Cb -0.19 -3.18 0.14 0.00 0.03 0.00 0.00 46.19 42.99 1pyg s LEU 337 CO 0.01 -0.92 0.59 0.21 0.23 0.00 0.00 176.35 176.47 1pyg s ASN 338 N 2.05 6.27 0.30 2.29 2.47 -1.21 -1.55 114.94 125.57 1pyg s ASN 338 Ca 0.36 -1.84 0.00 0.00 0.42 0.00 0.00 52.86 51.80 1pyg s ASN 338 Cb -0.11 -2.23 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 1pyg s ASN 338 CO 0.22 -0.88 0.00 -0.67 -3.72 0.00 0.00 177.10 172.05 1pyg n ASP 339 N 5.33 -4.83 0.00 -4.21 -0.08 -0.44 -4.35 116.55 107.97 1pyg n ASP 339 Ca -0.09 0.67 0.01 0.00 -1.51 0.00 0.00 54.79 53.87 1pyg n ASP 339 Cb 0.42 -2.73 0.03 0.00 2.34 0.00 0.00 41.12 41.18 1pyg n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1pyg n THR 340 N -3.48 1.80 0.20 5.18 -2.24 -1.26 -4.06 114.28 110.42 1pyg n THR 340 Ca -0.03 0.45 -0.15 0.00 -2.27 0.00 0.00 64.05 62.05 1pyg n THR 340 Cb 0.39 -1.43 -0.07 0.00 -2.10 0.00 0.00 70.33 67.12 1pyg n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1pyg h HIS 341 N 0.00 -0.82 0.00 4.78 3.86 -1.97 0.17 115.15 121.17 1pyg h HIS 341 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1pyg h HIS 341 Cb 0.02 0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1pyg h HIS 341 CO 0.00 -0.44 0.00 -0.35 0.86 0.00 0.00 177.93 178.00 1pyg n PRO 342 N -5.42 0.76 0.29 2.45 -0.04 -1.26 -4.47 135.00 127.31 1pyg n PRO 342 Ca -0.09 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.55 1pyg n PRO 342 Cb 0.33 -1.16 0.84 0.00 -0.04 0.00 0.00 33.50 33.47 1pyg n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pyg h SER 343 N 0.45 0.00 0.28 3.54 4.64 -0.92 -1.28 113.55 120.25 1pyg h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pyg h SER 343 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1pyg h SER 343 CO 0.00 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 1pyg n LEU 344 N -3.17 0.54 -0.05 5.97 4.77 -1.26 -2.22 117.00 121.58 1pyg n LEU 344 Ca -0.01 0.70 0.25 0.00 -0.03 0.00 0.00 56.01 56.92 1pyg n LEU 344 Cb 0.23 -0.71 0.66 0.00 -2.33 0.00 0.00 43.42 41.28 1pyg n LEU 344 CO 0.26 -0.76 1.22 0.00 -1.33 0.00 0.00 177.39 176.78 1pyg h ALA 345 N 2.11 2.48 0.00 -1.18 0.00 -1.60 0.84 119.26 121.92 1pyg h ALA 345 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pyg h ALA 345 Cb 0.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pyg h ALA 345 CO 0.00 -1.07 -0.03 0.82 0.00 0.00 0.00 179.25 178.97 1pyg h ILE 346 N 0.00 0.00 -0.01 0.00 2.04 -1.69 -2.01 117.51 115.84 1pyg h ILE 346 Ca 0.33 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1pyg h ILE 346 Cb 1.76 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1pyg h ILE 346 CO -0.00 0.00 0.01 1.55 0.00 0.00 0.00 178.15 179.70 1pyg h PRO 347 N -0.59 0.00 0.34 2.37 0.13 -1.68 -1.94 132.00 130.62 1pyg h PRO 347 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1pyg h PRO 347 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1pyg h PRO 347 CO 0.00 0.00 -0.16 1.49 -0.23 0.00 0.00 178.00 179.10 1pyg h GLU 348 N 0.00 -0.44 -0.78 0.86 4.57 -0.97 -0.68 114.58 117.14 1pyg h GLU 348 Ca 0.00 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1pyg h GLU 348 Cb 0.02 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.64 1pyg h GLU 348 CO -0.00 -0.14 0.46 1.25 -1.18 0.00 0.00 179.01 179.40 1pyg h LEU 349 N -0.74 0.69 -1.14 1.64 5.85 -0.87 -0.29 115.31 120.45 1pyg h LEU 349 Ca -0.05 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1pyg h LEU 349 Cb 0.50 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1pyg h LEU 349 CO 0.08 0.43 0.25 0.24 -0.34 0.00 0.00 178.44 179.10 1pyg h MET 350 N 0.82 0.85 -0.63 1.25 2.86 -1.35 -1.60 114.93 117.13 1pyg h MET 350 Ca 0.36 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1pyg h MET 350 Cb 0.23 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1pyg h MET 350 CO -0.20 0.69 0.10 -0.09 1.06 0.00 0.00 176.91 178.47 1pyg h ARG 351 N 0.85 1.04 0.45 1.72 2.43 0.53 -1.39 114.38 120.00 1pyg h ARG 351 Ca 0.20 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1pyg h ARG 351 Cb 0.14 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1pyg h ARG 351 CO -0.02 0.96 -0.22 0.28 -1.51 0.00 0.00 179.97 179.47 1pyg h VAL 352 N 0.95 0.00 -0.68 0.20 2.07 -0.96 -1.09 116.25 116.75 1pyg h VAL 352 Ca 0.19 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1pyg h VAL 352 Cb 0.43 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1pyg h VAL 352 CO 0.01 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.90 1pyg h LEU 353 N -0.76 0.53 0.14 2.57 3.38 -1.27 -0.26 115.31 119.64 1pyg h LEU 353 Ca -0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1pyg h LEU 353 Cb 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1pyg h LEU 353 CO 0.10 0.33 -0.07 0.58 0.09 0.00 0.00 178.44 179.48 1pyg h VAL 354 N 0.67 0.88 -0.00 1.22 2.07 -1.34 0.38 116.25 120.13 1pyg h VAL 354 Ca 0.31 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1pyg h VAL 354 Cb 0.23 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1pyg h VAL 354 CO -0.20 0.24 -0.15 0.44 0.02 0.00 0.00 177.57 177.91 1pyg h ASP 355 N -0.87 0.14 0.00 0.57 3.32 -1.06 -2.36 116.42 116.16 1pyg h ASP 355 Ca -0.02 -0.78 -0.27 0.00 0.02 0.00 0.00 57.03 55.98 1pyg h ASP 355 Cb 0.53 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1pyg h ASP 355 CO 0.03 0.90 -1.49 0.18 -1.72 0.00 0.00 179.24 177.14 1pyg n LEU 356 N -4.59 1.88 -0.25 1.55 4.77 -0.20 -4.31 117.00 115.86 1pyg n LEU 356 Ca -0.10 0.41 0.15 0.00 -0.03 0.00 0.00 56.01 56.44 1pyg n LEU 356 Cb 0.46 -0.94 0.71 0.00 -2.33 0.00 0.00 43.42 41.32 1pyg n LEU 356 CO 0.37 0.32 0.97 -0.62 -1.33 0.00 0.00 177.39 177.10 1pyg n GLU 357 N -4.40 1.31 -1.84 3.23 -0.58 -0.68 -4.93 120.64 112.75 1pyg n GLU 357 Ca -0.36 -0.50 -0.17 0.00 -0.42 0.00 0.00 57.16 55.72 1pyg n GLU 357 Cb 0.71 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 30.05 1pyg n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pyg n ARG 358 N -0.41 -1.59 -2.46 3.49 5.12 -0.80 -4.92 116.66 115.08 1pyg n ARG 358 Ca 0.21 0.91 -0.34 0.00 -1.93 0.00 0.00 57.85 56.70 1pyg n ARG 358 Cb 0.24 -5.34 -0.02 0.00 -1.16 0.00 0.00 32.46 26.18 1pyg n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pyg s LEU 359 N -4.81 3.82 0.53 0.55 1.43 0.06 -4.95 118.68 115.30 1pyg s LEU 359 Ca 0.00 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1pyg s LEU 359 Cb 0.00 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 1pyg s LEU 359 CO 0.00 -0.91 0.91 1.51 0.23 0.00 0.00 176.35 178.10 1pyg s ASP 360 N -1.93 6.37 0.24 2.29 -4.77 -1.26 -4.00 116.67 113.62 1pyg s ASP 360 Ca 0.69 1.28 -0.15 0.00 -3.30 0.00 0.00 52.55 51.07 1pyg s ASP 360 Cb -0.18 -2.40 0.29 0.00 -1.09 0.00 0.00 42.92 39.54 1pyg s ASP 360 CO 0.22 -0.65 1.57 -0.25 0.70 0.00 0.00 175.17 176.75 1pyg h TRP 361 N 0.36 -0.82 -0.55 2.11 2.91 -1.95 -1.15 115.95 116.86 1pyg h TRP 361 Ca -0.46 0.09 -0.08 0.00 1.13 0.00 0.00 58.89 59.57 1pyg h TRP 361 Cb 1.19 0.49 -0.02 0.00 -0.51 0.00 0.00 29.16 30.32 1pyg h TRP 361 CO 0.63 -0.40 0.02 -0.44 -1.03 0.00 0.00 178.44 177.22 1pyg h ASP 362 N -0.03 0.94 -0.07 2.65 3.32 -1.99 0.17 116.42 121.41 1pyg h ASP 362 Ca 0.37 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1pyg h ASP 362 Cb 0.62 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1pyg h ASP 362 CO -0.93 1.00 0.03 0.50 -1.72 0.00 0.00 179.24 178.13 1pyg h LYS 363 N 0.84 0.10 -0.51 3.56 1.63 -1.72 -0.18 116.57 120.30 1pyg h LYS 363 Ca 0.16 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.99 1pyg h LYS 363 Cb 0.51 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 1pyg h LYS 363 CO 0.02 0.23 0.34 0.00 -3.45 0.00 0.00 179.45 176.59 1pyg h ALA 364 N 0.87 1.82 -0.39 5.00 0.00 -0.99 -1.21 119.26 124.37 1pyg h ALA 364 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1pyg h ALA 364 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1pyg h ALA 364 CO -0.00 0.11 -0.09 2.35 0.00 0.00 0.00 179.25 181.62 1pyg h TRP 365 N 0.52 0.83 -0.57 0.00 -0.00 -0.19 -1.24 115.95 115.30 1pyg h TRP 365 Ca 0.21 -0.18 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1pyg h TRP 365 Cb 0.19 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.16 29.12 1pyg h TRP 365 CO -0.00 0.88 0.37 1.49 -0.00 0.00 0.00 178.44 181.18 1pyg h GLU 366 N 0.55 0.75 -0.76 2.65 4.81 0.06 -0.67 114.58 121.97 1pyg h GLU 366 Ca 0.10 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1pyg h GLU 366 Cb 0.61 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1pyg h GLU 366 CO 0.04 0.50 0.43 0.28 -0.73 0.00 0.00 179.01 179.53 1pyg h VAL 367 N 0.77 1.23 0.09 0.32 2.07 -1.10 -2.41 116.25 117.21 1pyg h VAL 367 Ca 0.21 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1pyg h VAL 367 Cb -0.08 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1pyg h VAL 367 CO -0.04 0.24 -0.04 0.74 0.02 0.00 0.00 177.57 178.49 1pyg h THR 368 N 1.05 1.05 -0.25 2.57 2.02 0.02 -1.03 112.91 118.34 1pyg h THR 368 Ca 0.27 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 1pyg h THR 368 Cb 0.01 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1pyg h THR 368 CO -0.05 0.13 -0.32 0.58 0.37 0.00 0.00 175.52 176.23 1pyg h VAL 369 N -0.35 1.28 0.00 3.16 2.07 -1.12 -0.23 116.25 121.05 1pyg h VAL 369 Ca -0.01 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1pyg h VAL 369 Cb 0.30 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1pyg h VAL 369 CO 0.02 0.45 -0.21 0.11 0.02 0.00 0.00 177.57 177.96 1pyg h LYS 370 N 0.45 0.00 0.19 1.57 1.57 -1.30 -2.94 116.57 116.11 1pyg h LYS 370 Ca 0.05 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.49 1pyg h LYS 370 Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.10 1pyg h LYS 370 CO 0.06 0.21 -1.68 1.15 -0.57 0.00 0.00 179.45 178.63 1pyg h THR 371 N 0.00 1.02 -3.32 -0.16 2.02 0.16 -3.47 112.91 109.17 1pyg h THR 371 Ca -0.00 -2.59 -0.52 0.00 0.77 0.00 0.00 66.41 64.07 1pyg h THR 371 Cb 0.75 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 1pyg h THR 371 CO 0.03 0.85 -0.10 0.00 0.37 0.00 0.00 175.52 176.66 1pyg s ALA 373 N -2.08 -0.38 -0.09 0.00 0.00 -0.95 -1.04 121.76 117.21 1pyg s ALA 373 Ca 0.46 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1pyg s ALA 373 Cb -0.11 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1pyg s ALA 373 CO 0.28 -0.23 -0.18 -0.47 0.00 0.00 0.00 175.76 175.16 1pyg s TYR 374 N -1.49 2.10 -0.18 0.00 5.04 -0.55 -1.37 117.35 120.88 1pyg s TYR 374 Ca -0.14 -0.89 -0.08 0.00 -2.44 0.00 0.00 57.07 53.52 1pyg s TYR 374 Cb -0.07 -1.46 -0.04 0.00 0.35 0.00 0.00 41.96 40.74 1pyg s TYR 374 CO 0.01 -0.41 0.08 0.99 -1.34 0.00 0.00 175.55 174.89 1pyg s THR 375 N 0.63 4.96 0.02 4.34 2.01 -0.60 -1.13 115.64 125.87 1pyg s THR 375 Ca -0.14 0.03 0.02 0.00 0.31 0.00 0.00 61.69 61.90 1pyg s THR 375 Cb -0.16 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1pyg s THR 375 CO 0.04 0.46 0.02 0.21 -0.69 0.00 0.00 174.62 174.66 1pyg s ASN 376 N 0.33 5.26 0.00 3.53 3.84 -0.01 -1.33 114.94 126.56 1pyg s ASN 376 Ca 0.05 0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.12 1pyg s ASN 376 Cb -0.12 -1.39 0.00 0.00 -0.55 0.00 0.00 41.25 39.19 1pyg s ASN 376 CO -0.00 0.25 0.46 1.41 -2.79 0.00 0.00 177.10 176.43 1pyg n HIS 377 N 1.16 0.00 -2.95 0.43 8.25 -1.26 -3.94 115.22 116.91 1pyg n HIS 377 Ca -0.13 -0.11 -0.18 0.00 -0.26 0.00 0.00 57.72 57.04 1pyg n HIS 377 Cb 0.52 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.64 1pyg n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1pyg s THR 378 N -0.21 3.00 0.00 1.59 -1.32 -1.26 -4.84 115.64 112.61 1pyg s THR 378 Ca 0.00 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 1pyg s THR 378 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 1pyg s THR 378 CO 0.00 -0.02 0.00 1.33 -2.21 0.00 0.00 174.62 173.72 1pyg n VAL 379 N -1.96 0.00 -3.43 5.08 0.24 -1.26 -4.96 118.33 112.04 1pyg n VAL 379 Ca 0.07 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1pyg n VAL 379 Cb 0.59 0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 33.61 1pyg n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pyg s LEU 380 N -2.31 4.93 0.26 1.34 1.43 -1.26 -4.91 118.68 118.16 1pyg s LEU 380 Ca 0.00 -0.74 0.13 0.00 -1.03 0.00 0.00 54.13 52.50 1pyg s LEU 380 Cb 0.00 -2.22 0.92 0.00 0.03 0.00 0.00 46.19 44.91 1pyg s LEU 380 CO 0.00 -0.44 1.13 -2.65 0.23 0.00 0.00 176.35 174.62 1pyg n PRO 381 N 5.27 -0.04 -0.39 1.29 -0.02 -1.26 -0.47 135.00 139.37 1pyg n PRO 381 Ca -0.10 1.00 -0.06 0.00 -2.02 0.00 0.00 63.50 62.32 1pyg n PRO 381 Cb 0.48 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 1pyg n PRO 381 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pyg n GLU 382 N -4.66 -0.33 -0.03 -0.52 4.71 -1.26 -2.75 120.64 115.79 1pyg n GLU 382 Ca 0.26 1.48 0.09 0.00 -0.01 0.00 0.00 57.16 58.99 1pyg n GLU 382 Cb 0.88 -2.19 0.48 0.00 -1.01 0.00 0.00 31.44 29.59 1pyg n GLU 382 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pyg n ALA 383 N -3.37 2.58 -1.77 0.62 0.00 0.37 -4.92 120.51 114.02 1pyg n ALA 383 Ca 0.06 -0.25 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 1pyg n ALA 383 Cb 0.32 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1pyg n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pyg s LEU 384 N -1.56 3.87 0.08 0.00 1.43 -1.11 -4.95 118.68 116.44 1pyg s LEU 384 Ca 0.29 2.31 -0.30 0.00 -1.03 0.00 0.00 54.13 55.39 1pyg s LEU 384 Cb 0.14 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 1pyg s LEU 384 CO 0.23 -1.15 1.03 -1.61 0.23 0.00 0.00 176.35 175.08 1pyg s GLU 385 N -2.98 4.60 -0.06 1.70 2.02 -1.26 -5.00 118.70 117.71 1pyg s GLU 385 Ca 0.69 1.54 0.01 0.00 0.02 0.00 0.00 54.97 57.22 1pyg s GLU 385 Cb -0.28 -3.38 0.02 0.00 0.10 0.00 0.00 34.13 30.59 1pyg s GLU 385 CO 0.33 0.04 -0.06 1.03 0.02 0.00 0.00 175.26 176.62 1pyg s ARG 386 N 0.38 1.11 -0.13 1.61 0.52 -1.26 -1.67 118.95 119.51 1pyg s ARG 386 Ca 0.51 -0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.53 1pyg s ARG 386 Cb -0.25 -1.09 -0.02 0.00 0.52 0.00 0.00 34.95 34.11 1pyg s ARG 386 CO 0.30 -0.10 -0.10 -1.58 0.02 0.00 0.00 175.30 173.83 1pyg s TRP 387 N 1.08 2.86 0.38 -0.53 0.52 -0.55 -4.89 118.94 117.81 1pyg s TRP 387 Ca -0.08 -0.48 -0.28 0.00 0.02 0.00 0.00 56.10 55.28 1pyg s TRP 387 Cb -0.14 -1.85 -0.10 0.00 -1.15 0.00 0.00 33.47 30.23 1pyg s TRP 387 CO -0.01 -0.11 1.38 -1.25 0.02 0.00 0.00 176.95 176.99 1pyg s PRO 388 N 0.21 4.12 0.57 4.98 0.04 -1.26 0.21 135.00 143.86 1pyg s PRO 388 Ca -0.06 2.35 0.31 0.00 0.04 0.00 0.00 61.00 63.63 1pyg s PRO 388 Cb -0.15 -2.92 1.71 0.00 0.04 0.00 0.00 34.50 33.18 1pyg s PRO 388 CO 0.04 -0.44 2.17 -0.39 0.04 0.00 0.00 177.00 178.43 1pyg h VAL 389 N 2.81 0.44 -0.38 -0.36 -1.51 -1.59 -2.91 116.25 112.76 1pyg h VAL 389 Ca -0.50 -0.28 -0.04 0.00 -1.23 0.00 0.00 66.70 64.65 1pyg h VAL 389 Cb 1.24 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1pyg h VAL 389 CO 0.64 0.06 0.08 1.12 -1.23 0.00 0.00 177.57 178.24 1pyg h HIS 390 N 0.00 0.64 -0.22 5.19 2.07 -1.91 0.78 115.15 121.70 1pyg h HIS 390 Ca -0.00 -0.08 -0.03 0.00 -2.85 0.00 0.00 60.37 57.41 1pyg h HIS 390 Cb 0.19 -0.18 -0.01 0.00 2.57 0.00 0.00 27.41 29.98 1pyg h HIS 390 CO 0.00 0.63 0.01 1.25 -3.07 0.00 0.00 177.93 176.76 1pyg h LEU 391 N 0.46 0.37 -1.69 6.12 5.85 -1.91 -2.58 115.31 121.94 1pyg h LEU 391 Ca 0.12 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1pyg h LEU 391 Cb 0.32 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1pyg h LEU 391 CO 0.00 0.57 0.31 -0.07 -0.34 0.00 0.00 178.44 178.92 1pyg h LEU 392 N 0.16 0.33 -0.03 2.25 3.38 -1.37 -1.23 115.31 118.80 1pyg h LEU 392 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pyg h LEU 392 Cb 0.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1pyg h LEU 392 CO 0.01 0.22 -0.30 -1.84 0.09 0.00 0.00 178.44 176.62 1pyg n GLU 393 N -4.47 0.08 -0.07 1.13 0.28 0.25 0.28 120.64 118.11 1pyg n GLU 393 Ca 0.06 -0.03 -0.07 0.00 -0.16 0.00 0.00 57.16 56.95 1pyg n GLU 393 Cb 0.26 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.58 1pyg n GLU 393 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1pyg h THR 394 N 0.08 0.44 0.08 3.84 2.02 -1.07 -3.35 112.91 114.95 1pyg h THR 394 Ca 0.00 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 1pyg h THR 394 Cb 0.49 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1pyg h THR 394 CO 0.00 0.15 -0.04 0.25 0.37 0.00 0.00 175.52 176.25 1pyg h LEU 395 N -1.00 -0.09 -5.90 2.58 5.85 -1.35 -3.35 115.31 112.05 1pyg h LEU 395 Ca -0.06 -0.48 -0.57 0.00 0.84 0.00 0.00 57.88 57.61 1pyg h LEU 395 Cb 0.55 0.02 -0.41 0.00 0.37 0.00 0.00 40.66 41.19 1pyg h LEU 395 CO -0.04 0.47 -0.78 0.18 -0.34 0.00 0.00 178.44 177.93 1pyg n LEU 396 N -4.87 2.87 0.27 2.25 4.77 0.14 -0.92 117.00 121.51 1pyg n LEU 396 Ca -0.08 -5.30 0.13 0.00 -0.03 0.00 0.00 56.01 50.72 1pyg n LEU 396 Cb 0.28 -0.20 0.75 0.00 -2.33 0.00 0.00 43.42 41.92 1pyg n LEU 396 CO 0.30 2.17 0.99 1.55 -1.33 0.00 0.00 177.39 181.07 1pyg h PRO 397 N 3.69 0.00 -0.11 3.23 0.13 -1.68 -1.14 132.00 136.11 1pyg h PRO 397 Ca 0.14 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.18 1pyg h PRO 397 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1pyg h PRO 397 CO 0.72 0.10 -0.30 -0.09 -0.23 0.00 0.00 178.00 178.19 1pyg h ARG 398 N 0.00 0.40 -0.17 0.86 1.12 -1.91 -3.13 114.38 111.55 1pyg h ARG 398 Ca -0.00 -0.28 -0.17 0.00 -1.11 0.00 0.00 59.98 58.42 1pyg h ARG 398 Cb 0.30 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1pyg h ARG 398 CO 0.01 0.90 -0.59 0.45 -3.11 0.00 0.00 179.97 177.63 1pyg h HIS 399 N -0.03 0.70 -0.31 2.20 3.86 -1.65 -1.18 115.15 118.74 1pyg h HIS 399 Ca -0.01 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 58.92 1pyg h HIS 399 Cb 0.92 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1pyg h HIS 399 CO 0.11 1.00 0.11 1.25 0.86 0.00 0.00 177.93 181.26 1pyg h LEU 400 N 0.41 0.38 -0.35 2.43 5.85 -1.33 0.69 115.31 123.39 1pyg h LEU 400 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1pyg h LEU 400 Cb 1.14 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1pyg h LEU 400 CO 0.11 0.37 0.19 1.56 -0.34 0.00 0.00 178.44 180.33 1pyg h GLN 401 N 0.43 0.49 -0.42 1.25 4.20 -1.18 -0.45 115.11 119.43 1pyg h GLN 401 Ca 0.11 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 1pyg h GLN 401 Cb 0.12 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1pyg h GLN 401 CO -0.01 0.41 -0.20 0.82 -0.67 0.00 0.00 178.83 179.18 1pyg h ILE 402 N 0.44 1.27 -0.48 2.54 2.04 -0.87 -0.10 117.51 122.35 1pyg h ILE 402 Ca 0.12 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.56 1pyg h ILE 402 Cb 0.06 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1pyg h ILE 402 CO -0.02 0.45 -0.11 0.40 0.00 0.00 0.00 178.15 178.87 1pyg h ILE 403 N 0.72 1.26 -0.16 -0.67 2.04 -0.41 -1.59 117.51 118.71 1pyg h ILE 403 Ca 0.10 -1.22 -0.17 0.00 1.00 0.00 0.00 64.86 64.57 1pyg h ILE 403 Cb 0.72 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1pyg h ILE 403 CO 0.06 0.42 -0.62 1.88 0.00 0.00 0.00 178.15 179.89 1pyg h TYR 404 N 0.80 0.71 -0.42 1.37 0.05 -0.80 -1.12 116.97 117.56 1pyg h TYR 404 Ca 0.13 -0.27 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 1pyg h TYR 404 Cb 0.63 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1pyg h TYR 404 CO 0.04 1.03 0.00 1.49 -1.05 0.00 0.00 178.16 179.66 1pyg h GLU 405 N 0.41 0.74 0.13 4.88 4.57 -0.81 0.12 114.58 124.62 1pyg h GLU 405 Ca -0.01 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1pyg h GLU 405 Cb 1.18 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 1pyg h GLU 405 CO 0.12 0.82 -0.24 0.82 -1.18 0.00 0.00 179.01 179.34 1pyg h ILE 406 N 0.57 0.47 -0.39 2.32 2.04 -1.30 -0.95 117.51 120.27 1pyg h ILE 406 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 1pyg h ILE 406 Cb 0.48 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1pyg h ILE 406 CO 0.02 0.00 0.16 -1.13 0.00 0.00 0.00 178.15 177.20 1pyg h ASN 407 N -0.44 0.50 0.15 1.72 -0.00 -0.80 0.30 115.58 117.01 1pyg h ASN 407 Ca 0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.27 1pyg h ASN 407 Cb 0.46 -0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.66 1pyg h ASN 407 CO -0.13 0.46 -0.07 1.56 -0.00 0.00 0.00 177.43 179.25 1pyg h GLN 408 N 0.56 -0.19 -0.34 6.67 4.20 -0.39 0.15 115.11 125.76 1pyg h GLN 408 Ca 0.14 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1pyg h GLN 408 Cb 0.12 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1pyg h GLN 408 CO -0.01 0.10 0.17 0.00 -0.67 0.00 0.00 178.83 178.41 1pyg h ARG 409 N -0.48 0.49 0.05 1.46 3.08 -0.82 -1.05 114.38 117.10 1pyg h ARG 409 Ca -0.02 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1pyg h ARG 409 Cb 0.38 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1pyg h ARG 409 CO 0.03 0.43 -0.14 0.35 -1.07 0.00 0.00 179.97 179.57 1pyg h PHE 410 N 0.42 -0.37 0.00 3.04 3.57 -0.96 -0.64 116.94 122.00 1pyg h PHE 410 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1pyg h PHE 410 Cb 0.10 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1pyg h PHE 410 CO -0.02 -0.22 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.66 1pyg h LEU 411 N -0.27 0.00 -0.92 0.59 4.07 -0.72 -0.53 115.31 117.53 1pyg h LEU 411 Ca 0.03 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 1pyg h LEU 411 Cb 0.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1pyg h LEU 411 CO -0.10 0.11 -0.50 0.78 -1.08 0.00 0.00 178.44 177.64 1pyg h ASN 412 N 0.00 0.09 -0.34 -0.43 -0.26 0.19 -2.20 115.58 112.62 1pyg h ASN 412 Ca -0.00 -0.04 -0.13 0.00 -0.56 0.00 0.00 56.30 55.57 1pyg h ASN 412 Cb 0.31 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1pyg h ASN 412 CO 0.01 0.58 -0.29 0.03 -1.06 0.00 0.00 177.43 176.71 1pyg h ARG 413 N 0.06 0.80 -0.26 0.81 3.08 -0.09 -2.56 114.38 116.22 1pyg h ARG 413 Ca -0.00 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.56 1pyg h ARG 413 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1pyg h ARG 413 CO 0.07 1.03 -0.20 -0.39 -1.07 0.00 0.00 179.97 179.41 1pyg h VAL 414 N 0.58 1.25 -0.20 2.04 -1.51 -1.21 -2.21 116.25 114.99 1pyg h VAL 414 Ca 0.06 -1.15 0.03 0.00 -1.23 0.00 0.00 66.70 64.41 1pyg h VAL 414 Cb 0.86 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.26 1pyg h VAL 414 CO 0.07 0.37 0.01 0.00 -1.23 0.00 0.00 177.57 176.79 1pyg h ALA 415 N 1.37 0.17 -0.09 5.19 0.00 -1.21 0.45 119.26 125.14 1pyg h ALA 415 Ca 0.07 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1pyg h ALA 415 Cb 0.59 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1pyg h ALA 415 CO 0.04 -0.43 -0.48 0.00 0.00 0.00 0.00 179.25 178.38 1pyg h ALA 416 N 1.16 1.01 0.00 0.00 0.00 -1.38 -2.87 119.26 117.17 1pyg h ALA 416 Ca 0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1pyg h ALA 416 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1pyg h ALA 416 CO -0.15 0.64 -0.20 0.00 0.00 0.00 0.00 179.25 179.55 1pyg h ALA 417 N 1.30 1.12 -1.86 0.00 0.00 -0.53 -3.35 119.26 115.95 1pyg h ALA 417 Ca 0.01 -0.18 -0.42 0.00 0.00 0.00 0.00 54.91 54.32 1pyg h ALA 417 Cb 0.93 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.39 1pyg h ALA 417 CO 0.07 0.25 -0.78 -0.06 0.00 0.00 0.00 179.25 178.73 1pyg s PHE 418 N -3.86 0.01 0.72 0.00 0.40 0.01 -5.08 117.98 110.18 1pyg s PHE 418 Ca -0.01 -1.56 -0.15 0.00 -0.60 0.00 0.00 56.93 54.61 1pyg s PHE 418 Cb 0.11 -0.44 0.03 0.00 0.51 0.00 0.00 43.02 43.24 1pyg s PHE 418 CO 0.62 -1.00 1.18 -2.14 0.70 0.00 0.00 175.22 174.58 1pyg s PRO 419 N 0.49 2.26 0.00 0.24 0.02 -1.09 -3.47 135.00 133.46 1pyg s PRO 419 Ca 0.30 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1pyg s PRO 419 Cb 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1pyg s PRO 419 CO -0.13 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.24 1pyg n GLY 420 N 0.11 2.07 0.14 0.52 0.00 -1.26 -4.89 105.19 101.87 1pyg n GLY 420 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1pyg n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pyg n ASP 421 N 3.95 0.00 0.28 1.61 -0.08 -1.23 -4.80 116.55 116.29 1pyg n ASP 421 Ca 0.00 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.35 1pyg n ASP 421 Cb 0.00 0.00 0.36 0.00 2.34 0.00 0.00 41.12 43.82 1pyg n ASP 421 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1pyg h VAL 422 N 0.03 0.00 0.00 5.18 -1.51 -1.90 0.41 116.25 118.46 1pyg h VAL 422 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.34 1pyg h VAL 422 Cb 0.00 0.29 -0.02 0.00 -2.13 0.00 0.00 31.29 29.43 1pyg h VAL 422 CO 0.00 0.00 -0.81 -0.78 -1.23 0.00 0.00 177.57 174.75 1pyg h ASP 423 N 0.00 0.00 -0.53 4.19 3.58 -2.00 -2.71 116.42 118.95 1pyg h ASP 423 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1pyg h ASP 423 Cb 1.22 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.23 1pyg h ASP 423 CO 0.00 0.56 0.33 -0.09 -2.88 0.00 0.00 179.24 177.16 1pyg h ARG 424 N 0.00 0.64 -0.09 0.28 2.43 -0.57 0.09 114.38 117.16 1pyg h ARG 424 Ca -0.05 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1pyg h ARG 424 Cb 1.47 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1pyg h ARG 424 CO 0.06 0.42 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.39 1pyg h LEU 425 N 0.66 -1.50 -1.08 3.80 3.38 -1.57 0.30 115.31 119.30 1pyg h LEU 425 Ca 0.21 0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.49 1pyg h LEU 425 Cb -0.01 0.59 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1pyg h LEU 425 CO -0.08 -0.47 0.62 -0.09 0.09 0.00 0.00 178.44 178.51 1pyg h ARG 426 N -0.57 0.90 -0.15 1.13 2.43 -1.03 -0.49 114.38 116.60 1pyg h ARG 426 Ca 0.05 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1pyg h ARG 426 Cb 0.67 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1pyg h ARG 426 CO -0.40 0.60 -0.35 0.00 -1.51 0.00 0.00 179.97 178.31 1pyg h ARG 427 N 0.93 0.32 -0.00 0.20 3.08 0.07 -3.16 114.38 115.81 1pyg h ARG 427 Ca 0.49 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1pyg h ARG 427 Cb 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1pyg h ARG 427 CO -0.25 0.63 -0.79 -1.33 -1.07 0.00 0.00 179.97 177.16 1pyg n MET 428 N -4.07 0.02 -0.72 0.04 2.81 0.96 -4.98 117.12 111.18 1pyg n MET 428 Ca -0.01 -0.02 -0.32 0.00 -1.81 0.00 0.00 57.70 55.54 1pyg n MET 428 Cb 0.44 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.60 1pyg n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pyg n SER 429 N -1.47 -0.94 -0.02 7.83 2.88 -0.86 -4.95 113.62 116.08 1pyg n SER 429 Ca 0.05 0.34 0.02 0.00 -1.33 0.00 0.00 58.87 57.94 1pyg n SER 429 Cb 0.33 -1.33 -0.13 0.00 -0.75 0.00 0.00 64.21 62.33 1pyg n SER 429 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1pyg n LEU 430 N -2.85 0.29 -4.72 2.46 4.32 -1.26 -4.78 117.00 110.45 1pyg n LEU 430 Ca 0.09 0.12 -0.37 0.00 -0.02 0.00 0.00 56.01 55.83 1pyg n LEU 430 Cb 0.53 0.17 -0.07 0.00 -1.62 0.00 0.00 43.42 42.44 1pyg n LEU 430 CO 0.50 0.18 0.08 -0.69 -1.22 0.00 0.00 177.39 176.24 1pyg s VAL 431 N -3.03 5.24 -0.17 4.08 1.01 -1.26 -0.15 120.40 126.12 1pyg s VAL 431 Ca -0.07 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1pyg s VAL 431 Cb 0.10 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1pyg s VAL 431 CO 0.85 0.35 -0.07 -1.61 0.00 0.00 0.00 175.10 174.63 1pyg s GLU 432 N 0.57 3.49 0.22 2.72 2.02 0.82 -4.95 118.70 123.60 1pyg s GLU 432 Ca 0.21 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.64 1pyg s GLU 432 Cb -0.14 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 1pyg s GLU 432 CO 0.07 0.10 0.35 -1.83 0.02 0.00 0.00 175.26 173.97 1pyg s GLU 433 N 0.70 3.45 0.00 1.61 4.04 -1.26 -1.07 118.70 126.16 1pyg s GLU 433 Ca -0.03 -0.69 0.00 0.00 0.04 0.00 0.00 54.97 54.29 1pyg s GLU 433 Cb -0.15 -2.89 0.00 0.00 0.02 0.00 0.00 34.13 31.11 1pyg s GLU 433 CO 0.02 0.43 0.00 0.41 -1.84 0.00 0.00 175.26 174.28 1pyg n GLY 434 N -1.22 2.61 5.28 -3.83 0.00 -1.26 -4.93 105.19 101.84 1pyg n GLY 434 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1pyg n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg n ALA 435 N 0.00 0.00 -2.76 4.61 0.00 -1.26 -4.58 120.51 116.52 1pyg n ALA 435 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1pyg n ALA 435 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1pyg n ALA 435 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pyg s VAL 436 N 0.00 3.84 -0.37 0.00 1.01 -1.26 -5.07 120.40 118.55 1pyg s VAL 436 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1pyg s VAL 436 Cb 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1pyg s VAL 436 CO 0.00 0.56 1.09 -0.75 0.00 0.00 0.00 175.10 175.99 1pyg s LYS 437 N -0.32 3.96 0.00 2.72 2.20 -1.26 -4.72 119.74 122.33 1pyg s LYS 437 Ca 0.05 0.91 0.07 0.00 -0.36 0.00 0.00 55.97 56.64 1pyg s LYS 437 Cb -0.12 -3.79 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1pyg s LYS 437 CO 0.02 -1.04 -0.20 1.03 -0.36 0.00 0.00 175.35 174.80 1pyg s ARG 438 N 3.87 2.14 0.03 4.03 3.00 -0.24 -1.46 118.95 130.33 1pyg s ARG 438 Ca 0.46 -0.92 -0.27 0.00 0.00 0.00 0.00 55.73 55.00 1pyg s ARG 438 Cb -0.11 -2.17 -0.05 0.00 0.00 0.00 0.00 34.95 32.63 1pyg s ARG 438 CO 0.20 0.56 0.84 0.42 0.00 0.00 0.00 175.30 177.32 1pyg s ILE 439 N -0.78 4.77 -0.55 1.52 -1.09 0.13 -0.12 121.20 125.07 1pyg s ILE 439 Ca 0.12 1.77 -0.19 0.00 -2.23 0.00 0.00 60.65 60.13 1pyg s ILE 439 Cb -0.10 -4.19 0.09 0.00 -1.58 0.00 0.00 42.46 36.68 1pyg s ILE 439 CO 0.02 0.29 0.65 0.21 -1.23 0.00 0.00 174.94 174.89 1pyg s ASN 440 N 0.32 6.20 0.42 3.58 3.84 0.78 -1.49 114.94 128.59 1pyg s ASN 440 Ca 0.43 -1.26 0.10 0.00 0.21 0.00 0.00 52.86 52.34 1pyg s ASN 440 Cb -0.21 -2.29 0.91 0.00 -0.55 0.00 0.00 41.25 39.11 1pyg s ASN 440 CO 0.25 -1.00 2.01 0.24 -2.79 0.00 0.00 177.10 175.80 1pyg h MET 441 N 9.09 0.29 -0.70 0.43 2.86 -1.63 -2.59 114.93 122.67 1pyg h MET 441 Ca -0.29 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.25 1pyg h MET 441 Cb 1.09 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 1pyg h MET 441 CO 1.04 0.30 0.18 0.00 1.06 0.00 0.00 176.91 179.49 1pyg h ALA 442 N 1.75 1.00 0.00 6.32 0.00 -1.93 -0.48 119.26 125.91 1pyg h ALA 442 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1pyg h ALA 442 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1pyg h ALA 442 CO -0.00 0.65 -0.19 0.45 0.00 0.00 0.00 179.25 180.16 1pyg h HIS 443 N 1.05 0.00 0.11 0.00 3.86 -1.83 -0.19 115.15 118.15 1pyg h HIS 443 Ca 0.22 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1pyg h HIS 443 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1pyg h HIS 443 CO 0.03 0.19 -0.05 1.25 0.86 0.00 0.00 177.93 180.21 1pyg h LEU 444 N 0.00 -0.12 -0.67 2.43 5.85 -1.04 -2.26 115.31 119.50 1pyg h LEU 444 Ca -0.00 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.40 1pyg h LEU 444 Cb 0.55 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1pyg h LEU 444 CO 0.02 0.36 0.36 0.00 -0.34 0.00 0.00 178.44 178.84 1pyg h ILE 446 N 0.65 1.24 -0.75 0.00 2.04 -1.12 -0.88 117.51 118.68 1pyg h ILE 446 Ca 0.31 -0.73 0.17 0.00 1.00 0.00 0.00 64.86 65.61 1pyg h ILE 446 Cb 0.25 1.62 -0.11 0.00 -0.74 0.00 0.00 36.82 37.83 1pyg h ILE 446 CO -0.21 0.20 0.17 0.00 0.00 0.00 0.00 178.15 178.31 1pyg h ALA 447 N 0.73 0.97 -0.68 1.87 0.00 -0.89 -2.52 119.26 118.75 1pyg h ALA 447 Ca 0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pyg h ALA 447 Cb 0.32 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pyg h ALA 447 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.31 1pyg n GLY 448 N -1.36 2.70 3.47 0.00 0.00 -0.16 -4.96 105.19 104.88 1pyg n GLY 448 Ca 0.15 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1pyg n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pyg s SER 449 N -0.92 3.42 0.00 1.61 0.01 -0.36 -3.95 113.70 113.51 1pyg s SER 449 Ca 0.52 -1.08 0.20 0.00 1.31 0.00 0.00 55.95 56.89 1pyg s SER 449 Cb 0.32 -0.28 0.13 0.00 0.21 0.00 0.00 66.02 66.40 1pyg s SER 449 CO 0.27 -0.08 1.09 0.00 0.41 0.00 0.00 173.24 174.93 1pyg n HIS 450 N -0.63 0.00 -3.66 2.43 1.44 -0.21 -4.90 115.22 109.69 1pyg n HIS 450 Ca -0.05 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.57 1pyg n HIS 450 Cb 0.61 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.64 1pyg n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pyg s ALA 451 N -1.73 -1.53 -0.04 1.59 0.00 -1.26 -4.62 121.76 114.17 1pyg s ALA 451 Ca 0.22 2.05 0.07 0.00 0.00 0.00 0.00 51.96 54.29 1pyg s ALA 451 Cb 0.16 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1pyg s ALA 451 CO 0.29 -0.34 -0.24 0.14 0.00 0.00 0.00 175.76 175.61 1pyg s VAL 452 N 1.56 1.92 0.13 0.00 -7.23 -0.77 -1.48 120.40 114.52 1pyg s VAL 452 Ca -0.10 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1pyg s VAL 452 Cb -0.06 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1pyg s VAL 452 CO -0.17 0.54 0.00 0.54 -0.31 0.00 0.00 175.10 175.70 1pyg s ASN 453 N -0.34 0.84 0.36 4.85 4.22 -0.28 -1.81 114.94 122.77 1pyg s ASN 453 Ca 0.03 -1.14 0.08 0.00 -2.14 0.00 0.00 52.86 49.69 1pyg s ASN 453 Cb -0.11 0.18 -0.05 0.00 1.28 0.00 0.00 41.25 42.54 1pyg s ASN 453 CO 0.01 -0.60 0.08 -0.83 -2.04 0.00 0.00 177.10 173.72 1pyg s GLY 454 N -3.08 2.10 -0.16 0.45 0.00 -1.16 -0.83 107.32 104.64 1pyg s GLY 454 Ca 0.20 -1.96 0.13 0.00 0.00 0.00 0.00 44.72 43.08 1pyg s GLY 454 CO 0.00 -1.87 1.50 3.33 0.00 0.00 0.00 173.10 176.06 1pyg n VAL 455 N -1.06 1.97 -3.64 1.40 0.24 -1.25 -0.64 118.33 115.34 1pyg n VAL 455 Ca -0.03 -1.07 -0.07 0.00 -2.04 0.00 0.00 64.34 61.12 1pyg n VAL 455 Cb 0.63 -0.18 -0.07 0.00 -1.47 0.00 0.00 33.84 32.74 1pyg n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pyg s ALA 456 N -2.19 -2.04 0.18 2.33 0.00 -1.26 -1.92 121.76 116.85 1pyg s ALA 456 Ca 0.44 1.82 -0.19 0.00 0.00 0.00 0.00 51.96 54.02 1pyg s ALA 456 Cb 0.31 -1.52 0.13 0.00 0.00 0.00 0.00 23.12 22.04 1pyg s ALA 456 CO 0.16 -0.20 1.37 -2.13 0.00 0.00 0.00 175.76 174.96 1pyg n ARG 457 N 2.02 -0.26 -0.22 0.00 0.63 -1.26 -2.01 116.66 115.55 1pyg n ARG 457 Ca -0.12 1.35 -0.09 0.00 -0.92 0.00 0.00 57.85 58.08 1pyg n ARG 457 Cb 0.56 -2.00 0.03 0.00 0.45 0.00 0.00 32.46 31.50 1pyg n ARG 457 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1pyg h ILE 458 N 0.00 1.27 0.30 5.15 1.08 -1.96 -1.57 117.51 121.77 1pyg h ILE 458 Ca 0.26 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1pyg h ILE 458 Cb 0.48 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1pyg h ILE 458 CO -0.86 0.41 -0.15 -0.74 -0.69 0.00 0.00 178.15 176.12 1pyg h HIS 459 N 1.00 -0.38 -0.80 1.37 -0.00 -1.78 0.64 115.15 115.21 1pyg h HIS 459 Ca 0.18 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.54 1pyg h HIS 459 Cb 0.53 0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 28.03 1pyg h HIS 459 CO 0.04 -0.20 0.49 0.77 -0.00 0.00 0.00 177.93 179.03 1pyg h SER 460 N -0.46 0.95 -0.68 3.26 0.02 -1.32 0.10 113.55 115.42 1pyg h SER 460 Ca -0.04 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1pyg h SER 460 Cb 0.35 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1pyg h SER 460 CO 0.07 0.72 0.44 -0.33 -1.14 0.00 0.00 176.83 176.59 1pyg h GLU 461 N 1.10 0.85 -0.46 3.45 4.39 -0.70 -2.14 114.58 121.06 1pyg h GLU 461 Ca 0.29 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 1pyg h GLU 461 Cb -0.06 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 1pyg h GLU 461 CO -0.06 0.56 0.18 0.82 -1.16 0.00 0.00 179.01 179.36 1pyg h ILE 462 N 0.87 1.17 -0.66 3.13 2.04 0.14 0.35 117.51 124.55 1pyg h ILE 462 Ca 0.26 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 1pyg h ILE 462 Cb -0.05 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1pyg h ILE 462 CO -0.08 0.21 0.20 -0.07 0.00 0.00 0.00 178.15 178.41 1pyg h LEU 463 N 0.65 0.95 -0.03 1.44 3.38 -0.35 0.34 115.31 121.68 1pyg h LEU 463 Ca 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1pyg h LEU 463 Cb 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1pyg h LEU 463 CO -0.02 0.89 -0.15 0.11 0.09 0.00 0.00 178.44 179.37 1pyg h LYS 464 N 0.98 0.16 -0.26 1.13 6.56 -0.95 0.11 116.57 124.31 1pyg h LYS 464 Ca 0.22 -0.13 -0.12 0.00 -1.06 0.00 0.00 60.65 59.56 1pyg h LYS 464 Cb 0.29 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1pyg h LYS 464 CO -0.01 0.78 -0.30 0.87 -2.06 0.00 0.00 179.45 178.73 1pyg h LYS 465 N -0.41 0.66 0.00 3.15 6.56 -0.21 -3.23 116.57 123.09 1pyg h LYS 465 Ca -0.01 -0.37 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 1pyg h LYS 465 Cb 0.81 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 1pyg h LYS 465 CO 0.03 0.98 0.00 0.25 -2.06 0.00 0.00 179.45 178.65 1pyg n THR 466 N -4.28 0.79 0.02 -0.16 -2.24 0.11 -4.68 114.28 103.85 1pyg n THR 466 Ca -0.04 0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1pyg n THR 466 Cb 0.48 -1.24 -0.07 0.00 -2.10 0.00 0.00 70.33 67.40 1pyg n THR 466 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1pyg h ILE 467 N 0.00 1.05 -0.40 2.28 2.04 -1.50 -3.20 117.51 117.77 1pyg h ILE 467 Ca 0.00 -0.12 -0.30 0.00 1.00 0.00 0.00 64.86 65.44 1pyg h ILE 467 Cb 0.00 1.06 -0.26 0.00 -0.74 0.00 0.00 36.82 36.87 1pyg h ILE 467 CO 0.00 0.04 -0.74 0.49 0.00 0.00 0.00 178.15 177.94 1pyg n PHE 468 N -5.04 1.45 -0.25 1.37 3.72 0.38 -4.87 117.46 114.22 1pyg n PHE 468 Ca -0.06 -1.84 0.04 0.00 -0.05 0.00 0.00 57.45 55.53 1pyg n PHE 468 Cb 0.05 -0.29 0.17 0.00 -0.94 0.00 0.00 39.48 38.47 1pyg n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1pyg h LYS 469 N 1.70 0.49 -0.12 -1.08 3.64 -1.55 0.93 116.57 120.58 1pyg h LYS 469 Ca 0.16 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1pyg h LYS 469 Cb 1.34 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1pyg h LYS 469 CO 0.39 0.32 -0.22 -0.44 -2.27 0.00 0.00 179.45 177.23 1pyg h ASP 470 N 0.50 0.19 0.38 4.20 3.32 -1.88 0.43 116.42 123.57 1pyg h ASP 470 Ca 0.39 -0.05 -0.23 0.00 0.02 0.00 0.00 57.03 57.16 1pyg h ASP 470 Cb 0.53 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1pyg h ASP 470 CO -0.35 0.43 -0.99 -0.26 -1.72 0.00 0.00 179.24 176.35 1pyg h PHE 471 N 0.19 0.59 -0.29 4.55 0.04 -1.49 -0.02 116.94 120.51 1pyg h PHE 471 Ca 0.03 -0.34 -0.02 0.00 2.80 0.00 0.00 57.97 60.45 1pyg h PHE 471 Cb 0.50 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1pyg h PHE 471 CO 0.01 1.17 0.10 -0.92 -0.60 0.00 0.00 178.31 178.07 1pyg h TYR 472 N 0.21 0.46 -0.42 -0.55 3.20 -0.49 -0.32 116.97 119.06 1pyg h TYR 472 Ca -0.09 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.76 1pyg h TYR 472 Cb 1.63 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.74 1pyg h TYR 472 CO 0.06 0.47 0.26 0.93 -1.64 0.00 0.00 178.16 178.23 1pyg h GLU 473 N 0.32 0.50 -0.32 1.82 5.08 -0.75 -1.87 114.58 119.36 1pyg h GLU 473 Ca 0.10 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1pyg h GLU 473 Cb 0.21 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1pyg h GLU 473 CO -0.01 0.33 0.01 1.25 -1.00 0.00 0.00 179.01 179.60 1pyg h LEU 474 N 0.52 0.54 -5.94 1.33 5.85 -0.89 -3.40 115.31 113.34 1pyg h LEU 474 Ca 0.16 -0.30 -0.54 0.00 0.84 0.00 0.00 57.88 58.04 1pyg h LEU 474 Cb -0.01 -0.15 -0.40 0.00 0.37 0.00 0.00 40.66 40.47 1pyg h LEU 474 CO -0.06 0.71 -1.01 -0.62 -0.34 0.00 0.00 178.44 177.12 1pyg n GLU 475 N -4.56 1.37 -0.31 1.25 1.02 -0.14 -4.99 120.64 114.29 1pyg n GLU 475 Ca -0.02 -3.68 0.17 0.00 -0.02 0.00 0.00 57.16 53.60 1pyg n GLU 475 Cb 0.25 -1.66 0.42 0.00 -0.02 0.00 0.00 31.44 30.44 1pyg n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1pyg h PRO 476 N 3.54 0.56 0.00 3.49 0.13 -1.52 -0.20 132.00 138.00 1pyg h PRO 476 Ca 0.11 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1pyg h PRO 476 Cb 0.83 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1pyg h PRO 476 CO 0.57 0.37 0.28 1.12 -0.23 0.00 0.00 178.00 180.11 1pyg h HIS 477 N 0.58 0.00 0.01 1.56 2.07 -1.94 -2.76 115.15 114.67 1pyg h HIS 477 Ca 0.53 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.86 1pyg h HIS 477 Cb 1.08 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.05 1pyg h HIS 477 CO -0.00 0.00 -0.90 0.87 -3.07 0.00 0.00 177.93 174.83 1pyg h LYS 478 N 0.00 0.13 -6.72 5.12 1.57 -1.28 -3.46 116.57 111.92 1pyg h LYS 478 Ca 0.00 -0.15 -0.51 0.00 -1.87 0.00 0.00 60.65 58.12 1pyg h LYS 478 Cb 0.56 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.93 1pyg h LYS 478 CO 0.00 0.94 0.49 -0.06 -0.57 0.00 0.00 179.45 180.25 1pyg s PHE 479 N -3.11 3.55 0.27 -1.35 0.40 -1.04 -1.85 117.98 114.85 1pyg s PHE 479 Ca -0.02 1.60 -0.09 0.00 -0.60 0.00 0.00 56.93 57.82 1pyg s PHE 479 Cb 0.10 -3.31 -0.00 0.00 0.51 0.00 0.00 43.02 40.32 1pyg s PHE 479 CO 0.82 -0.71 0.47 -0.65 0.70 0.00 0.00 175.22 175.85 1pyg s GLN 480 N -0.81 1.65 0.02 0.44 -0.21 -0.75 -4.91 119.66 115.09 1pyg s GLN 480 Ca 0.48 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1pyg s GLN 480 Cb -0.31 0.46 -0.01 0.00 1.00 0.00 0.00 33.01 34.14 1pyg s GLN 480 CO 0.38 -0.68 -0.06 1.21 -2.12 0.00 0.00 175.29 174.02 1pyg s ASN 481 N -3.09 0.68 -0.39 5.90 2.47 -1.26 -2.99 114.94 116.26 1pyg s ASN 481 Ca 0.25 -0.33 0.03 0.00 0.42 0.00 0.00 52.86 53.23 1pyg s ASN 481 Cb -0.00 -0.01 0.16 0.00 -1.45 0.00 0.00 41.25 39.95 1pyg s ASN 481 CO 0.12 -0.09 0.35 -0.54 -3.72 0.00 0.00 177.10 173.22 1pyg s LYS 482 N -0.89 0.76 0.13 0.43 -0.14 0.19 -4.91 119.74 115.31 1pyg s LYS 482 Ca -0.05 -1.52 -0.31 0.00 -1.36 0.00 0.00 55.97 52.73 1pyg s LYS 482 Cb -0.06 -1.11 -0.10 0.00 -1.68 0.00 0.00 37.83 34.88 1pyg s LYS 482 CO 0.00 -1.29 1.81 0.99 -0.76 0.00 0.00 175.35 176.10 1pyg s THR 483 N 0.72 2.50 1.06 2.17 2.01 -1.26 -4.22 115.64 118.62 1pyg s THR 483 Ca 0.25 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.13 1pyg s THR 483 Cb -0.08 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.41 1pyg s THR 483 CO -0.09 0.00 -0.25 0.59 -0.69 0.00 0.00 174.62 174.19 1pyg n ASN 484 N 5.47 -2.66 -3.59 3.53 5.03 -0.81 -4.60 115.26 117.64 1pyg n ASN 484 Ca 0.17 -0.01 -0.10 0.00 0.87 0.00 0.00 54.58 55.52 1pyg n ASN 484 Cb 0.38 -0.91 -0.03 0.00 -1.02 0.00 0.00 39.78 38.20 1pyg n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1pyg s GLY 485 N -1.67 0.67 0.15 7.41 0.00 -1.26 -4.80 107.32 107.82 1pyg s GLY 485 Ca 0.52 -0.95 0.10 0.00 0.00 0.00 0.00 44.72 44.39 1pyg s GLY 485 CO 0.67 -0.60 -0.24 -0.26 0.00 0.00 0.00 173.10 172.67 1pyg s ILE 486 N -3.44 2.16 -0.07 0.90 -4.36 -0.14 -4.55 121.20 111.69 1pyg s ILE 486 Ca 0.22 -1.84 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 1pyg s ILE 486 Cb -0.02 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1pyg s ILE 486 CO 0.12 -0.05 1.14 0.28 0.24 0.00 0.00 174.94 176.68 1pyg s THR 487 N -1.39 4.40 -1.54 8.37 -1.32 -1.26 0.65 115.64 123.56 1pyg s THR 487 Ca 0.15 1.71 0.00 0.00 -1.21 0.00 0.00 61.69 62.34 1pyg s THR 487 Cb -0.09 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 66.80 1pyg s THR 487 CO 0.07 0.00 0.40 -0.81 -2.21 0.00 0.00 174.62 172.07 1pyg n PRO 488 N 5.10 0.00 0.00 7.08 -0.04 -1.26 -2.35 135.00 143.53 1pyg n PRO 488 Ca 0.10 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1pyg n PRO 488 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1pyg n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pyg n ARG 489 N -0.90 0.00 -0.33 0.54 3.00 -1.26 -2.35 116.66 115.36 1pyg n ARG 489 Ca 0.00 0.16 0.07 0.00 -0.01 0.00 0.00 57.85 58.07 1pyg n ARG 489 Cb 0.00 -0.59 0.25 0.00 0.00 0.00 0.00 32.46 32.13 1pyg n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1pyg h ARG 490 N 0.00 0.95 -0.37 5.56 2.43 -1.97 0.12 114.38 121.10 1pyg h ARG 490 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1pyg h ARG 490 Cb 0.00 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1pyg h ARG 490 CO 0.00 0.63 0.00 0.91 -1.51 0.00 0.00 179.97 180.00 1pyg n TRP 491 N -4.56 0.50 0.00 2.20 5.03 -0.99 -2.83 117.44 116.79 1pyg n TRP 491 Ca 0.17 -0.24 0.00 0.00 3.03 0.00 0.00 57.50 60.46 1pyg n TRP 491 Cb 0.31 -0.01 0.00 0.00 -1.03 0.00 0.00 31.31 30.58 1pyg n TRP 491 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 1pyg n LEU 492 N 0.55 0.00 0.26 -0.99 7.94 -1.07 -4.80 117.00 118.89 1pyg n LEU 492 Ca 0.12 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.15 1pyg n LEU 492 Cb 0.31 0.21 0.70 0.00 0.53 0.00 0.00 43.42 45.17 1pyg n LEU 492 CO 0.08 -0.34 0.95 -0.37 -1.11 0.00 0.00 177.39 176.60 1pyg h VAL 493 N 0.00 0.46 0.00 1.96 -1.51 -1.05 0.48 116.25 116.59 1pyg h VAL 493 Ca 0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1pyg h VAL 493 Cb 0.00 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1pyg h VAL 493 CO 0.00 0.12 -0.07 0.25 -1.23 0.00 0.00 177.57 176.64 1pyg h LEU 494 N 0.00 0.00 -0.67 4.19 6.46 -1.16 -3.17 115.31 120.95 1pyg h LEU 494 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1pyg h LEU 494 Cb 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1pyg h LEU 494 CO 0.02 0.51 0.00 0.00 -0.62 0.00 0.00 178.44 178.34 1pyg n ASN 496 N -2.39 -0.03 -0.11 0.00 4.05 0.17 -4.81 115.26 112.14 1pyg n ASN 496 Ca 0.03 -3.04 0.17 0.00 0.45 0.00 0.00 54.58 52.18 1pyg n ASN 496 Cb 0.28 -0.11 0.56 0.00 1.23 0.00 0.00 39.78 41.74 1pyg n ASN 496 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1pyg h PRO 497 N 3.33 0.28 -0.20 1.20 0.13 -1.68 -1.55 132.00 133.51 1pyg h PRO 497 Ca 0.05 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1pyg h PRO 497 Cb 0.97 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1pyg h PRO 497 CO 0.43 0.19 0.07 0.78 -0.23 0.00 0.00 178.00 179.23 1pyg h GLY 498 N 0.29 0.33 0.76 1.56 0.00 -1.92 0.71 103.07 104.79 1pyg h GLY 498 Ca 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1pyg h GLY 498 CO -0.08 0.18 0.01 -2.00 0.00 0.00 0.00 176.54 174.64 1pyg h LEU 499 N 0.16 0.10 -1.49 3.11 6.46 -1.68 -2.61 115.31 119.35 1pyg h LEU 499 Ca 0.06 -0.27 0.13 0.00 -0.12 0.00 0.00 57.88 57.68 1pyg h LEU 499 Cb 0.21 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 1pyg h LEU 499 CO -0.00 0.35 0.50 0.00 -0.62 0.00 0.00 178.44 178.67 1pyg h ALA 500 N 0.76 1.97 0.12 1.25 0.00 -1.27 0.02 119.26 122.10 1pyg h ALA 500 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pyg h ALA 500 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pyg h ALA 500 CO 0.00 -0.16 -0.06 0.93 0.00 0.00 0.00 179.25 179.97 1pyg h GLU 501 N 0.53 -0.15 0.00 0.00 4.39 -0.58 0.10 114.58 118.87 1pyg h GLU 501 Ca 0.37 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.95 1pyg h GLU 501 Cb 0.68 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1pyg h GLU 501 CO -0.13 -0.02 -0.61 -0.84 -1.16 0.00 0.00 179.01 176.25 1pyg h ILE 502 N -0.25 1.42 -0.36 3.13 3.07 -0.91 0.74 117.51 124.34 1pyg h ILE 502 Ca -0.02 -2.10 -0.07 0.00 1.55 0.00 0.00 64.86 64.23 1pyg h ILE 502 Cb 0.21 2.14 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 1pyg h ILE 502 CO 0.03 0.60 -0.03 0.40 -1.05 0.00 0.00 178.15 178.09 1pyg h ILE 503 N 0.00 1.27 -0.64 0.16 2.04 -0.68 -2.93 117.51 116.72 1pyg h ILE 503 Ca -0.01 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 1pyg h ILE 503 Cb 1.09 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1pyg h ILE 503 CO 0.08 0.35 0.08 0.00 0.00 0.00 0.00 178.15 178.66 1pyg h ALA 504 N 0.85 0.86 0.00 1.87 0.00 -0.58 -0.14 119.26 122.11 1pyg h ALA 504 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pyg h ALA 504 Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pyg h ALA 504 CO 0.02 0.64 0.00 0.39 0.00 0.00 0.00 179.25 180.31 1pyg n GLU 505 N -4.22 0.08 -0.07 0.00 -0.58 0.23 -0.29 120.64 115.79 1pyg n GLU 505 Ca 0.04 0.53 -0.09 0.00 -0.42 0.00 0.00 57.16 57.22 1pyg n GLU 505 Cb 0.30 -1.74 -0.08 0.00 -0.57 0.00 0.00 31.44 29.35 1pyg n GLU 505 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pyg n ARG 506 N -1.92 0.95 -0.07 3.49 1.74 -0.74 -4.80 116.66 115.32 1pyg n ARG 506 Ca -0.00 0.06 0.03 0.00 -0.77 0.00 0.00 57.85 57.17 1pyg n ARG 506 Cb 0.06 -1.32 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 1pyg n ARG 506 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1pyg n ILE 507 N -2.79 1.11 -4.20 0.55 -5.35 -0.14 -5.11 119.36 103.42 1pyg n ILE 507 Ca -0.25 -1.24 0.00 0.00 -0.27 0.00 0.00 62.75 60.99 1pyg n ILE 507 Cb 0.84 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 1pyg n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pyg n GLY 508 N -0.72 -1.35 0.32 3.28 0.00 0.61 -4.56 105.19 102.76 1pyg n GLY 508 Ca 0.06 -1.26 0.08 0.00 0.00 0.00 0.00 46.02 44.89 1pyg n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pyg n GLU 509 N -0.17 1.69 0.19 1.61 1.02 -1.26 -4.03 120.64 119.68 1pyg n GLU 509 Ca 0.00 -0.71 0.18 0.00 -0.02 0.00 0.00 57.16 56.60 1pyg n GLU 509 Cb 0.00 -1.28 0.81 0.00 -0.02 0.00 0.00 31.44 30.96 1pyg n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1pyg h GLU 510 N 1.58 0.00 0.00 3.49 3.07 -1.97 -2.34 114.58 118.41 1pyg h GLU 510 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1pyg h GLU 510 Cb 0.53 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1pyg h GLU 510 CO 0.00 0.00 -0.05 0.10 -1.40 0.00 0.00 179.01 177.66 1pyg h TYR 511 N 0.00 0.00 -0.14 4.33 -0.00 -1.80 -2.77 116.97 116.59 1pyg h TYR 511 Ca 0.10 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.87 1pyg h TYR 511 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.30 1pyg h TYR 511 CO 0.00 0.05 0.18 0.82 -0.00 0.00 0.00 178.16 179.21 1pyg h ILE 512 N 0.00 0.38 0.00 -0.90 2.04 -1.78 0.16 117.51 117.41 1pyg h ILE 512 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1pyg h ILE 512 Cb 0.11 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1pyg h ILE 512 CO 0.01 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.62 1pyg n SER 513 N -3.64 1.41 -3.16 1.72 3.41 -1.07 -4.72 113.62 107.57 1pyg n SER 513 Ca 0.01 -1.57 -0.23 0.00 -0.26 0.00 0.00 58.87 56.82 1pyg n SER 513 Cb 0.29 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1pyg n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pyg n ASP 514 N -0.29 -0.19 0.32 4.04 2.03 0.37 -5.00 116.55 117.84 1pyg n ASP 514 Ca 0.00 -2.73 0.21 0.00 0.52 0.00 0.00 54.79 52.79 1pyg n ASP 514 Cb 0.21 -0.38 1.08 0.00 -0.72 0.00 0.00 41.12 41.31 1pyg n ASP 514 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1pyg h LEU 515 N 4.10 0.00 -2.00 -2.67 5.85 -1.34 0.80 115.31 120.05 1pyg h LEU 515 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1pyg h LEU 515 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1pyg h LEU 515 CO 0.44 0.00 0.03 0.44 -0.34 0.00 0.00 178.44 179.01 1pyg h ASP 516 N 0.00 0.00 0.65 1.25 3.32 -1.84 0.60 116.42 120.40 1pyg h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pyg h ASP 516 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1pyg h ASP 516 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1pyg n GLN 517 N -2.57 0.02 0.33 3.56 6.02 0.27 -2.68 117.38 122.33 1pyg n GLN 517 Ca -0.02 0.20 0.21 0.00 -0.01 0.00 0.00 57.00 57.38 1pyg n GLN 517 Cb 0.08 -1.53 1.11 0.00 1.02 0.00 0.00 30.24 30.92 1pyg n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pyg h LEU 518 N 0.00 0.00 -2.44 1.08 3.38 -1.09 -1.58 115.31 114.67 1pyg h LEU 518 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pyg h LEU 518 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1pyg h LEU 518 CO 0.00 0.00 -0.02 0.03 0.09 0.00 0.00 178.44 178.54 1pyg h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -1.37 -1.19 114.38 116.03 1pyg h ARG 519 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pyg h ARG 519 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1pyg h ARG 519 CO -0.00 0.02 -0.02 0.87 -1.07 0.00 0.00 179.97 179.77 1pyg h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.55 -1.71 116.57 114.92 1pyg h LYS 520 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pyg h LYS 520 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1pyg h LYS 520 CO 0.00 0.02 0.00 -0.07 -0.57 0.00 0.00 179.45 178.84 1pyg h LEU 521 N 0.00 0.00 -2.81 2.94 3.38 -1.43 -2.25 115.31 115.14 1pyg h LEU 521 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pyg h LEU 521 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pyg h LEU 521 CO 0.00 0.00 -0.00 -0.07 0.09 0.00 0.00 178.44 178.46 1pyg h LEU 522 N 0.00 0.00 -1.54 1.67 3.38 -1.52 0.21 115.31 117.51 1pyg h LEU 522 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pyg h LEU 522 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pyg h LEU 522 CO 0.00 0.00 -0.19 0.28 0.09 0.00 0.00 178.44 178.62 1pyg h SER 523 N 0.00 0.00 -0.30 -0.43 0.02 -1.64 -2.96 113.55 108.24 1pyg h SER 523 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pyg h SER 523 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1pyg h SER 523 CO 0.00 0.19 0.00 -1.22 -1.14 0.00 0.00 176.83 174.66 1pyg n TYR 524 N -3.57 0.38 -0.30 3.45 4.02 0.72 -4.42 117.16 117.44 1pyg n TYR 524 Ca -0.01 -0.19 0.11 0.00 -0.01 0.00 0.00 57.90 57.80 1pyg n TYR 524 Cb 0.33 0.00 0.34 0.00 -0.02 0.00 0.00 39.34 39.99 1pyg n TYR 524 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1pyg h VAL 525 N 3.88 0.85 -0.70 -0.72 -1.51 -1.50 -0.85 116.25 115.70 1pyg h VAL 525 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1pyg h VAL 525 Cb 0.85 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 1pyg h VAL 525 CO 0.00 0.14 0.00 0.47 -1.23 0.00 0.00 177.57 176.95 1pyg n ASP 526 N -4.59 3.86 -4.64 4.19 8.00 -1.26 -4.82 116.55 117.30 1pyg n ASP 526 Ca 0.18 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 1pyg n ASP 526 Cb 0.45 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1pyg n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pyg s ASP 527 N -1.05 6.88 0.41 -2.24 2.15 -0.32 -4.91 116.67 117.58 1pyg s ASP 527 Ca 0.48 1.05 0.11 0.00 0.43 0.00 0.00 52.55 54.62 1pyg s ASP 527 Cb 0.25 -2.47 0.87 0.00 -0.30 0.00 0.00 42.92 41.27 1pyg s ASP 527 CO 0.33 -0.63 1.96 -0.33 -0.17 0.00 0.00 175.17 176.33 1pyg h GLU 528 N 7.77 0.18 -0.23 4.34 4.39 -1.91 -0.96 114.58 128.17 1pyg h GLU 528 Ca -0.22 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.36 1pyg h GLU 528 Cb 1.08 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1pyg h GLU 528 CO 0.93 0.31 -0.19 0.00 -1.16 0.00 0.00 179.01 178.90 1pyg h ALA 529 N 1.71 0.34 -0.38 3.43 0.00 -1.95 -0.19 119.26 122.22 1pyg h ALA 529 Ca 0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1pyg h ALA 529 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1pyg h ALA 529 CO 0.02 0.26 -0.01 0.35 0.00 0.00 0.00 179.25 179.86 1pyg h PHE 530 N 0.24 0.75 -0.99 0.00 3.57 -1.79 0.55 116.94 119.28 1pyg h PHE 530 Ca 0.04 -0.14 0.09 0.00 3.53 0.00 0.00 57.97 61.50 1pyg h PHE 530 Cb 0.72 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 1pyg h PHE 530 CO 0.07 0.78 0.63 0.82 -2.23 0.00 0.00 178.31 178.38 1pyg h ILE 531 N 0.51 1.00 -0.32 1.41 2.04 -0.98 -0.23 117.51 120.93 1pyg h ILE 531 Ca 0.11 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.44 1pyg h ILE 531 Cb 0.49 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1pyg h ILE 531 CO 0.02 0.19 -0.42 -0.09 0.00 0.00 0.00 178.15 177.86 1pyg h ARG 532 N 1.07 0.81 -0.44 2.37 1.12 -0.84 -2.87 114.38 115.59 1pyg h ARG 532 Ca 0.46 -0.44 -0.10 0.00 -1.11 0.00 0.00 59.98 58.79 1pyg h ARG 532 Cb 0.32 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 1pyg h ARG 532 CO -0.22 1.08 -0.11 -0.44 -3.11 0.00 0.00 179.97 177.17 1pyg h ASP 533 N 0.66 0.85 -0.54 -3.80 5.19 -0.04 -1.73 116.42 117.01 1pyg h ASP 533 Ca 0.05 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.08 1pyg h ASP 533 Cb 0.99 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.25 1pyg h ASP 533 CO 0.10 1.01 0.28 0.58 -3.12 0.00 0.00 179.24 178.09 1pyg h VAL 534 N 0.67 1.19 0.11 -1.35 2.07 -1.09 -1.44 116.25 116.41 1pyg h VAL 534 Ca 0.11 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1pyg h VAL 534 Cb 0.64 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1pyg h VAL 534 CO 0.04 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 177.79 1pyg h ALA 535 N 1.12 -0.14 -0.83 1.67 0.00 -1.48 -2.70 119.26 116.90 1pyg h ALA 535 Ca 0.19 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1pyg h ALA 535 Cb 0.07 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1pyg h ALA 535 CO -0.03 -0.56 0.54 -0.22 0.00 0.00 0.00 179.25 178.98 1pyg h LYS 536 N -0.18 0.96 0.16 0.00 3.64 -1.02 -1.15 116.57 118.99 1pyg h LYS 536 Ca -0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1pyg h LYS 536 Cb 0.14 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1pyg h LYS 536 CO 0.02 0.64 -0.08 0.28 -2.27 0.00 0.00 179.45 178.04 1pyg h VAL 537 N 0.99 0.88 -0.50 2.00 2.07 -1.17 -0.70 116.25 119.82 1pyg h VAL 537 Ca 0.34 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1pyg h VAL 537 Cb 0.08 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1pyg h VAL 537 CO -0.10 0.04 0.27 0.50 0.02 0.00 0.00 177.57 178.29 1pyg h LYS 538 N -0.29 0.69 -0.35 1.57 1.63 -1.11 -0.12 116.57 118.58 1pyg h LYS 538 Ca -0.02 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.65 1pyg h LYS 538 Cb 0.23 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1pyg h LYS 538 CO 0.04 0.51 -0.03 0.37 -3.45 0.00 0.00 179.45 176.88 1pyg h GLN 539 N 0.70 0.65 -0.62 1.90 5.75 -0.82 0.58 115.11 123.24 1pyg h GLN 539 Ca 0.18 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1pyg h GLN 539 Cb 0.03 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1pyg h GLN 539 CO -0.03 0.78 0.17 0.93 -2.65 0.00 0.00 178.83 178.03 1pyg h GLU 540 N 0.45 0.96 -0.02 1.69 5.08 -0.33 0.04 114.58 122.44 1pyg h GLU 540 Ca 0.10 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1pyg h GLU 540 Cb 0.51 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1pyg h GLU 540 CO 0.02 0.84 -0.28 -0.91 -1.00 0.00 0.00 179.01 177.68 1pyg h ASN 541 N 0.92 0.03 0.50 1.42 -0.26 -0.84 -1.82 115.58 115.53 1pyg h ASN 541 Ca 0.20 -0.01 -0.22 0.00 -0.56 0.00 0.00 56.30 55.72 1pyg h ASN 541 Cb 0.30 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1pyg h ASN 541 CO -0.00 0.31 -0.94 0.11 -1.06 0.00 0.00 177.43 175.85 1pyg h LYS 542 N 0.03 0.28 -0.01 0.81 1.57 0.46 -2.94 116.57 116.78 1pyg h LYS 542 Ca 0.00 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1pyg h LYS 542 Cb 0.51 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1pyg h LYS 542 CO 0.04 1.04 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.88 1pyg h LEU 543 N 0.15 0.02 -0.66 2.94 4.07 -0.86 -2.38 115.31 118.59 1pyg h LEU 543 Ca -0.07 -0.36 0.12 0.00 0.08 0.00 0.00 57.88 57.66 1pyg h LEU 543 Cb 1.58 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 43.23 1pyg h LEU 543 CO 0.15 0.38 0.19 0.50 -1.08 0.00 0.00 178.44 178.58 1pyg h LYS 544 N -0.34 0.32 -0.15 1.13 3.64 -1.36 -1.43 116.57 118.38 1pyg h LYS 544 Ca 0.00 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1pyg h LYS 544 Cb 0.37 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1pyg h LYS 544 CO 0.00 0.21 -0.59 0.35 -2.27 0.00 0.00 179.45 177.16 1pyg h PHE 545 N 0.33 0.63 0.12 1.91 3.57 -1.55 -2.43 116.94 119.52 1pyg h PHE 545 Ca 0.35 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1pyg h PHE 545 Cb 0.52 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1pyg h PHE 545 CO -0.22 0.96 -0.20 0.00 -2.23 0.00 0.00 178.31 176.62 1pyg h ALA 546 N 0.99 -0.35 -0.91 2.41 0.00 -0.72 0.04 119.26 120.72 1pyg h ALA 546 Ca -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1pyg h ALA 546 Cb 1.13 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1pyg h ALA 546 CO 0.11 -0.73 0.59 0.00 0.00 0.00 0.00 179.25 179.21 1pyg h ALA 547 N 0.41 1.60 0.70 0.00 0.00 -1.29 0.24 119.26 120.92 1pyg h ALA 547 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1pyg h ALA 547 Cb 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pyg h ALA 547 CO -0.10 0.22 -0.44 -0.92 0.00 0.00 0.00 179.25 178.01 1pyg h TYR 548 N 0.93 -1.16 -0.97 0.00 3.20 -1.26 -2.27 116.97 115.43 1pyg h TYR 548 Ca 0.42 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.50 1pyg h TYR 548 Cb 0.38 0.42 -0.08 0.00 1.54 0.00 0.00 36.73 38.98 1pyg h TYR 548 CO -0.00 -0.66 0.62 -0.07 -1.64 0.00 0.00 178.16 176.42 1pyg h LEU 549 N -1.07 0.51 0.72 2.82 3.38 0.14 -0.01 115.31 121.80 1pyg h LEU 549 Ca -0.09 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1pyg h LEU 549 Cb 0.87 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.60 1pyg h LEU 549 CO 0.09 0.17 -0.34 -0.08 0.09 0.00 0.00 178.44 178.37 1pyg h GLU 550 N 0.49 -0.93 0.00 1.13 4.22 -0.88 0.56 114.58 119.18 1pyg h GLU 550 Ca 0.53 0.06 0.00 0.00 0.08 0.00 0.00 59.36 60.04 1pyg h GLU 550 Cb 1.20 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1pyg h GLU 550 CO -0.26 -0.59 0.00 2.89 -2.18 0.00 0.00 179.01 178.87 1pyg n ARG 551 N -5.44 0.51 0.00 1.92 1.85 -0.58 -1.05 116.66 113.87 1pyg n ARG 551 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1pyg n ARG 551 Cb 0.39 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 1pyg n ARG 551 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1pyg n GLU 552 N -0.81 -0.36 0.00 2.89 -0.58 -0.12 -4.92 120.64 116.74 1pyg n GLU 552 Ca 0.08 -0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1pyg n GLU 552 Cb 0.04 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1pyg n GLU 552 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1pyg n TYR 553 N -0.00 0.00 -4.00 -0.32 4.02 0.19 -4.99 117.16 112.06 1pyg n TYR 553 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 1pyg n TYR 553 Cb 0.16 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 1pyg n TYR 553 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1pyg n LYS 554 N 0.00 -3.62 -4.03 -0.72 5.02 -0.22 -5.00 118.16 109.59 1pyg n LYS 554 Ca 0.00 0.43 -0.11 0.00 -2.02 0.00 0.00 58.31 56.61 1pyg n LYS 554 Cb 0.00 -4.82 -0.11 0.00 -0.02 0.00 0.00 35.03 30.08 1pyg n LYS 554 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pyg s VAL 555 N -3.70 0.34 -0.23 -0.18 1.01 -1.26 -5.08 120.40 111.29 1pyg s VAL 555 Ca 0.26 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1pyg s VAL 555 Cb -0.14 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1pyg s VAL 555 CO 0.89 -0.50 0.03 -2.28 0.00 0.00 0.00 175.10 173.24 1pyg s HIS 556 N -1.69 3.06 0.27 5.22 2.46 -1.26 -4.35 115.29 119.00 1pyg s HIS 556 Ca -0.10 -0.51 -0.08 0.00 0.47 0.00 0.00 55.06 54.83 1pyg s HIS 556 Cb -0.08 -2.17 -0.06 0.00 -0.13 0.00 0.00 32.58 30.13 1pyg s HIS 556 CO -0.01 -0.35 0.58 0.96 -2.47 0.00 0.00 174.74 173.45 1pyg s ILE 557 N 1.41 4.94 -0.39 0.89 -4.36 -1.26 -5.02 121.20 117.41 1pyg s ILE 557 Ca 0.05 0.36 -0.17 0.00 -0.26 0.00 0.00 60.65 60.63 1pyg s ILE 557 Cb -0.15 -3.67 0.01 0.00 1.25 0.00 0.00 42.46 39.90 1pyg s ILE 557 CO 0.02 -0.21 0.46 0.21 0.24 0.00 0.00 174.94 175.66 1pyg s ASN 558 N -2.72 6.23 0.00 4.36 2.47 -1.26 -4.96 114.94 119.06 1pyg s ASN 558 Ca 0.47 -0.39 0.00 0.00 0.42 0.00 0.00 52.86 53.35 1pyg s ASN 558 Cb -0.11 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 1pyg s ASN 558 CO 0.25 -0.53 0.49 -0.81 -3.72 0.00 0.00 177.10 172.78 1pyg n PRO 559 N 5.66 0.83 -0.00 0.43 -0.04 -1.26 -1.43 135.00 139.19 1pyg n PRO 559 Ca -0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1pyg n PRO 559 Cb 0.48 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 1pyg n PRO 559 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pyg n ASN 560 N -0.02 2.26 -4.77 3.54 5.03 -1.26 -4.77 115.26 115.28 1pyg n ASN 560 Ca 0.00 -0.24 -0.39 0.00 0.87 0.00 0.00 54.58 54.81 1pyg n ASN 560 Cb 0.17 1.20 0.00 0.00 -1.02 0.00 0.00 39.78 40.14 1pyg n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1pyg s SER 561 N -2.38 6.13 0.09 6.41 1.04 -0.51 -4.89 113.70 119.59 1pyg s SER 561 Ca -0.01 2.72 -0.31 0.00 0.48 0.00 0.00 55.95 58.84 1pyg s SER 561 Cb 0.05 -2.64 -0.08 0.00 0.10 0.00 0.00 66.02 63.45 1pyg s SER 561 CO 0.29 -0.98 1.51 -1.48 0.98 0.00 0.00 173.24 173.56 1pyg s LEU 562 N -2.59 4.36 -0.44 2.42 0.05 0.13 -4.67 118.68 117.94 1pyg s LEU 562 Ca 0.59 2.40 -0.29 0.00 0.05 0.00 0.00 54.13 56.88 1pyg s LEU 562 Cb -0.39 -3.58 0.02 0.00 -2.05 0.00 0.00 46.19 40.19 1pyg s LEU 562 CO 0.50 -0.78 1.17 -0.36 -0.55 0.00 0.00 176.35 176.34 1pyg s PHE 563 N 1.85 2.80 -0.24 3.48 0.40 -1.26 -2.52 117.98 122.49 1pyg s PHE 563 Ca 0.68 0.79 -0.17 0.00 -0.60 0.00 0.00 56.93 57.64 1pyg s PHE 563 Cb -0.38 -4.28 -0.03 0.00 0.51 0.00 0.00 43.02 38.83 1pyg s PHE 563 CO 0.30 -1.31 0.45 0.34 0.70 0.00 0.00 175.22 175.70 1pyg s ASP 564 N 2.55 6.40 -0.06 1.36 -1.08 0.05 -1.52 116.67 124.38 1pyg s ASP 564 Ca 0.50 0.48 0.03 0.00 -0.52 0.00 0.00 52.55 53.03 1pyg s ASP 564 Cb -0.09 -2.25 0.01 0.00 -1.46 0.00 0.00 42.92 39.12 1pyg s ASP 564 CO 0.29 -0.20 -0.13 -0.69 0.52 0.00 0.00 175.17 174.95 1pyg s VAL 565 N 1.96 1.20 -0.26 1.11 1.01 0.14 -0.78 120.40 124.77 1pyg s VAL 565 Ca 0.19 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1pyg s VAL 565 Cb -0.15 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.23 1pyg s VAL 565 CO 0.09 0.36 0.03 -1.58 0.00 0.00 0.00 175.10 174.01 1pyg s GLN 566 N 0.43 1.05 -0.26 2.72 0.74 -0.39 -1.74 119.66 122.20 1pyg s GLN 566 Ca -0.11 -0.96 0.00 0.00 0.05 0.00 0.00 55.36 54.35 1pyg s GLN 566 Cb -0.14 -2.31 0.07 0.00 1.10 0.00 0.00 33.01 31.73 1pyg s GLN 566 CO 0.03 -0.78 0.01 0.14 -0.55 0.00 0.00 175.29 174.14 1pyg s VAL 567 N 1.54 1.35 0.25 1.34 -7.23 -1.26 -1.46 120.40 114.94 1pyg s VAL 567 Ca 0.02 -1.33 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 1pyg s VAL 567 Cb -0.18 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 1pyg s VAL 567 CO -0.14 -0.32 0.47 -0.54 -0.31 0.00 0.00 175.10 174.27 1pyg s LYS 568 N 1.44 1.58 0.23 4.82 -0.14 -0.83 -4.97 119.74 121.87 1pyg s LYS 568 Ca 0.01 -1.30 -0.32 0.00 -1.36 0.00 0.00 55.97 53.00 1pyg s LYS 568 Cb -0.18 0.47 -0.13 0.00 -1.68 0.00 0.00 37.83 36.31 1pyg s LYS 568 CO -0.11 -0.65 1.58 0.54 -0.76 0.00 0.00 175.35 175.95 1pyg n ARG 569 N -0.39 2.44 -2.16 1.68 1.74 -1.26 -3.76 116.66 114.94 1pyg n ARG 569 Ca -0.01 0.87 -0.35 0.00 -0.77 0.00 0.00 57.85 57.59 1pyg n ARG 569 Cb 0.62 -2.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.38 1pyg n ARG 569 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pyg s ILE 570 N 0.49 3.50 0.06 0.55 -1.09 -0.72 -4.86 121.20 119.13 1pyg s ILE 570 Ca 0.71 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 59.04 1pyg s ILE 570 Cb -0.58 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.07 1pyg s ILE 570 CO 0.42 -1.15 -0.06 -2.28 -1.23 0.00 0.00 174.94 170.64 1pyg s HIS 571 N 8.61 0.64 0.14 3.97 2.46 -1.26 -4.68 115.29 125.17 1pyg s HIS 571 Ca 0.62 -0.74 -0.18 0.00 0.47 0.00 0.00 55.06 55.24 1pyg s HIS 571 Cb -0.08 -0.40 -0.02 0.00 -0.13 0.00 0.00 32.58 31.95 1pyg s HIS 571 CO 0.08 -0.18 1.79 0.93 -2.47 0.00 0.00 174.74 174.90 1pyg h GLU 572 N 3.80 0.38 0.00 2.88 5.08 -1.96 -2.72 114.58 122.03 1pyg h GLU 572 Ca -0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1pyg h GLU 572 Cb 1.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1pyg h GLU 572 CO 0.53 0.25 0.12 0.10 -1.00 0.00 0.00 179.01 179.01 1pyg h TYR 573 N 0.39 0.00 0.00 4.33 -0.00 -1.97 -1.73 116.97 117.99 1pyg h TYR 573 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.85 1pyg h TYR 573 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.71 1pyg h TYR 573 CO -0.07 0.00 -0.20 0.87 -0.00 0.00 0.00 178.16 178.76 1pyg h LYS 574 N 0.00 0.00 -6.09 0.10 1.79 -1.81 -2.71 116.57 107.85 1pyg h LYS 574 Ca 0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 1pyg h LYS 574 Cb 0.24 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.93 1pyg h LYS 574 CO 0.00 0.00 -0.76 0.54 -1.08 0.00 0.00 179.45 178.15 1pyg n ARG 575 N -2.67 -6.06 0.25 3.15 1.74 -0.65 -4.03 116.66 108.39 1pyg n ARG 575 Ca 0.04 0.68 0.18 0.00 -0.77 0.00 0.00 57.85 57.98 1pyg n ARG 575 Cb 0.49 -5.54 0.91 0.00 -1.02 0.00 0.00 32.46 27.29 1pyg n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1pyg h GLN 576 N -2.17 0.00 -0.06 5.56 7.50 -1.85 -0.43 115.11 123.66 1pyg h GLN 576 Ca -0.59 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 58.44 1pyg h GLN 576 Cb 1.37 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.88 1pyg h GLN 576 CO 0.61 0.00 -0.54 1.25 -1.50 0.00 0.00 178.83 178.65 1pyg h LEU 577 N 0.00 0.18 -0.83 1.46 5.85 -1.91 0.17 115.31 120.22 1pyg h LEU 577 Ca 0.05 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 1pyg h LEU 577 Cb 0.38 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1pyg h LEU 577 CO -0.00 0.68 -0.33 0.25 -0.34 0.00 0.00 178.44 178.70 1pyg h LEU 578 N 0.13 0.49 -0.39 2.25 6.46 -1.45 -1.29 115.31 121.51 1pyg h LEU 578 Ca 0.00 -0.19 -0.14 0.00 -0.12 0.00 0.00 57.88 57.43 1pyg h LEU 578 Cb 0.99 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1pyg h LEU 578 CO 0.08 0.79 -0.31 -1.13 -0.62 0.00 0.00 178.44 177.25 1pyg h ASN 579 N 0.41 0.94 -0.31 1.25 -0.00 -1.30 -2.03 115.58 114.53 1pyg h ASN 579 Ca 0.05 -0.45 0.01 0.00 -0.00 0.00 0.00 56.30 55.91 1pyg h ASN 579 Cb 0.78 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.82 1pyg h ASN 579 CO 0.06 1.19 0.20 0.00 -0.00 0.00 0.00 177.43 178.88 1pyg h LEU 581 N 0.40 0.88 -0.51 0.00 4.07 -1.21 -0.12 115.31 118.84 1pyg h LEU 581 Ca 0.12 0.04 -0.17 0.00 0.08 0.00 0.00 57.88 57.95 1pyg h LEU 581 Cb -0.03 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1pyg h LEU 581 CO -0.04 0.49 -0.63 -0.74 -1.08 0.00 0.00 178.44 176.45 1pyg h HIS 582 N 0.97 0.56 0.03 1.13 2.76 -0.80 -1.72 115.15 118.09 1pyg h HIS 582 Ca 0.46 -0.22 -0.22 0.00 -2.20 0.00 0.00 60.37 58.19 1pyg h HIS 582 Cb 0.40 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1pyg h HIS 582 CO -0.02 0.94 -0.99 -0.39 -1.30 0.00 0.00 177.93 176.18 1pyg h VAL 583 N 0.32 1.57 -0.83 5.26 -1.51 -0.36 -0.94 116.25 119.76 1pyg h VAL 583 Ca -0.01 -2.97 -0.03 0.00 -1.23 0.00 0.00 66.70 62.47 1pyg h VAL 583 Cb 1.17 2.69 -0.04 0.00 -2.13 0.00 0.00 31.29 32.98 1pyg h VAL 583 CO 0.11 0.86 0.42 0.40 -1.23 0.00 0.00 177.57 178.12 1pyg h ILE 584 N 0.06 1.25 -0.34 7.19 2.04 -1.07 -0.05 117.51 126.59 1pyg h ILE 584 Ca -0.05 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1pyg h ILE 584 Cb 1.68 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1pyg h ILE 584 CO 0.15 0.30 0.15 0.74 0.00 0.00 0.00 178.15 179.49 1pyg h THR 585 N 1.17 0.96 -0.33 -0.27 2.02 -0.80 0.21 112.91 115.86 1pyg h THR 585 Ca 0.29 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.40 1pyg h THR 585 Cb 0.09 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1pyg h THR 585 CO -0.04 0.06 0.07 -0.07 0.37 0.00 0.00 175.52 175.91 1pyg h LEU 586 N 0.32 0.02 -0.07 2.58 4.07 -0.62 -0.72 115.31 120.90 1pyg h LEU 586 Ca 0.15 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.20 1pyg h LEU 586 Cb 0.08 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 1pyg h LEU 586 CO -0.12 0.05 -0.22 0.22 -1.08 0.00 0.00 178.44 177.29 1pyg h TYR 587 N 0.19 -0.59 0.17 1.13 3.20 -0.54 -0.24 116.97 120.28 1pyg h TYR 587 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1pyg h TYR 587 Cb 0.16 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1pyg h TYR 587 CO -0.18 -0.31 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.05 1pyg h ASN 588 N -0.31 -0.19 -0.74 -2.11 -0.26 -0.79 -0.25 115.58 110.92 1pyg h ASN 588 Ca 0.08 -0.07 0.17 0.00 -0.56 0.00 0.00 56.30 55.92 1pyg h ASN 588 Cb 0.43 0.05 -0.12 0.00 -1.06 0.00 0.00 38.32 37.62 1pyg h ASN 588 CO -0.25 -0.05 0.13 0.03 -1.06 0.00 0.00 177.43 176.23 1pyg h ARG 589 N -0.32 0.20 -0.54 0.81 3.08 -0.86 0.97 114.38 117.72 1pyg h ARG 589 Ca -0.02 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1pyg h ARG 589 Cb 0.25 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1pyg h ARG 589 CO 0.04 0.13 0.14 0.82 -1.07 0.00 0.00 179.97 180.03 1pyg h ILE 590 N 0.21 1.22 0.26 2.04 2.04 -0.62 -2.54 117.51 120.12 1pyg h ILE 590 Ca 0.42 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1pyg h ILE 590 Cb 0.74 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1pyg h ILE 590 CO -0.56 0.30 -0.13 0.11 0.00 0.00 0.00 178.15 177.87 1pyg h LYS 591 N 0.80 -0.34 -0.93 2.37 1.79 0.92 -2.56 116.57 118.62 1pyg h LYS 591 Ca 0.18 0.02 0.18 0.00 -2.18 0.00 0.00 60.65 58.85 1pyg h LYS 591 Cb 0.28 0.08 -0.18 0.00 -1.58 0.00 0.00 32.23 30.83 1pyg h LYS 591 CO -0.00 -0.22 -0.25 0.87 -1.08 0.00 0.00 179.45 178.76 1pyg h LYS 592 N -0.41 -0.00 -3.06 3.15 6.56 -0.89 -2.57 116.57 119.35 1pyg h LYS 592 Ca -0.04 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.93 1pyg h LYS 592 Cb 0.27 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 31.51 1pyg h LYS 592 CO 0.06 -0.00 -0.60 -1.21 -2.06 0.00 0.00 179.45 175.63 1pyg s GLU 593 N -6.22 2.31 0.00 3.15 2.02 -0.97 -4.98 118.70 114.01 1pyg s GLU 593 Ca -0.15 -3.20 0.00 0.00 0.02 0.00 0.00 54.97 51.64 1pyg s GLU 593 Cb 0.25 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1pyg s GLU 593 CO 0.77 -1.28 0.66 -0.35 0.02 0.00 0.00 175.26 175.08 1pyg n PRO 594 N 2.13 0.61 0.00 0.39 -0.04 -0.96 -2.19 135.00 134.94 1pyg n PRO 594 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1pyg n PRO 594 Cb 0.36 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1pyg n PRO 594 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pyg n ASN 595 N 0.78 0.00 -4.81 3.54 3.02 -1.26 -5.04 115.26 111.49 1pyg n ASN 595 Ca 0.00 -0.34 -0.33 0.00 -0.03 0.00 0.00 54.58 53.88 1pyg n ASN 595 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1pyg n ASN 595 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1pyg s LYS 596 N 0.00 3.44 0.37 3.52 2.20 -0.93 -4.98 119.74 123.35 1pyg s LYS 596 Ca 0.00 1.21 -0.27 0.00 -0.36 0.00 0.00 55.97 56.54 1pyg s LYS 596 Cb 0.00 -2.05 -0.10 0.00 -1.51 0.00 0.00 37.83 34.17 1pyg s LYS 596 CO 0.00 -0.71 1.33 0.12 -0.36 0.00 0.00 175.35 175.73 1pyg s PHE 597 N -2.40 2.88 -0.00 4.03 5.36 -1.26 -5.02 117.98 121.57 1pyg s PHE 597 Ca 0.64 1.38 0.01 0.00 -0.96 0.00 0.00 56.93 57.99 1pyg s PHE 597 Cb -0.16 -3.73 -0.00 0.00 -0.34 0.00 0.00 43.02 38.80 1pyg s PHE 597 CO 0.34 -2.12 -0.03 0.14 -1.46 0.00 0.00 175.22 172.09 1pyg s VAL 598 N -1.19 0.23 -0.35 3.12 -7.23 -1.26 -5.10 120.40 108.62 1pyg s VAL 598 Ca 0.53 -0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 60.28 1pyg s VAL 598 Cb -0.40 -0.20 -0.01 0.00 0.56 0.00 0.00 36.38 36.33 1pyg s VAL 598 CO 0.53 0.06 1.62 -0.69 -0.31 0.00 0.00 175.10 176.31 1pyg s VAL 599 N -0.08 3.68 0.32 1.32 1.01 -1.26 -4.99 120.40 120.39 1pyg s VAL 599 Ca 0.01 0.70 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 1pyg s VAL 599 Cb -0.01 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 1pyg s VAL 599 CO -0.00 -0.53 1.28 -2.65 0.00 0.00 0.00 175.10 173.20 1pyg n PRO 600 N 8.18 2.04 -3.99 2.72 -0.02 -1.26 -4.85 135.00 137.82 1pyg n PRO 600 Ca 0.20 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.27 1pyg n PRO 600 Cb 0.47 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 1pyg n PRO 600 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pyg s ARG 601 N -1.63 0.25 -0.26 -0.52 0.52 -0.57 -0.70 118.95 116.04 1pyg s ARG 601 Ca 0.58 -0.32 -0.04 0.00 -0.52 0.00 0.00 55.73 55.43 1pyg s ARG 601 Cb -0.59 -0.10 0.01 0.00 0.52 0.00 0.00 34.95 34.79 1pyg s ARG 601 CO 0.60 0.02 -0.01 0.99 0.02 0.00 0.00 175.30 176.92 1pyg s THR 602 N -0.63 3.35 -0.31 0.02 2.01 -1.05 -2.65 115.64 116.39 1pyg s THR 602 Ca -0.05 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1pyg s THR 602 Cb -0.05 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1pyg s THR 602 CO -0.00 0.20 0.49 -0.69 -0.69 0.00 0.00 174.62 173.93 1pyg s VAL 603 N 1.42 5.06 -0.13 3.82 1.01 -0.21 -0.77 120.40 130.60 1pyg s VAL 603 Ca 0.02 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1pyg s VAL 603 Cb -0.16 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1pyg s VAL 603 CO -0.02 -0.05 -0.17 -0.04 0.00 0.00 0.00 175.10 174.83 1pyg s MET 604 N 2.31 3.24 -0.04 2.72 -1.94 0.04 -0.89 119.30 124.75 1pyg s MET 604 Ca 0.19 -0.76 0.06 0.00 -1.71 0.00 0.00 55.69 53.47 1pyg s MET 604 Cb -0.16 -2.55 -0.01 0.00 2.01 0.00 0.00 34.83 34.12 1pyg s MET 604 CO 0.11 0.13 -0.21 0.42 -0.01 0.00 0.00 175.02 175.46 1pyg s ILE 605 N 0.53 1.73 0.01 2.53 1.01 -0.53 -1.27 121.20 125.23 1pyg s ILE 605 Ca -0.11 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.48 1pyg s ILE 605 Cb -0.16 -1.46 0.03 0.00 0.01 0.00 0.00 42.46 40.88 1pyg s ILE 605 CO 0.04 0.49 0.36 -0.83 0.00 0.00 0.00 174.94 175.00 1pyg s GLY 606 N -0.23 -0.20 0.00 6.18 0.00 -0.53 -1.05 107.32 111.48 1pyg s GLY 606 Ca 0.01 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1pyg s GLY 606 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.79 1pyg n GLY 607 N 0.85 1.61 3.91 0.20 0.00 -1.25 -1.97 105.19 108.54 1pyg n GLY 607 Ca -0.20 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1pyg n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyg s LYS 608 N -2.00 3.50 -0.19 1.61 1.02 -1.26 -4.68 119.74 117.74 1pyg s LYS 608 Ca 0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.62 1pyg s LYS 608 Cb 0.00 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1pyg s LYS 608 CO 0.00 0.57 0.04 0.00 -0.92 0.00 0.00 175.35 175.04 1pyg s ALA 609 N -1.54 3.23 0.09 5.17 0.00 -1.26 -1.75 121.76 125.70 1pyg s ALA 609 Ca 0.36 -0.87 -0.33 0.00 0.00 0.00 0.00 51.96 51.13 1pyg s ALA 609 Cb -0.13 -1.87 -0.12 0.00 0.00 0.00 0.00 23.12 21.00 1pyg s ALA 609 CO 0.26 0.01 1.74 0.00 0.00 0.00 0.00 175.76 177.77 1pyg n ALA 610 N 3.90 1.54 -1.68 0.00 0.00 -1.26 -4.92 120.51 118.09 1pyg n ALA 610 Ca -0.17 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 1pyg n ALA 610 Cb 0.52 -2.47 0.02 0.00 0.00 0.00 0.00 19.45 17.53 1pyg n ALA 610 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pyg n PRO 611 N 4.90 1.69 0.00 0.00 -0.04 -1.26 -1.84 135.00 138.46 1pyg n PRO 611 Ca 0.19 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1pyg n PRO 611 Cb 0.32 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1pyg n PRO 611 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pyg n GLY 612 N 0.91 2.70 3.58 0.55 0.00 -1.26 -4.97 105.19 106.70 1pyg n GLY 612 Ca 0.08 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1pyg n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pyg s TYR 613 N -1.48 2.19 0.06 1.61 5.04 -0.76 -4.90 117.35 119.11 1pyg s TYR 613 Ca 0.00 0.57 -0.20 0.00 -2.44 0.00 0.00 57.07 55.00 1pyg s TYR 613 Cb 0.00 -4.31 -0.12 0.00 0.35 0.00 0.00 41.96 37.88 1pyg s TYR 613 CO 0.00 -2.12 1.43 1.25 -1.34 0.00 0.00 175.55 174.77 1pyg h HIS 614 N 11.58 0.40 -0.68 4.97 -0.00 -1.93 -2.87 115.15 126.62 1pyg h HIS 614 Ca -0.28 -0.09 -0.06 0.00 -0.00 0.00 0.00 60.37 59.94 1pyg h HIS 614 Cb 1.11 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.40 1pyg h HIS 614 CO 1.01 0.64 0.17 1.98 -0.00 0.00 0.00 177.93 181.73 1pyg h MET 615 N 0.05 1.08 -0.87 5.26 -1.53 -1.98 -1.41 114.93 115.53 1pyg h MET 615 Ca 0.04 -0.25 0.09 0.00 -3.44 0.00 0.00 59.70 56.14 1pyg h MET 615 Cb 0.52 -0.15 -0.07 0.00 -0.55 0.00 0.00 31.60 31.35 1pyg h MET 615 CO 0.02 0.95 0.53 0.00 0.14 0.00 0.00 176.91 178.54 1pyg h ALA 616 N 1.15 1.24 -0.04 0.39 0.00 -1.84 -0.79 119.26 119.38 1pyg h ALA 616 Ca 0.22 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1pyg h ALA 616 Cb 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pyg h ALA 616 CO 0.00 0.19 -0.59 0.87 0.00 0.00 0.00 179.25 179.72 1pyg h LYS 617 N 0.90 0.12 -0.12 0.00 1.57 -1.16 -2.76 116.57 115.12 1pyg h LYS 617 Ca 0.41 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.94 1pyg h LYS 617 Cb 0.31 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1pyg h LYS 617 CO -0.22 0.68 -0.64 0.52 -0.57 0.00 0.00 179.45 179.22 1pyg h MET 618 N 0.09 0.43 -0.39 3.15 2.86 -0.57 -2.46 114.93 118.03 1pyg h MET 618 Ca -0.01 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1pyg h MET 618 Cb 1.07 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 1pyg h MET 618 CO 0.08 0.92 0.21 0.82 1.06 0.00 0.00 176.91 180.01 1pyg h ILE 619 N 0.31 1.15 -0.36 -1.22 2.04 -0.92 0.03 117.51 118.54 1pyg h ILE 619 Ca -0.01 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1pyg h ILE 619 Cb 1.18 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1pyg h ILE 619 CO 0.11 0.16 0.16 0.40 0.00 0.00 0.00 178.15 178.98 1pyg h ILE 620 N 0.50 0.95 -0.92 -0.67 2.04 -1.42 0.56 117.51 118.56 1pyg h ILE 620 Ca 0.14 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1pyg h ILE 620 Cb 0.07 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1pyg h ILE 620 CO -0.02 0.06 0.60 0.50 0.00 0.00 0.00 178.15 179.28 1pyg h LYS 621 N 0.33 1.10 -0.41 2.37 1.63 -1.04 -0.33 116.57 120.21 1pyg h LYS 621 Ca 0.16 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 1pyg h LYS 621 Cb 0.09 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 1pyg h LYS 621 CO -0.13 0.72 0.10 1.25 -3.45 0.00 0.00 179.45 177.94 1pyg h LEU 622 N 1.13 0.62 -0.72 5.20 5.85 0.14 0.45 115.31 127.98 1pyg h LEU 622 Ca 0.38 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1pyg h LEU 622 Cb 0.06 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1pyg h LEU 622 CO -0.14 0.69 0.36 0.40 -0.34 0.00 0.00 178.44 179.41 1pyg h ILE 623 N 0.52 1.23 0.00 4.05 2.04 -0.43 0.62 117.51 125.53 1pyg h ILE 623 Ca 0.13 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1pyg h ILE 623 Cb 0.31 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1pyg h ILE 623 CO 0.00 0.27 -0.31 0.71 0.00 0.00 0.00 178.15 178.82 1pyg h THR 624 N 1.00 0.64 -0.16 -0.27 1.35 -0.87 -3.02 112.91 111.57 1pyg h THR 624 Ca 0.25 -1.51 -0.22 0.00 -0.55 0.00 0.00 66.41 64.38 1pyg h THR 624 Cb 0.09 2.02 0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1pyg h THR 624 CO -0.03 0.31 -0.75 0.00 -0.25 0.00 0.00 175.52 174.79 1pyg h ALA 625 N 1.69 0.36 0.00 6.62 0.00 0.33 -2.42 119.26 125.84 1pyg h ALA 625 Ca -0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1pyg h ALA 625 Cb 1.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1pyg h ALA 625 CO 0.04 0.69 -0.26 0.82 0.00 0.00 0.00 179.25 180.54 1pyg h ILE 626 N 0.53 1.18 0.13 0.00 2.04 -0.91 -2.42 117.51 118.05 1pyg h ILE 626 Ca -0.04 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1pyg h ILE 626 Cb 1.37 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1pyg h ILE 626 CO 0.15 0.25 -0.06 1.23 0.00 0.00 0.00 178.15 179.72 1pyg h GLY 627 N 0.79 -0.19 0.32 5.37 0.00 -1.33 0.39 103.07 108.42 1pyg h GLY 627 Ca -0.00 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1pyg h GLY 627 CO 0.03 -0.07 -0.35 -0.55 0.00 0.00 0.00 176.54 175.60 1pyg h ASP 628 N -0.26 -1.04 0.58 0.19 3.32 -0.97 0.17 116.42 118.40 1pyg h ASP 628 Ca -0.02 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1pyg h ASP 628 Cb 0.21 0.40 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1pyg h ASP 628 CO 0.03 -0.42 -0.36 0.58 -1.72 0.00 0.00 179.24 177.35 1pyg h VAL 629 N -0.55 0.00 0.53 -1.35 2.07 -1.46 -3.12 116.25 112.37 1pyg h VAL 629 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1pyg h VAL 629 Cb 0.60 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1pyg h VAL 629 CO -0.24 0.00 -0.36 0.58 0.02 0.00 0.00 177.57 177.56 1pyg h VAL 630 N -0.88 0.26 0.00 2.57 2.07 -0.91 -2.73 116.25 116.63 1pyg h VAL 630 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1pyg h VAL 630 Cb 0.71 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1pyg h VAL 630 CO 0.08 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.26 1pyg n ASN 631 N -5.49 0.00 -0.00 0.57 3.02 0.04 -2.19 115.26 111.22 1pyg n ASN 631 Ca -0.12 0.41 0.05 0.00 -0.03 0.00 0.00 54.58 54.89 1pyg n ASN 631 Cb 0.38 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 1pyg n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1pyg n HIS 632 N -1.45 0.00 -2.18 3.10 8.25 -1.05 -5.00 115.22 116.89 1pyg n HIS 632 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 1pyg n HIS 632 Cb 0.10 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 1pyg n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1pyg s ASP 633 N -2.05 6.26 0.45 0.41 2.15 -0.93 -4.88 116.67 118.08 1pyg s ASP 633 Ca 0.03 1.25 0.18 0.00 0.43 0.00 0.00 52.55 54.44 1pyg s ASP 633 Cb 0.07 -2.53 1.13 0.00 -0.30 0.00 0.00 42.92 41.29 1pyg s ASP 633 CO 0.39 -1.42 1.92 1.55 -0.17 0.00 0.00 175.17 177.44 1pyg h PRO 634 N 11.18 0.32 -0.58 4.34 0.13 -1.93 -0.20 132.00 145.27 1pyg h PRO 634 Ca -0.31 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 1pyg h PRO 634 Cb 1.14 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1pyg h PRO 634 CO 1.04 0.21 0.11 -0.39 -0.23 0.00 0.00 178.00 178.74 1pyg h VAL 635 N 0.33 1.24 -0.11 1.56 -1.51 -1.97 -3.15 116.25 112.64 1pyg h VAL 635 Ca 0.37 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 64.91 1pyg h VAL 635 Cb 0.97 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1pyg h VAL 635 CO -0.10 0.34 0.00 0.58 -1.23 0.00 0.00 177.57 177.16 1pyg h VAL 636 N 0.87 1.25 0.00 7.19 2.07 -1.37 -3.49 116.25 122.77 1pyg h VAL 636 Ca 0.18 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1pyg h VAL 636 Cb 0.36 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1pyg h VAL 636 CO 0.01 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1pyg n GLY 637 N -0.29 2.38 2.61 2.17 0.00 -1.19 -2.31 105.19 108.56 1pyg n GLY 637 Ca -0.06 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1pyg n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pyg n ASP 638 N 2.28 7.50 -0.00 1.61 5.68 -1.26 -4.18 116.55 128.18 1pyg n ASP 638 Ca 0.00 -3.74 -0.21 0.00 -0.50 0.00 0.00 54.79 50.34 1pyg n ASP 638 Cb 0.00 -1.04 -0.14 0.00 -1.14 0.00 0.00 41.12 38.80 1pyg n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1pyg h ARG 639 N 2.53 0.21 -4.90 0.11 -0.00 -1.81 -3.44 114.38 107.09 1pyg h ARG 639 Ca 0.56 -0.36 -0.30 0.00 -0.50 0.00 0.00 59.98 59.38 1pyg h ARG 639 Cb 0.42 0.13 -0.18 0.00 0.00 0.00 0.00 29.97 30.35 1pyg h ARG 639 CO 1.44 1.17 -0.73 -1.17 0.00 0.00 0.00 179.97 180.68 1pyg s LEU 640 N -7.68 2.41 -0.29 3.04 2.96 -1.26 -1.50 118.68 116.36 1pyg s LEU 640 Ca -0.20 -0.83 -0.16 0.00 -0.22 0.00 0.00 54.13 52.73 1pyg s LEU 640 Cb 0.03 -0.27 0.12 0.00 0.50 0.00 0.00 46.19 46.58 1pyg s LEU 640 CO 0.75 -0.29 0.86 -0.60 -1.32 0.00 0.00 176.35 175.75 1pyg s ARG 641 N -2.88 0.50 -0.12 1.98 3.52 -1.09 -4.79 118.95 116.07 1pyg s ARG 641 Ca 0.06 0.91 0.01 0.00 -0.13 0.00 0.00 55.73 56.58 1pyg s ARG 641 Cb -0.02 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1pyg s ARG 641 CO -0.01 -0.11 -0.17 0.08 -0.81 0.00 0.00 175.30 174.28 1pyg s VAL 642 N 1.62 2.69 -0.06 7.11 1.01 -1.26 -1.04 120.40 130.47 1pyg s VAL 642 Ca -0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1pyg s VAL 642 Cb -0.05 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1pyg s VAL 642 CO -0.17 0.53 0.12 -0.63 0.00 0.00 0.00 175.10 174.96 1pyg s ILE 643 N 0.40 -0.11 -0.16 2.22 1.01 -0.06 -4.62 121.20 119.88 1pyg s ILE 643 Ca -0.13 0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 1pyg s ILE 643 Cb -0.17 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 1pyg s ILE 643 CO 0.06 0.11 0.61 0.12 0.00 0.00 0.00 174.94 175.83 1pyg s PHE 644 N 1.54 3.44 -0.51 3.97 5.36 -1.26 -1.45 117.98 129.07 1pyg s PHE 644 Ca -0.05 0.97 -0.22 0.00 -0.96 0.00 0.00 56.93 56.67 1pyg s PHE 644 Cb -0.12 -2.75 0.04 0.00 -0.34 0.00 0.00 43.02 39.86 1pyg s PHE 644 CO -0.05 -0.06 0.78 -0.51 -1.46 0.00 0.00 175.22 173.92 1pyg s LEU 645 N 1.45 4.45 0.45 6.12 1.43 -0.22 -4.95 118.68 127.41 1pyg s LEU 645 Ca 0.30 -0.49 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1pyg s LEU 645 Cb -0.16 -2.72 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 1pyg s LEU 645 CO 0.12 -1.02 1.02 -1.83 0.23 0.00 0.00 176.35 174.87 1pyg s GLU 646 N 3.29 4.00 -1.10 1.70 -1.05 -1.26 -4.16 118.70 120.12 1pyg s GLU 646 Ca 0.25 1.35 -0.14 0.00 -0.15 0.00 0.00 54.97 56.27 1pyg s GLU 646 Cb -0.15 -2.24 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 1pyg s GLU 646 CO 0.17 -0.26 0.85 -1.71 0.95 0.00 0.00 175.26 175.27 1pyg n ASN 647 N -0.64 -5.90 -4.74 0.83 5.15 -1.26 -4.93 115.26 103.76 1pyg n ASN 647 Ca 0.08 -0.88 -0.41 0.00 -0.60 0.00 0.00 54.58 52.77 1pyg n ASN 647 Cb 0.52 -4.23 -0.04 0.00 -0.53 0.00 0.00 39.78 35.51 1pyg n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1pyg s TYR 648 N -3.43 3.45 0.17 1.20 5.04 -1.26 -4.86 117.35 117.65 1pyg s TYR 648 Ca 0.46 1.48 -0.09 0.00 -2.44 0.00 0.00 57.07 56.49 1pyg s TYR 648 Cb -0.12 -3.41 0.03 0.00 0.35 0.00 0.00 41.96 38.82 1pyg s TYR 648 CO 0.81 -1.08 0.44 2.89 -1.34 0.00 0.00 175.55 177.26 1pyg n ARG 649 N 2.20 0.50 -0.25 4.97 1.85 -1.26 -4.83 116.66 119.83 1pyg n ARG 649 Ca 0.03 -1.02 -0.02 0.00 -1.00 0.00 0.00 57.85 55.85 1pyg n ARG 649 Cb 0.45 1.29 0.10 0.00 -1.05 0.00 0.00 32.46 33.25 1pyg n ARG 649 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1pyg h VAL 650 N 1.50 1.03 -0.00 8.89 2.07 -1.94 -0.21 116.25 127.60 1pyg h VAL 650 Ca -0.16 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 1pyg h VAL 650 Cb 0.62 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1pyg h VAL 650 CO 0.21 0.15 -0.63 0.77 0.02 0.00 0.00 177.57 178.08 1pyg h SER 651 N 0.81 0.00 -0.27 0.57 4.64 -1.97 -0.65 113.55 116.68 1pyg h SER 651 Ca 0.31 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.50 1pyg h SER 651 Cb 0.11 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1pyg h SER 651 CO -0.15 0.64 -0.30 0.25 -0.87 0.00 0.00 176.83 176.40 1pyg h LEU 652 N 0.00 0.74 -0.75 5.97 5.85 -1.82 -2.94 115.31 122.35 1pyg h LEU 652 Ca -0.01 -0.48 0.12 0.00 0.84 0.00 0.00 57.88 58.35 1pyg h LEU 652 Cb 1.12 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 1pyg h LEU 652 CO 0.08 1.07 0.35 0.00 -0.34 0.00 0.00 178.44 179.60 1pyg h ALA 653 N 0.69 1.07 0.00 1.25 0.00 -0.68 0.14 119.26 121.72 1pyg h ALA 653 Ca 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pyg h ALA 653 Cb 0.87 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pyg h ALA 653 CO 0.07 -0.12 -0.11 0.93 0.00 0.00 0.00 179.25 180.03 1pyg h GLU 654 N 0.54 0.00 0.00 0.00 5.08 -0.98 -1.96 114.58 117.26 1pyg h GLU 654 Ca 0.40 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.50 1pyg h GLU 654 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1pyg h GLU 654 CO -0.34 0.11 -1.46 0.87 -1.00 0.00 0.00 179.01 177.19 1pyg h LYS 655 N 0.00 0.00 0.08 2.33 1.57 -0.65 -3.40 116.57 116.50 1pyg h LYS 655 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1pyg h LYS 655 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1pyg h LYS 655 CO 0.01 0.61 -1.85 1.55 -0.57 0.00 0.00 179.45 179.20 1pyg n VAL 656 N -3.12 1.70 -0.13 0.50 3.14 -0.08 -4.44 118.33 115.89 1pyg n VAL 656 Ca -0.11 -0.48 -0.08 0.00 -2.96 0.00 0.00 64.34 60.71 1pyg n VAL 656 Cb 0.99 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.97 1pyg n VAL 656 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1pyg h ILE 657 N -0.24 1.11 -0.97 1.55 2.04 -1.60 0.42 117.51 119.81 1pyg h ILE 657 Ca -0.42 -0.19 0.28 0.00 1.00 0.00 0.00 64.86 65.53 1pyg h ILE 657 Cb 1.83 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1pyg h ILE 657 CO -0.01 0.10 1.21 -0.65 0.00 0.00 0.00 178.15 178.80 1pyg h PRO 658 N 0.56 0.00 -0.01 2.37 0.11 -1.80 -2.50 132.00 130.74 1pyg h PRO 658 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1pyg h PRO 658 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1pyg h PRO 658 CO -0.03 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 177.48 1pyg n ALA 659 N -2.20 3.05 -1.77 -0.75 0.00 0.12 -4.77 120.51 114.20 1pyg n ALA 659 Ca 0.22 -0.53 -0.38 0.00 0.00 0.00 0.00 53.44 52.75 1pyg n ALA 659 Cb 1.50 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 20.38 1pyg n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyg s ALA 660 N -1.75 3.20 -0.15 0.00 0.00 -0.94 -4.72 121.76 117.40 1pyg s ALA 660 Ca 0.13 0.76 0.13 0.00 0.00 0.00 0.00 51.96 52.98 1pyg s ALA 660 Cb 0.12 -3.29 -0.19 0.00 0.00 0.00 0.00 23.12 19.77 1pyg s ALA 660 CO 0.36 -0.18 0.04 -0.25 0.00 0.00 0.00 175.76 175.73 1pyg n ASP 661 N 0.40 1.27 -3.89 0.00 8.00 -0.57 -4.20 116.55 117.57 1pyg n ASP 661 Ca 0.03 -0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 1pyg n ASP 661 Cb 0.48 0.82 -0.15 0.00 -0.02 0.00 0.00 41.12 42.24 1pyg n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1pyg s LEU 662 N -5.19 1.62 -0.40 0.64 2.96 -0.89 -0.72 118.68 116.70 1pyg s LEU 662 Ca -0.09 -0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1pyg s LEU 662 Cb 0.05 -0.23 0.06 0.00 0.50 0.00 0.00 46.19 46.56 1pyg s LEU 662 CO 0.62 -0.02 0.23 -0.55 -1.32 0.00 0.00 176.35 175.31 1pyg s SER 663 N 0.43 5.64 -0.83 3.68 0.15 0.56 -0.68 113.70 122.64 1pyg s SER 663 Ca -0.04 -1.33 -0.25 0.00 0.70 0.00 0.00 55.95 55.03 1pyg s SER 663 Cb -0.07 -1.99 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1pyg s SER 663 CO -0.01 -0.48 1.88 -1.61 1.20 0.00 0.00 173.24 174.22 1pyg s GLU 664 N 1.46 2.65 -0.94 5.44 0.41 -0.71 -1.03 118.70 125.98 1pyg s GLU 664 Ca 0.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 54.97 54.48 1pyg s GLU 664 Cb -0.22 -4.87 0.30 0.00 -1.78 0.00 0.00 34.13 27.56 1pyg s GLU 664 CO 0.03 -3.10 1.38 1.04 -0.49 0.00 0.00 175.26 174.13 1pyg n GLN 665 N 8.96 4.24 -1.27 1.61 1.13 0.77 -4.84 117.38 127.99 1pyg n GLN 665 Ca 0.33 -4.63 -0.27 0.00 -1.94 0.00 0.00 57.00 50.49 1pyg n GLN 665 Cb 0.49 -2.43 0.14 0.00 0.11 0.00 0.00 30.24 28.54 1pyg n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1pyg n ILE 666 N 0.78 3.32 -1.75 5.09 -5.35 -1.26 -2.29 119.36 117.90 1pyg n ILE 666 Ca 0.32 -2.44 -0.33 0.00 -0.27 0.00 0.00 62.75 60.02 1pyg n ILE 666 Cb 0.33 -0.75 0.05 0.00 -1.74 0.00 0.00 39.64 37.53 1pyg n ILE 666 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1pyg s SER 667 N -1.66 5.04 0.49 7.28 0.01 -1.26 -4.51 113.70 119.09 1pyg s SER 667 Ca 0.59 2.05 -0.24 0.00 1.31 0.00 0.00 55.95 59.67 1pyg s SER 667 Cb 0.49 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 64.09 1pyg s SER 667 CO 0.05 -1.68 1.37 0.41 0.41 0.00 0.00 173.24 173.80 1pyg n THR 668 N -2.38 3.19 -2.01 1.44 -1.04 -1.02 -4.71 114.28 107.75 1pyg n THR 668 Ca 0.11 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.21 1pyg n THR 668 Cb 0.52 -1.71 -0.01 0.00 -1.82 0.00 0.00 70.33 67.31 1pyg n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pyg s ALA 669 N -1.24 3.42 0.00 2.41 0.00 -1.26 -2.38 121.76 122.72 1pyg s ALA 669 Ca 0.66 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1pyg s ALA 669 Cb -0.44 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1pyg s ALA 669 CO 0.54 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1pyg n GLY 670 N 0.67 3.44 0.66 0.00 0.00 -1.26 -4.72 105.19 103.97 1pyg n GLY 670 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1pyg n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pyg n THR 671 N -1.81 0.16 -4.31 2.61 -2.24 -1.00 -4.93 114.28 102.77 1pyg n THR 671 Ca 0.00 -0.39 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 1pyg n THR 671 Cb 0.00 0.62 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 1pyg n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pyg s GLU 672 N -1.84 0.64 -0.19 -0.78 2.56 -1.26 -4.96 118.70 112.88 1pyg s GLU 672 Ca 0.34 -0.29 -0.17 0.00 0.00 0.00 0.00 54.97 54.85 1pyg s GLU 672 Cb 0.20 -0.62 -0.06 0.00 2.00 0.00 0.00 34.13 35.64 1pyg s GLU 672 CO 0.30 0.17 -0.33 0.00 -0.56 0.00 0.00 175.26 174.83 1pyg n ALA 673 N 2.86 0.88 -2.71 6.30 0.00 -1.26 -3.57 120.51 123.01 1pyg n ALA 673 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1pyg n ALA 673 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1pyg n ALA 673 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pyg n SER 674 N -4.45 0.00 0.00 0.00 2.88 -1.26 -3.91 113.62 106.88 1pyg n SER 674 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1pyg n SER 674 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1pyg n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pyg n GLY 675 N 5.00 -1.26 0.26 0.46 0.00 -1.26 -1.85 105.19 106.54 1pyg n GLY 675 Ca 0.00 0.47 0.09 0.00 0.00 0.00 0.00 46.02 46.57 1pyg n GLY 675 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pyg h THR 676 N 0.00 0.93 -0.75 2.61 1.35 -1.97 -2.18 112.91 112.90 1pyg h THR 676 Ca 0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 1pyg h THR 676 Cb 0.00 1.05 -0.04 0.00 -1.73 0.00 0.00 68.15 67.43 1pyg h THR 676 CO 0.00 0.02 0.44 1.23 -0.25 0.00 0.00 175.52 176.96 1pyg h GLY 677 N 0.08 1.09 0.46 5.82 0.00 -1.97 -1.89 103.07 106.66 1pyg h GLY 677 Ca -0.00 -0.46 0.08 0.00 0.00 0.00 0.00 47.33 46.95 1pyg h GLY 677 CO 0.00 0.44 0.20 3.43 0.00 0.00 0.00 176.54 180.61 1pyg h ASN 678 N 1.03 0.19 0.05 0.19 4.21 -1.81 0.13 115.58 119.57 1pyg h ASN 678 Ca 0.27 0.07 -0.12 0.00 1.21 0.00 0.00 56.30 57.73 1pyg h ASN 678 Cb -0.02 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 1pyg h ASN 678 CO -0.05 0.13 -0.39 0.24 -1.29 0.00 0.00 177.43 176.07 1pyg h MET 679 N 0.37 0.45 -0.14 0.81 2.86 -1.36 -1.85 114.93 116.08 1pyg h MET 679 Ca 0.27 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1pyg h MET 679 Cb 0.31 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1pyg h MET 679 CO -0.28 0.77 0.04 0.87 1.06 0.00 0.00 176.91 179.38 1pyg h LYS 680 N 0.38 0.21 -0.75 1.72 1.57 -0.28 -2.27 116.57 117.15 1pyg h LYS 680 Ca 0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1pyg h LYS 680 Cb 0.86 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 1pyg h LYS 680 CO 0.07 0.34 0.38 0.74 -0.57 0.00 0.00 179.45 180.41 1pyg h PHE 681 N 0.04 1.04 -0.17 -1.35 0.04 -0.73 -2.20 116.94 113.62 1pyg h PHE 681 Ca 0.04 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1pyg h PHE 681 Cb 0.22 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1pyg h PHE 681 CO -0.00 0.74 0.08 1.98 -0.60 0.00 0.00 178.31 180.51 1pyg h MET 682 N 1.05 0.17 -0.06 1.51 4.05 -0.98 -2.29 114.93 118.38 1pyg h MET 682 Ca 0.26 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.62 1pyg h MET 682 Cb 0.07 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1pyg h MET 682 CO -0.04 0.12 -0.21 1.25 0.23 0.00 0.00 176.91 178.26 1pyg h LEU 683 N 0.18 0.09 -1.75 3.39 6.46 -1.14 -3.03 115.31 119.51 1pyg h LEU 683 Ca 0.07 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1pyg h LEU 683 Cb 0.01 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1pyg h LEU 683 CO -0.04 0.31 0.00 0.59 -0.62 0.00 0.00 178.44 178.68 1pyg n ASN 684 N -4.25 2.58 0.00 1.25 4.13 -0.85 -4.91 115.26 113.21 1pyg n ASN 684 Ca -0.02 -2.15 0.00 0.00 1.68 0.00 0.00 54.58 54.10 1pyg n ASN 684 Cb 0.30 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 1pyg n ASN 684 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pyg n GLY 685 N 0.92 0.92 3.60 7.41 0.00 -1.14 -4.80 105.19 112.09 1pyg n GLY 685 Ca 0.14 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1pyg n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg s ALA 686 N -2.00 3.03 0.07 4.61 0.00 -0.91 -4.76 121.76 121.80 1pyg s ALA 686 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1pyg s ALA 686 Cb 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 1pyg s ALA 686 CO 0.00 0.60 0.37 -0.51 0.00 0.00 0.00 175.76 176.23 1pyg s LEU 687 N -1.24 4.35 -0.09 0.00 1.43 0.10 -4.34 118.68 118.89 1pyg s LEU 687 Ca 0.16 0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 1pyg s LEU 687 Cb -0.11 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 1pyg s LEU 687 CO 0.06 0.18 0.22 -0.89 0.23 0.00 0.00 176.35 176.14 1pyg s THR 688 N -1.40 5.37 -0.14 5.49 2.01 -1.26 -0.33 115.64 125.39 1pyg s THR 688 Ca 0.32 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 1pyg s THR 688 Cb -0.14 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1pyg s THR 688 CO 0.18 0.59 -0.12 -0.51 -0.69 0.00 0.00 174.62 174.08 1pyg s ILE 689 N -0.94 3.12 0.11 1.82 2.07 -0.20 -1.62 121.20 125.57 1pyg s ILE 689 Ca 0.17 -0.63 -0.25 0.00 -1.41 0.00 0.00 60.65 58.52 1pyg s ILE 689 Cb -0.13 -2.32 0.08 0.00 0.13 0.00 0.00 42.46 40.22 1pyg s ILE 689 CO 0.06 0.52 1.10 -0.83 -1.91 0.00 0.00 174.94 173.88 1pyg s GLY 690 N 0.42 -0.12 0.42 1.50 0.00 0.57 -0.16 107.32 109.95 1pyg s GLY 690 Ca -0.09 0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.63 1pyg s GLY 690 CO 0.05 1.65 0.72 -0.51 0.00 0.00 0.00 173.10 175.00 1pyg s THR 691 N -2.52 4.93 -0.84 0.90 -4.23 -0.97 -1.12 115.64 111.78 1pyg s THR 691 Ca 0.18 0.15 -0.25 0.00 -1.18 0.00 0.00 61.69 60.59 1pyg s THR 691 Cb -0.00 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 70.05 1pyg s THR 691 CO 0.02 -0.68 1.31 -0.32 -0.54 0.00 0.00 174.62 174.41 1pyg s MET 692 N -4.38 3.34 -0.03 3.99 1.75 -1.26 -4.72 119.30 117.99 1pyg s MET 692 Ca 0.46 -0.66 -0.30 0.00 -1.25 0.00 0.00 55.69 53.95 1pyg s MET 692 Cb -0.10 -4.64 0.11 0.00 2.84 0.00 0.00 34.83 33.04 1pyg s MET 692 CO 0.39 -2.13 1.02 0.34 -0.65 0.00 0.00 175.02 173.99 1pyg s ASP 693 N 4.18 -0.25 0.46 1.11 2.15 -1.26 -4.70 116.67 118.36 1pyg s ASP 693 Ca 0.38 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1pyg s ASP 693 Cb -0.06 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 1pyg s ASP 693 CO 0.05 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 1pyg n GLY 694 N -0.26 2.76 0.27 2.66 0.00 -1.23 -0.27 105.19 109.11 1pyg n GLY 694 Ca -0.06 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1pyg n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg h ALA 695 N -0.24 1.36 -0.40 4.61 0.00 -1.48 -3.02 119.26 120.10 1pyg h ALA 695 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1pyg h ALA 695 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1pyg h ALA 695 CO 0.00 0.13 0.01 -0.91 0.00 0.00 0.00 179.25 178.48 1pyg h ASN 696 N 0.00 0.60 0.62 0.00 2.35 -0.94 -2.28 115.58 115.94 1pyg h ASN 696 Ca -0.00 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1pyg h ASN 696 Cb 0.27 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1pyg h ASN 696 CO 0.01 0.67 -0.48 0.58 -1.65 0.00 0.00 177.43 176.56 1pyg h VAL 697 N 0.60 0.00 0.00 2.81 2.07 -1.36 -1.07 116.25 119.30 1pyg h VAL 697 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1pyg h VAL 697 Cb 0.37 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1pyg h VAL 697 CO 0.01 0.00 -0.10 -0.33 0.02 0.00 0.00 177.57 177.17 1pyg h GLU 698 N -1.06 0.00 0.15 1.57 5.08 -1.64 -2.55 114.58 116.13 1pyg h GLU 698 Ca -0.08 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.98 1pyg h GLU 698 Cb 0.88 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.14 1pyg h GLU 698 CO 0.02 0.10 -1.42 0.52 -1.00 0.00 0.00 179.01 177.23 1pyg h MET 699 N 0.00 0.33 -0.90 2.33 2.86 -1.31 -2.58 114.93 115.65 1pyg h MET 699 Ca -0.00 -0.56 0.06 0.00 -2.06 0.00 0.00 59.70 57.14 1pyg h MET 699 Cb 0.46 0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.27 1pyg h MET 699 CO 0.01 1.23 0.59 0.00 1.06 0.00 0.00 176.91 179.81 1pyg h ALA 700 N 0.44 1.50 0.00 6.32 0.00 -0.79 -0.59 119.26 126.14 1pyg h ALA 700 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pyg h ALA 700 Cb 2.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1pyg h ALA 700 CO 0.20 0.37 0.00 -1.91 0.00 0.00 0.00 179.25 177.91 1pyg n GLU 701 N -4.48 0.20 -0.12 0.00 2.13 -1.05 -0.18 120.64 117.13 1pyg n GLU 701 Ca 0.13 0.28 -0.25 0.00 0.66 0.00 0.00 57.16 57.98 1pyg n GLU 701 Cb 0.18 -1.79 -0.11 0.00 0.27 0.00 0.00 31.44 29.99 1pyg n GLU 701 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1pyg n GLU 702 N -2.16 0.62 0.15 5.31 4.07 -0.70 -4.50 120.64 123.43 1pyg n GLU 702 Ca 0.04 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 1pyg n GLU 702 Cb 0.33 -1.54 0.23 0.00 -0.06 0.00 0.00 31.44 30.40 1pyg n GLU 702 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pyg h ALA 703 N -0.58 1.08 -0.22 4.31 0.00 -1.17 -3.46 119.26 119.22 1pyg h ALA 703 Ca -0.62 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1pyg h ALA 703 Cb 1.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1pyg h ALA 703 CO -0.27 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1pyg n GLY 704 N 0.06 0.42 0.26 0.00 0.00 0.74 -4.61 105.19 102.07 1pyg n GLY 704 Ca -0.01 -1.01 0.26 0.00 0.00 0.00 0.00 46.02 45.26 1pyg n GLY 704 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pyg n GLU 705 N 2.61 -0.05 -0.38 1.61 2.13 0.26 -0.01 120.64 126.81 1pyg n GLU 705 Ca 0.00 1.10 0.34 0.00 0.66 0.00 0.00 57.16 59.26 1pyg n GLU 705 Cb 0.00 -1.98 0.68 0.00 0.27 0.00 0.00 31.44 30.41 1pyg n GLU 705 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1pyg h GLU 706 N 0.00 0.11 -0.61 5.31 3.07 -1.89 -0.03 114.58 120.55 1pyg h GLU 706 Ca 0.68 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 1pyg h GLU 706 Cb 1.82 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.71 1pyg h GLU 706 CO -0.60 0.08 0.00 0.09 -1.40 0.00 0.00 179.01 177.18 1pyg n ASN 707 N -4.35 5.44 -4.08 1.42 3.02 0.98 -4.93 115.26 112.76 1pyg n ASN 707 Ca 0.29 -2.82 -0.20 0.00 -0.03 0.00 0.00 54.58 51.82 1pyg n ASN 707 Cb 1.25 -0.66 -0.14 0.00 -0.61 0.00 0.00 39.78 39.62 1pyg n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pyg s PHE 708 N -2.55 1.03 -1.14 3.10 0.40 -0.03 -4.84 117.98 113.95 1pyg s PHE 708 Ca 0.52 -0.24 -0.10 0.00 -0.60 0.00 0.00 56.93 56.52 1pyg s PHE 708 Cb 0.39 -0.65 0.26 0.00 0.51 0.00 0.00 43.02 43.53 1pyg s PHE 708 CO 0.17 -0.01 1.23 1.19 0.70 0.00 0.00 175.22 178.50 1pyg n PHE 709 N 2.54 4.97 -2.78 0.36 3.72 -0.64 -4.99 117.46 120.63 1pyg n PHE 709 Ca -0.15 -3.68 -0.37 0.00 -0.05 0.00 0.00 57.45 53.19 1pyg n PHE 709 Cb 0.56 -1.79 -0.06 0.00 -0.94 0.00 0.00 39.48 37.25 1pyg n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1pyg s ILE 710 N -0.74 4.19 0.32 4.37 -1.09 -1.26 -0.31 121.20 126.68 1pyg s ILE 710 Ca 0.34 1.87 -0.10 0.00 -2.23 0.00 0.00 60.65 60.52 1pyg s ILE 710 Cb -0.07 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.76 1pyg s ILE 710 CO -0.05 0.21 0.57 0.72 -1.23 0.00 0.00 174.94 175.16 1pyg s PHE 711 N -1.54 0.54 0.24 3.97 -0.12 -0.28 -4.88 117.98 115.91 1pyg s PHE 711 Ca 0.48 -0.93 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 1pyg s PHE 711 Cb -0.20 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 1pyg s PHE 711 CO 0.25 -1.21 0.00 0.41 -0.05 0.00 0.00 175.22 174.62 1pyg n GLY 712 N -0.49 -1.80 3.52 1.99 0.00 -1.26 -4.36 105.19 102.78 1pyg n GLY 712 Ca -0.02 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1pyg n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pyg n MET 713 N -3.50 0.64 -4.33 1.61 2.81 -1.26 -4.84 117.12 108.25 1pyg n MET 713 Ca 0.01 0.25 -0.25 0.00 -1.81 0.00 0.00 57.70 55.90 1pyg n MET 713 Cb 0.48 -1.86 -0.09 0.00 -0.71 0.00 0.00 33.22 31.05 1pyg n MET 713 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1pyg s ARG 714 N -2.31 2.09 0.48 0.03 0.52 -1.26 -4.51 118.95 113.98 1pyg s ARG 714 Ca 0.71 -1.81 0.25 0.00 -0.52 0.00 0.00 55.73 54.36 1pyg s ARG 714 Cb -0.44 -1.90 1.29 0.00 0.52 0.00 0.00 34.95 34.42 1pyg s ARG 714 CO 0.52 0.07 1.88 0.28 0.02 0.00 0.00 175.30 178.06 1pyg h VAL 715 N 1.73 0.62 -0.18 3.52 2.07 -1.84 0.44 116.25 122.61 1pyg h VAL 715 Ca -0.43 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1pyg h VAL 715 Cb 1.25 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1pyg h VAL 715 CO 0.69 0.04 0.08 -0.33 0.02 0.00 0.00 177.57 178.07 1pyg h GLU 716 N 0.19 0.26 -0.05 1.57 3.07 -1.97 -2.11 114.58 115.55 1pyg h GLU 716 Ca 0.44 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.18 1pyg h GLU 716 Cb 1.42 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.27 1pyg h GLU 716 CO -0.09 0.30 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.03 1pyg h ASP 717 N 0.16 0.09 -0.03 1.42 3.32 -0.54 -1.12 116.42 119.71 1pyg h ASP 717 Ca 0.06 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.84 1pyg h ASP 717 Cb 0.12 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.67 1pyg h ASP 717 CO -0.01 0.43 -0.92 -0.37 -1.72 0.00 0.00 179.24 176.66 1pyg h VAL 718 N 0.08 1.29 -0.22 -1.35 -1.51 -1.10 -2.50 116.25 110.94 1pyg h VAL 718 Ca 0.01 -2.14 -0.01 0.00 -1.23 0.00 0.00 66.70 63.33 1pyg h VAL 718 Cb 0.65 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1pyg h VAL 718 CO 0.05 0.67 0.11 0.44 -1.23 0.00 0.00 177.57 177.60 1pyg h ASP 719 N 0.45 0.28 -0.44 4.19 5.19 -1.04 -0.28 116.42 124.78 1pyg h ASP 719 Ca -0.09 -0.12 0.08 0.00 -0.62 0.00 0.00 57.03 56.27 1pyg h ASP 719 Cb 1.55 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 40.93 1pyg h ASP 719 CO 0.18 0.32 0.06 0.03 -3.12 0.00 0.00 179.24 176.72 1pyg h ARG 720 N 0.22 0.18 0.00 3.56 3.08 -1.21 0.19 114.38 120.40 1pyg h ARG 720 Ca 0.07 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1pyg h ARG 720 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1pyg h ARG 720 CO -0.01 0.12 -0.20 1.25 -1.07 0.00 0.00 179.97 180.06 1pyg h LEU 721 N 0.19 0.00 -0.22 3.04 5.85 -0.81 0.55 115.31 123.91 1pyg h LEU 721 Ca 0.22 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.72 1pyg h LEU 721 Cb 0.29 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.33 1pyg h LEU 721 CO -0.31 0.20 -0.82 0.44 -0.34 0.00 0.00 178.44 177.61 1pyg h ASP 722 N 0.00 0.73 0.88 1.25 3.32 0.08 0.07 116.42 122.75 1pyg h ASP 722 Ca -0.00 -0.51 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1pyg h ASP 722 Cb 0.40 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1pyg h ASP 722 CO 0.03 1.29 -0.27 1.56 -1.72 0.00 0.00 179.24 180.13 1pyg h GLN 723 N 0.39 0.00 0.00 3.56 4.20 0.97 -3.28 115.11 120.95 1pyg h GLN 723 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1pyg h GLN 723 Cb 1.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1pyg h GLN 723 CO 0.16 0.27 -1.61 2.89 -0.67 0.00 0.00 178.83 179.86 1pyg n ARG 724 N -3.45 0.62 0.00 1.46 1.85 0.18 -5.06 116.66 112.26 1pyg n ARG 724 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1pyg n ARG 724 Cb 0.45 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 1pyg n ARG 724 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pyg n GLY 725 N 1.40 2.13 3.63 2.89 0.00 -0.00 -5.03 105.19 110.21 1pyg n GLY 725 Ca -0.02 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1pyg n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pyg s TYR 726 N 0.00 3.27 -0.30 1.61 5.04 -1.16 -4.84 117.35 120.96 1pyg s TYR 726 Ca 0.00 0.88 0.01 0.00 -2.44 0.00 0.00 57.07 55.52 1pyg s TYR 726 Cb 0.00 -3.00 0.09 0.00 0.35 0.00 0.00 41.96 39.41 1pyg s TYR 726 CO 0.00 -0.41 0.07 1.21 -1.34 0.00 0.00 175.55 175.07 1pyg s ASN 727 N 1.48 4.16 0.62 4.32 3.84 -1.26 -4.96 114.94 123.14 1pyg s ASN 727 Ca 0.30 -1.69 0.34 0.00 0.21 0.00 0.00 52.86 52.02 1pyg s ASN 727 Cb -0.15 -1.08 1.94 0.00 -0.55 0.00 0.00 41.25 41.41 1pyg s ASN 727 CO 0.09 -0.38 2.22 0.00 -2.79 0.00 0.00 177.10 176.24 1pyg h ALA 728 N 7.96 1.44 0.00 1.71 0.00 -1.88 -0.52 119.26 127.96 1pyg h ALA 728 Ca -0.12 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1pyg h ALA 728 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1pyg h ALA 728 CO 0.47 -0.11 -0.35 0.37 0.00 0.00 0.00 179.25 179.63 1pyg h GLN 729 N 0.00 0.00 0.25 0.00 5.75 -1.93 -1.77 115.11 117.41 1pyg h GLN 729 Ca 0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1pyg h GLN 729 Cb 0.19 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1pyg h GLN 729 CO -0.00 0.35 -0.24 0.93 -2.65 0.00 0.00 178.83 177.22 1pyg h GLU 730 N 0.00 -0.50 -0.56 1.69 3.07 -1.51 0.09 114.58 116.87 1pyg h GLU 730 Ca -0.00 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1pyg h GLU 730 Cb 0.67 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.66 1pyg h GLU 730 CO 0.05 -0.33 0.33 1.88 -1.40 0.00 0.00 179.01 179.53 1pyg h TYR 731 N -0.52 0.61 -0.38 4.33 -1.99 -1.57 -0.03 116.97 117.41 1pyg h TYR 731 Ca -0.01 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.78 1pyg h TYR 731 Cb 0.48 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 1pyg h TYR 731 CO -0.16 0.34 0.16 -0.92 -0.00 0.00 0.00 178.16 177.58 1pyg h TYR 732 N 0.64 0.30 -0.30 4.88 3.20 -1.19 -0.59 116.97 123.90 1pyg h TYR 732 Ca 0.23 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.97 1pyg h TYR 732 Cb 0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1pyg h TYR 732 CO -0.07 0.14 -0.41 -0.44 -1.64 0.00 0.00 178.16 175.74 1pyg h ASP 733 N 0.34 0.80 0.20 -2.11 3.32 0.02 -3.21 116.42 115.78 1pyg h ASP 733 Ca 0.17 -0.37 -0.16 0.00 0.02 0.00 0.00 57.03 56.70 1pyg h ASP 733 Cb 0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1pyg h ASP 733 CO -0.15 1.11 -0.59 0.03 -1.72 0.00 0.00 179.24 177.92 1pyg h ARG 734 N 0.61 0.39 -4.48 3.56 -0.00 -0.65 -3.43 114.38 110.38 1pyg h ARG 734 Ca 0.05 -0.26 -0.71 0.00 -0.50 0.00 0.00 59.98 58.56 1pyg h ARG 734 Cb 0.96 0.04 -0.30 0.00 0.00 0.00 0.00 29.97 30.67 1pyg h ARG 734 CO 0.09 0.87 -0.50 0.42 0.00 0.00 0.00 179.97 180.85 1pyg s ILE 735 N -3.85 3.91 0.21 2.04 1.01 -0.26 -4.96 121.20 119.29 1pyg s ILE 735 Ca -0.06 -1.56 -0.06 0.00 0.00 0.00 0.00 60.65 58.97 1pyg s ILE 735 Cb 0.12 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 39.21 1pyg s ILE 735 CO 0.82 -0.52 1.67 -0.65 0.00 0.00 0.00 174.94 176.26 1pyg h PRO 736 N 8.30 0.92 0.00 2.79 0.11 -1.85 -1.23 132.00 141.04 1pyg h PRO 736 Ca -0.21 -0.30 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1pyg h PRO 736 Cb 1.07 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1pyg h PRO 736 CO 0.73 0.95 -0.12 0.93 -0.21 0.00 0.00 178.00 180.29 1pyg h GLU 737 N 0.84 0.00 0.01 1.05 5.08 -1.95 -2.18 114.58 117.43 1pyg h GLU 737 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1pyg h GLU 737 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1pyg h GLU 737 CO 0.04 0.12 -0.19 1.25 -1.00 0.00 0.00 179.01 179.22 1pyg h LEU 738 N 0.00 0.15 -0.93 1.33 5.85 -1.60 -3.27 115.31 116.85 1pyg h LEU 738 Ca -0.00 -0.84 0.27 0.00 0.84 0.00 0.00 57.88 58.15 1pyg h LEU 738 Cb 0.39 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.22 1pyg h LEU 738 CO 0.01 0.97 0.29 -0.09 -0.34 0.00 0.00 178.44 179.29 1pyg h ARG 739 N -0.65 0.18 -0.36 1.25 2.43 -0.81 0.17 114.38 116.58 1pyg h ARG 739 Ca -0.03 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1pyg h ARG 739 Cb 1.01 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1pyg h ARG 739 CO 0.04 0.12 0.19 0.37 -1.51 0.00 0.00 179.97 179.17 1pyg h GLN 740 N 0.18 0.38 0.92 0.20 4.15 -1.49 -1.21 115.11 118.24 1pyg h GLN 740 Ca 0.62 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.97 1pyg h GLN 740 Cb 1.34 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.95 1pyg h GLN 740 CO -0.70 0.25 -0.44 0.82 -1.93 0.00 0.00 178.83 176.83 1pyg h ILE 741 N 0.39 0.00 -0.47 2.39 2.04 -0.73 0.18 117.51 121.30 1pyg h ILE 741 Ca 0.15 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1pyg h ILE 741 Cb 0.04 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 1pyg h ILE 741 CO -0.09 0.00 0.32 0.40 0.00 0.00 0.00 178.15 178.78 1pyg h ILE 742 N -1.26 0.87 0.35 -0.67 5.03 -1.35 0.17 117.51 120.65 1pyg h ILE 742 Ca -0.13 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.52 1pyg h ILE 742 Cb 0.95 0.63 0.00 0.00 -3.03 0.00 0.00 36.82 35.37 1pyg h ILE 742 CO 0.21 0.04 -0.17 -0.33 -0.68 0.00 0.00 178.15 177.22 1pyg h GLU 743 N 0.23 -0.45 -0.60 2.37 5.08 -0.89 -0.16 114.58 120.15 1pyg h GLU 743 Ca 0.22 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 1pyg h GLU 743 Cb 0.57 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1pyg h GLU 743 CO -0.04 -0.23 0.15 1.96 -1.00 0.00 0.00 179.01 179.85 1pyg h GLN 744 N -0.59 0.28 0.47 2.33 4.20 0.20 0.13 115.11 122.13 1pyg h GLN 744 Ca -0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1pyg h GLN 744 Cb 0.44 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1pyg h GLN 744 CO 0.08 0.19 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.11 1pyg h LEU 745 N 0.29 -0.58 -0.10 1.46 3.38 -0.70 -1.99 115.31 117.07 1pyg h LEU 745 Ca 0.31 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1pyg h LEU 745 Cb 0.45 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1pyg h LEU 745 CO -0.38 -0.40 0.00 0.77 0.09 0.00 0.00 178.44 178.52 1pyg h SER 746 N -0.66 0.00 0.83 -0.43 4.64 -0.28 -3.18 113.55 114.48 1pyg h SER 746 Ca -0.06 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.04 1pyg h SER 746 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1pyg h SER 746 CO 0.10 0.00 -1.00 0.77 -0.87 0.00 0.00 176.83 175.82 1pyg h SER 747 N 0.00 0.13 0.00 4.97 4.64 -0.66 -3.43 113.55 119.19 1pyg h SER 747 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1pyg h SER 747 Cb 0.81 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1pyg h SER 747 CO 0.00 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 1pyg n GLY 748 N 1.24 1.27 0.24 -0.77 0.00 -1.05 -4.77 105.19 101.34 1pyg n GLY 748 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1pyg n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pyg h PHE 749 N 0.00 0.09 0.00 1.61 3.04 -1.62 0.88 116.94 120.94 1pyg h PHE 749 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1pyg h PHE 749 Cb 0.00 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.57 1pyg h PHE 749 CO 0.00 -0.11 -0.52 0.74 -2.02 0.00 0.00 178.31 176.40 1pyg h PHE 750 N 0.18 0.00 -1.94 0.41 0.04 -1.87 -3.38 116.94 110.38 1pyg h PHE 750 Ca 0.34 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.61 1pyg h PHE 750 Cb 0.54 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.28 1pyg h PHE 750 CO -0.31 0.00 -1.06 -1.13 -0.60 0.00 0.00 178.31 175.21 1pyg n SER 751 N -2.36 1.82 0.04 2.17 3.41 -0.03 -4.85 113.62 113.83 1pyg n SER 751 Ca 0.03 -3.15 0.19 0.00 -0.26 0.00 0.00 58.87 55.68 1pyg n SER 751 Cb 0.47 -0.59 0.70 0.00 -0.26 0.00 0.00 64.21 64.53 1pyg n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1pyg h PRO 752 N 2.98 0.00 -0.11 4.33 0.13 -1.12 0.91 132.00 139.12 1pyg h PRO 752 Ca 0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1pyg h PRO 752 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1pyg h PRO 752 CO 0.58 0.00 -0.37 1.57 -0.23 0.00 0.00 178.00 179.55 1pyg h LYS 753 N 0.00 0.23 -2.61 0.86 -0.00 -1.93 -3.35 116.57 109.76 1pyg h LYS 753 Ca 0.22 -0.10 -0.60 0.00 -0.00 0.00 0.00 60.65 60.17 1pyg h LYS 753 Cb 0.90 -0.01 -0.39 0.00 -0.00 0.00 0.00 32.23 32.73 1pyg h LYS 753 CO -0.00 0.58 -0.84 -0.65 -0.00 0.00 0.00 179.45 178.53 1pyg s GLN 754 N -4.22 1.40 0.00 0.07 -0.21 0.31 -5.02 119.66 111.98 1pyg s GLN 754 Ca -0.05 -2.48 0.00 0.00 0.02 0.00 0.00 55.36 52.86 1pyg s GLN 754 Cb 0.14 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 32.08 1pyg s GLN 754 CO 0.77 -1.35 1.43 -0.35 -2.12 0.00 0.00 175.29 173.67 1pyg n PRO 755 N 2.62 0.88 -0.62 2.91 -0.04 -1.19 -2.18 135.00 137.38 1pyg n PRO 755 Ca 0.26 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 1pyg n PRO 755 Cb 0.43 -1.06 -0.01 0.00 -0.04 0.00 0.00 33.50 32.82 1pyg n PRO 755 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1pyg n ASP 756 N 1.18 -0.13 -0.11 3.54 5.68 -1.26 -4.16 116.55 121.29 1pyg n ASP 756 Ca 0.00 -1.33 -0.01 0.00 -0.50 0.00 0.00 54.79 52.95 1pyg n ASP 756 Cb 0.44 0.01 0.25 0.00 -1.14 0.00 0.00 41.12 40.68 1pyg n ASP 756 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1pyg h LEU 757 N 0.03 0.71 -3.28 -2.12 5.85 -1.78 -2.64 115.31 112.08 1pyg h LEU 757 Ca -0.10 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1pyg h LEU 757 Cb 1.15 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1pyg h LEU 757 CO -0.04 0.64 0.00 0.49 -0.34 0.00 0.00 178.44 179.19 1pyg n PHE 758 N -4.33 1.69 -0.12 1.25 3.72 -1.26 -4.41 117.46 114.00 1pyg n PHE 758 Ca 0.04 -0.65 0.14 0.00 -0.05 0.00 0.00 57.45 56.94 1pyg n PHE 758 Cb 0.16 -0.33 0.52 0.00 -0.94 0.00 0.00 39.48 38.89 1pyg n PHE 758 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1pyg h LYS 759 N 4.09 0.37 -0.64 -1.08 1.57 -1.79 -0.19 116.57 118.90 1pyg h LYS 759 Ca 0.00 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1pyg h LYS 759 Cb 1.63 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.84 1pyg h LYS 759 CO 0.32 0.24 0.11 -0.44 -0.57 0.00 0.00 179.45 179.11 1pyg h ASP 760 N 0.38 1.00 0.56 0.86 3.32 -1.83 0.73 116.42 121.44 1pyg h ASP 760 Ca 0.32 -0.23 -0.29 0.00 0.02 0.00 0.00 57.03 56.86 1pyg h ASP 760 Cb 0.74 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.03 1pyg h ASP 760 CO -0.09 0.99 -1.31 0.16 -1.72 0.00 0.00 179.24 177.27 1pyg h ILE 761 N 0.99 1.43 -0.46 0.35 3.07 -1.55 -2.17 117.51 119.16 1pyg h ILE 761 Ca 0.20 -2.98 -0.08 0.00 1.55 0.00 0.00 64.86 63.55 1pyg h ILE 761 Cb 0.42 2.93 -0.02 0.00 -0.27 0.00 0.00 36.82 39.89 1pyg h ILE 761 CO 0.01 0.87 -0.01 0.58 -1.05 0.00 0.00 178.15 178.56 1pyg h VAL 762 N 0.08 1.26 -0.45 0.16 2.07 -0.87 -0.59 116.25 117.92 1pyg h VAL 762 Ca -0.16 -1.07 -0.13 0.00 0.82 0.00 0.00 66.70 66.15 1pyg h VAL 762 Cb 2.00 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1pyg h VAL 762 CO 0.21 0.37 -0.24 -1.13 0.02 0.00 0.00 177.57 176.80 1pyg h ASN 763 N 0.67 0.99 -0.22 0.57 -0.73 -0.85 -0.97 115.58 115.05 1pyg h ASN 763 Ca 0.13 -0.41 0.04 0.00 1.87 0.00 0.00 56.30 57.93 1pyg h ASN 763 Cb 0.51 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.79 1pyg h ASN 763 CO 0.03 1.18 -0.02 -0.03 -0.37 0.00 0.00 177.43 178.21 1pyg h MET 764 N 0.80 0.04 -0.40 6.67 4.05 -1.31 0.54 114.93 125.32 1pyg h MET 764 Ca 0.10 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1pyg h MET 764 Cb 0.82 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 1pyg h MET 764 CO 0.07 0.03 0.24 -0.07 0.23 0.00 0.00 176.91 177.41 1pyg h LEU 765 N 0.04 0.47 -0.56 3.39 3.38 -0.89 0.33 115.31 121.48 1pyg h LEU 765 Ca 0.11 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1pyg h LEU 765 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pyg h LEU 765 CO -0.20 0.39 -0.68 0.24 0.09 0.00 0.00 178.44 178.28 1pyg h MET 766 N 0.52 0.21 0.00 1.13 2.86 -0.73 -3.38 114.93 115.55 1pyg h MET 766 Ca 0.14 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1pyg h MET 766 Cb -0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1pyg h MET 766 CO -0.03 0.81 0.00 0.72 1.06 0.00 0.00 176.91 179.47 1pyg n HIS 767 N -3.81 0.00 -2.56 -0.22 8.25 0.19 -4.46 115.22 112.61 1pyg n HIS 767 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1pyg n HIS 767 Cb 0.67 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.85 1pyg n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1pyg n HIS 768 N -0.42 -0.98 -2.65 4.41 8.25 0.59 -4.97 115.22 119.44 1pyg n HIS 768 Ca 0.00 -1.48 -0.42 0.00 -0.26 0.00 0.00 57.72 55.56 1pyg n HIS 768 Cb 0.00 0.95 -0.03 0.00 1.12 0.00 0.00 29.99 32.03 1pyg n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1pyg s ASP 769 N -1.61 6.23 0.54 0.41 2.15 0.84 -4.84 116.67 120.38 1pyg s ASP 769 Ca 0.12 -0.79 0.28 0.00 0.43 0.00 0.00 52.55 52.59 1pyg s ASP 769 Cb 0.34 -2.51 1.52 0.00 -0.30 0.00 0.00 42.92 41.96 1pyg s ASP 769 CO -0.09 -1.66 2.10 0.03 -0.17 0.00 0.00 175.17 175.38 1pyg h ARG 770 N 9.82 0.00 -0.39 4.34 3.08 -1.96 -2.77 114.38 126.51 1pyg h ARG 770 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1pyg h ARG 770 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1pyg h ARG 770 CO 1.26 0.10 0.00 1.19 -1.07 0.00 0.00 179.97 181.45 1pyg n PHE 771 N -3.64 1.22 -3.96 3.04 3.72 -1.26 -4.97 117.46 111.61 1pyg n PHE 771 Ca -0.02 -0.77 -0.31 0.00 -0.05 0.00 0.00 57.45 56.30 1pyg n PHE 771 Cb 0.22 -0.32 0.02 0.00 -0.94 0.00 0.00 39.48 38.45 1pyg n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1pyg n LYS 772 N 0.05 -5.06 -0.15 -1.08 5.02 -1.05 -4.72 118.16 111.18 1pyg n LYS 772 Ca 0.22 0.56 -0.09 0.00 -2.02 0.00 0.00 58.31 56.98 1pyg n LYS 772 Cb 0.92 -5.39 -0.04 0.00 -0.02 0.00 0.00 35.03 30.50 1pyg n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pyg h VAL 773 N -1.98 0.12 -0.69 -0.18 2.07 -1.94 -1.04 116.25 112.62 1pyg h VAL 773 Ca -0.58 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.06 1pyg h VAL 773 Cb 1.38 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1pyg h VAL 773 CO 0.69 0.00 0.46 -0.26 0.02 0.00 0.00 177.57 178.48 1pyg h PHE 774 N -0.29 0.48 0.00 1.57 -1.00 -1.91 0.17 116.94 115.96 1pyg h PHE 774 Ca 0.15 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1pyg h PHE 774 Cb 0.57 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1pyg h PHE 774 CO -0.63 0.21 0.00 0.00 -1.61 0.00 0.00 178.31 176.28 1pyg n ALA 775 N -2.51 1.42 0.12 2.45 0.00 -0.40 -2.63 120.51 118.95 1pyg n ALA 775 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.55 1pyg n ALA 775 Cb 0.44 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.74 1pyg n ALA 775 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pyg n ASP 776 N -1.51 0.62 -0.21 0.00 8.00 0.02 -4.80 116.55 118.67 1pyg n ASP 776 Ca 0.02 -0.81 -0.04 0.00 0.71 0.00 0.00 54.79 54.67 1pyg n ASP 776 Cb 0.11 0.55 0.02 0.00 -0.02 0.00 0.00 41.12 41.78 1pyg n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1pyg h TYR 777 N 0.26 -0.77 -0.23 1.24 3.20 -1.23 0.16 116.97 119.59 1pyg h TYR 777 Ca 0.00 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1pyg h TYR 777 Cb 0.09 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1pyg h TYR 777 CO 0.00 -0.36 0.09 1.49 -1.64 0.00 0.00 178.16 177.74 1pyg h GLU 778 N -0.12 0.35 0.00 1.82 4.81 -1.87 -1.99 114.58 117.58 1pyg h GLU 778 Ca 0.26 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1pyg h GLU 778 Cb 0.54 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1pyg h GLU 778 CO -0.68 0.41 -0.47 1.49 -0.73 0.00 0.00 179.01 179.03 1pyg h GLU 779 N 0.22 0.00 -0.14 1.92 4.22 -1.87 -0.90 114.58 118.02 1pyg h GLU 779 Ca 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.48 1pyg h GLU 779 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1pyg h GLU 779 CO -0.00 0.47 -0.05 -0.92 -2.18 0.00 0.00 179.01 176.32 1pyg h TYR 780 N 0.00 0.32 0.00 0.92 3.20 -0.70 0.63 116.97 121.35 1pyg h TYR 780 Ca -0.00 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 1pyg h TYR 780 Cb 0.96 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1pyg h TYR 780 CO 0.00 0.59 -0.54 0.28 -1.64 0.00 0.00 178.16 176.86 1pyg h VAL 781 N -0.04 1.10 -0.30 1.81 2.07 -1.32 0.27 116.25 119.84 1pyg h VAL 781 Ca 0.03 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.48 1pyg h VAL 781 Cb 0.50 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1pyg h VAL 781 CO 0.02 0.52 0.07 0.11 0.02 0.00 0.00 177.57 178.31 1pyg h LYS 782 N 0.00 0.48 -0.74 1.57 1.57 -1.05 -1.77 116.57 116.64 1pyg h LYS 782 Ca -0.01 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1pyg h LYS 782 Cb 1.16 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1pyg h LYS 782 CO 0.07 0.56 0.35 0.00 -0.57 0.00 0.00 179.45 179.86 1pyg h GLN 784 N 1.04 0.78 -0.95 0.00 1.08 -0.94 -1.96 115.11 114.15 1pyg h GLN 784 Ca 0.25 -0.15 0.10 0.00 -1.45 0.00 0.00 58.65 57.40 1pyg h GLN 784 Cb 0.12 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.35 1pyg h GLN 784 CO -0.03 0.70 0.59 0.93 -0.95 0.00 0.00 178.83 180.07 1pyg h GLU 785 N 0.69 0.94 -0.12 1.46 5.08 -0.61 0.73 114.58 122.77 1pyg h GLU 785 Ca 0.17 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1pyg h GLU 785 Cb 0.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pyg h GLU 785 CO -0.01 0.62 0.04 0.00 -1.00 0.00 0.00 179.01 178.66 1pyg h ARG 786 N 0.97 0.10 -0.76 2.33 3.08 -0.89 -2.23 114.38 116.98 1pyg h ARG 786 Ca 0.45 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.59 1pyg h ARG 786 Cb 0.38 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 1pyg h ARG 786 CO -0.24 0.06 0.40 0.28 -1.07 0.00 0.00 179.97 179.41 1pyg h VAL 787 N 0.10 0.86 -0.02 2.04 2.07 -0.14 -1.16 116.25 120.00 1pyg h VAL 787 Ca 0.05 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1pyg h VAL 787 Cb 0.03 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1pyg h VAL 787 CO -0.05 0.12 -0.42 0.28 0.02 0.00 0.00 177.57 177.52 1pyg h SER 788 N 0.67 0.06 0.03 0.57 0.02 -1.20 0.57 113.55 114.27 1pyg h SER 788 Ca 0.37 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.16 1pyg h SER 788 Cb 0.38 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1pyg h SER 788 CO -0.27 0.48 -0.46 0.00 -1.14 0.00 0.00 176.83 175.44 1pyg h ALA 789 N 1.53 0.83 -0.23 3.77 0.00 -0.66 -1.72 119.26 122.79 1pyg h ALA 789 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1pyg h ALA 789 Cb 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1pyg h ALA 789 CO 0.06 0.66 -0.59 1.25 0.00 0.00 0.00 179.25 180.63 1pyg h LEU 790 N 0.41 0.92 -1.50 0.00 5.85 -0.47 -2.87 115.31 117.64 1pyg h LEU 790 Ca 0.03 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1pyg h LEU 790 Cb 0.97 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1pyg h LEU 790 CO 0.09 1.32 0.00 0.22 -0.34 0.00 0.00 178.44 179.73 1pyg h TYR 791 N 0.55 0.00 0.00 1.25 3.20 -0.73 0.89 116.97 122.14 1pyg h TYR 791 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1pyg h TYR 791 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1pyg h TYR 791 CO 0.08 0.00 0.00 -0.22 -1.64 0.00 0.00 178.16 176.38 1pyg h LYS 792 N 0.00 0.00 -3.19 1.82 3.64 -1.07 -3.36 116.57 114.40 1pyg h LYS 792 Ca 0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 1pyg h LYS 792 Cb 0.25 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.69 1pyg h LYS 792 CO 0.00 0.00 -0.32 -1.71 -2.27 0.00 0.00 179.45 175.15 1pyg n ASN 793 N -2.54 3.65 -0.37 4.20 4.05 0.31 -5.03 115.26 119.53 1pyg n ASN 793 Ca 0.02 -3.18 0.04 0.00 0.45 0.00 0.00 54.58 51.91 1pyg n ASN 793 Cb 0.29 -0.91 0.11 0.00 1.23 0.00 0.00 39.78 40.49 1pyg n ASN 793 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1pyg n PRO 794 N 2.11 -0.14 -0.21 1.20 -0.02 -1.26 -0.81 135.00 135.88 1pyg n PRO 794 Ca 0.21 1.55 -0.07 0.00 -2.02 0.00 0.00 63.50 63.18 1pyg n PRO 794 Cb 0.36 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1pyg n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1pyg h ARG 795 N 0.00 0.82 0.00 -0.52 2.43 -1.95 -0.39 114.38 114.76 1pyg h ARG 795 Ca 0.44 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1pyg h ARG 795 Cb 0.69 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1pyg h ARG 795 CO -1.02 0.60 -0.12 0.93 -1.51 0.00 0.00 179.97 178.86 1pyg h GLU 796 N 0.80 0.00 0.37 0.20 4.39 -1.31 -0.35 114.58 118.69 1pyg h GLU 796 Ca 0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1pyg h GLU 796 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1pyg h GLU 796 CO -0.04 0.12 -0.18 2.35 -1.16 0.00 0.00 179.01 180.10 1pyg h TRP 797 N 0.00 -0.47 -0.34 4.33 2.91 -1.20 -2.80 115.95 118.38 1pyg h TRP 797 Ca -0.00 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1pyg h TRP 797 Cb 0.96 0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.75 1pyg h TRP 797 CO 0.00 -0.13 0.21 1.15 -1.03 0.00 0.00 178.44 178.64 1pyg h THR 798 N -0.90 1.09 -0.18 2.65 2.02 -0.60 0.22 112.91 117.21 1pyg h THR 798 Ca -0.05 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 1pyg h THR 798 Cb 0.54 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1pyg h THR 798 CO 0.08 0.09 -0.36 0.03 0.37 0.00 0.00 175.52 175.74 1pyg h ARG 799 N 0.46 0.39 -0.27 6.66 3.08 -1.14 0.14 114.38 123.70 1pyg h ARG 799 Ca 0.12 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1pyg h ARG 799 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1pyg h ARG 799 CO -0.03 0.70 -0.40 1.98 -1.07 0.00 0.00 179.97 181.15 1pyg h MET 800 N 0.33 0.64 0.38 0.04 4.05 -0.73 -2.01 114.93 117.63 1pyg h MET 800 Ca 0.04 -0.33 -0.02 0.00 -0.28 0.00 0.00 59.70 59.11 1pyg h MET 800 Cb 0.79 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1pyg h MET 800 CO 0.06 0.93 -0.18 0.28 0.23 0.00 0.00 176.91 178.23 1pyg h VAL 801 N 0.53 0.63 -0.66 -5.77 2.07 -0.70 -2.12 116.25 110.23 1pyg h VAL 801 Ca 0.04 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.58 1pyg h VAL 801 Cb 0.93 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1pyg h VAL 801 CO 0.08 0.02 0.44 0.40 0.02 0.00 0.00 177.57 178.53 1pyg h ILE 802 N -0.56 0.91 -0.09 4.57 2.04 -0.56 0.13 117.51 123.96 1pyg h ILE 802 Ca -0.05 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1pyg h ILE 802 Cb 0.42 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1pyg h ILE 802 CO 0.09 0.09 -0.26 0.03 0.00 0.00 0.00 178.15 178.10 1pyg h ARG 803 N 0.50 0.15 0.01 2.37 3.08 -1.14 -0.46 114.38 118.89 1pyg h ARG 803 Ca 0.31 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1pyg h ARG 803 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1pyg h ARG 803 CO -0.10 0.41 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.23 1pyg h ASN 804 N 0.14 0.05 -0.06 7.04 2.35 -0.12 -3.19 115.58 121.79 1pyg h ASN 804 Ca 0.02 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 1pyg h ASN 804 Cb 0.54 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1pyg h ASN 804 CO 0.04 0.91 0.03 0.40 -1.65 0.00 0.00 177.43 177.16 1pyg h ILE 805 N -0.80 1.00 -1.00 2.81 2.04 -1.04 -1.90 117.51 118.63 1pyg h ILE 805 Ca -0.01 -0.02 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1pyg h ILE 805 Cb 0.92 0.93 -0.10 0.00 -0.74 0.00 0.00 36.82 37.83 1pyg h ILE 805 CO 0.01 0.01 0.62 0.00 0.00 0.00 0.00 178.15 178.79 1pyg h ALA 806 N 1.03 1.64 -0.23 1.87 0.00 -1.21 -0.86 119.26 121.50 1pyg h ALA 806 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pyg h ALA 806 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pyg h ALA 806 CO -0.02 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.51 1pyg n THR 807 N -4.70 0.29 0.53 0.00 -2.24 -0.92 -2.88 114.28 104.36 1pyg n THR 807 Ca 0.22 -0.44 0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1pyg n THR 807 Cb 0.50 0.49 0.45 0.00 -2.10 0.00 0.00 70.33 69.67 1pyg n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pyg n SER 808 N 0.59 0.68 -0.45 3.42 3.41 -0.33 -4.10 113.62 116.84 1pyg n SER 808 Ca 0.16 0.61 0.41 0.00 -0.26 0.00 0.00 58.87 59.79 1pyg n SER 808 Cb 0.38 -0.78 0.76 0.00 -0.26 0.00 0.00 64.21 64.32 1pyg n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1pyg h GLY 809 N 3.43 0.13 2.00 5.00 0.00 -1.76 -0.92 103.07 110.95 1pyg h GLY 809 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1pyg h GLY 809 CO 0.00 -0.03 -0.06 1.70 0.00 0.00 0.00 176.54 178.15 1pyg h LYS 810 N 0.02 0.00 -0.67 4.80 3.64 -1.91 -3.00 116.57 119.46 1pyg h LYS 810 Ca 0.70 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.08 1pyg h LYS 810 Cb 2.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.54 1pyg h LYS 810 CO -0.04 0.06 0.00 1.19 -2.27 0.00 0.00 179.45 178.39 1pyg n PHE 811 N -3.29 1.39 -2.56 1.91 3.72 -0.35 -4.83 117.46 113.45 1pyg n PHE 811 Ca -0.01 -0.57 -0.40 0.00 -0.05 0.00 0.00 57.45 56.42 1pyg n PHE 811 Cb 0.24 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 1pyg n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pyg s SER 812 N -0.90 7.37 0.02 4.37 0.15 -1.13 -0.97 113.70 122.61 1pyg s SER 812 Ca 0.50 2.13 0.17 0.00 0.70 0.00 0.00 55.95 59.45 1pyg s SER 812 Cb 0.31 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.72 1pyg s SER 812 CO 0.25 -0.08 1.53 -1.54 1.20 0.00 0.00 173.24 174.60 1pyg n SER 813 N 1.60 0.05 0.17 5.45 3.41 0.21 -1.41 113.62 123.09 1pyg n SER 813 Ca -0.00 0.51 0.01 0.00 -0.26 0.00 0.00 58.87 59.13 1pyg n SER 813 Cb 0.46 -0.52 0.29 0.00 -0.26 0.00 0.00 64.21 64.17 1pyg n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pyg h ASP 814 N 0.00 0.00 -0.01 4.04 3.32 -1.92 -0.10 116.42 121.75 1pyg h ASP 814 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pyg h ASP 814 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1pyg h ASP 814 CO 0.00 0.46 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.88 1pyg h ARG 815 N 0.00 0.03 -0.57 3.56 2.43 -1.58 -1.88 114.38 116.36 1pyg h ARG 815 Ca -0.00 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1pyg h ARG 815 Cb 0.82 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.29 1pyg h ARG 815 CO 0.06 0.54 0.11 1.15 -1.51 0.00 0.00 179.97 180.33 1pyg h THR 816 N -0.49 0.66 -0.13 0.20 2.02 -1.51 -0.60 112.91 113.04 1pyg h THR 816 Ca 0.00 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1pyg h THR 816 Cb 0.54 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1pyg h THR 816 CO 0.00 0.05 -0.12 0.40 0.37 0.00 0.00 175.52 176.22 1pyg h ILE 817 N 0.25 1.34 -0.51 3.11 1.08 -1.05 -1.61 117.51 120.12 1pyg h ILE 817 Ca 0.30 -1.25 0.10 0.00 -0.39 0.00 0.00 64.86 63.61 1pyg h ILE 817 Cb 0.43 1.88 -0.03 0.00 -3.07 0.00 0.00 36.82 36.03 1pyg h ILE 817 CO -0.39 0.36 0.35 0.00 -0.69 0.00 0.00 178.15 177.79 1pyg h ALA 818 N 0.61 2.15 -0.17 1.87 0.00 -1.09 0.61 119.26 123.24 1pyg h ALA 818 Ca 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1pyg h ALA 818 Cb 0.63 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1pyg h ALA 818 CO 0.03 -0.27 -0.28 1.96 0.00 0.00 0.00 179.25 180.69 1pyg h GLN 819 N 0.24 0.49 -0.32 0.00 4.20 -0.82 -2.52 115.11 116.39 1pyg h GLN 819 Ca 0.24 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.69 1pyg h GLN 819 Cb 0.61 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1pyg h GLN 819 CO -0.05 0.90 0.08 1.88 -0.67 0.00 0.00 178.83 180.97 1pyg h TYR 820 N 0.13 0.13 0.16 2.96 -1.99 -0.28 -0.90 116.97 117.18 1pyg h TYR 820 Ca 0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1pyg h TYR 820 Cb 0.86 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.57 1pyg h TYR 820 CO 0.09 0.04 -0.16 0.00 -0.00 0.00 0.00 178.16 178.13 1pyg h ALA 821 N 1.22 -0.32 0.31 3.88 0.00 -0.94 0.14 119.26 123.56 1pyg h ALA 821 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1pyg h ALA 821 Cb 0.15 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pyg h ALA 821 CO -0.18 -0.70 -0.15 0.00 0.00 0.00 0.00 179.25 178.21 1pyg h ARG 822 N -0.35 -0.41 -0.02 0.00 -0.00 -1.38 0.42 114.38 112.65 1pyg h ARG 822 Ca 0.00 0.03 -0.26 0.00 -0.50 0.00 0.00 59.98 59.25 1pyg h ARG 822 Cb 0.34 0.09 0.02 0.00 0.00 0.00 0.00 29.97 30.42 1pyg h ARG 822 CO -0.05 -0.09 -1.02 0.93 0.00 0.00 0.00 179.97 179.74 1pyg h GLU 823 N -0.76 0.71 0.00 0.04 5.08 -1.19 -3.37 114.58 115.09 1pyg h GLU 823 Ca -0.04 -0.74 -0.36 0.00 -1.00 0.00 0.00 59.36 57.21 1pyg h GLU 823 Cb 0.50 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1pyg h GLU 823 CO 0.07 1.32 -2.21 -0.89 -1.00 0.00 0.00 179.01 176.30 1pyg n ILE 824 N -3.86 1.20 0.12 3.13 5.41 0.27 -4.83 119.36 120.79 1pyg n ILE 824 Ca -0.11 -0.30 0.05 0.00 1.00 0.00 0.00 62.75 63.39 1pyg n ILE 824 Cb 0.87 -1.80 0.02 0.00 -0.71 0.00 0.00 39.64 38.02 1pyg n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1pyg h TRP 825 N -0.78 0.00 -0.42 1.39 6.55 -0.82 -3.48 115.95 118.39 1pyg h TRP 825 Ca -0.55 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.27 1pyg h TRP 825 Cb 1.48 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.78 1pyg h TRP 825 CO -0.07 0.34 -0.02 0.41 -1.05 0.00 0.00 178.44 178.04 1pyg n GLY 826 N 1.24 0.50 3.41 1.49 0.00 0.14 -4.99 105.19 106.98 1pyg n GLY 826 Ca -0.01 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1pyg n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyg s VAL 827 N -2.32 0.77 -0.14 1.61 -7.23 -0.50 -5.00 120.40 107.59 1pyg s VAL 827 Ca 0.01 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1pyg s VAL 827 Cb -0.00 -2.62 0.03 0.00 0.56 0.00 0.00 36.38 34.35 1pyg s VAL 827 CO 0.01 0.00 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.01 1pyg s GLU 828 N -3.88 1.69 0.44 4.82 2.56 -1.26 -3.09 118.70 119.98 1pyg s GLU 828 Ca 0.34 -0.45 -0.22 0.00 0.00 0.00 0.00 54.97 54.64 1pyg s GLU 828 Cb 0.07 -1.89 -0.12 0.00 2.00 0.00 0.00 34.13 34.19 1pyg s GLU 828 CO 0.15 -0.33 0.62 -2.30 -0.56 0.00 0.00 175.26 172.84 1pyg n PRO 829 N 4.87 0.68 -3.68 4.30 -0.02 -1.26 -4.97 135.00 134.92 1pyg n PRO 829 Ca -0.13 0.25 -0.16 0.00 -2.02 0.00 0.00 63.50 61.44 1pyg n PRO 829 Cb 0.49 -1.62 -0.15 0.00 -0.02 0.00 0.00 33.50 32.19 1pyg n PRO 829 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pyg s SER 830 N -0.95 0.55 -0.25 2.55 0.15 -0.29 -4.99 113.70 110.47 1pyg s SER 830 Ca 0.64 0.36 0.02 0.00 0.70 0.00 0.00 55.95 57.68 1pyg s SER 830 Cb -0.57 0.31 0.36 0.00 -1.71 0.00 0.00 66.02 64.42 1pyg s SER 830 CO 0.57 -0.23 1.52 0.54 1.20 0.00 0.00 173.24 176.84 1pyg n ARG 831 N 5.13 1.69 -2.38 5.44 1.74 -1.26 -3.13 116.66 123.90 1pyg n ARG 831 Ca -0.09 -1.65 -0.43 0.00 -0.77 0.00 0.00 57.85 54.92 1pyg n ARG 831 Cb 0.50 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1pyg n ARG 831 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pyg s GLN 832 N -1.81 4.27 0.48 5.56 -0.44 -1.26 -5.02 119.66 121.43 1pyg s GLN 832 Ca 0.31 1.74 -0.20 0.00 -2.50 0.00 0.00 55.36 54.71 1pyg s GLN 832 Cb 0.26 -3.70 -0.09 0.00 -1.64 0.00 0.00 33.01 27.84 1pyg s GLN 832 CO 0.06 -0.63 1.01 1.03 0.50 0.00 0.00 175.29 177.26 1pyg s ARG 833 N 3.05 3.90 -0.02 1.67 0.52 -1.26 -4.93 118.95 121.88 1pyg s ARG 833 Ca 0.58 1.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.05 1pyg s ARG 833 Cb -0.25 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 1pyg s ARG 833 CO 0.19 -0.33 0.02 -0.51 0.02 0.00 0.00 175.30 174.70 1pyg s LEU 834 N -3.48 3.64 0.00 2.53 1.02 -0.38 -5.03 118.68 116.99 1pyg s LEU 834 Ca 0.65 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.87 1pyg s LEU 834 Cb -0.14 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.02 1pyg s LEU 834 CO 0.19 0.30 0.00 -2.65 0.02 0.00 0.00 176.35 174.21 1pyg n PRO 835 N 1.48 0.00 0.00 1.29 -0.02 -1.26 -4.59 135.00 131.91 1pyg n PRO 835 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1pyg n PRO 835 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1pyg n PRO 835 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48