#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgc s ASN 5 N 0.00 4.52 0.04 4.38 0.01 -0.63 -4.78 114.94 118.48 2pgc s ASN 5 Ca 0.00 -1.29 0.03 0.00 -0.71 0.00 0.00 52.86 50.89 2pgc s ASN 5 Cb 0.00 0.28 -0.02 0.00 0.41 0.00 0.00 41.25 41.92 2pgc s ASN 5 CO 0.00 -0.96 -0.09 -0.31 -1.51 0.00 0.00 177.10 174.23 2pgc s TYR 6 N -2.76 0.80 -0.07 2.20 1.51 0.48 -0.23 117.35 119.28 2pgc s TYR 6 Ca 0.30 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 2pgc s TYR 6 Cb -0.01 -0.48 0.01 0.00 -0.11 0.00 0.00 41.96 41.38 2pgc s TYR 6 CO 0.18 -0.03 -0.13 0.08 -1.11 0.00 0.00 175.55 174.54 2pgc s VAL 7 N -1.02 1.20 -0.17 0.71 1.01 0.35 -1.07 120.40 121.40 2pgc s VAL 7 Ca -0.04 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2pgc s VAL 7 Cb -0.08 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2pgc s VAL 7 CO 0.01 0.37 0.02 -0.63 0.00 0.00 0.00 175.10 174.87 2pgc s ILE 8 N 0.70 4.41 -0.12 2.22 1.09 -0.04 0.03 121.20 129.50 2pgc s ILE 8 Ca -0.14 -0.17 0.03 0.00 -1.10 0.00 0.00 60.65 59.27 2pgc s ILE 8 Cb -0.16 -2.97 0.01 0.00 -1.06 0.00 0.00 42.46 38.28 2pgc s ILE 8 CO 0.03 0.47 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.38 2pgc s LEU 9 N 0.42 1.98 -0.04 2.97 1.02 0.05 -0.85 118.68 124.24 2pgc s LEU 9 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 54.13 53.67 2pgc s LEU 9 Cb -0.13 -1.31 -0.01 0.00 0.02 0.00 0.00 46.19 44.76 2pgc s LEU 9 CO 0.01 0.08 -0.19 -0.89 0.02 0.00 0.00 176.35 175.38 2pgc s THR 10 N 0.76 1.55 -0.09 5.49 2.01 -0.30 -1.03 115.64 124.04 2pgc s THR 10 Ca -0.10 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.13 2pgc s THR 10 Cb -0.16 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.04 2pgc s THR 10 CO 0.01 0.44 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.55 2pgc s VAL 11 N -0.07 1.37 0.00 3.82 1.01 -0.25 -0.36 120.40 125.92 2pgc s VAL 11 Ca -0.02 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2pgc s VAL 11 Cb -0.11 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2pgc s VAL 11 CO 0.02 0.41 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 2pgc s ALA 12 N 0.87 1.06 0.00 5.51 0.00 -0.43 -1.15 121.76 127.62 2pgc s ALA 12 Ca -0.10 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 2pgc s ALA 12 Cb -0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 2pgc s ALA 12 CO 0.01 0.24 0.56 -1.54 0.00 0.00 0.00 175.76 175.03 2pgc s SER 13 N -0.50 6.95 0.03 0.00 1.04 -0.45 -1.35 113.70 119.43 2pgc s SER 13 Ca 0.04 1.13 0.03 0.00 0.48 0.00 0.00 55.95 57.63 2pgc s SER 13 Cb -0.06 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 2pgc s SER 13 CO -0.00 0.15 -0.09 -0.69 0.98 0.00 0.00 173.24 173.58 2pgc s VAL 14 N -0.38 0.71 0.54 5.02 1.01 -1.26 -0.95 120.40 125.10 2pgc s VAL 14 Ca 0.29 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 2pgc s VAL 14 Cb -0.18 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2pgc s VAL 14 CO 0.17 -0.11 1.19 -1.81 0.00 0.00 0.00 175.10 174.53 2pgc s ASP 15 N -1.03 5.60 0.30 3.32 1.01 -0.99 -4.93 116.67 119.95 2pgc s ASP 15 Ca -0.03 2.34 0.04 0.00 0.71 0.00 0.00 52.55 55.61 2pgc s ASP 15 Cb -0.07 -2.60 0.47 0.00 1.01 0.00 0.00 42.92 41.73 2pgc s ASP 15 CO 0.01 -1.31 1.74 0.15 0.21 0.00 0.00 175.17 175.96 2pgc h PHE 16 N 1.31 0.43 0.00 4.23 3.57 -1.97 -2.60 116.94 121.91 2pgc h PHE 16 Ca -0.50 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 60.91 2pgc h PHE 16 Cb 1.27 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2pgc h PHE 16 CO 0.50 0.63 0.00 0.66 -2.23 0.00 0.00 178.31 177.87 2pgc h SER 17 N 0.34 0.00 0.10 0.41 4.64 -2.00 -3.04 113.55 113.99 2pgc h SER 17 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2pgc h SER 17 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2pgc h SER 17 CO 0.05 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.67 2pgc n TYR 18 N -2.49 0.00 -0.13 4.77 9.36 -0.99 -4.60 117.16 123.08 2pgc n TYR 18 Ca 0.03 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.38 2pgc n TYR 18 Cb 0.34 -0.05 0.48 0.00 -0.63 0.00 0.00 39.34 39.48 2pgc n TYR 18 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2pgc h ARG 19 N 1.98 0.44 0.22 2.98 2.47 -1.45 -2.58 114.38 118.44 2pgc h ARG 19 Ca 0.00 -0.03 -0.35 0.00 -1.26 0.00 0.00 59.98 58.35 2pgc h ARG 19 Cb 0.64 -0.10 0.02 0.00 -1.65 0.00 0.00 29.97 28.88 2pgc h ARG 19 CO 0.00 0.29 -1.64 0.93 0.56 0.00 0.00 179.97 180.12 2pgc h GLU 20 N 0.45 0.46 -0.63 0.04 5.08 -1.84 -2.39 114.58 115.75 2pgc h GLU 20 Ca 0.32 -0.78 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2pgc h GLU 20 Cb 0.64 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2pgc h GLU 20 CO -0.10 1.37 0.00 2.41 -1.00 0.00 0.00 179.01 181.69 2pgc n THR 21 N -3.64 0.00 0.00 1.13 -1.04 -0.97 -1.13 114.28 108.62 2pgc n THR 21 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2pgc n THR 21 Cb 1.09 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.45 2pgc n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pgc n ALA 23 N 0.60 0.00 -0.03 2.41 0.00 -0.90 -1.04 120.51 121.55 2pgc n ALA 23 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2pgc n ALA 23 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2pgc n ALA 23 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2pgc h ARG 24 N 0.00 0.16 -1.62 0.00 2.43 -1.42 -3.10 114.38 110.83 2pgc h ARG 24 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2pgc h ARG 24 Cb 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2pgc h ARG 24 CO 0.00 0.83 0.00 1.28 -1.51 0.00 0.00 179.97 180.57 2pgc n LEU 25 N -4.58 2.20 0.00 3.80 4.77 -0.20 -3.09 117.00 119.90 2pgc n LEU 25 Ca -0.09 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 2pgc n LEU 25 Cb 0.44 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2pgc n LEU 25 CO 0.38 0.39 0.00 -1.54 -1.33 0.00 0.00 177.39 175.29 2pgc n SER 27 N 1.06 0.00 0.07 -1.43 3.41 -1.17 -2.67 113.62 112.88 2pgc n SER 27 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2pgc n SER 27 Cb 0.29 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.75 2pgc n SER 27 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2pgc h SER 28 N 0.00 0.29 0.39 4.04 0.87 -1.85 -3.21 113.55 114.07 2pgc h SER 28 Ca 0.00 -0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 2pgc h SER 28 Cb 0.00 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2pgc h SER 28 CO 0.00 0.20 -1.52 0.22 -0.53 0.00 0.00 176.83 175.20 2pgc h TYR 29 N 0.33 0.62 -0.09 2.24 3.20 -1.82 -3.26 116.97 118.19 2pgc h TYR 29 Ca 0.13 -0.45 -0.00 0.00 3.14 0.00 0.00 58.73 61.54 2pgc h TYR 29 Cb 0.10 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 2pgc h TYR 29 CO -0.00 1.46 0.05 0.77 -1.64 0.00 0.00 178.16 178.80 2pgc h SER 30 N 0.09 0.11 -0.71 -2.11 0.02 -1.86 -2.40 113.55 106.69 2pgc h SER 30 Ca -0.25 -0.08 0.13 0.00 -0.84 0.00 0.00 61.79 60.75 2pgc h SER 30 Cb 2.06 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 64.48 2pgc h SER 30 CO 0.20 0.16 0.26 0.11 -1.14 0.00 0.00 176.83 176.42 2pgc h LYS 31 N 0.05 0.39 -0.43 3.45 6.56 -1.70 0.63 116.57 125.53 2pgc h LYS 31 Ca 0.03 -0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.64 2pgc h LYS 31 Cb 0.08 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.61 2pgc h LYS 31 CO -0.01 0.26 0.18 0.22 -2.06 0.00 0.00 179.45 178.05 2pgc h ASP 32 N 0.40 0.24 -0.28 0.86 3.58 -1.56 -0.41 116.42 119.26 2pgc h ASP 32 Ca 0.38 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.74 2pgc h ASP 32 Cb 0.57 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2pgc h ASP 32 CO -0.40 0.17 -0.34 -0.07 -2.88 0.00 0.00 179.24 175.72 2pgc h LEU 33 N 0.37 0.78 -0.28 2.28 3.38 -0.83 -0.60 115.31 120.42 2pgc h LEU 33 Ca 0.19 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2pgc h LEU 33 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2pgc h LEU 33 CO -0.17 1.12 0.16 0.40 0.09 0.00 0.00 178.44 180.04 2pgc h ILE 34 N 0.46 1.11 0.02 1.22 2.04 -0.76 0.15 117.51 121.75 2pgc h ILE 34 Ca 0.04 -0.28 -0.23 0.00 1.00 0.00 0.00 64.86 65.39 2pgc h ILE 34 Cb 0.92 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2pgc h ILE 34 CO 0.08 0.11 -1.12 0.44 0.00 0.00 0.00 178.15 177.66 2pgc h ASP 35 N 0.35 0.06 0.00 1.72 3.32 -1.13 -3.32 116.42 117.42 2pgc h ASP 35 Ca 0.10 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 2pgc h ASP 35 Cb 0.03 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2pgc h ASP 35 CO -0.02 1.05 -1.50 0.59 -1.72 0.00 0.00 179.24 177.65 2pgc n ASN 36 N -3.34 3.23 0.02 6.45 4.13 -0.23 -4.66 115.26 120.86 2pgc n ASN 36 Ca -0.03 -0.01 0.12 0.00 1.68 0.00 0.00 54.58 56.34 2pgc n ASN 36 Cb 0.96 0.56 0.17 0.00 -1.54 0.00 0.00 39.78 39.93 2pgc n ASN 36 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pgc n ALA 37 N -2.34 3.42 -1.38 5.41 0.00 -0.00 -4.93 120.51 120.68 2pgc n ALA 37 Ca -0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 52.92 2pgc n ALA 37 Cb 0.73 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 2pgc n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pgc n GLY 38 N 1.43 0.61 3.73 0.00 0.00 -0.98 -4.65 105.19 105.32 2pgc n GLY 38 Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2pgc n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgc s ALA 39 N -2.19 3.79 -0.41 4.61 0.00 -0.94 -4.76 121.76 121.86 2pgc s ALA 39 Ca 0.00 1.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 2pgc s ALA 39 Cb 0.00 -3.64 0.29 0.00 0.00 0.00 0.00 23.12 19.77 2pgc s ALA 39 CO 0.00 -0.84 1.99 1.63 0.00 0.00 0.00 175.76 178.54 2pgc n LYS 40 N 3.42 2.03 0.00 0.00 4.76 0.22 -4.44 118.16 124.14 2pgc n LYS 40 Ca 0.12 -2.03 0.00 0.00 -2.87 0.00 0.00 58.31 53.54 2pgc n LYS 40 Cb 0.38 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2pgc n LYS 40 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pgc n GLY 41 N -0.04 3.20 3.10 0.72 0.00 -1.26 -4.79 105.19 106.12 2pgc n GLY 41 Ca 0.39 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 2pgc n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pgc s THR 42 N -2.51 0.21 0.03 2.61 -4.23 -1.26 -2.34 115.64 108.15 2pgc s THR 42 Ca 0.00 -1.74 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 2pgc s THR 42 Cb 0.00 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 2pgc s THR 42 CO 0.00 -0.96 -0.09 -0.13 -0.54 0.00 0.00 174.62 172.89 2pgc s ARG 43 N -3.85 0.65 -0.02 3.99 1.81 -0.44 -4.98 118.95 116.10 2pgc s ARG 43 Ca 0.06 -0.61 0.00 0.00 -1.72 0.00 0.00 55.73 53.47 2pgc s ARG 43 Cb 0.07 -0.56 0.03 0.00 -0.45 0.00 0.00 34.95 34.04 2pgc s ARG 43 CO -0.10 0.13 0.02 0.12 -0.68 0.00 0.00 175.30 174.80 2pgc s PHE 44 N -0.86 0.08 0.32 -0.53 5.36 -1.26 -0.68 117.98 120.41 2pgc s PHE 44 Ca -0.03 0.11 -0.11 0.00 -0.96 0.00 0.00 56.93 55.94 2pgc s PHE 44 Cb -0.07 -0.27 0.04 0.00 -0.34 0.00 0.00 43.02 42.38 2pgc s PHE 44 CO 0.01 -0.10 0.62 0.41 -1.46 0.00 0.00 175.22 174.70 2pgc n GLY 45 N 4.18 1.26 3.63 13.12 0.00 -0.62 -1.20 105.19 125.55 2pgc n GLY 45 Ca -0.28 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 2pgc n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pgc s SER 46 N -2.69 5.08 -0.13 1.61 1.04 -0.41 -0.93 113.70 117.29 2pgc s SER 46 Ca 0.14 0.07 -0.29 0.00 0.48 0.00 0.00 55.95 56.34 2pgc s SER 46 Cb -0.04 -1.50 -0.02 0.00 0.10 0.00 0.00 66.02 64.56 2pgc s SER 46 CO 0.10 0.33 1.23 -0.63 0.98 0.00 0.00 173.24 175.25 2pgc s ILE 47 N -0.59 4.29 -0.26 -1.02 1.01 0.02 -1.02 121.20 123.63 2pgc s ILE 47 Ca 0.09 1.58 0.21 0.00 0.00 0.00 0.00 60.65 62.53 2pgc s ILE 47 Cb -0.12 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.39 2pgc s ILE 47 CO 0.02 -0.09 1.15 1.23 0.00 0.00 0.00 174.94 177.26 2pgc h GLY 48 N 9.17 0.00 -2.08 6.18 0.00 -0.50 0.21 103.07 116.04 2pgc h GLY 48 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.64 2pgc h GLY 48 CO 0.94 0.00 -0.57 -0.51 0.00 0.00 0.00 176.54 176.40 2pgc s THR 49 N -3.25 0.39 0.00 4.70 -4.23 -1.24 -4.79 115.64 107.22 2pgc s THR 49 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2pgc s THR 49 Cb 0.08 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.39 2pgc s THR 49 CO 0.77 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 2pgc n GLY 50 N -0.56 -2.12 0.08 3.99 0.00 -1.26 -3.18 105.19 102.15 2pgc n GLY 50 Ca 0.01 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.71 2pgc n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pgc n ASP 51 N 0.49 0.56 -1.47 1.61 10.43 -1.26 -1.90 116.55 125.01 2pgc n ASP 51 Ca 0.00 0.58 0.09 0.00 2.57 0.00 0.00 54.79 58.03 2pgc n ASP 51 Cb 0.00 -0.72 0.33 0.00 1.84 0.00 0.00 41.12 42.57 2pgc n ASP 51 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 2pgc n HIS 52 N -2.05 1.33 -1.62 1.24 -0.00 -1.26 -5.00 115.22 107.86 2pgc n HIS 52 Ca 0.05 -0.54 -0.52 0.00 -0.00 0.00 0.00 57.72 56.71 2pgc n HIS 52 Cb 0.34 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.99 30.07 2pgc n HIS 52 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pgc n ALA 53 N 1.09 -0.46 0.00 -1.41 0.00 -0.80 -1.24 120.51 117.69 2pgc n ALA 53 Ca 0.24 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.16 2pgc n ALA 53 Cb 0.80 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2pgc n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pgc n GLY 54 N 2.95 3.43 3.71 0.00 0.00 0.06 -5.00 105.19 110.34 2pgc n GLY 54 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2pgc n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pgc s SER 55 N -0.85 3.51 0.07 1.61 0.01 -0.37 -4.73 113.70 112.94 2pgc s SER 55 Ca 0.00 2.05 0.04 0.00 1.31 0.00 0.00 55.95 59.35 2pgc s SER 55 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2pgc s SER 55 CO 0.00 -2.71 -0.00 -0.76 0.41 0.00 0.00 173.24 170.18 2pgc s LEU 56 N -6.35 3.47 -0.01 2.44 1.43 -0.46 -0.80 118.68 118.41 2pgc s LEU 56 Ca 0.65 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2pgc s LEU 56 Cb -0.21 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2pgc s LEU 56 CO 0.57 0.20 -0.14 -0.51 0.23 0.00 0.00 176.35 176.71 2pgc s ILE 57 N -1.25 1.07 -0.08 -0.59 2.07 -0.10 -1.32 121.20 121.00 2pgc s ILE 57 Ca 0.24 -0.60 0.03 0.00 -1.41 0.00 0.00 60.65 58.92 2pgc s ILE 57 Cb -0.12 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.59 2pgc s ILE 57 CO 0.16 0.29 -0.18 0.12 -1.91 0.00 0.00 174.94 173.42 2pgc s PHE 58 N -0.34 1.99 -0.08 3.50 5.36 0.52 -1.59 117.98 127.33 2pgc s PHE 58 Ca 0.05 -0.78 0.04 0.00 -0.96 0.00 0.00 56.93 55.28 2pgc s PHE 58 Cb -0.05 -1.38 -0.00 0.00 -0.34 0.00 0.00 43.02 41.25 2pgc s PHE 58 CO -0.00 -0.34 -0.23 0.42 -1.46 0.00 0.00 175.22 173.60 2pgc s ILE 59 N 0.50 1.94 0.01 3.12 1.01 0.14 -1.15 121.20 126.78 2pgc s ILE 59 Ca -0.17 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.59 2pgc s ILE 59 Cb -0.17 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 2pgc s ILE 59 CO 0.06 0.54 -0.22 -1.10 0.00 0.00 0.00 174.94 174.22 2pgc s GLN 60 N 0.24 1.62 -0.14 2.79 -0.21 -0.03 -1.33 119.66 122.60 2pgc s GLN 60 Ca -0.14 -0.88 -0.00 0.00 0.02 0.00 0.00 55.36 54.35 2pgc s GLN 60 Cb -0.16 -1.66 -0.01 0.00 1.00 0.00 0.00 33.01 32.17 2pgc s GLN 60 CO 0.07 0.44 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.48 2pgc s PHE 61 N -0.66 2.80 0.03 0.91 0.08 -0.99 -0.86 117.98 119.30 2pgc s PHE 61 Ca 0.08 -0.82 0.03 0.00 0.12 0.00 0.00 56.93 56.35 2pgc s PHE 61 Cb -0.09 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2pgc s PHE 61 CO 0.01 -0.34 -0.10 0.71 -0.10 0.00 0.00 175.22 175.40 2pgc s TYR 62 N 0.59 0.87 -0.01 0.36 2.02 -0.23 -0.61 117.35 120.33 2pgc s TYR 62 Ca -0.08 -0.34 0.15 0.00 -0.37 0.00 0.00 57.07 56.42 2pgc s TYR 62 Cb -0.16 -0.52 0.20 0.00 -0.40 0.00 0.00 41.96 41.08 2pgc s TYR 62 CO 0.03 -0.01 1.50 -0.44 -1.57 0.00 0.00 175.55 175.06 2pgc h ASP 63 N 5.03 0.00 -5.13 2.29 3.32 -1.85 0.14 116.42 120.21 2pgc h ASP 63 Ca -0.35 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 2pgc h ASP 63 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 2pgc h ASP 63 CO 0.44 0.55 -0.31 1.51 -1.72 0.00 0.00 179.24 179.71 2pgc s ASP 64 N -6.50 0.04 0.54 6.45 1.47 -1.26 -4.47 116.67 112.92 2pgc s ASP 64 Ca 0.02 -0.54 0.34 0.00 1.18 0.00 0.00 52.55 53.55 2pgc s ASP 64 Cb 0.09 0.36 1.39 0.00 -0.34 0.00 0.00 42.92 44.41 2pgc s ASP 64 CO 0.74 -0.73 1.98 -0.07 0.68 0.00 0.00 175.17 177.78 2pgc h LEU 65 N 2.78 0.00 -1.24 2.11 3.38 -1.97 -2.36 115.31 118.00 2pgc h LEU 65 Ca -0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2pgc h LEU 65 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2pgc h LEU 65 CO 0.53 0.00 0.14 0.74 0.09 0.00 0.00 178.44 179.94 2pgc h THR 66 N 0.00 1.19 -0.61 0.22 2.02 -1.99 -0.95 112.91 112.79 2pgc h THR 66 Ca 0.00 -0.64 0.05 0.00 0.77 0.00 0.00 66.41 66.60 2pgc h THR 66 Cb 0.48 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 2pgc h THR 66 CO 0.00 0.24 0.32 1.23 0.37 0.00 0.00 175.52 177.68 2pgc h GLY 67 N 0.84 0.87 1.06 2.16 0.00 -1.69 -1.89 103.07 104.42 2pgc h GLY 67 Ca 0.15 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2pgc h GLY 67 CO -0.01 0.14 0.07 -1.82 0.00 0.00 0.00 176.54 174.92 2pgc h TYR 68 N 0.61 1.14 -0.65 5.60 3.20 -1.42 -1.68 116.97 123.76 2pgc h TYR 68 Ca 0.27 -0.17 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2pgc h TYR 68 Cb 0.17 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 2pgc h TYR 68 CO -0.09 0.98 0.43 0.37 -1.64 0.00 0.00 178.16 178.21 2pgc h GLN 69 N 0.97 0.77 -0.39 1.82 4.15 -0.75 0.48 115.11 122.17 2pgc h GLN 69 Ca 0.19 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.48 2pgc h GLN 69 Cb 0.48 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2pgc h GLN 69 CO 0.02 0.51 -0.07 0.87 -1.93 0.00 0.00 178.83 178.23 2pgc h LYS 70 N 0.79 0.73 -0.82 1.69 1.57 -1.04 -2.62 116.57 116.87 2pgc h LYS 70 Ca 0.26 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2pgc h LYS 70 Cb 0.05 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 2pgc h LYS 70 CO -0.07 0.86 0.51 0.00 -0.57 0.00 0.00 179.45 180.18 2pgc h ALA 71 N 0.85 1.11 -0.81 3.86 0.00 -0.21 0.34 119.26 124.39 2pgc h ALA 71 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pgc h ALA 71 Cb 0.58 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2pgc h ALA 71 CO 0.03 0.27 0.50 -0.07 0.00 0.00 0.00 179.25 179.98 2pgc h LEU 72 N 0.95 0.96 -0.63 0.00 3.38 -0.89 -1.48 115.31 117.60 2pgc h LEU 72 Ca 0.35 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 2pgc h LEU 72 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2pgc h LEU 72 CO -0.16 0.73 -0.27 -0.33 0.09 0.00 0.00 178.44 178.51 2pgc h GLU 73 N 1.12 0.00 -0.10 1.13 5.08 -0.88 -2.86 114.58 118.07 2pgc h GLU 73 Ca 0.29 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 2pgc h GLU 73 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2pgc h GLU 73 CO -0.06 0.27 -0.55 0.82 -1.00 0.00 0.00 179.01 178.49 2pgc h ILE 74 N 0.00 1.36 0.34 3.13 1.08 -0.28 -3.32 117.51 119.81 2pgc h ILE 74 Ca -0.00 -1.85 -0.00 0.00 -0.39 0.00 0.00 64.86 62.61 2pgc h ILE 74 Cb 0.97 1.90 -0.02 0.00 -3.07 0.00 0.00 36.82 36.60 2pgc h ILE 74 CO 0.03 0.55 -0.31 1.56 -0.69 0.00 0.00 178.15 179.30 2pgc h GLN 75 N 0.23 -0.64 -0.75 2.37 4.20 -1.06 -2.10 115.11 117.35 2pgc h GLN 75 Ca 0.00 0.04 0.21 0.00 0.06 0.00 0.00 58.65 58.96 2pgc h GLN 75 Cb 1.04 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 2pgc h GLN 75 CO 0.09 -0.43 0.53 0.66 -0.67 0.00 0.00 178.83 179.01 2pgc h SER 76 N -0.67 0.06 0.16 1.46 4.64 -1.64 -0.81 113.55 116.76 2pgc h SER 76 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2pgc h SER 76 Cb 0.60 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2pgc h SER 76 CO -0.05 0.03 -0.70 0.29 -0.87 0.00 0.00 176.83 175.53 2pgc n LYS 77 N -4.34 0.27 -2.73 4.77 4.01 -1.14 -4.97 118.16 114.03 2pgc n LYS 77 Ca 0.15 -0.20 -0.42 0.00 -0.51 0.00 0.00 58.31 57.33 2pgc n LYS 77 Cb 0.78 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.78 2pgc n LYS 77 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2pgc s SER 78 N -2.87 7.29 0.02 4.39 0.15 -0.31 -4.95 113.70 117.43 2pgc s SER 78 Ca 0.12 1.57 -0.22 0.00 0.70 0.00 0.00 55.95 58.12 2pgc s SER 78 Cb 0.17 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.77 2pgc s SER 78 CO 0.74 -0.33 1.34 0.28 1.20 0.00 0.00 173.24 176.47 2pgc h SER 79 N 6.93 0.26 -0.77 5.45 0.02 -1.91 -2.27 113.55 121.26 2pgc h SER 79 Ca -0.37 -0.46 0.13 0.00 -0.84 0.00 0.00 61.79 60.25 2pgc h SER 79 Cb 1.19 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.57 2pgc h SER 79 CO 0.79 0.67 0.35 0.58 -1.14 0.00 0.00 176.83 178.08 2pgc h VAL 80 N -0.15 0.72 -0.49 2.27 2.07 -1.92 0.81 116.25 119.58 2pgc h VAL 80 Ca 0.02 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 2pgc h VAL 80 Cb 0.58 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2pgc h VAL 80 CO 0.02 0.10 -0.08 0.15 0.02 0.00 0.00 177.57 177.78 2pgc h PHE 81 N 0.53 1.02 -0.46 1.57 3.57 -1.87 -2.69 116.94 118.61 2pgc h PHE 81 Ca 0.41 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2pgc h PHE 81 Cb 0.57 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2pgc h PHE 81 CO -0.13 0.98 0.29 0.87 -2.23 0.00 0.00 178.31 178.08 2pgc h LYS 82 N 0.77 0.61 -0.48 1.11 6.56 -0.67 -2.93 116.57 121.54 2pgc h LYS 82 Ca 0.13 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.71 2pgc h LYS 82 Cb 0.62 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 32.11 2pgc h LYS 82 CO 0.04 0.43 0.23 1.49 -2.06 0.00 0.00 179.45 179.58 2pgc h GLU 83 N 0.61 0.45 0.00 3.15 4.81 -0.81 0.45 114.58 123.23 2pgc h GLU 83 Ca 0.17 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2pgc h GLU 83 Cb -0.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2pgc h GLU 83 CO -0.03 0.30 0.00 -0.89 -0.73 0.00 0.00 179.01 177.65 2pgc n ILE 84 N -4.91 0.00 0.00 2.32 5.41 -1.02 -0.98 119.36 120.18 2pgc n ILE 84 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 2pgc n ILE 84 Cb 0.13 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.75 2pgc n ILE 84 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2pgc n ASP 86 N -0.09 0.00 -0.24 4.38 5.75 0.15 -4.04 116.55 122.46 2pgc n ASP 86 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 2pgc n ASP 86 Cb 0.00 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.41 2pgc n ASP 86 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2pgc h SER 87 N 0.00 0.74 -0.01 -1.12 4.64 -1.30 -3.46 113.55 113.05 2pgc h SER 87 Ca 0.00 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2pgc h SER 87 Cb 0.00 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2pgc h SER 87 CO 0.00 0.45 -0.00 0.61 -0.87 0.00 0.00 176.83 177.02 2pgc n GLY 88 N -1.43 0.29 0.17 -0.77 0.00 -1.26 -4.87 105.19 97.32 2pgc n GLY 88 Ca 0.13 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2pgc n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pgc n LYS 89 N -1.27 1.65 -4.99 1.61 0.00 -1.26 -4.90 118.16 108.99 2pgc n LYS 89 Ca -0.00 -0.37 -0.31 0.00 -0.00 0.00 0.00 58.31 57.63 2pgc n LYS 89 Cb 0.22 -1.28 -0.17 0.00 -0.00 0.00 0.00 35.03 33.80 2pgc n LYS 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pgc s ALA 90 N -2.28 2.04 -0.31 0.58 0.00 -1.26 -2.34 121.76 118.18 2pgc s ALA 90 Ca 0.10 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2pgc s ALA 90 Cb 0.13 -0.81 0.09 0.00 0.00 0.00 0.00 23.12 22.53 2pgc s ALA 90 CO 0.56 0.19 0.05 1.21 0.00 0.00 0.00 175.76 177.77 2pgc s ASN 91 N 0.51 4.38 -0.00 0.00 3.04 -0.12 -4.98 114.94 117.76 2pgc s ASN 91 Ca -0.16 -1.84 -0.30 0.00 0.04 0.00 0.00 52.86 50.61 2pgc s ASN 91 Cb -0.17 -1.29 -0.07 0.00 -1.54 0.00 0.00 41.25 38.18 2pgc s ASN 91 CO 0.06 -0.37 1.64 -0.63 -3.04 0.00 0.00 177.10 174.75 2pgc s ILE 92 N 1.23 3.39 0.00 -5.21 1.01 -1.26 -1.33 121.20 119.02 2pgc s ILE 92 Ca 0.08 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2pgc s ILE 92 Cb -0.18 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2pgc s ILE 92 CO -0.14 -0.03 0.31 0.00 0.00 0.00 0.00 174.94 175.07 2pgc n TYR 93 N 6.45 0.00 -3.70 3.97 4.11 -0.30 -4.97 117.16 122.72 2pgc n TYR 93 Ca 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.95 2pgc n TYR 93 Cb 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.66 2pgc n TYR 93 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 2pgc s LEU 94 N -0.39 -0.01 -0.14 -3.48 2.96 -1.10 -5.01 118.68 111.51 2pgc s LEU 94 Ca 0.00 0.99 -0.05 0.00 -0.22 0.00 0.00 54.13 54.85 2pgc s LEU 94 Cb 0.00 1.62 0.07 0.00 0.50 0.00 0.00 46.19 48.37 2pgc s LEU 94 CO 0.00 -0.18 0.29 -0.60 -1.32 0.00 0.00 176.35 174.54 2pgc s ARG 95 N 0.72 0.18 0.12 1.98 3.52 -1.26 -1.09 118.95 123.12 2pgc s ARG 95 Ca -0.04 0.78 0.03 0.00 -0.13 0.00 0.00 55.73 56.38 2pgc s ARG 95 Cb -0.05 0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.31 2pgc s ARG 95 CO -0.05 -0.27 -0.08 -0.80 -0.81 0.00 0.00 175.30 173.29 2pgc s ASN 96 N 2.39 1.42 -0.08 -2.12 0.01 -0.19 -4.90 114.94 111.48 2pgc s ASN 96 Ca 0.00 -1.02 0.01 0.00 -0.71 0.00 0.00 52.86 51.15 2pgc s ASN 96 Cb -0.12 0.05 -0.02 0.00 0.41 0.00 0.00 41.25 41.57 2pgc s ASN 96 CO -0.09 -0.42 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.34 2pgc s ILE 97 N -3.50 3.30 0.06 0.60 1.01 -1.26 -0.77 121.20 120.65 2pgc s ILE 97 Ca 0.15 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.26 2pgc s ILE 97 Cb 0.04 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2pgc s ILE 97 CO -0.02 0.57 -0.20 -0.55 0.00 0.00 0.00 174.94 174.74 2pgc s SER 98 N -0.44 2.38 0.58 3.58 0.15 0.11 -0.32 113.70 119.74 2pgc s SER 98 Ca 0.06 -0.57 -0.15 0.00 0.70 0.00 0.00 55.95 55.99 2pgc s SER 98 Cb -0.12 -0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 63.97 2pgc s SER 98 CO 0.02 0.11 1.03 0.42 1.20 0.00 0.00 173.24 176.02 2pgc s THR 99 N -0.93 4.18 -0.23 6.45 -4.23 -0.29 -0.49 115.64 120.10 2pgc s THR 99 Ca 0.06 0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 61.53 2pgc s THR 99 Cb -0.09 -3.55 0.06 0.00 1.34 0.00 0.00 72.50 70.26 2pgc s THR 99 CO 0.02 -0.68 -0.01 -0.55 -0.54 0.00 0.00 174.62 172.87 2pgc s SER 100 N -3.16 3.58 0.16 3.99 0.15 0.69 -3.75 113.70 115.37 2pgc s SER 100 Ca 0.60 -1.13 -0.06 0.00 0.70 0.00 0.00 55.95 56.06 2pgc s SER 100 Cb -0.13 -0.97 -0.06 0.00 -1.71 0.00 0.00 66.02 63.15 2pgc s SER 100 CO 0.39 -0.28 0.42 -0.76 1.20 0.00 0.00 173.24 174.21 2pgc s LEU 101 N 1.55 4.24 0.04 3.45 1.43 0.13 -1.61 118.68 127.92 2pgc s LEU 101 Ca -0.02 0.68 -0.35 0.00 -1.03 0.00 0.00 54.13 53.41 2pgc s LEU 101 Cb -0.18 -3.39 -0.14 0.00 0.03 0.00 0.00 46.19 42.51 2pgc s LEU 101 CO -0.08 0.03 1.64 -2.65 0.23 0.00 0.00 176.35 175.51 2pgc n PRO 102 N 0.07 1.91 -4.33 1.29 -0.02 -1.26 -4.53 135.00 128.13 2pgc n PRO 102 Ca -0.02 0.69 -0.21 0.00 -2.02 0.00 0.00 63.50 61.94 2pgc n PRO 102 Cb 0.52 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 2pgc n PRO 102 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2pgc s THR 103 N 1.97 1.79 -1.29 3.45 -4.23 -1.26 -5.06 115.64 111.00 2pgc s THR 103 Ca 0.85 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 2pgc s THR 103 Cb -0.76 -1.84 0.15 0.00 1.34 0.00 0.00 72.50 71.39 2pgc s THR 103 CO 0.46 -0.33 1.85 0.29 -0.54 0.00 0.00 174.62 176.35 2pgc n LYS 104 N 0.27 3.47 -3.92 3.99 5.02 -1.26 -4.91 118.16 120.82 2pgc n LYS 104 Ca -0.13 -3.45 -0.15 0.00 -2.02 0.00 0.00 58.31 52.56 2pgc n LYS 104 Cb 0.57 -3.01 -0.15 0.00 -0.02 0.00 0.00 35.03 32.42 2pgc n LYS 104 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2pgc s PHE 105 N 1.05 0.21 -0.64 2.13 2.19 -1.26 -4.84 117.98 116.82 2pgc s PHE 105 Ca 0.41 0.01 -0.27 0.00 0.33 0.00 0.00 56.93 57.41 2pgc s PHE 105 Cb 0.08 -0.27 0.03 0.00 -1.31 0.00 0.00 43.02 41.56 2pgc s PHE 105 CO -0.01 -0.07 1.19 -2.00 1.83 0.00 0.00 175.22 176.16 2pgc s GLU 106 N 0.62 3.36 0.30 10.12 2.12 -1.26 -4.99 118.70 128.96 2pgc s GLU 106 Ca -0.06 -0.03 -0.29 0.00 0.36 0.00 0.00 54.97 54.95 2pgc s GLU 106 Cb -0.09 -4.09 -0.10 0.00 0.26 0.00 0.00 34.13 30.12 2pgc s GLU 106 CO -0.01 -1.84 1.19 -0.65 -0.54 0.00 0.00 175.26 173.41 2pgc s GLN 107 N 5.11 4.51 0.13 4.30 -1.52 -1.26 -4.87 119.66 126.07 2pgc s GLN 107 Ca 0.38 1.98 0.04 0.00 -1.95 0.00 0.00 55.36 55.81 2pgc s GLN 107 Cb -0.09 -3.14 -0.04 0.00 -0.22 0.00 0.00 33.01 29.53 2pgc s GLN 107 CO 0.20 0.03 0.14 0.45 -0.25 0.00 0.00 175.29 175.87 2pgc s SER 108 N -0.66 5.68 0.00 5.90 0.15 -0.53 -5.02 113.70 119.20 2pgc s SER 108 Ca 0.47 -0.04 0.25 0.00 0.70 0.00 0.00 55.95 57.33 2pgc s SER 108 Cb -0.35 -1.54 0.54 0.00 -1.71 0.00 0.00 66.02 62.95 2pgc s SER 108 CO 0.46 0.10 1.43 0.00 1.20 0.00 0.00 173.24 176.43 2pgc n TYR 109 N -0.12 0.00 -1.77 3.44 4.11 -1.26 -4.76 117.16 116.81 2pgc n TYR 109 Ca -0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.40 2pgc n TYR 109 Cb 0.54 -0.19 -0.03 0.00 -0.00 0.00 0.00 39.34 39.66 2pgc n TYR 109 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 2pgc s GLU 110 N -2.83 4.15 0.03 -3.48 2.12 -1.26 -4.92 118.70 112.51 2pgc s GLU 110 Ca 0.15 2.51 -0.30 0.00 0.36 0.00 0.00 54.97 57.69 2pgc s GLU 110 Cb 0.18 -3.97 -0.08 0.00 0.26 0.00 0.00 34.13 30.52 2pgc s GLU 110 CO 0.65 -0.89 1.86 -3.38 -0.54 0.00 0.00 175.26 172.95 2pgc s HIS 111 N 3.88 1.63 0.69 5.30 0.00 -1.26 -4.93 115.29 120.60 2pgc s HIS 111 Ca 0.83 -0.20 -0.13 0.00 -3.00 0.00 0.00 55.06 52.56 2pgc s HIS 111 Cb -0.41 -4.14 0.01 0.00 -4.00 0.00 0.00 32.58 24.04 2pgc s HIS 111 CO 0.37 -4.97 1.08 -1.25 -1.00 0.00 0.00 174.74 168.97 2pgc s PRO 112 N 4.02 2.76 -0.10 -0.38 0.04 -1.26 -4.95 135.00 135.12 2pgc s PRO 112 Ca 0.83 1.17 0.16 0.00 0.04 0.00 0.00 61.00 63.20 2pgc s PRO 112 Cb -0.41 -1.96 -0.23 0.00 0.04 0.00 0.00 34.50 31.94 2pgc s PRO 112 CO 0.37 -1.26 0.39 1.63 0.04 0.00 0.00 177.00 178.18 2pgc n LYS 113 N -2.89 0.66 -4.22 4.56 4.01 -0.45 -4.79 118.16 115.04 2pgc n LYS 113 Ca 0.09 0.11 -0.18 0.00 -0.51 0.00 0.00 58.31 57.82 2pgc n LYS 113 Cb 0.53 -1.65 -0.12 0.00 -0.51 0.00 0.00 35.03 33.28 2pgc n LYS 113 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2pgc s TYR 114 N -2.65 1.10 -0.09 2.13 2.02 -0.74 -1.18 117.35 117.94 2pgc s TYR 114 Ca -0.07 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 2pgc s TYR 114 Cb 0.08 -0.64 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 2pgc s TYR 114 CO 0.83 0.02 -0.19 0.42 -1.57 0.00 0.00 175.55 175.06 2pgc s ILE 115 N -1.08 1.67 -0.26 2.71 1.01 -0.19 -0.74 121.20 124.32 2pgc s ILE 115 Ca -0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 2pgc s ILE 115 Cb -0.09 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 2pgc s ILE 115 CO 0.01 0.47 0.16 -0.69 0.00 0.00 0.00 174.94 174.90 2pgc s VAL 116 N 0.49 5.18 -0.18 2.92 1.01 -0.64 0.05 120.40 129.23 2pgc s VAL 116 Ca -0.17 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2pgc s VAL 116 Cb -0.17 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2pgc s VAL 116 CO 0.07 0.30 0.08 -0.76 0.00 0.00 0.00 175.10 174.78 2pgc s LEU 117 N 1.47 3.92 -0.03 3.92 1.43 -0.00 -1.62 118.68 127.76 2pgc s LEU 117 Ca 0.07 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2pgc s LEU 117 Cb -0.15 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 2pgc s LEU 117 CO 0.08 0.21 -0.13 -0.89 0.23 0.00 0.00 176.35 175.85 2pgc s THR 118 N 0.19 1.05 -0.02 5.49 2.01 0.02 -1.17 115.64 123.21 2pgc s THR 118 Ca 0.05 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2pgc s THR 118 Cb -0.12 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2pgc s THR 118 CO 0.00 0.31 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.50 2pgc s ARG 119 N 0.06 1.20 0.03 4.92 3.52 -1.26 0.07 118.95 127.49 2pgc s ARG 119 Ca -0.02 -0.50 -0.02 0.00 -0.13 0.00 0.00 55.73 55.06 2pgc s ARG 119 Cb -0.09 -1.14 -0.02 0.00 -1.56 0.00 0.00 34.95 32.14 2pgc s ARG 119 CO 0.01 0.28 0.01 0.00 -0.81 0.00 0.00 175.30 174.80 2pgc s ALA 120 N -0.25 0.15 -0.16 6.12 0.00 -0.67 -0.98 121.76 125.97 2pgc s ALA 120 Ca 0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 2pgc s ALA 120 Cb -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2pgc s ALA 120 CO -0.00 -0.27 0.09 -2.00 0.00 0.00 0.00 175.76 173.59 2pgc s GLU 121 N -2.47 3.80 -0.01 0.00 2.12 0.01 -0.76 118.70 121.38 2pgc s GLU 121 Ca -0.06 -0.26 -0.28 0.00 0.36 0.00 0.00 54.97 54.73 2pgc s GLU 121 Cb -0.02 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 31.21 2pgc s GLU 121 CO -0.04 0.46 0.63 0.00 -0.54 0.00 0.00 175.26 175.76 2pgc s ALA 122 N -0.13 -1.63 0.39 6.30 0.00 -1.26 -1.13 121.76 124.30 2pgc s ALA 122 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2pgc s ALA 122 Cb -0.12 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2pgc s ALA 122 CO 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 175.76 175.34 2pgc n ALA 123 N 0.73 0.00 0.00 0.00 0.00 -1.26 -4.93 120.51 115.04 2pgc n ALA 123 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2pgc n ALA 123 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2pgc n ALA 123 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pgc n SER 125 N 0.00 0.00 -0.86 0.00 3.41 -1.26 -3.88 113.62 111.03 2pgc n SER 125 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2pgc n SER 125 Cb 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.15 2pgc n SER 125 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pgc n ASP 126 N 0.00 2.49 -0.26 4.04 8.00 -1.26 -4.53 116.55 125.03 2pgc n ASP 126 Ca 0.00 -2.03 0.06 0.00 0.71 0.00 0.00 54.79 53.53 2pgc n ASP 126 Cb 0.00 -0.32 0.20 0.00 -0.02 0.00 0.00 41.12 40.98 2pgc n ASP 126 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2pgc h LYS 127 N 2.64 0.45 -0.08 -1.24 6.56 -1.96 -1.23 116.57 121.70 2pgc h LYS 127 Ca 0.00 -0.03 -0.07 0.00 -1.06 0.00 0.00 60.65 59.49 2pgc h LYS 127 Cb 0.64 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 2pgc h LYS 127 CO 0.01 0.30 -0.22 -0.44 -2.06 0.00 0.00 179.45 177.04 2pgc h ASP 128 N 0.46 0.34 -0.79 0.86 3.32 -1.96 -1.95 116.42 116.70 2pgc h ASP 128 Ca 0.43 -0.60 0.11 0.00 0.02 0.00 0.00 57.03 56.99 2pgc h ASP 128 Cb 0.65 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.02 2pgc h ASP 128 CO -0.40 0.87 0.41 0.11 -1.72 0.00 0.00 179.24 178.51 2pgc h LYS 129 N -0.18 0.63 0.34 3.56 1.57 -1.83 -0.10 116.57 120.56 2pgc h LYS 129 Ca -0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2pgc h LYS 129 Cb 0.84 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2pgc h LYS 129 CO 0.05 0.42 -0.25 0.35 -0.57 0.00 0.00 179.45 179.45 2pgc h PHE 130 N 0.65 -0.65 -0.42 -1.35 3.04 -1.09 -1.65 116.94 115.48 2pgc h PHE 130 Ca 0.40 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.35 2pgc h PHE 130 Cb 0.47 0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 2pgc h PHE 130 CO -0.09 -0.37 0.26 1.25 -2.02 0.00 0.00 178.31 177.33 2pgc h LEU 131 N -0.58 0.50 0.04 0.59 5.85 -0.92 -1.60 115.31 119.19 2pgc h LEU 131 Ca -0.03 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2pgc h LEU 131 Cb 0.50 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2pgc h LEU 131 CO 0.00 0.38 -0.08 0.78 -0.34 0.00 0.00 178.44 179.18 2pgc h ASN 132 N 0.58 -0.23 -0.38 1.25 4.21 -0.67 -1.38 115.58 118.95 2pgc h ASN 132 Ca 0.15 0.03 0.02 0.00 1.21 0.00 0.00 56.30 57.71 2pgc h ASN 132 Cb -0.03 0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.24 2pgc h ASN 132 CO -0.03 -0.13 0.21 0.00 -1.29 0.00 0.00 177.43 176.19 2pgc h ILE 134 N 0.43 1.16 0.00 0.00 1.08 -1.23 -0.85 117.51 118.10 2pgc h ILE 134 Ca 0.15 -0.42 -0.15 0.00 -0.39 0.00 0.00 64.86 64.05 2pgc h ILE 134 Cb 0.02 -0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 33.58 2pgc h ILE 134 CO -0.08 0.22 -0.70 0.78 -0.69 0.00 0.00 178.15 177.68 2pgc h ASN 135 N 1.23 0.00 1.22 1.72 2.35 -0.82 -2.70 115.58 118.58 2pgc h ASN 135 Ca 0.39 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.11 2pgc h ASN 135 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2pgc h ASN 135 CO -0.13 0.70 -0.16 0.44 -1.65 0.00 0.00 177.43 176.63 2pgc h ASP 136 N 0.00 0.00 -0.47 5.81 3.32 0.23 -3.05 116.42 122.26 2pgc h ASP 136 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2pgc h ASP 136 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2pgc h ASP 136 CO 0.09 0.16 0.00 0.35 -1.72 0.00 0.00 179.24 178.12 2pgc n THR 137 N -3.24 1.31 -0.32 0.35 -2.24 -0.40 -4.62 114.28 105.12 2pgc n THR 137 Ca 0.01 -1.15 0.14 0.00 -2.27 0.00 0.00 64.05 60.78 2pgc n THR 137 Cb 0.45 0.34 0.37 0.00 -2.10 0.00 0.00 70.33 69.39 2pgc n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pgc h ALA 138 N 2.83 1.82 -0.14 6.98 0.00 -1.37 -1.76 119.26 127.62 2pgc h ALA 138 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2pgc h ALA 138 Cb 1.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2pgc h ALA 138 CO 0.07 -0.15 -0.44 0.66 0.00 0.00 0.00 179.25 179.39 2pgc h SER 139 N 0.69 0.35 -0.86 0.00 4.64 -1.83 -2.41 113.55 114.13 2pgc h SER 139 Ca 0.54 -0.16 0.18 0.00 -0.47 0.00 0.00 61.79 61.88 2pgc h SER 139 Cb 0.93 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 62.81 2pgc h SER 139 CO -0.30 0.75 0.39 0.00 -0.87 0.00 0.00 176.83 176.80 2pgc h PHE 141 N 0.48 -0.08 -0.51 0.00 0.04 -1.56 -3.19 116.94 112.12 2pgc h PHE 141 Ca 0.51 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.27 2pgc h PHE 141 Cb 0.86 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 2pgc h PHE 141 CO -0.13 0.34 0.28 -0.22 -0.60 0.00 0.00 178.31 177.98 2pgc h LYS 142 N -0.97 0.70 -0.68 1.51 1.63 -1.31 0.65 116.57 118.09 2pgc h LYS 142 Ca -0.01 -0.08 0.14 0.00 -0.85 0.00 0.00 60.65 59.86 2pgc h LYS 142 Cb 0.46 -0.14 -0.10 0.00 -0.60 0.00 0.00 32.23 31.85 2pgc h LYS 142 CO 0.02 0.54 0.13 -0.44 -3.45 0.00 0.00 179.45 176.25 2pgc h ASP 143 N 0.67 -0.05 -0.64 4.20 3.32 -0.77 -2.64 116.42 120.51 2pgc h ASP 143 Ca 0.18 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2pgc h ASP 143 Cb 0.04 0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2pgc h ASP 143 CO -0.03 -0.04 0.00 0.59 -1.72 0.00 0.00 179.24 178.04 2pgc n ASN 144 N -5.18 3.63 0.00 6.45 3.02 -0.90 -4.92 115.26 117.37 2pgc n ASN 144 Ca 0.12 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2pgc n ASN 144 Cb 0.41 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2pgc n ASN 144 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pgc n GLY 145 N 1.44 0.94 3.70 7.41 0.00 -0.81 -4.55 105.19 113.31 2pgc n GLY 145 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2pgc n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgc n ALA 146 N -0.55 1.35 -0.12 4.61 0.00 0.16 -4.45 120.51 121.51 2pgc n ALA 146 Ca 0.00 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.58 2pgc n ALA 146 Cb 0.00 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.10 2pgc n ALA 146 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pgc n LEU 147 N 0.90 1.93 -4.19 0.00 4.77 0.84 -4.52 117.00 116.73 2pgc n LEU 147 Ca 0.05 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 2pgc n LEU 147 Cb 0.36 -0.83 -0.12 0.00 -2.33 0.00 0.00 43.42 40.50 2pgc n LEU 147 CO 0.62 0.27 -0.45 0.42 -1.33 0.00 0.00 177.39 176.92 2pgc s THR 148 N -2.56 1.17 -0.06 -5.08 -4.23 -1.21 -1.46 115.64 102.21 2pgc s THR 148 Ca -0.34 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2pgc s THR 148 Cb 0.10 -1.23 0.04 0.00 1.34 0.00 0.00 72.50 72.75 2pgc s THR 148 CO 0.47 -0.30 0.11 -0.22 -0.54 0.00 0.00 174.62 174.14 2pgc s LEU 149 N -2.00 0.56 0.09 4.79 0.20 -1.26 -0.63 118.68 120.44 2pgc s LEU 149 Ca 0.02 0.22 0.07 0.00 0.69 0.00 0.00 54.13 55.12 2pgc s LEU 149 Cb -0.08 0.17 -0.03 0.00 -0.43 0.00 0.00 46.19 45.82 2pgc s LEU 149 CO 0.02 -0.18 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.60 2pgc s ARG 150 N 1.51 0.98 -0.20 1.98 1.81 0.08 -4.95 118.95 120.16 2pgc s ARG 150 Ca -0.05 -1.06 -0.15 0.00 -1.72 0.00 0.00 55.73 52.75 2pgc s ARG 150 Cb -0.12 -1.12 0.06 0.00 -0.45 0.00 0.00 34.95 33.32 2pgc s ARG 150 CO -0.05 0.25 0.51 0.12 -0.68 0.00 0.00 175.30 175.46 2pgc s PHE 151 N -1.22 -0.66 0.00 -0.53 5.36 -1.26 -1.01 117.98 118.65 2pgc s PHE 151 Ca 0.02 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 2pgc s PHE 151 Cb -0.10 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 2pgc s PHE 151 CO 0.03 -0.34 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 2pgc n GLY 152 N 3.54 1.18 3.28 13.12 0.00 -0.80 0.22 105.19 125.75 2pgc n GLY 152 Ca -0.18 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 2pgc n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pgc s ASN 153 N 1.49 2.70 -0.05 1.61 -0.87 -1.25 -0.10 114.94 118.48 2pgc s ASN 153 Ca 0.00 -0.56 -0.30 0.00 -1.57 0.00 0.00 52.86 50.43 2pgc s ASN 153 Cb 0.00 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.25 40.96 2pgc s ASN 153 CO 0.00 0.18 1.45 -0.76 -2.57 0.00 0.00 177.10 175.40 2pgc s LEU 154 N -1.29 4.29 0.17 0.60 1.43 -0.34 -1.13 118.68 122.42 2pgc s LEU 154 Ca 0.09 2.07 0.23 0.00 -1.03 0.00 0.00 54.13 55.49 2pgc s LEU 154 Cb -0.09 -3.55 0.22 0.00 0.03 0.00 0.00 46.19 42.80 2pgc s LEU 154 CO 0.02 -0.79 1.24 -0.07 0.23 0.00 0.00 176.35 176.98 2pgc h LEU 155 N 9.19 0.00 -8.54 1.79 3.38 -1.02 0.79 115.31 120.91 2pgc h LEU 155 Ca -0.36 -0.12 -0.26 0.00 0.09 0.00 0.00 57.88 57.23 2pgc h LEU 155 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 2pgc h LEU 155 CO 0.93 0.06 -0.69 0.42 0.09 0.00 0.00 178.44 179.25 2pgc s THR 156 N -3.24 0.75 0.00 0.22 -4.23 -1.20 -4.85 115.64 103.08 2pgc s THR 156 Ca 0.04 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2pgc s THR 156 Cb 0.11 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 72.11 2pgc s THR 156 CO 0.74 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2pgc n GLY 157 N -0.13 -2.08 0.24 3.99 0.00 -1.26 -3.89 105.19 102.06 2pgc n GLY 157 Ca -0.10 -1.90 0.16 0.00 0.00 0.00 0.00 46.02 44.18 2pgc n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pgc h SER 158 N 0.00 0.00 -0.52 1.61 0.02 -2.00 -2.34 113.55 110.33 2pgc h SER 158 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2pgc h SER 158 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 2pgc h SER 158 CO 0.00 0.00 0.13 0.59 -1.14 0.00 0.00 176.83 176.41 2pgc n ASN 159 N -2.89 3.33 -4.65 3.07 4.13 -1.26 -5.02 115.26 111.96 2pgc n ASN 159 Ca 0.01 -3.52 -0.46 0.00 1.68 0.00 0.00 54.58 52.29 2pgc n ASN 159 Cb 0.29 -0.67 -0.03 0.00 -1.54 0.00 0.00 39.78 37.82 2pgc n ASN 159 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2pgc n VAL 160 N -0.87 0.89 0.00 2.41 3.14 -0.88 -1.78 118.33 121.24 2pgc n VAL 160 Ca 0.37 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 2pgc n VAL 160 Cb 1.19 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 2pgc n VAL 160 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pgc n GLY 161 N 2.19 3.09 3.64 7.55 0.00 0.27 -4.97 105.19 116.95 2pgc n GLY 161 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2pgc n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pgc n ASN 162 N 0.03 1.41 -4.83 1.61 5.03 -0.73 -4.65 115.26 113.13 2pgc n ASN 162 Ca 0.00 0.95 -0.33 0.00 0.87 0.00 0.00 54.58 56.07 2pgc n ASN 162 Cb 0.00 -1.41 -0.04 0.00 -1.02 0.00 0.00 39.78 37.31 2pgc n ASN 162 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2pgc s TYR 163 N -1.37 3.34 -0.02 3.10 1.51 0.06 -1.19 117.35 122.79 2pgc s TYR 163 Ca 0.69 1.52 0.01 0.00 -1.01 0.00 0.00 57.07 58.27 2pgc s TYR 163 Cb -0.48 -2.84 0.01 0.00 -0.11 0.00 0.00 41.96 38.54 2pgc s TYR 163 CO 0.52 -0.39 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.37 2pgc s LEU 164 N -3.83 1.62 -0.11 -1.29 2.96 0.85 -1.66 118.68 117.22 2pgc s LEU 164 Ca 0.61 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 2pgc s LEU 164 Cb -0.11 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.33 2pgc s LEU 164 CO 0.26 -0.01 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.88 2pgc s LEU 165 N 0.43 1.87 -0.11 -0.68 2.96 0.11 -1.90 118.68 121.36 2pgc s LEU 165 Ca -0.05 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2pgc s LEU 165 Cb -0.08 -1.21 -0.00 0.00 0.50 0.00 0.00 46.19 45.40 2pgc s LEU 165 CO -0.01 0.05 -0.21 -0.83 -1.32 0.00 0.00 176.35 174.04 2pgc s GLY 166 N 0.83 1.38 -0.06 7.98 0.00 -0.18 -0.80 107.32 116.48 2pgc s GLY 166 Ca -0.09 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.67 2pgc s GLY 166 CO 0.00 -0.24 -0.07 0.14 0.00 0.00 0.00 173.10 172.93 2pgc s VAL 167 N 0.44 0.78 0.01 1.40 1.01 -0.64 -0.74 120.40 122.65 2pgc s VAL 167 Ca -0.15 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 2pgc s VAL 167 Cb -0.17 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 2pgc s VAL 167 CO 0.06 0.28 0.41 -0.83 0.00 0.00 0.00 175.10 175.02 2pgc s GLY 168 N 0.90 2.46 0.04 4.51 0.00 0.20 -1.63 107.32 113.81 2pgc s GLY 168 Ca -0.11 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.39 2pgc s GLY 168 CO 0.01 0.11 -0.08 -0.19 0.00 0.00 0.00 173.10 172.95 2pgc s TYR 169 N -1.13 0.65 -0.40 1.90 2.02 0.08 -0.11 117.35 120.36 2pgc s TYR 169 Ca 0.25 -0.51 0.23 0.00 -0.37 0.00 0.00 57.07 56.68 2pgc s TYR 169 Cb -0.16 -0.39 0.24 0.00 -0.40 0.00 0.00 41.96 41.25 2pgc s TYR 169 CO 0.14 -0.09 1.38 -1.00 -1.57 0.00 0.00 175.55 174.41 2pgc h PRO 170 N 4.49 0.00 0.00 -1.71 0.13 -1.85 -0.99 132.00 132.07 2pgc h PRO 170 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2pgc h PRO 170 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2pgc h PRO 170 CO 0.41 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.05 2pgc n SER 171 N -2.80 0.93 0.00 1.44 3.41 -1.26 -4.44 113.62 110.90 2pgc n SER 171 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2pgc n SER 171 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2pgc n SER 171 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2pgc n GLU 173 N 0.00 0.00 -0.11 4.33 2.13 -1.26 -3.19 120.64 122.53 2pgc n GLU 173 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 2pgc n GLU 173 Cb 0.00 0.00 0.25 0.00 0.27 0.00 0.00 31.44 31.96 2pgc n GLU 173 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pgc h ALA 174 N 0.00 1.37 -0.25 4.31 0.00 -1.97 -1.11 119.26 121.61 2pgc h ALA 174 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2pgc h ALA 174 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2pgc h ALA 174 CO 0.00 0.48 0.04 0.82 0.00 0.00 0.00 179.25 180.59 2pgc h ILE 175 N 0.77 1.23 -0.42 0.00 2.04 -1.84 -1.09 117.51 118.20 2pgc h ILE 175 Ca 0.19 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.34 2pgc h ILE 175 Cb 0.15 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2pgc h ILE 175 CO -0.02 0.24 0.15 -0.08 0.00 0.00 0.00 178.15 178.44 2pgc h GLU 176 N 0.23 0.30 -0.20 2.37 4.81 -1.77 -0.07 114.58 120.25 2pgc h GLU 176 Ca 0.08 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 2pgc h GLU 176 Cb 0.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2pgc h GLU 176 CO 0.00 0.20 -0.45 0.87 -0.73 0.00 0.00 179.01 178.91 2pgc h LYS 177 N 0.31 0.50 0.02 1.92 1.79 -1.16 -0.36 116.57 119.60 2pgc h LYS 177 Ca 0.19 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2pgc h LYS 177 Cb 0.18 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2pgc h LYS 177 CO -0.19 0.85 -0.01 1.15 -1.08 0.00 0.00 179.45 180.16 2pgc h THR 178 N 0.41 1.12 0.00 -0.16 2.02 -0.71 -2.75 112.91 112.83 2pgc h THR 178 Ca 0.03 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 2pgc h THR 178 Cb 0.94 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2pgc h THR 178 CO 0.08 0.11 -0.47 1.88 0.37 0.00 0.00 175.52 177.49 2pgc h TYR 179 N -0.21 0.00 -0.39 3.16 0.05 -0.89 0.16 116.97 118.84 2pgc h TYR 179 Ca -0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 2pgc h TYR 179 Cb 0.20 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.89 2pgc h TYR 179 CO -0.01 0.47 0.10 -0.44 -1.05 0.00 0.00 178.16 177.23 2pgc h ASP 180 N 0.00 0.07 -0.03 3.88 3.32 -1.02 -1.83 116.42 120.81 2pgc h ASP 180 Ca -0.00 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2pgc h ASP 180 Cb 0.94 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2pgc h ASP 180 CO 0.06 0.07 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.42 2pgc h GLU 181 N 0.24 0.15 -0.26 3.56 4.81 -1.14 -3.34 114.58 118.60 2pgc h GLU 181 Ca 0.18 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2pgc h GLU 181 Cb 0.20 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2pgc h GLU 181 CO -0.22 0.79 0.03 1.25 -0.73 0.00 0.00 179.01 180.14 2pgc h LEU 182 N -0.44 -0.03 -2.33 1.64 5.85 -0.62 -1.85 115.31 117.52 2pgc h LEU 182 Ca -0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2pgc h LEU 182 Cb 0.82 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 2pgc h LEU 182 CO 0.03 0.02 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.04 2pgc h LEU 183 N 0.12 0.00 -4.27 2.25 3.38 -1.48 -2.07 115.31 113.24 2pgc h LEU 183 Ca 0.12 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.45 2pgc h LEU 183 Cb 0.14 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.54 2pgc h LEU 183 CO -0.18 0.04 0.14 0.00 0.09 0.00 0.00 178.44 178.53 2pgc n ALA 184 N -2.19 5.77 -2.40 1.53 0.00 -0.70 -4.81 120.51 117.71 2pgc n ALA 184 Ca -0.02 -3.88 -0.28 0.00 0.00 0.00 0.00 53.44 49.25 2pgc n ALA 184 Cb 0.16 -1.18 -0.15 0.00 0.00 0.00 0.00 19.45 18.27 2pgc n ALA 184 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2pgc s HIS 185 N -3.77 2.03 0.09 0.00 5.04 -0.78 -5.00 115.29 112.91 2pgc s HIS 185 Ca 0.55 -0.39 -0.23 0.00 -1.54 0.00 0.00 55.06 53.45 2pgc s HIS 185 Cb 0.44 -1.26 -0.15 0.00 0.04 0.00 0.00 32.58 31.65 2pgc s HIS 185 CO -0.13 0.03 1.74 0.66 -2.34 0.00 0.00 174.74 174.70 2pgc h SER 186 N 5.26 -0.01 -0.43 9.88 4.64 -1.94 -2.22 113.55 128.74 2pgc h SER 186 Ca -0.42 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.95 2pgc h SER 186 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2pgc h SER 186 CO 0.46 -0.00 0.29 0.28 -0.87 0.00 0.00 176.83 176.98 2pgc h SER 187 N -0.00 0.33 -0.06 4.97 0.02 -1.94 -0.22 113.55 116.64 2pgc h SER 187 Ca 0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2pgc h SER 187 Cb 0.01 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2pgc h SER 187 CO -0.00 0.22 -0.01 0.22 -1.14 0.00 0.00 176.83 176.11 2pgc h TYR 188 N 0.37 0.13 -0.16 3.45 3.20 -1.69 -1.56 116.97 120.72 2pgc h TYR 188 Ca 0.18 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2pgc h TYR 188 Cb 0.26 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2pgc h TYR 188 CO -0.00 0.45 0.03 0.87 -1.64 0.00 0.00 178.16 177.86 2pgc h LYS 189 N -0.22 0.22 -0.27 1.82 1.57 -0.82 -1.93 116.57 116.95 2pgc h LYS 189 Ca 0.02 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2pgc h LYS 189 Cb 0.40 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2pgc h LYS 189 CO 0.01 0.22 -0.26 1.49 -0.57 0.00 0.00 179.45 180.34 2pgc h GLU 190 N 0.22 0.66 -2.02 3.15 4.81 -1.03 -3.25 114.58 117.12 2pgc h GLU 190 Ca 0.06 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2pgc h GLU 190 Cb 0.11 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2pgc h GLU 190 CO -0.00 0.95 0.01 -0.11 -0.73 0.00 0.00 179.01 179.13 2pgc n LEU 191 N -4.31 0.00 0.00 1.64 7.94 -0.59 -3.92 117.00 117.76 2pgc n LEU 191 Ca -0.04 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2pgc n LEU 191 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 2pgc n LEU 191 CO 0.44 -0.01 0.00 0.35 -1.11 0.00 0.00 177.39 177.06 2pgc n THR 193 N 1.85 0.00 -0.54 1.96 -2.24 -1.23 -1.69 114.28 112.39 2pgc n THR 193 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2pgc n THR 193 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2pgc n THR 193 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2pgc n PHE 194 N 0.00 0.00 -4.41 4.78 1.16 -1.25 -5.05 117.46 112.68 2pgc n PHE 194 Ca 0.00 -0.03 -0.20 0.00 -1.87 0.00 0.00 57.45 55.35 2pgc n PHE 194 Cb 0.00 -0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 37.71 2pgc n PHE 194 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2pgc s ALA 195 N -0.06 0.88 -0.28 1.98 0.00 -0.68 -4.46 121.76 119.14 2pgc s ALA 195 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2pgc s ALA 195 Cb 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2pgc s ALA 195 CO 0.00 0.16 -0.03 0.21 0.00 0.00 0.00 175.76 176.10 2pgc s LYS 196 N 0.09 2.60 0.03 0.00 2.20 -0.29 -4.95 119.74 119.41 2pgc s LYS 196 Ca -0.01 -1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 54.15 2pgc s LYS 196 Cb -0.08 -3.08 -0.07 0.00 -1.51 0.00 0.00 37.83 33.09 2pgc s LYS 196 CO 0.00 -0.52 1.63 0.08 -0.36 0.00 0.00 175.35 176.18 2pgc s VAL 197 N 1.28 3.28 -0.21 4.02 1.01 -1.26 -0.81 120.40 127.70 2pgc s VAL 197 Ca -0.03 0.62 0.13 0.00 0.00 0.00 0.00 61.98 62.70 2pgc s VAL 197 Cb -0.18 -3.40 0.44 0.00 0.00 0.00 0.00 36.38 33.24 2pgc s VAL 197 CO -0.03 -0.02 1.32 -0.46 0.00 0.00 0.00 175.10 175.92 2pgc n ASN 198 N 6.01 2.48 -3.65 3.32 0.23 -0.16 -4.95 115.26 118.55 2pgc n ASN 198 Ca 0.16 -3.53 -0.02 0.00 -0.53 0.00 0.00 54.58 50.65 2pgc n ASN 198 Cb 0.42 -0.55 -0.07 0.00 -2.08 0.00 0.00 39.78 37.50 2pgc n ASN 198 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2pgc s ARG 200 N -3.09 0.25 0.01 -3.83 3.52 -1.26 -4.99 118.95 109.55 2pgc s ARG 200 Ca 0.40 0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 56.20 2pgc s ARG 200 Cb 0.36 0.08 0.03 0.00 -1.56 0.00 0.00 34.95 33.86 2pgc s ARG 200 CO 0.00 -0.04 0.37 -0.80 -0.81 0.00 0.00 175.30 174.02 2pgc s ASN 201 N 0.81 -0.25 -0.13 -2.12 0.01 -0.32 -4.83 114.94 108.10 2pgc s ASN 201 Ca -0.03 0.09 -0.04 0.00 -0.71 0.00 0.00 52.86 52.16 2pgc s ASN 201 Cb -0.04 0.37 -0.03 0.00 0.41 0.00 0.00 41.25 41.96 2pgc s ASN 201 CO -0.12 -0.55 0.02 -0.63 -1.51 0.00 0.00 177.10 174.32 2pgc s ILE 202 N -1.79 4.46 -0.12 0.60 1.01 -1.26 -0.82 121.20 123.27 2pgc s ILE 202 Ca -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 2pgc s ILE 202 Cb -0.03 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 2pgc s ILE 202 CO 0.02 0.55 -0.07 -0.63 0.00 0.00 0.00 174.94 174.81 2pgc s ILE 203 N -0.34 3.62 -0.30 2.92 1.01 0.11 0.28 121.20 128.50 2pgc s ILE 203 Ca 0.07 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 2pgc s ILE 203 Cb -0.12 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 2pgc s ILE 203 CO 0.02 0.54 0.38 -0.75 0.00 0.00 0.00 174.94 175.13 2pgc s LYS 204 N -0.08 3.81 0.08 2.79 2.20 -0.19 -1.03 119.74 127.33 2pgc s LYS 204 Ca 0.00 -0.15 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 2pgc s LYS 204 Cb -0.13 -3.72 -0.08 0.00 -1.51 0.00 0.00 37.83 32.38 2pgc s LYS 204 CO 0.03 -0.40 1.59 0.42 -0.36 0.00 0.00 175.35 176.63 2pgc s ILE 205 N 2.09 3.06 -2.45 5.43 -1.09 -0.32 -1.28 121.20 126.63 2pgc s ILE 205 Ca 0.14 0.58 0.20 0.00 -2.23 0.00 0.00 60.65 59.34 2pgc s ILE 205 Cb -0.16 -3.37 0.15 0.00 -1.58 0.00 0.00 42.46 37.50 2pgc s ILE 205 CO 0.11 0.01 1.12 0.18 -1.23 0.00 0.00 174.94 175.13