#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgc h ASN 3 N 0.00 0.00 -3.87 4.04 -0.26 -1.98 -3.46 115.58 110.05 2pgc h ASN 3 Ca 0.00 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 2pgc h ASN 3 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 2pgc h ASN 3 CO 0.00 0.00 0.42 -0.63 -1.06 0.00 0.00 177.43 176.16 2pgc s ILE 4 N -3.32 3.72 0.49 2.81 1.09 -1.26 -4.51 121.20 120.21 2pgc s ILE 4 Ca 0.06 1.52 0.03 0.00 -1.10 0.00 0.00 60.65 61.16 2pgc s ILE 4 Cb 0.09 -3.89 -0.02 0.00 -1.06 0.00 0.00 42.46 37.57 2pgc s ILE 4 CO 0.57 0.21 0.06 0.20 -0.10 0.00 0.00 174.94 175.88 2pgc s ASN 5 N -1.27 4.16 0.01 3.58 0.01 -0.58 -4.81 114.94 116.03 2pgc s ASN 5 Ca 0.50 -1.51 0.03 0.00 -0.71 0.00 0.00 52.86 51.17 2pgc s ASN 5 Cb -0.26 0.24 -0.01 0.00 0.41 0.00 0.00 41.25 41.63 2pgc s ASN 5 CO 0.33 -0.77 -0.10 -0.31 -1.51 0.00 0.00 177.10 174.74 2pgc s TYR 6 N -2.81 0.86 -0.10 2.20 1.51 0.89 -0.36 117.35 119.54 2pgc s TYR 6 Ca 0.17 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.04 2pgc s TYR 6 Cb 0.03 -0.53 -0.00 0.00 -0.11 0.00 0.00 41.96 41.34 2pgc s TYR 6 CO 0.10 -0.01 -0.22 0.08 -1.11 0.00 0.00 175.55 174.38 2pgc s VAL 7 N -0.47 2.22 -0.15 0.71 1.01 0.29 -0.86 120.40 123.15 2pgc s VAL 7 Ca 0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2pgc s VAL 7 Cb -0.05 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2pgc s VAL 7 CO 0.00 0.56 0.01 -0.63 0.00 0.00 0.00 175.10 175.04 2pgc s ILE 8 N 0.30 4.37 -0.13 2.22 1.09 -0.30 -0.05 121.20 128.70 2pgc s ILE 8 Ca -0.17 -0.19 0.02 0.00 -1.10 0.00 0.00 60.65 59.21 2pgc s ILE 8 Cb -0.17 -2.92 0.01 0.00 -1.06 0.00 0.00 42.46 38.32 2pgc s ILE 8 CO 0.08 0.50 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.48 2pgc s LEU 9 N 0.11 1.93 -0.06 2.97 1.02 0.28 -1.49 118.68 123.43 2pgc s LEU 9 Ca 0.02 -0.54 0.06 0.00 0.02 0.00 0.00 54.13 53.70 2pgc s LEU 9 Cb -0.13 -1.30 -0.01 0.00 0.02 0.00 0.00 46.19 44.77 2pgc s LEU 9 CO 0.02 0.03 -0.25 -0.89 0.02 0.00 0.00 176.35 175.28 2pgc s THR 10 N 1.00 2.03 -0.04 5.49 2.01 -0.33 -1.25 115.64 124.54 2pgc s THR 10 Ca -0.04 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 60.95 2pgc s THR 10 Cb -0.15 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 2pgc s THR 10 CO -0.04 0.56 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.59 2pgc s VAL 11 N -0.11 1.42 -0.01 3.82 1.01 0.04 -0.90 120.40 125.67 2pgc s VAL 11 Ca -0.05 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2pgc s VAL 11 Cb -0.14 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2pgc s VAL 11 CO 0.04 0.41 0.07 0.00 0.00 0.00 0.00 175.10 175.62 2pgc s ALA 12 N -0.03 -0.15 0.03 5.51 0.00 -0.57 -1.53 121.76 125.01 2pgc s ALA 12 Ca -0.02 -0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 2pgc s ALA 12 Cb -0.11 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 2pgc s ALA 12 CO 0.02 -0.12 0.64 -1.54 0.00 0.00 0.00 175.76 174.76 2pgc s SER 13 N -0.75 7.06 -0.01 0.00 1.04 0.08 -0.93 113.70 120.19 2pgc s SER 13 Ca -0.08 1.27 0.01 0.00 0.48 0.00 0.00 55.95 57.62 2pgc s SER 13 Cb -0.05 -2.40 0.01 0.00 0.10 0.00 0.00 66.02 63.68 2pgc s SER 13 CO 0.00 0.11 -0.03 -0.69 0.98 0.00 0.00 173.24 173.61 2pgc s VAL 14 N -0.31 0.27 0.28 5.02 1.01 -1.26 -0.97 120.40 124.44 2pgc s VAL 14 Ca 0.33 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2pgc s VAL 14 Cb -0.19 -0.27 -0.13 0.00 0.00 0.00 0.00 36.38 35.79 2pgc s VAL 14 CO 0.19 0.10 1.30 0.47 0.00 0.00 0.00 175.10 177.17 2pgc n ASP 15 N 3.33 2.52 -0.34 3.32 9.92 -0.84 -4.87 116.55 129.59 2pgc n ASP 15 Ca -0.17 1.17 0.07 0.00 -0.53 0.00 0.00 54.79 55.34 2pgc n ASP 15 Cb 0.56 -1.42 0.26 0.00 -0.64 0.00 0.00 41.12 39.88 2pgc n ASP 15 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2pgc h PHE 16 N 3.24 1.07 -0.17 1.24 3.57 -1.96 -2.14 116.94 121.79 2pgc h PHE 16 Ca -0.45 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 2pgc h PHE 16 Cb 1.29 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2pgc h PHE 16 CO 0.53 0.45 -0.07 0.66 -2.23 0.00 0.00 178.31 177.65 2pgc h SER 17 N 0.95 0.24 0.75 0.41 4.64 -2.00 -2.64 113.55 115.90 2pgc h SER 17 Ca 0.47 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2pgc h SER 17 Cb 0.47 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2pgc h SER 17 CO -0.23 0.35 -0.05 0.00 -0.87 0.00 0.00 176.83 176.03 2pgc n TYR 18 N -4.32 0.00 -0.21 4.77 9.36 -0.81 -4.30 117.16 121.65 2pgc n TYR 18 Ca -0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.23 2pgc n TYR 18 Cb 0.23 -0.38 0.12 0.00 -0.63 0.00 0.00 39.34 38.68 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 0.06 0.24 0.22 2.98 3.08 -1.48 -2.59 114.38 116.88 2pgc h ARG 19 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2pgc h ARG 19 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2pgc h ARG 19 CO 0.00 0.16 -0.11 0.93 -1.07 0.00 0.00 179.97 179.88 2pgc h GLU 20 N 0.24 -0.29 -1.45 0.04 5.08 -1.82 -2.54 114.58 113.84 2pgc h GLU 20 Ca 0.34 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2pgc h GLU 20 Cb 0.53 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2pgc h GLU 20 CO -0.44 0.02 0.00 2.41 -1.00 0.00 0.00 179.01 179.99 2pgc n THR 21 N -5.09 0.00 0.00 1.13 -1.04 -0.98 -2.53 114.28 105.77 2pgc n THR 21 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2pgc n THR 21 Cb 0.23 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 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 0.80 0.00 -0.07 2.41 0.00 -0.96 -1.06 120.51 121.63 2pgc n ALA 23 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pgc n ALA 23 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2pgc n ALA 23 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2pgc h ARG 24 N 0.00 0.38 -1.38 0.00 -0.00 -1.78 -1.50 114.38 110.10 2pgc h ARG 24 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 59.98 59.83 2pgc h ARG 24 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 2pgc h ARG 24 CO 0.00 0.63 0.00 1.28 -0.00 0.00 0.00 179.97 181.88 2pgc n LEU 25 N -4.63 0.10 0.00 0.08 4.77 -0.23 -3.07 117.00 114.03 2pgc n LEU 25 Ca -0.05 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2pgc n LEU 25 Cb 0.28 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2pgc n LEU 25 CO 0.38 0.02 0.00 -1.54 -1.33 0.00 0.00 177.39 174.92 2pgc n SER 27 N 0.83 0.00 0.02 -1.43 3.41 -0.56 -1.37 113.62 114.52 2pgc n SER 27 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2pgc n SER 27 Cb 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.05 -0.75 4.04 0.87 -1.82 -2.30 113.55 113.53 2pgc h SER 28 Ca 0.00 -0.37 0.08 0.00 -1.23 0.00 0.00 61.79 60.27 2pgc h SER 28 Cb 0.00 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 2pgc h SER 28 CO 0.00 0.35 0.49 0.22 -0.53 0.00 0.00 176.83 177.36 2pgc h TYR 29 N -0.46 0.76 -0.24 2.24 3.20 -1.53 -2.02 116.97 118.92 2pgc h TYR 29 Ca -0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2pgc h TYR 29 Cb 0.42 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2pgc h TYR 29 CO 0.06 0.38 0.14 0.77 -1.64 0.00 0.00 178.16 177.87 2pgc h SER 30 N 0.73 0.30 -0.48 -2.11 0.02 -1.80 -2.03 113.55 108.18 2pgc h SER 30 Ca 0.34 -0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.30 2pgc h SER 30 Cb 0.35 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 2pgc h SER 30 CO -0.12 0.28 0.11 0.11 -1.14 0.00 0.00 176.83 176.07 2pgc h LYS 31 N 0.29 0.25 -0.43 3.45 6.56 -0.87 0.84 116.57 126.66 2pgc h LYS 31 Ca 0.09 -0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.75 2pgc h LYS 31 Cb 0.04 -0.06 -0.08 0.00 -0.57 0.00 0.00 32.23 31.56 2pgc h LYS 31 CO -0.02 0.16 -0.10 0.22 -2.06 0.00 0.00 179.45 177.66 2pgc h ASP 32 N 0.25 -0.38 -0.30 0.86 1.82 -1.10 0.14 116.42 117.71 2pgc h ASP 32 Ca 0.24 0.13 -0.15 0.00 -0.39 0.00 0.00 57.03 56.85 2pgc h ASP 32 Cb 0.30 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2pgc h ASP 32 CO -0.30 -0.14 -0.39 -0.07 -1.61 0.00 0.00 179.24 176.73 2pgc h LEU 33 N 0.01 0.91 -0.38 2.28 3.38 -0.60 0.10 115.31 121.00 2pgc h LEU 33 Ca 0.21 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2pgc h LEU 33 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2pgc h LEU 33 CO -0.44 1.19 0.11 0.40 0.09 0.00 0.00 178.44 179.79 2pgc h ILE 34 N 0.70 1.22 0.13 1.22 2.04 -0.44 -1.50 117.51 120.87 2pgc h ILE 34 Ca 0.06 -0.73 -0.29 0.00 1.00 0.00 0.00 64.86 64.89 2pgc h ILE 34 Cb 0.97 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2pgc h ILE 34 CO 0.09 0.25 -1.38 0.44 0.00 0.00 0.00 178.15 177.55 2pgc h ASP 35 N 0.47 0.43 0.00 1.72 3.32 -0.93 -3.32 116.42 118.11 2pgc h ASP 35 Ca 0.12 -0.51 -0.15 0.00 0.02 0.00 0.00 57.03 56.51 2pgc h ASP 35 Cb 0.28 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2pgc h ASP 35 CO -0.00 1.41 -1.68 0.59 -1.72 0.00 0.00 179.24 177.84 2pgc n ASN 36 N -3.50 2.39 -0.01 6.45 3.02 0.01 -4.57 115.26 119.05 2pgc n ASN 36 Ca -0.12 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.53 2pgc n ASN 36 Cb 1.04 0.94 0.02 0.00 -0.61 0.00 0.00 39.78 41.16 2pgc n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pgc n ALA 37 N -2.27 4.31 -1.08 5.41 0.00 -0.75 -4.95 120.51 121.18 2pgc n ALA 37 Ca -0.14 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 2pgc n ALA 37 Cb 0.71 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 1.50 0.60 3.70 0.00 0.00 -0.94 -4.64 105.19 105.42 2pgc n GLY 38 Ca 0.05 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2pgc n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgc n ALA 39 N 1.05 2.45 -0.95 4.61 0.00 -0.64 -4.81 120.51 122.21 2pgc n ALA 39 Ca -0.03 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.61 2pgc n ALA 39 Cb 0.11 -2.52 0.03 0.00 0.00 0.00 0.00 19.45 17.07 2pgc n ALA 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pgc n LYS 40 N 4.38 1.89 0.00 0.00 4.76 0.09 -4.39 118.16 124.89 2pgc n LYS 40 Ca 0.17 -1.70 0.00 0.00 -2.87 0.00 0.00 58.31 53.90 2pgc n LYS 40 Cb 0.35 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 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 0.32 3.19 3.19 0.72 0.00 -1.26 -4.79 105.19 106.55 2pgc n GLY 41 Ca 0.33 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.19 0.40 0.02 2.61 -4.23 -1.26 -2.36 115.64 108.63 2pgc s THR 42 Ca 0.00 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 2pgc s THR 42 Cb 0.00 -2.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 2pgc s THR 42 CO 0.00 -0.53 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.35 2pgc s ARG 43 N -3.97 0.46 -0.03 3.99 1.81 0.00 -4.97 118.95 116.25 2pgc s ARG 43 Ca 0.22 -0.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.79 2pgc s ARG 43 Cb 0.07 -0.34 0.03 0.00 -0.45 0.00 0.00 34.95 34.25 2pgc s ARG 43 CO 0.01 0.08 0.02 0.12 -0.68 0.00 0.00 175.30 174.85 2pgc s PHE 44 N -0.68 0.16 0.30 -0.53 5.36 -1.26 -0.05 117.98 121.28 2pgc s PHE 44 Ca -0.03 0.08 -0.19 0.00 -0.96 0.00 0.00 56.93 55.83 2pgc s PHE 44 Cb -0.06 -0.33 0.06 0.00 -0.34 0.00 0.00 43.02 42.35 2pgc s PHE 44 CO 0.00 -0.12 0.87 0.20 -1.46 0.00 0.00 175.22 174.72 2pgc s GLY 45 N 1.12 0.23 -0.08 13.12 0.00 -0.70 -1.32 107.32 119.69 2pgc s GLY 45 Ca -0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 2pgc s GLY 45 CO -0.02 0.58 0.06 -1.35 0.00 0.00 0.00 173.10 172.36 2pgc s SER 46 N -3.16 5.65 -0.18 1.64 1.04 -0.67 -0.58 113.70 117.45 2pgc s SER 46 Ca 0.17 0.24 -0.29 0.00 0.48 0.00 0.00 55.95 56.55 2pgc s SER 46 Cb -0.04 -1.67 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 2pgc s SER 46 CO 0.09 0.37 1.33 -0.63 0.98 0.00 0.00 173.24 175.38 2pgc s ILE 47 N -0.99 4.15 -0.18 -1.02 1.01 0.24 -0.83 121.20 123.58 2pgc s ILE 47 Ca 0.16 1.37 0.18 0.00 0.00 0.00 0.00 60.65 62.36 2pgc s ILE 47 Cb -0.12 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2pgc s ILE 47 CO 0.05 -0.19 1.07 1.23 0.00 0.00 0.00 174.94 177.10 2pgc h GLY 48 N 10.07 0.00 -1.80 6.18 0.00 -0.82 0.18 103.07 116.88 2pgc h GLY 48 Ca -0.28 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.58 2pgc h GLY 48 CO 0.98 0.00 -0.56 -0.51 0.00 0.00 0.00 176.54 176.45 2pgc s THR 49 N -3.07 0.62 0.00 4.70 -4.23 -1.25 -4.74 115.64 107.66 2pgc s THR 49 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2pgc s THR 49 Cb 0.08 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.39 2pgc s THR 49 CO 0.78 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 2pgc n GLY 50 N -0.70 -1.39 0.24 3.99 0.00 -1.26 -3.16 105.19 102.91 2pgc n GLY 50 Ca -0.02 -1.26 0.13 0.00 0.00 0.00 0.00 46.02 44.87 2pgc n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pgc h ASP 51 N 0.00 0.00 -0.52 1.61 3.45 -1.99 -2.67 116.42 116.30 2pgc h ASP 51 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2pgc h ASP 51 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2pgc h ASP 51 CO 0.00 0.08 0.00 1.41 -1.57 0.00 0.00 179.24 179.16 2pgc n HIS 52 N -3.16 1.49 -1.62 4.55 -0.00 -1.26 -4.99 115.22 110.23 2pgc n HIS 52 Ca 0.02 -0.55 -0.53 0.00 -0.00 0.00 0.00 57.72 56.66 2pgc n HIS 52 Cb 0.44 -0.32 -0.06 0.00 -0.00 0.00 0.00 29.99 30.05 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 0.73 -0.68 0.00 -1.41 0.00 -1.01 -0.94 120.51 117.20 2pgc n ALA 53 Ca 0.22 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.14 2pgc n ALA 53 Cb 0.90 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 2.99 2.16 3.82 0.00 0.00 0.64 -5.00 105.19 109.80 2pgc n GLY 54 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.82 5.53 0.15 1.61 0.01 -0.12 -4.71 113.70 114.35 2pgc s SER 55 Ca 0.00 1.65 0.02 0.00 1.31 0.00 0.00 55.95 58.93 2pgc s SER 55 Cb 0.00 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 2pgc s SER 55 CO 0.00 -1.34 0.29 -0.76 0.41 0.00 0.00 173.24 171.84 2pgc s LEU 56 N -5.28 4.33 0.01 2.44 1.43 -0.10 -0.59 118.68 120.92 2pgc s LEU 56 Ca 0.59 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 2pgc s LEU 56 Cb -0.14 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 2pgc s LEU 56 CO 0.51 0.05 -0.08 -0.51 0.23 0.00 0.00 176.35 176.55 2pgc s ILE 57 N -1.74 0.59 -0.06 -0.59 2.07 0.26 -1.51 121.20 120.22 2pgc s ILE 57 Ca 0.35 -0.56 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 2pgc s ILE 57 Cb -0.11 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 41.94 2pgc s ILE 57 CO 0.28 -0.00 -0.16 0.12 -1.91 0.00 0.00 174.94 173.27 2pgc s PHE 58 N -0.54 1.69 -0.07 3.50 5.36 -0.08 -1.73 117.98 126.11 2pgc s PHE 58 Ca -0.01 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 55.42 2pgc s PHE 58 Cb -0.05 -1.17 0.01 0.00 -0.34 0.00 0.00 43.02 41.46 2pgc s PHE 58 CO 0.00 -0.24 -0.16 0.42 -1.46 0.00 0.00 175.22 173.78 2pgc s ILE 59 N 0.32 1.45 -0.03 3.12 1.01 0.93 -1.19 121.20 126.81 2pgc s ILE 59 Ca -0.10 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 59.95 2pgc s ILE 59 Cb -0.14 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 2pgc s ILE 59 CO 0.04 0.42 -0.23 -1.10 0.00 0.00 0.00 174.94 174.07 2pgc s GLN 60 N 0.48 2.01 -0.12 2.79 -0.21 -0.56 -0.82 119.66 123.24 2pgc s GLN 60 Ca -0.14 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.42 2pgc s GLN 60 Cb -0.16 -1.86 -0.01 0.00 1.00 0.00 0.00 33.01 31.98 2pgc s GLN 60 CO 0.05 0.45 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.45 2pgc s PHE 61 N -0.41 2.75 0.02 0.91 0.08 -0.99 -1.15 117.98 119.19 2pgc s PHE 61 Ca 0.05 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.39 2pgc s PHE 61 Cb -0.10 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 2pgc s PHE 61 CO 0.00 -0.25 -0.07 0.71 -0.10 0.00 0.00 175.22 175.51 2pgc s TYR 62 N 0.32 0.62 0.14 0.36 2.02 -0.04 -0.73 117.35 120.04 2pgc s TYR 62 Ca -0.12 -0.32 0.11 0.00 -0.37 0.00 0.00 57.07 56.36 2pgc s TYR 62 Cb -0.16 -0.38 0.15 0.00 -0.40 0.00 0.00 41.96 41.16 2pgc s TYR 62 CO 0.06 -0.05 1.48 -0.44 -1.57 0.00 0.00 175.55 175.04 2pgc h ASP 63 N 5.14 0.00 -5.04 2.29 3.32 -1.87 0.25 116.42 120.51 2pgc h ASP 63 Ca -0.33 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.57 2pgc h ASP 63 Cb 1.20 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.59 2pgc h ASP 63 CO 0.45 0.71 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.18 2pgc s ASP 64 N -6.68 0.62 0.49 6.45 1.01 -1.26 -4.45 116.67 112.86 2pgc s ASP 64 Ca 0.01 -0.92 0.28 0.00 0.71 0.00 0.00 52.55 52.63 2pgc s ASP 64 Cb 0.11 0.16 1.12 0.00 1.01 0.00 0.00 42.92 45.32 2pgc s ASP 64 CO 0.77 -0.51 1.90 -0.07 0.21 0.00 0.00 175.17 177.47 2pgc h LEU 65 N 3.37 0.00 -0.62 1.23 3.38 -1.98 -2.28 115.31 118.41 2pgc h LEU 65 Ca -0.34 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.75 2pgc h LEU 65 Cb 1.16 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 2pgc h LEU 65 CO 0.61 0.12 0.10 0.74 0.09 0.00 0.00 178.44 180.11 2pgc h THR 66 N 0.00 0.59 -0.55 0.22 2.02 -2.00 -1.55 112.91 111.65 2pgc h THR 66 Ca -0.00 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 67.21 2pgc h THR 66 Cb 0.63 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.30 2pgc h THR 66 CO 0.02 0.04 -0.01 1.23 0.37 0.00 0.00 175.52 177.16 2pgc h GLY 67 N 0.22 0.56 1.66 2.16 0.00 -1.67 -2.02 103.07 103.98 2pgc h GLY 67 Ca 0.33 0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.66 2pgc h GLY 67 CO -0.44 -0.17 -0.19 -1.82 0.00 0.00 0.00 176.54 173.92 2pgc h TYR 68 N 0.10 0.45 -0.69 5.60 3.20 -1.35 -1.38 116.97 122.90 2pgc h TYR 68 Ca 0.28 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 2pgc h TYR 68 Cb 0.44 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 2pgc h TYR 68 CO -0.35 0.58 0.19 0.37 -1.64 0.00 0.00 178.16 177.31 2pgc h GLN 69 N 0.37 1.08 -0.70 1.82 4.15 -0.84 -0.22 115.11 120.77 2pgc h GLN 69 Ca 0.06 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 2pgc h GLN 69 Cb 0.55 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 2pgc h GLN 69 CO 0.04 0.95 0.27 0.87 -1.93 0.00 0.00 178.83 179.03 2pgc h LYS 70 N 1.02 1.06 -0.79 1.69 1.57 -0.91 -2.08 116.57 118.12 2pgc h LYS 70 Ca 0.22 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2pgc h LYS 70 Cb 0.34 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 2pgc h LYS 70 CO -0.00 0.89 0.50 0.00 -0.57 0.00 0.00 179.45 180.26 2pgc h ALA 71 N 1.13 1.05 -0.87 3.86 0.00 -0.85 0.58 119.26 124.14 2pgc h ALA 71 Ca 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2pgc h ALA 71 Cb 0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2pgc h ALA 71 CO -0.02 0.30 0.57 -0.07 0.00 0.00 0.00 179.25 180.03 2pgc h LEU 72 N 0.97 1.01 -0.89 0.00 3.38 -0.61 -1.42 115.31 117.75 2pgc h LEU 72 Ca 0.32 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 2pgc h LEU 72 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2pgc h LEU 72 CO -0.12 0.74 -0.28 -0.33 0.09 0.00 0.00 178.44 178.54 2pgc h GLU 73 N 1.19 0.49 -0.33 1.13 5.08 -0.61 -2.73 114.58 118.80 2pgc h GLU 73 Ca 0.32 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2pgc h GLU 73 Cb -0.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2pgc h GLU 73 CO -0.07 0.73 -0.04 0.82 -1.00 0.00 0.00 179.01 179.45 2pgc h ILE 74 N 0.43 1.21 0.52 3.13 1.08 -0.21 -3.23 117.51 120.43 2pgc h ILE 74 Ca 0.06 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.63 2pgc h ILE 74 Cb 0.71 1.00 0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2pgc h ILE 74 CO 0.05 0.30 -0.25 1.56 -0.69 0.00 0.00 178.15 179.12 2pgc h GLN 75 N 0.51 -0.67 -0.86 2.37 4.20 -0.97 -1.94 115.11 117.75 2pgc h GLN 75 Ca 0.10 0.05 0.23 0.00 0.06 0.00 0.00 58.65 59.09 2pgc h GLN 75 Cb 0.39 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 2pgc h GLN 75 CO 0.02 -0.43 0.60 0.66 -0.67 0.00 0.00 178.83 179.01 2pgc h SER 76 N -0.73 0.15 0.59 1.46 4.64 -1.56 -0.38 113.55 117.72 2pgc h SER 76 Ca -0.07 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2pgc h SER 76 Cb 0.55 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2pgc h SER 76 CO 0.12 0.06 -0.87 0.29 -0.87 0.00 0.00 176.83 175.55 2pgc n LYS 77 N -4.37 0.28 -2.63 4.77 4.01 -1.15 -4.96 118.16 114.11 2pgc n LYS 77 Ca 0.18 0.03 -0.42 0.00 -0.51 0.00 0.00 58.31 57.58 2pgc n LYS 77 Cb 0.83 -1.62 -0.03 0.00 -0.51 0.00 0.00 35.03 33.70 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 -4.00 7.20 0.11 4.39 0.15 -0.15 -4.95 113.70 116.45 2pgc s SER 78 Ca 0.05 1.61 -0.13 0.00 0.70 0.00 0.00 55.95 58.18 2pgc s SER 78 Cb 0.14 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.79 2pgc s SER 78 CO 0.77 -0.47 1.38 0.77 1.20 0.00 0.00 173.24 176.88 2pgc h SER 79 N 7.17 0.92 -0.48 5.45 4.64 -1.91 -1.84 113.55 127.50 2pgc h SER 79 Ca -0.32 -0.55 0.08 0.00 -0.47 0.00 0.00 61.79 60.52 2pgc h SER 79 Cb 1.15 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.92 2pgc h SER 79 CO 0.86 1.30 0.12 0.58 -0.87 0.00 0.00 176.83 178.82 2pgc h VAL 80 N 0.58 0.77 -0.48 0.95 2.07 -1.96 -0.64 116.25 117.55 2pgc h VAL 80 Ca 0.00 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2pgc h VAL 80 Cb 1.16 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2pgc h VAL 80 CO 0.12 0.05 0.04 0.15 0.02 0.00 0.00 177.57 177.95 2pgc h PHE 81 N 0.27 0.89 -0.91 1.57 3.57 -1.88 -2.67 116.94 117.78 2pgc h PHE 81 Ca 0.24 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2pgc h PHE 81 Cb 0.29 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2pgc h PHE 81 CO -0.20 0.83 0.60 -0.22 -2.23 0.00 0.00 178.31 177.09 2pgc h LYS 82 N 0.69 1.19 -0.29 1.11 3.64 -0.97 -2.96 116.57 118.98 2pgc h LYS 82 Ca 0.14 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2pgc h LYS 82 Cb 0.45 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2pgc h LYS 82 CO 0.02 0.79 0.17 1.49 -2.27 0.00 0.00 179.45 179.65 2pgc h GLU 83 N 1.22 0.40 0.00 1.90 4.81 -0.98 0.32 114.58 122.26 2pgc h GLU 83 Ca 0.33 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2pgc h GLU 83 Cb -0.13 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.16 2pgc h GLU 83 CO -0.08 0.32 0.00 -0.89 -0.73 0.00 0.00 179.01 177.64 2pgc n ILE 84 N -4.84 0.00 0.00 2.32 5.41 -1.02 -1.14 119.36 120.09 2pgc n ILE 84 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2pgc n ILE 84 Cb 0.06 -0.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 2pgc n ILE 84 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2pgc n ASP 86 N 0.13 0.00 0.15 4.38 8.00 0.11 -3.99 116.55 125.33 2pgc n ASP 86 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 2pgc n ASP 86 Cb 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.43 2pgc n ASP 86 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2pgc h SER 87 N 0.00 0.09 -0.12 -2.24 4.64 -1.37 -3.46 113.55 111.09 2pgc h SER 87 Ca 0.00 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 2pgc h SER 87 Cb 0.00 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2pgc h SER 87 CO 0.00 0.44 -0.05 0.61 -0.87 0.00 0.00 176.83 176.96 2pgc n GLY 88 N -0.46 0.50 0.56 -0.77 0.00 -1.26 -4.88 105.19 98.89 2pgc n GLY 88 Ca -0.02 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2pgc n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pgc n LYS 89 N -1.63 1.44 -4.16 1.61 5.02 -1.26 -4.91 118.16 114.27 2pgc n LYS 89 Ca -0.03 -1.26 -0.24 0.00 -2.02 0.00 0.00 58.31 54.76 2pgc n LYS 89 Cb 0.25 -1.30 -0.17 0.00 -0.02 0.00 0.00 35.03 33.79 2pgc n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pgc s ALA 90 N -1.54 1.06 -0.22 7.82 0.00 -1.26 -1.99 121.76 125.63 2pgc s ALA 90 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2pgc s ALA 90 Cb 0.13 -0.66 0.05 0.00 0.00 0.00 0.00 23.12 22.64 2pgc s ALA 90 CO 0.27 -0.16 -0.11 1.21 0.00 0.00 0.00 175.76 176.97 2pgc s ASN 91 N 1.22 3.74 -0.16 0.00 3.04 -0.15 -4.99 114.94 117.64 2pgc s ASN 91 Ca -0.05 -1.05 -0.29 0.00 0.04 0.00 0.00 52.86 51.51 2pgc s ASN 91 Cb -0.14 -1.35 -0.02 0.00 -1.54 0.00 0.00 41.25 38.20 2pgc s ASN 91 CO -0.02 -0.15 1.26 -0.63 -3.04 0.00 0.00 177.10 174.52 2pgc s ILE 92 N 1.29 4.28 0.00 -5.21 1.01 -1.26 -0.74 121.20 120.57 2pgc s ILE 92 Ca -0.03 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.16 2pgc s ILE 92 Cb -0.17 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.30 2pgc s ILE 92 CO -0.08 -0.13 0.48 0.00 0.00 0.00 0.00 174.94 175.22 2pgc n TYR 93 N 6.51 0.00 -3.68 3.97 4.11 -0.58 -4.98 117.16 122.51 2pgc n TYR 93 Ca 0.14 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.90 57.91 2pgc n TYR 93 Cb 0.45 -0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.70 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 -0.03 -0.26 -0.10 -3.48 2.96 -1.12 -5.02 118.68 111.63 2pgc s LEU 94 Ca 0.00 1.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.98 2pgc s LEU 94 Cb 0.00 1.82 0.05 0.00 0.50 0.00 0.00 46.19 48.56 2pgc s LEU 94 CO 0.00 -0.20 0.24 -0.60 -1.32 0.00 0.00 176.35 174.47 2pgc s ARG 95 N 0.88 0.19 0.13 1.98 3.52 -1.26 -0.78 118.95 123.60 2pgc s ARG 95 Ca -0.05 0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 56.09 2pgc s ARG 95 Cb -0.05 -0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.17 2pgc s ARG 95 CO -0.07 -0.18 0.03 -0.80 -0.81 0.00 0.00 175.30 173.46 2pgc s ASN 96 N 1.39 0.60 -0.05 -2.12 0.01 -0.38 -4.88 114.94 109.51 2pgc s ASN 96 Ca -0.08 -1.17 0.04 0.00 -0.71 0.00 0.00 52.86 50.95 2pgc s ASN 96 Cb -0.11 0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.76 2pgc s ASN 96 CO -0.08 -0.66 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.05 2pgc s ILE 97 N -3.91 2.82 0.08 0.60 1.01 -1.26 -0.56 121.20 119.99 2pgc s ILE 97 Ca 0.21 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.13 2pgc s ILE 97 Cb 0.07 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2pgc s ILE 97 CO 0.01 0.58 -0.19 -0.55 0.00 0.00 0.00 174.94 174.79 2pgc s SER 98 N -0.56 2.30 0.70 3.58 0.15 0.93 -0.44 113.70 120.36 2pgc s SER 98 Ca 0.08 -0.63 -0.11 0.00 0.70 0.00 0.00 55.95 55.99 2pgc s SER 98 Cb -0.11 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 2pgc s SER 98 CO 0.01 0.05 1.06 0.42 1.20 0.00 0.00 173.24 175.98 2pgc s THR 99 N -1.10 4.01 -0.17 6.45 -4.23 -0.11 -0.55 115.64 119.95 2pgc s THR 99 Ca 0.05 0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 61.20 2pgc s THR 99 Cb -0.10 -3.42 0.04 0.00 1.34 0.00 0.00 72.50 70.36 2pgc s THR 99 CO 0.03 -0.85 -0.04 -0.55 -0.54 0.00 0.00 174.62 172.67 2pgc s SER 100 N -3.85 2.81 0.12 3.99 0.15 0.52 -3.97 113.70 113.48 2pgc s SER 100 Ca 0.58 -0.67 -0.04 0.00 0.70 0.00 0.00 55.95 56.51 2pgc s SER 100 Cb -0.14 -0.86 -0.05 0.00 -1.71 0.00 0.00 66.02 63.26 2pgc s SER 100 CO 0.55 -0.20 0.34 -0.76 1.20 0.00 0.00 173.24 174.37 2pgc s LEU 101 N 1.67 4.29 -0.06 3.45 1.43 0.12 -1.53 118.68 128.05 2pgc s LEU 101 Ca 0.00 0.55 -0.37 0.00 -1.03 0.00 0.00 54.13 53.28 2pgc s LEU 101 Cb -0.15 -3.21 -0.15 0.00 0.03 0.00 0.00 46.19 42.70 2pgc s LEU 101 CO -0.07 0.09 1.58 -2.65 0.23 0.00 0.00 176.35 175.52 2pgc n PRO 102 N 0.21 1.38 -4.19 1.29 -0.02 -1.26 -4.51 135.00 127.89 2pgc n PRO 102 Ca -0.04 0.50 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 2pgc n PRO 102 Cb 0.52 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.07 1.22 -1.29 3.45 -4.23 -1.26 -5.07 115.64 110.54 2pgc s THR 103 Ca 0.90 -1.37 -0.13 0.00 -1.18 0.00 0.00 61.69 59.91 2pgc s THR 103 Cb -0.94 -1.18 0.13 0.00 1.34 0.00 0.00 72.50 71.85 2pgc s THR 103 CO 0.53 -0.21 1.75 0.29 -0.54 0.00 0.00 174.62 176.45 2pgc n LYS 104 N 1.20 3.33 -3.80 3.99 5.02 -1.26 -4.89 118.16 121.75 2pgc n LYS 104 Ca -0.21 -3.45 -0.13 0.00 -2.02 0.00 0.00 58.31 52.51 2pgc n LYS 104 Cb 0.54 -3.14 -0.14 0.00 -0.02 0.00 0.00 35.03 32.27 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 1.99 -0.08 -0.65 2.13 2.19 -1.26 -4.81 117.98 117.49 2pgc s PHE 105 Ca 0.45 0.26 -0.27 0.00 0.33 0.00 0.00 56.93 57.70 2pgc s PHE 105 Cb 0.05 -0.07 0.04 0.00 -1.31 0.00 0.00 43.02 41.73 2pgc s PHE 105 CO 0.00 -0.09 1.18 -2.00 1.83 0.00 0.00 175.22 176.15 2pgc s GLU 106 N 0.61 3.31 0.30 10.12 2.12 -1.26 -4.98 118.70 128.92 2pgc s GLU 106 Ca -0.05 -0.13 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 2pgc s GLU 106 Cb -0.07 -4.11 -0.10 0.00 0.26 0.00 0.00 34.13 30.12 2pgc s GLU 106 CO -0.02 -1.87 1.13 -0.65 -0.54 0.00 0.00 175.26 173.30 2pgc s GLN 107 N 5.08 4.55 0.14 4.30 -1.52 -1.26 -4.87 119.66 126.08 2pgc s GLN 107 Ca 0.36 1.85 0.04 0.00 -1.95 0.00 0.00 55.36 55.66 2pgc s GLN 107 Cb -0.09 -3.12 -0.04 0.00 -0.22 0.00 0.00 33.01 29.54 2pgc s GLN 107 CO 0.19 0.12 0.14 0.45 -0.25 0.00 0.00 175.29 175.93 2pgc s SER 108 N -0.87 5.62 0.00 5.90 0.15 -0.12 -5.02 113.70 119.36 2pgc s SER 108 Ca 0.46 -0.06 0.26 0.00 0.70 0.00 0.00 55.95 57.31 2pgc s SER 108 Cb -0.32 -1.51 0.68 0.00 -1.71 0.00 0.00 66.02 63.16 2pgc s SER 108 CO 0.42 0.10 1.53 -1.22 1.20 0.00 0.00 173.24 175.26 2pgc n TYR 109 N -0.13 0.00 -1.67 3.44 4.01 -1.26 -4.73 117.16 116.81 2pgc n TYR 109 Ca -0.08 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.19 2pgc n TYR 109 Cb 0.54 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.48 2pgc n TYR 109 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2pgc n GLU 110 N 0.01 2.08 -2.02 -0.72 2.13 -1.26 -4.91 120.64 115.96 2pgc n GLU 110 Ca 0.15 0.75 -0.42 0.00 0.66 0.00 0.00 57.16 58.30 2pgc n GLU 110 Cb 0.40 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.55 2pgc n GLU 110 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2pgc s HIS 111 N 1.80 2.60 0.47 4.31 5.65 -1.26 -4.94 115.29 123.92 2pgc s HIS 111 Ca 0.83 0.49 -0.20 0.00 0.25 0.00 0.00 55.06 56.43 2pgc s HIS 111 Cb -0.71 -3.87 -0.09 0.00 -1.18 0.00 0.00 32.58 26.73 2pgc s HIS 111 CO 0.43 -3.41 1.00 -1.25 -0.65 0.00 0.00 174.74 170.86 2pgc s PRO 112 N 2.44 3.95 -0.01 2.88 0.04 -1.26 -4.94 135.00 138.11 2pgc s PRO 112 Ca 0.71 1.24 0.16 0.00 0.04 0.00 0.00 61.00 63.15 2pgc s PRO 112 Cb -0.38 -2.13 -0.19 0.00 0.04 0.00 0.00 34.50 31.85 2pgc s PRO 112 CO 0.31 -0.29 0.67 1.63 0.04 0.00 0.00 177.00 179.35 2pgc n LYS 113 N -0.93 0.63 -4.11 4.56 5.02 0.03 -4.71 118.16 118.66 2pgc n LYS 113 Ca 0.08 0.19 -0.14 0.00 -2.02 0.00 0.00 58.31 56.42 2pgc n LYS 113 Cb 0.53 -1.75 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 2pgc n LYS 113 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2pgc s TYR 114 N -2.81 0.60 -0.04 2.13 2.02 -0.78 -1.41 117.35 117.07 2pgc s TYR 114 Ca -0.05 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.41 2pgc s TYR 114 Cb 0.08 -0.37 -0.02 0.00 -0.40 0.00 0.00 41.96 41.26 2pgc s TYR 114 CO 0.82 -0.05 -0.25 0.42 -1.57 0.00 0.00 175.55 174.93 2pgc s ILE 115 N -0.81 2.15 -0.23 2.71 1.01 -0.31 0.04 121.20 125.76 2pgc s ILE 115 Ca -0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 2pgc s ILE 115 Cb -0.06 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2pgc s ILE 115 CO 0.00 0.58 -0.02 -0.69 0.00 0.00 0.00 174.94 174.81 2pgc s VAL 116 N -0.46 3.52 -0.20 2.92 1.01 -0.23 0.06 120.40 127.02 2pgc s VAL 116 Ca 0.05 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2pgc s VAL 116 Cb -0.11 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2pgc s VAL 116 CO 0.01 0.36 0.24 -0.76 0.00 0.00 0.00 175.10 174.95 2pgc s LEU 117 N 1.49 4.19 -0.04 3.92 1.43 -0.54 -1.79 118.68 127.34 2pgc s LEU 117 Ca 0.05 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 2pgc s LEU 117 Cb -0.15 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 2pgc s LEU 117 CO -0.02 0.08 -0.22 -0.89 0.23 0.00 0.00 176.35 175.53 2pgc s THR 118 N 0.75 1.80 -0.04 5.49 2.01 0.47 -1.38 115.64 124.74 2pgc s THR 118 Ca 0.13 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.24 2pgc s THR 118 Cb -0.13 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 2pgc s THR 118 CO 0.03 0.51 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.67 2pgc s ARG 119 N -0.19 1.90 0.04 4.92 3.52 -1.26 0.05 118.95 127.92 2pgc s ARG 119 Ca -0.01 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 2pgc s ARG 119 Cb -0.12 -1.69 -0.03 0.00 -1.56 0.00 0.00 34.95 31.56 2pgc s ARG 119 CO 0.02 0.33 -0.04 0.00 -0.81 0.00 0.00 175.30 174.80 2pgc s ALA 120 N -0.15 0.42 -0.16 6.12 0.00 -0.13 -1.02 121.76 126.83 2pgc s ALA 120 Ca -0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2pgc s ALA 120 Cb -0.11 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2pgc s ALA 120 CO 0.02 -0.21 0.18 -1.21 0.00 0.00 0.00 175.76 174.53 2pgc s GLU 121 N -2.53 4.01 0.05 0.00 2.02 0.36 -0.66 118.70 121.95 2pgc s GLU 121 Ca -0.05 -0.10 -0.27 0.00 0.02 0.00 0.00 54.97 54.57 2pgc s GLU 121 Cb -0.03 -3.36 0.08 0.00 0.10 0.00 0.00 34.13 30.93 2pgc s GLU 121 CO -0.04 0.42 0.72 0.00 0.02 0.00 0.00 175.26 176.38 2pgc s ALA 122 N -0.01 -1.72 0.34 5.21 0.00 -1.26 -1.70 121.76 122.61 2pgc s ALA 122 Ca 0.12 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2pgc s ALA 122 Cb -0.12 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2pgc s ALA 122 CO 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 175.76 175.15 2pgc n ALA 123 N 0.02 0.00 0.00 0.00 0.00 -1.26 -4.94 120.51 114.33 2pgc n ALA 123 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2pgc n ALA 123 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.37 0.00 3.41 -1.26 -3.94 113.62 110.46 2pgc n SER 125 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2pgc n SER 125 Cb 0.00 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 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 4.04 -0.26 4.04 9.92 -1.26 -4.59 116.55 128.45 2pgc n ASP 126 Ca 0.00 -2.38 0.06 0.00 -0.53 0.00 0.00 54.79 51.94 2pgc n ASP 126 Cb 0.00 -0.53 0.19 0.00 -0.64 0.00 0.00 41.12 40.15 2pgc n ASP 126 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2pgc h LYS 127 N 3.40 0.37 0.10 -1.24 1.57 -1.97 -0.96 116.57 117.83 2pgc h LYS 127 Ca 0.00 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 2pgc h LYS 127 Cb 1.26 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 33.51 2pgc h LYS 127 CO 0.20 0.24 -1.18 -0.44 -0.57 0.00 0.00 179.45 177.71 2pgc h ASP 128 N 0.38 0.86 -0.65 0.86 3.32 -1.96 -2.25 116.42 116.98 2pgc h ASP 128 Ca 0.43 -0.81 0.10 0.00 0.02 0.00 0.00 57.03 56.76 2pgc h ASP 128 Cb 0.69 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 2pgc h ASP 128 CO -0.45 1.58 0.27 0.11 -1.72 0.00 0.00 179.24 179.04 2pgc h LYS 129 N 0.25 0.46 0.10 3.56 1.57 -1.82 -0.76 116.57 119.93 2pgc h LYS 129 Ca -0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2pgc h LYS 129 Cb 1.85 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 2pgc h LYS 129 CO 0.23 0.30 -0.10 0.35 -0.57 0.00 0.00 179.45 179.66 2pgc h PHE 130 N 0.47 -0.26 -0.45 -1.35 3.04 -1.07 -1.77 116.94 115.54 2pgc h PHE 130 Ca 0.33 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.24 2pgc h PHE 130 Cb 0.40 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 2pgc h PHE 130 CO -0.15 -0.16 0.12 1.25 -2.02 0.00 0.00 178.31 177.35 2pgc h LEU 131 N -0.22 0.62 -0.38 0.59 5.85 -1.17 -1.95 115.31 118.65 2pgc h LEU 131 Ca 0.01 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2pgc h LEU 131 Cb 0.22 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2pgc h LEU 131 CO -0.03 0.62 0.05 0.78 -0.34 0.00 0.00 178.44 179.51 2pgc h ASN 132 N 0.66 0.61 -0.35 1.25 2.35 -0.87 -0.62 115.58 118.61 2pgc h ASN 132 Ca 0.15 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2pgc h ASN 132 Cb 0.24 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2pgc h ASN 132 CO -0.00 0.73 0.20 0.00 -1.65 0.00 0.00 177.43 176.71 2pgc h ILE 134 N 0.41 0.99 -0.16 0.00 1.08 -1.19 -1.33 117.51 117.31 2pgc h ILE 134 Ca 0.14 -0.20 -0.12 0.00 -0.39 0.00 0.00 64.86 64.29 2pgc h ILE 134 Cb 0.01 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 2pgc h ILE 134 CO -0.07 0.11 -0.41 0.78 -0.69 0.00 0.00 178.15 177.87 2pgc h ASN 135 N 0.59 0.40 0.99 1.72 2.35 -0.65 -2.62 115.58 118.37 2pgc h ASN 135 Ca 0.24 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2pgc h ASN 135 Cb 0.11 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2pgc h ASN 135 CO -0.15 0.77 -0.10 0.44 -1.65 0.00 0.00 177.43 176.74 2pgc h ASP 136 N 0.31 0.00 -0.12 5.81 3.32 0.03 -2.93 116.42 122.84 2pgc h ASP 136 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2pgc h ASP 136 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2pgc h ASP 136 CO 0.07 0.10 0.00 0.35 -1.72 0.00 0.00 179.24 178.04 2pgc n THR 137 N -3.24 0.13 -0.34 0.35 -2.24 -0.55 -4.60 114.28 103.79 2pgc n THR 137 Ca 0.00 -0.56 0.18 0.00 -2.27 0.00 0.00 64.05 61.41 2pgc n THR 137 Cb 0.36 1.34 0.42 0.00 -2.10 0.00 0.00 70.33 70.35 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 4.65 1.92 0.00 6.98 0.00 -1.27 0.48 119.26 132.02 2pgc h ALA 138 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2pgc h ALA 138 Cb 0.98 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2pgc h ALA 138 CO 0.00 -0.35 -0.58 0.66 0.00 0.00 0.00 179.25 178.98 2pgc h SER 139 N 0.55 0.00 -0.83 0.00 4.64 -1.83 -2.11 113.55 113.98 2pgc h SER 139 Ca 0.61 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 62.02 2pgc h SER 139 Cb 1.26 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 2pgc h SER 139 CO -0.39 0.58 0.48 0.00 -0.87 0.00 0.00 176.83 176.62 2pgc h PHE 141 N 0.81 -0.21 -0.24 0.00 0.04 -1.47 -3.07 116.94 112.80 2pgc h PHE 141 Ca 0.39 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.14 2pgc h PHE 141 Cb 0.33 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2pgc h PHE 141 CO -0.06 0.21 0.09 -0.22 -0.60 0.00 0.00 178.31 177.73 2pgc h LYS 142 N -0.87 0.36 -0.57 1.51 1.63 -1.29 -0.31 116.57 117.02 2pgc h LYS 142 Ca -0.02 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2pgc h LYS 142 Cb 0.52 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 2pgc h LYS 142 CO 0.04 0.41 0.38 -0.44 -3.45 0.00 0.00 179.45 176.39 2pgc h ASP 143 N 0.23 0.58 -0.50 4.20 5.19 -1.02 -1.95 116.42 123.15 2pgc h ASP 143 Ca 0.08 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2pgc h ASP 143 Cb 0.19 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2pgc h ASP 143 CO -0.01 0.40 0.00 0.59 -3.12 0.00 0.00 179.24 177.11 2pgc n ASN 144 N -4.47 3.05 0.00 6.45 3.02 -0.97 -4.93 115.26 117.42 2pgc n ASN 144 Ca 0.07 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 2pgc n ASN 144 Cb 0.13 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 1.42 0.98 3.72 7.41 0.00 -0.73 -4.58 105.19 113.41 2pgc n GLY 145 Ca 0.19 0.00 -0.40 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 -0.39 1.47 -0.12 4.61 0.00 -0.17 -4.38 120.51 121.53 2pgc n ALA 146 Ca 0.00 0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.40 2pgc n ALA 146 Cb 0.00 -2.31 -0.11 0.00 0.00 0.00 0.00 19.45 17.03 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 -0.20 2.28 -3.97 0.00 4.77 0.42 -4.60 117.00 115.71 2pgc n LEU 147 Ca 0.07 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2pgc n LEU 147 Cb 0.42 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 2pgc n LEU 147 CO 0.57 0.67 -0.36 0.42 -1.33 0.00 0.00 177.39 177.35 2pgc s THR 148 N -2.50 0.14 -0.11 -5.08 -4.23 -1.23 -0.94 115.64 101.69 2pgc s THR 148 Ca -0.36 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.32 2pgc s THR 148 Cb 0.12 -0.26 0.05 0.00 1.34 0.00 0.00 72.50 73.74 2pgc s THR 148 CO 0.55 -0.42 0.10 -0.22 -0.54 0.00 0.00 174.62 174.09 2pgc s LEU 149 N -1.27 0.18 0.11 4.79 0.20 -1.26 -1.11 118.68 120.32 2pgc s LEU 149 Ca -0.13 -0.22 0.09 0.00 0.69 0.00 0.00 54.13 54.56 2pgc s LEU 149 Cb -0.09 -0.10 -0.04 0.00 -0.43 0.00 0.00 46.19 45.54 2pgc s LEU 149 CO -0.01 -0.30 -0.24 -0.13 -0.29 0.00 0.00 176.35 175.39 2pgc s ARG 150 N 2.18 1.30 -0.15 1.98 1.81 0.05 -4.93 118.95 121.18 2pgc s ARG 150 Ca 0.04 -1.22 -0.16 0.00 -1.72 0.00 0.00 55.73 52.67 2pgc s ARG 150 Cb -0.14 -1.65 0.04 0.00 -0.45 0.00 0.00 34.95 32.76 2pgc s ARG 150 CO -0.07 0.39 0.44 0.12 -0.68 0.00 0.00 175.30 175.50 2pgc s PHE 151 N -1.07 -0.47 -1.65 -0.53 5.36 -1.26 -0.89 117.98 117.48 2pgc s PHE 151 Ca 0.10 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 2pgc s PHE 151 Cb -0.10 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 2pgc s PHE 151 CO 0.05 -0.25 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 2pgc n GLY 152 N 2.68 -0.58 3.36 13.12 0.00 -0.77 0.14 105.19 123.14 2pgc n GLY 152 Ca -0.14 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.00 3.15 0.07 1.61 -0.87 -1.26 -0.06 114.94 113.59 2pgc s ASN 153 Ca 0.00 -0.70 -0.31 0.00 -1.57 0.00 0.00 52.86 50.29 2pgc s ASN 153 Cb 0.00 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.25 40.92 2pgc s ASN 153 CO 0.00 0.18 1.69 -0.76 -2.57 0.00 0.00 177.10 175.64 2pgc s LEU 154 N -1.83 4.37 0.16 0.60 1.43 -0.41 -0.93 118.68 122.07 2pgc s LEU 154 Ca 0.12 2.52 0.12 0.00 -1.03 0.00 0.00 54.13 55.87 2pgc s LEU 154 Cb -0.10 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 2pgc s LEU 154 CO 0.05 -0.91 1.22 -0.07 0.23 0.00 0.00 176.35 176.86 2pgc h LEU 155 N 8.68 0.00 -8.61 1.79 3.38 -1.10 -0.72 115.31 118.73 2pgc h LEU 155 Ca -0.43 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.28 2pgc h LEU 155 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 2pgc h LEU 155 CO 0.93 0.72 -0.65 0.42 0.09 0.00 0.00 178.44 179.95 2pgc s THR 156 N -2.84 0.47 0.00 0.22 -4.23 -1.21 -4.84 115.64 103.21 2pgc s THR 156 Ca 0.01 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2pgc s THR 156 Cb 0.09 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2pgc s THR 156 CO 0.79 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2pgc n GLY 157 N -0.22 -3.76 0.01 3.99 0.00 -1.26 -3.95 105.19 100.00 2pgc n GLY 157 Ca -0.05 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 43.95 2pgc n GLY 157 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pgc n SER 158 N -0.00 0.06 -0.87 1.61 7.64 -1.26 -2.26 113.62 118.54 2pgc n SER 158 Ca 0.00 0.51 0.03 0.00 1.01 0.00 0.00 58.87 60.42 2pgc n SER 158 Cb 0.00 -0.53 0.21 0.00 -1.01 0.00 0.00 64.21 62.88 2pgc n SER 158 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2pgc n ASN 159 N -1.57 2.84 -4.61 6.43 4.13 -1.26 -5.05 115.26 116.17 2pgc n ASN 159 Ca 0.04 -3.45 -0.48 0.00 1.68 0.00 0.00 54.58 52.38 2pgc n ASN 159 Cb 0.22 -0.57 -0.04 0.00 -1.54 0.00 0.00 39.78 37.86 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 -0.98 0.66 0.00 2.41 3.14 -0.96 -1.21 118.33 121.40 2pgc n VAL 160 Ca 0.26 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2pgc n VAL 160 Cb 0.90 -1.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 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 2.27 2.93 3.62 7.55 0.00 -0.28 -4.98 105.19 116.30 2pgc n GLY 161 Ca 0.15 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 0.15 0.99 -4.80 1.61 5.03 -0.35 -4.64 115.26 113.26 2pgc n ASN 162 Ca 0.00 0.87 -0.35 0.00 0.87 0.00 0.00 54.58 55.98 2pgc n ASN 162 Cb 0.00 -1.39 -0.07 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 -1.45 3.45 -0.03 3.10 1.51 0.16 -1.29 117.35 122.81 2pgc s TYR 163 Ca 0.72 1.68 0.01 0.00 -1.01 0.00 0.00 57.07 58.47 2pgc s TYR 163 Cb -0.45 -2.89 0.01 0.00 -0.11 0.00 0.00 41.96 38.52 2pgc s TYR 163 CO 0.50 -0.01 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.71 2pgc s LEU 164 N -2.73 1.54 -0.07 -1.29 2.96 0.92 -0.95 118.68 119.06 2pgc s LEU 164 Ca 0.57 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 2pgc s LEU 164 Cb -0.13 -0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.18 2pgc s LEU 164 CO 0.18 -0.01 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.79 2pgc s LEU 165 N 0.56 1.88 -0.09 -0.68 2.96 0.11 -1.84 118.68 121.58 2pgc s LEU 165 Ca -0.07 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2pgc s LEU 165 Cb -0.11 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.49 2pgc s LEU 165 CO -0.00 0.11 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.09 2pgc s GLY 166 N 0.38 1.23 -0.05 7.98 0.00 -0.07 -0.39 107.32 116.40 2pgc s GLY 166 Ca -0.14 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.72 2pgc s GLY 166 CO 0.05 -0.27 -0.06 0.14 0.00 0.00 0.00 173.10 172.96 2pgc s VAL 167 N 0.36 0.66 0.09 1.40 1.01 -0.74 -0.77 120.40 122.41 2pgc s VAL 167 Ca -0.17 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 2pgc s VAL 167 Cb -0.17 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 2pgc s VAL 167 CO 0.08 0.26 0.48 -0.83 0.00 0.00 0.00 175.10 175.09 2pgc s GLY 168 N 1.01 2.46 0.03 4.51 0.00 -0.27 -1.07 107.32 113.99 2pgc s GLY 168 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2pgc s GLY 168 CO -0.00 0.11 -0.04 -0.19 0.00 0.00 0.00 173.10 172.98 2pgc s TYR 169 N -1.32 0.36 -0.41 1.90 2.02 0.11 -0.43 117.35 119.57 2pgc s TYR 169 Ca 0.32 -0.55 0.23 0.00 -0.37 0.00 0.00 57.07 56.70 2pgc s TYR 169 Cb -0.16 -0.25 0.29 0.00 -0.40 0.00 0.00 41.96 41.45 2pgc s TYR 169 CO 0.18 -0.18 1.54 -1.00 -1.57 0.00 0.00 175.55 174.52 2pgc h PRO 170 N 4.54 0.00 0.00 -1.71 0.13 -1.84 0.32 132.00 133.44 2pgc h PRO 170 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.42 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.07 2pgc n SER 171 N -3.05 0.28 0.00 1.44 3.41 -1.26 -4.51 113.62 109.93 2pgc n SER 171 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2pgc n SER 171 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.02 4.33 2.13 -1.26 -2.66 120.64 123.16 2pgc n GLU 173 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 2pgc n GLU 173 Cb 0.00 0.00 0.34 0.00 0.27 0.00 0.00 31.44 32.05 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 1.52 -0.07 4.31 0.00 -1.97 0.08 119.26 123.13 2pgc h ALA 174 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2pgc h ALA 174 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2pgc h ALA 174 CO 0.00 0.38 0.01 0.82 0.00 0.00 0.00 179.25 180.46 2pgc h ILE 175 N 0.57 1.20 -0.27 0.00 2.04 -1.80 -1.46 117.51 117.80 2pgc h ILE 175 Ca 0.14 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.43 2pgc h ILE 175 Cb 0.13 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2pgc h ILE 175 CO -0.01 0.17 -0.11 -0.08 0.00 0.00 0.00 178.15 178.12 2pgc h GLU 176 N -0.11 -0.06 -0.63 2.37 4.81 -1.65 -1.51 114.58 117.80 2pgc h GLU 176 Ca 0.02 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2pgc h GLU 176 Cb 0.26 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2pgc h GLU 176 CO 0.00 -0.04 0.10 0.87 -0.73 0.00 0.00 179.01 179.21 2pgc h LYS 177 N -0.06 1.03 -0.17 1.92 1.79 -0.98 -0.22 116.57 119.87 2pgc h LYS 177 Ca 0.14 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2pgc h LYS 177 Cb 0.27 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2pgc h LYS 177 CO -0.31 0.95 0.10 1.15 -1.08 0.00 0.00 179.45 180.26 2pgc h THR 178 N 0.96 1.03 -0.01 -0.16 2.02 -0.98 -2.57 112.91 113.20 2pgc h THR 178 Ca 0.19 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 67.15 2pgc h THR 178 Cb 0.43 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2pgc h THR 178 CO 0.01 0.04 -0.69 1.88 0.37 0.00 0.00 175.52 177.13 2pgc h TYR 179 N 0.22 0.06 -0.30 3.16 0.05 -1.00 0.14 116.97 119.30 2pgc h TYR 179 Ca 0.06 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.87 2pgc h TYR 179 Cb -0.01 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 2pgc h TYR 179 CO -0.07 0.72 -0.05 -0.44 -1.05 0.00 0.00 178.16 177.27 2pgc h ASP 180 N 0.03 -0.22 -0.08 3.88 3.32 -0.92 -2.27 116.42 120.16 2pgc h ASP 180 Ca -0.01 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 2pgc h ASP 180 Cb 1.22 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2pgc h ASP 180 CO 0.09 -0.07 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.16 2pgc h GLU 181 N 0.03 0.35 -0.47 3.56 4.81 -1.20 -3.35 114.58 118.30 2pgc h GLU 181 Ca 0.14 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2pgc h GLU 181 Cb 0.21 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2pgc h GLU 181 CO -0.28 0.89 0.31 1.25 -0.73 0.00 0.00 179.01 180.45 2pgc h LEU 182 N -0.13 0.55 -2.02 1.64 5.85 -0.59 -2.14 115.31 118.46 2pgc h LEU 182 Ca -0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2pgc h LEU 182 Cb 0.93 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2pgc h LEU 182 CO 0.06 0.40 0.01 -0.07 -0.34 0.00 0.00 178.44 178.51 2pgc h LEU 183 N 0.64 0.00 -3.96 2.25 3.38 -1.56 -2.55 115.31 113.50 2pgc h LEU 183 Ca 0.17 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.58 2pgc h LEU 183 Cb -0.06 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.39 2pgc h LEU 183 CO -0.04 0.00 0.67 0.00 0.09 0.00 0.00 178.44 179.16 2pgc n ALA 184 N -2.53 5.80 -2.92 1.53 0.00 -0.81 -4.74 120.51 116.84 2pgc n ALA 184 Ca -0.03 -3.15 -0.31 0.00 0.00 0.00 0.00 53.44 49.96 2pgc n ALA 184 Cb 0.10 -1.51 -0.17 0.00 0.00 0.00 0.00 19.45 17.88 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 -3.50 2.40 0.21 0.00 5.04 -0.96 -5.05 115.29 113.43 2pgc s HIS 185 Ca 0.59 -0.81 -0.10 0.00 -1.54 0.00 0.00 55.06 53.21 2pgc s HIS 185 Cb 0.49 -1.59 0.22 0.00 0.04 0.00 0.00 32.58 31.73 2pgc s HIS 185 CO 0.06 -0.28 1.82 0.66 -2.34 0.00 0.00 174.74 174.66 2pgc h SER 186 N 6.30 0.59 -0.32 9.88 4.64 -1.92 -1.64 113.55 131.08 2pgc h SER 186 Ca -0.28 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2pgc h SER 186 Cb 1.20 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2pgc h SER 186 CO 0.47 0.39 0.21 0.28 -0.87 0.00 0.00 176.83 177.31 2pgc h SER 187 N 0.72 0.38 0.19 4.97 0.02 -1.94 0.14 113.55 118.04 2pgc h SER 187 Ca 0.29 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2pgc h SER 187 Cb 0.13 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2pgc h SER 187 CO -0.16 0.28 -0.09 0.22 -1.14 0.00 0.00 176.83 175.94 2pgc h TYR 188 N 0.45 -0.24 -0.91 3.45 3.20 -1.58 -1.48 116.97 119.86 2pgc h TYR 188 Ca 0.12 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.16 2pgc h TYR 188 Cb -0.04 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 2pgc h TYR 188 CO 0.00 0.11 0.59 0.87 -1.64 0.00 0.00 178.16 178.09 2pgc h LYS 189 N -0.61 0.57 -0.41 1.82 1.57 -1.11 -0.65 116.57 117.75 2pgc h LYS 189 Ca -0.03 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 2pgc h LYS 189 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2pgc h LYS 189 CO 0.04 0.38 -0.08 1.49 -0.57 0.00 0.00 179.45 180.72 2pgc h GLU 190 N 0.59 0.78 -2.00 3.15 4.81 -0.91 -3.26 114.58 117.74 2pgc h GLU 190 Ca 0.48 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2pgc h GLU 190 Cb 0.92 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2pgc h GLU 190 CO -0.22 0.90 0.00 -0.11 -0.73 0.00 0.00 179.01 178.85 2pgc n LEU 191 N -4.34 0.12 0.00 1.64 7.94 -0.25 -3.94 117.00 118.16 2pgc n LEU 191 Ca -0.01 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2pgc n LEU 191 Cb 0.35 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.27 2pgc n LEU 191 CO 0.42 0.02 0.00 0.35 -1.11 0.00 0.00 177.39 177.08 2pgc n THR 193 N 1.86 0.00 -0.64 1.96 -2.24 -1.23 -1.05 114.28 112.94 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 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.95 4.78 1.16 -1.25 -5.06 117.46 113.14 2pgc n PHE 194 Ca 0.00 -0.12 -0.14 0.00 -1.87 0.00 0.00 57.45 55.31 2pgc n PHE 194 Cb 0.00 -0.01 -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 -0.25 0.19 -0.20 1.98 0.00 -0.22 -4.53 121.76 118.74 2pgc s ALA 195 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 2pgc s ALA 195 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2pgc s ALA 195 CO 0.00 0.00 -0.10 0.21 0.00 0.00 0.00 175.76 175.87 2pgc s LYS 196 N 0.32 3.24 0.08 0.00 2.47 -0.69 -4.94 119.74 120.21 2pgc s LYS 196 Ca -0.03 -0.70 -0.31 0.00 -1.56 0.00 0.00 55.97 53.37 2pgc s LYS 196 Cb -0.05 -2.84 -0.07 0.00 -1.46 0.00 0.00 37.83 33.41 2pgc s LYS 196 CO -0.01 -0.20 1.30 0.08 0.16 0.00 0.00 175.35 176.69 2pgc s VAL 197 N 1.39 3.68 -0.17 4.02 1.01 -1.26 -0.49 120.40 128.59 2pgc s VAL 197 Ca 0.05 1.20 0.16 0.00 0.00 0.00 0.00 61.98 63.39 2pgc s VAL 197 Cb -0.14 -3.77 0.42 0.00 0.00 0.00 0.00 36.38 32.89 2pgc s VAL 197 CO -0.07 0.08 1.30 -0.46 0.00 0.00 0.00 175.10 175.95 2pgc n ASN 198 N 4.09 2.91 -3.64 3.32 0.23 -0.19 -4.94 115.26 117.04 2pgc n ASN 198 Ca 0.10 -3.20 -0.05 0.00 -0.53 0.00 0.00 54.58 50.91 2pgc n ASN 198 Cb 0.44 -0.51 -0.07 0.00 -2.08 0.00 0.00 39.78 37.57 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 -2.93 0.38 0.03 -3.83 3.52 -1.26 -5.00 118.95 109.87 2pgc s ARG 200 Ca 0.38 0.56 -0.16 0.00 -0.13 0.00 0.00 55.73 56.37 2pgc s ARG 200 Cb 0.33 0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.87 2pgc s ARG 200 CO 0.04 -0.06 0.37 -0.80 -0.81 0.00 0.00 175.30 174.03 2pgc s ASN 201 N 0.82 -0.22 -0.13 -2.12 0.01 -0.48 -4.84 114.94 107.98 2pgc s ASN 201 Ca -0.03 -0.04 -0.06 0.00 -0.71 0.00 0.00 52.86 52.02 2pgc s ASN 201 Cb -0.04 0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.97 2pgc s ASN 201 CO -0.12 -0.61 0.08 -0.63 -1.51 0.00 0.00 177.10 174.32 2pgc s ILE 202 N -2.29 5.02 -0.11 0.60 1.01 -1.26 -1.46 121.20 122.70 2pgc s ILE 202 Ca -0.07 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.62 2pgc s ILE 202 Cb -0.01 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2pgc s ILE 202 CO -0.01 0.56 -0.13 -0.63 0.00 0.00 0.00 174.94 174.73 2pgc s ILE 203 N -0.54 3.14 -0.38 2.92 1.01 0.11 -0.09 121.20 127.36 2pgc s ILE 203 Ca 0.11 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 59.97 2pgc s ILE 203 Cb -0.12 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.06 2pgc s ILE 203 CO 0.02 0.54 0.30 -0.75 0.00 0.00 0.00 174.94 175.05 2pgc s LYS 204 N 0.03 3.25 0.18 2.79 2.20 -0.01 -1.16 119.74 127.01 2pgc s LYS 204 Ca -0.04 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 54.48 2pgc s LYS 204 Cb -0.14 -3.89 -0.10 0.00 -1.51 0.00 0.00 37.83 32.18 2pgc s LYS 204 CO 0.04 -0.62 1.55 0.42 -0.36 0.00 0.00 175.35 176.38 2pgc s ILE 205 N 1.79 2.63 -2.39 5.43 -1.09 -0.50 -1.67 121.20 125.40 2pgc s ILE 205 Ca 0.07 0.46 0.19 0.00 -2.23 0.00 0.00 60.65 59.14 2pgc s ILE 205 Cb -0.18 -3.29 0.15 0.00 -1.58 0.00 0.00 42.46 37.56 2pgc s ILE 205 CO 0.11 0.04 1.11 0.18 -1.23 0.00 0.00 174.94 175.14