#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyc s ALA 2 N 0.00 3.14 -0.84 0.62 0.00 -1.26 -4.72 121.76 118.70 2jyc s ALA 2 Ca 0.00 -1.88 0.07 0.00 0.00 0.00 0.00 51.96 50.15 2jyc s ALA 2 Cb 0.00 -3.84 0.09 0.00 0.00 0.00 0.00 23.12 19.37 2jyc s ALA 2 CO 0.00 -2.75 0.83 -1.13 0.00 0.00 0.00 175.76 172.71 2jyc n SER 3 N 7.60 1.83 0.04 0.00 3.41 -1.26 -4.63 113.62 120.60 2jyc n SER 3 Ca -0.04 -1.46 0.13 0.00 -0.26 0.00 0.00 58.87 57.24 2jyc n SER 3 Cb 0.45 -0.03 0.39 0.00 -0.26 0.00 0.00 64.21 64.75 2jyc n SER 3 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jyc n SER 4 N 0.36 0.46 -4.54 4.04 7.64 -1.26 -4.48 113.62 115.84 2jyc n SER 4 Ca 0.05 0.26 -0.43 0.00 1.01 0.00 0.00 58.87 59.76 2jyc n SER 4 Cb 0.22 -0.25 -0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2jyc n SER 4 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jyc s LEU 5 N -3.63 4.23 -0.37 -3.43 1.43 -1.26 -4.55 118.68 111.11 2jyc s LEU 5 Ca 0.11 -2.61 0.07 0.00 -1.03 0.00 0.00 54.13 50.67 2jyc s LEU 5 Cb 0.16 -2.52 0.19 0.00 0.03 0.00 0.00 46.19 44.04 2jyc s LEU 5 CO 0.63 -1.04 0.62 0.21 0.23 0.00 0.00 176.35 177.00 2jyc s ASN 6 N 3.78 -1.57 0.22 2.29 3.84 -1.26 -5.16 114.94 117.09 2jyc s ASN 6 Ca 0.50 -0.45 0.05 0.00 0.21 0.00 0.00 52.86 53.17 2jyc s ASN 6 Cb 0.02 1.99 -0.05 0.00 -0.55 0.00 0.00 41.25 42.65 2jyc s ASN 6 CO 0.05 -0.21 -0.06 -1.83 -2.79 0.00 0.00 177.10 172.26 2jyc s GLU 7 N 2.18 1.34 -0.31 0.43 1.03 -1.26 -5.10 118.70 117.00 2jyc s GLU 7 Ca 0.14 -1.65 0.03 0.00 0.03 0.00 0.00 54.97 53.53 2jyc s GLU 7 Cb -0.06 -0.83 0.09 0.00 -0.80 0.00 0.00 34.13 32.52 2jyc s GLU 7 CO -0.13 0.02 0.01 -0.51 -1.33 0.00 0.00 175.26 173.31 2jyc s ASP 8 N -3.32 4.55 1.07 0.83 1.01 -1.26 -5.12 116.67 114.44 2jyc s ASP 8 Ca 0.25 -1.85 -0.13 0.00 0.71 0.00 0.00 52.55 51.53 2jyc s ASP 8 Cb 0.04 -1.51 0.18 0.00 1.01 0.00 0.00 42.92 42.64 2jyc s ASP 8 CO 0.08 -0.33 0.87 -0.81 0.21 0.00 0.00 175.17 175.20 2jyc n PRO 9 N 4.38 -1.55 -2.53 8.23 -0.04 -1.26 -4.75 135.00 137.47 2jyc n PRO 9 Ca -0.02 -1.37 -0.05 0.00 -0.04 0.00 0.00 63.50 62.02 2jyc n PRO 9 Cb 0.42 -1.04 0.01 0.00 -0.04 0.00 0.00 33.50 32.85 2jyc n PRO 9 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jyc n GLU 10 N -3.34 -1.70 0.00 0.54 2.13 -1.26 -5.03 120.64 111.98 2jyc n GLU 10 Ca 0.11 1.67 0.00 0.00 0.66 0.00 0.00 57.16 59.60 2jyc n GLU 10 Cb 0.41 -4.65 0.00 0.00 0.27 0.00 0.00 31.44 27.47 2jyc n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jyc n GLY 11 N -0.49 -0.06 0.50 8.31 0.00 -1.26 -5.17 105.19 107.03 2jyc n GLY 11 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 2jyc n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jyc n SER 12 N -1.20 -0.24 -0.12 1.61 2.88 -1.26 -5.01 113.62 110.28 2jyc n SER 12 Ca 0.00 -1.13 -0.10 0.00 -1.33 0.00 0.00 58.87 56.30 2jyc n SER 12 Cb 0.00 0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 2jyc n SER 12 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jyc h ARG 13 N 0.00 0.58 -6.02 -1.46 2.47 -1.91 -3.42 114.38 104.62 2jyc h ARG 13 Ca -0.04 -0.15 -0.56 0.00 -1.26 0.00 0.00 59.98 57.97 2jyc h ARG 13 Cb 0.16 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.36 2jyc h ARG 13 CO 0.05 0.65 0.06 0.42 0.56 0.00 0.00 179.97 181.71 2jyc s ILE 14 N -5.19 5.04 -0.15 2.04 1.01 -1.25 -0.13 121.20 122.56 2jyc s ILE 14 Ca -0.13 1.39 0.02 0.00 0.00 0.00 0.00 60.65 61.92 2jyc s ILE 14 Cb 0.09 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.56 2jyc s ILE 14 CO 0.76 0.28 -0.20 -0.89 0.00 0.00 0.00 174.94 174.89 2jyc s THR 15 N 0.66 1.99 -0.11 2.92 2.01 0.10 -4.95 115.64 118.26 2jyc s THR 15 Ca 0.36 -0.92 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 2jyc s THR 15 Cb -0.18 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 2jyc s THR 15 CO 0.17 0.53 0.71 -0.31 -0.69 0.00 0.00 174.62 175.04 2jyc s TYR 16 N 1.00 3.51 -0.00 4.92 2.02 -1.26 -0.16 117.35 127.37 2jyc s TYR 16 Ca -0.03 1.19 0.04 0.00 -0.37 0.00 0.00 57.07 57.89 2jyc s TYR 16 Cb -0.15 -2.84 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 2jyc s TYR 16 CO -0.06 -0.02 -0.12 0.08 -1.57 0.00 0.00 175.55 173.87 2jyc s VAL 17 N 1.25 0.91 -0.27 0.71 1.01 0.68 -4.94 120.40 119.75 2jyc s VAL 17 Ca 0.36 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2jyc s VAL 17 Cb -0.17 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.46 2jyc s VAL 17 CO 0.16 0.21 -0.01 -1.59 0.00 0.00 0.00 175.10 173.86 2jyc s LYS 18 N -0.41 2.79 0.00 2.72 -2.85 -1.26 -0.44 119.74 120.29 2jyc s LYS 18 Ca 0.04 -1.02 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 2jyc s LYS 18 Cb -0.05 -3.12 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 2jyc s LYS 18 CO -0.00 -0.47 0.00 0.41 0.10 0.00 0.00 175.35 175.39 2jyc n GLY 19 N 4.70 -0.63 3.85 0.59 0.00 -1.26 -4.98 105.19 107.46 2jyc n GLY 19 Ca -0.15 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2jyc n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jyc s ASP 20 N -4.00 6.61 0.01 1.61 2.15 -1.26 -4.74 116.67 117.05 2jyc s ASP 20 Ca 0.00 0.73 0.25 0.00 0.43 0.00 0.00 52.55 53.96 2jyc s ASP 20 Cb 0.00 -2.17 0.53 0.00 -0.30 0.00 0.00 42.92 40.98 2jyc s ASP 20 CO 0.00 0.35 1.43 -0.11 -0.17 0.00 0.00 175.17 176.67 2jyc n LEU 21 N 1.98 0.49 -0.09 -1.34 0.00 -1.26 -3.00 117.00 113.78 2jyc n LEU 21 Ca -0.16 0.05 0.14 0.00 0.00 0.00 0.00 56.01 56.03 2jyc n LEU 21 Cb 0.53 -0.26 0.61 0.00 0.00 0.00 0.00 43.42 44.31 2jyc n LEU 21 CO 0.35 0.10 0.87 0.49 0.00 0.00 0.00 177.39 179.21 2jyc n PHE 22 N -1.55 0.00 0.33 1.96 3.72 -1.26 -2.98 117.46 117.68 2jyc n PHE 22 Ca 0.05 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.51 2jyc n PHE 22 Cb 0.35 -0.21 0.20 0.00 -0.94 0.00 0.00 39.48 38.87 2jyc n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jyc n ALA 23 N -1.05 2.84 -1.71 4.37 0.00 -1.16 -4.87 120.51 118.93 2jyc n ALA 23 Ca 0.14 -0.89 -0.38 0.00 0.00 0.00 0.00 53.44 52.31 2jyc n ALA 23 Cb 0.28 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 18.77 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc s PRO 25 N -3.12 3.63 0.20 0.00 0.04 -1.26 -4.56 135.00 129.93 2jyc s PRO 25 Ca 0.79 1.24 0.22 0.00 0.04 0.00 0.00 61.00 63.28 2jyc s PRO 25 Cb -0.40 -2.08 0.91 0.00 0.04 0.00 0.00 34.50 32.97 2jyc s PRO 25 CO 0.44 -0.56 1.66 0.36 0.04 0.00 0.00 177.00 178.94 2jyc n LYS 26 N -1.47 0.16 0.14 4.56 -0.00 -1.26 -2.94 118.16 117.34 2jyc n LYS 26 Ca 0.09 0.38 0.13 0.00 -0.00 0.00 0.00 58.31 58.91 2jyc n LYS 26 Cb 0.53 -1.79 0.42 0.00 -0.00 0.00 0.00 35.03 34.18 2jyc n LYS 26 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2jyc h THR 27 N 0.00 0.00 -1.84 0.58 1.35 -1.95 -3.46 112.91 107.60 2jyc h THR 27 Ca 0.00 -0.47 -0.48 0.00 -0.55 0.00 0.00 66.41 64.91 2jyc h THR 27 Cb 0.35 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 2jyc h THR 27 CO 0.00 0.00 -0.42 1.51 -0.25 0.00 0.00 175.52 176.36 2jyc s ASP 28 N -4.71 5.45 0.26 5.36 1.47 -1.15 -4.69 116.67 118.65 2jyc s ASP 28 Ca 0.08 -0.42 0.06 0.00 1.18 0.00 0.00 52.55 53.45 2jyc s ASP 28 Cb 0.10 -1.03 -0.03 0.00 -0.34 0.00 0.00 42.92 41.62 2jyc s ASP 28 CO 0.55 -0.37 0.30 -0.44 0.68 0.00 0.00 175.17 175.89 2jyc s SER 29 N -4.04 5.91 -0.00 2.11 0.01 0.36 -4.76 113.70 113.29 2jyc s SER 29 Ca 0.42 -0.12 0.08 0.00 1.31 0.00 0.00 55.95 57.64 2jyc s SER 29 Cb -0.07 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.58 2jyc s SER 29 CO 0.28 -0.11 -0.24 -0.22 0.41 0.00 0.00 173.24 173.36 2jyc s LEU 30 N -3.95 2.07 0.04 2.44 0.20 -0.16 -0.27 118.68 119.06 2jyc s LEU 30 Ca 0.35 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.73 2jyc s LEU 30 Cb -0.08 -1.20 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 2jyc s LEU 30 CO 0.27 0.27 -0.05 0.00 -0.29 0.00 0.00 176.35 176.56 2jyc s ALA 31 N -0.61 0.45 0.06 5.97 0.00 0.80 0.48 121.76 128.91 2jyc s ALA 31 Ca 0.09 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.94 2jyc s ALA 31 Cb -0.09 0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.25 2jyc s ALA 31 CO -0.00 -0.15 1.02 -3.38 0.00 0.00 0.00 175.76 173.24 2jyc s HIS 32 N -2.06 -0.17 -0.03 0.00 -3.43 0.31 -4.08 115.29 105.83 2jyc s HIS 32 Ca -0.07 -0.03 -0.04 0.00 -0.80 0.00 0.00 55.06 54.11 2jyc s HIS 32 Cb -0.05 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.64 2jyc s HIS 32 CO -0.02 -0.61 0.18 0.00 -2.00 0.00 0.00 174.74 172.29 2jyc s ILE 34 N -1.25 0.00 0.23 0.00 -4.36 0.33 -4.79 121.20 111.36 2jyc s ILE 34 Ca 0.25 -1.76 -0.04 0.00 -0.26 0.00 0.00 60.65 58.84 2jyc s ILE 34 Cb -0.13 -2.41 -0.05 0.00 1.25 0.00 0.00 42.46 41.13 2jyc s ILE 34 CO 0.15 0.00 0.46 -0.94 0.24 0.00 0.00 174.94 174.86 2jyc s SER 35 N -3.13 6.44 0.63 4.36 1.04 -1.26 -2.61 113.70 119.17 2jyc s SER 35 Ca 0.33 0.59 0.42 0.00 0.48 0.00 0.00 55.95 57.76 2jyc s SER 35 Cb 0.04 -2.09 2.13 0.00 0.10 0.00 0.00 66.02 66.20 2jyc s SER 35 CO 0.12 -0.09 2.26 1.05 0.98 0.00 0.00 173.24 177.56 2jyc h GLU 36 N 2.02 0.00 0.00 4.02 -0.00 -1.45 -0.28 114.58 118.89 2jyc h GLU 36 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 2jyc h GLU 36 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 2jyc h GLU 36 CO 0.68 0.00 0.00 -3.47 -0.00 0.00 0.00 179.01 176.22 2jyc n ASP 37 N -3.08 0.33 0.00 3.06 2.03 -1.22 -4.82 116.55 112.85 2jyc n ASP 37 Ca -0.02 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2jyc n ASP 37 Cb 0.14 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jyc h ARG 39 N 0.45 0.19 0.00 0.00 -0.00 -1.91 -3.47 114.38 109.64 2jyc h ARG 39 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 2jyc h ARG 39 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 2jyc h ARG 39 CO 0.00 0.40 0.00 -1.33 -0.00 0.00 0.00 179.97 179.04 2jyc n MET 40 N -4.22 0.00 0.00 0.08 2.81 -1.26 -4.80 117.12 109.73 2jyc n MET 40 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2jyc n MET 40 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.83 2jyc n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jyc n GLY 41 N 0.00 1.90 3.25 3.03 0.00 -1.26 -4.81 105.19 107.29 2jyc n GLY 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jyc n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc s ALA 42 N -0.56 1.43 0.00 4.61 0.00 -1.26 -4.84 121.76 121.14 2jyc s ALA 42 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2jyc s ALA 42 Cb 0.00 1.31 0.00 0.00 0.00 0.00 0.00 23.12 24.43 2jyc s ALA 42 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2jyc n GLY 43 N -0.38 0.22 0.11 0.00 0.00 -1.26 -2.48 105.19 101.40 2jyc n GLY 43 Ca 0.02 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.26 2jyc n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jyc h ILE 44 N 0.00 0.00 -0.51 -0.61 2.10 -1.99 -3.30 117.51 113.21 2jyc h ILE 44 Ca 0.00 -0.51 -0.04 0.00 1.08 0.00 0.00 64.86 65.39 2jyc h ILE 44 Cb 0.00 1.49 -0.02 0.00 -1.09 0.00 0.00 36.82 37.20 2jyc h ILE 44 CO 0.00 0.00 0.15 0.00 -1.08 0.00 0.00 178.15 177.22 2jyc h ALA 45 N 2.49 0.66 -0.40 0.18 0.00 -1.85 -2.48 119.26 117.86 2jyc h ALA 45 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2jyc h ALA 45 Cb 0.75 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2jyc h ALA 45 CO 0.00 0.33 0.27 -0.24 0.00 0.00 0.00 179.25 179.61 2jyc h VAL 46 N 0.69 1.09 -0.58 0.00 3.04 -1.56 0.42 116.25 119.36 2jyc h VAL 46 Ca 0.16 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 2jyc h VAL 46 Cb 0.29 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 30.06 2jyc h VAL 46 CO -0.00 0.10 0.24 -0.07 -1.01 0.00 0.00 177.57 176.82 2jyc h LEU 47 N 0.53 0.75 -0.21 3.16 3.38 -1.63 0.45 115.31 121.75 2jyc h LEU 47 Ca 0.15 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 2jyc h LEU 47 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2jyc h LEU 47 CO -0.03 0.67 -0.92 -0.26 0.09 0.00 0.00 178.44 177.98 2jyc h PHE 48 N 0.82 0.20 0.16 1.13 -1.00 -0.74 0.15 116.94 117.67 2jyc h PHE 48 Ca 0.20 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 2jyc h PHE 48 Cb 0.14 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.69 2jyc h PHE 48 CO 0.01 0.98 -0.08 -0.22 -1.61 0.00 0.00 178.31 177.39 2jyc h LYS 49 N 0.06 -0.21 -0.62 1.51 3.11 -0.79 0.11 116.57 119.74 2jyc h LYS 49 Ca -0.04 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.86 2jyc h LYS 49 Cb 1.59 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 32.82 2jyc h LYS 49 CO 0.13 -0.10 0.36 0.87 -2.81 0.00 0.00 179.45 177.90 2jyc h LYS 50 N -0.26 0.66 -0.05 1.90 1.57 -0.83 0.94 116.57 120.50 2jyc h LYS 50 Ca -0.02 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2jyc h LYS 50 Cb 0.20 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.37 2jyc h LYS 50 CO 0.04 0.44 -0.37 0.87 -0.57 0.00 0.00 179.45 179.86 2jyc h LYS 51 N 0.68 0.34 0.00 3.15 1.79 -0.52 -3.40 116.57 118.62 2jyc h LYS 51 Ca 0.26 -0.30 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 2jyc h LYS 51 Cb 0.10 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2jyc h LYS 51 CO -0.14 0.95 -1.58 1.19 -1.08 0.00 0.00 179.45 178.80 2jyc n PHE 52 N -4.39 0.00 -2.22 -1.35 3.72 0.35 -4.99 117.46 108.58 2jyc n PHE 52 Ca -0.09 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.12 2jyc n PHE 52 Cb 0.54 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 2jyc n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jyc n GLY 53 N 2.05 0.01 1.50 1.37 0.00 0.32 -4.85 105.19 105.59 2jyc n GLY 53 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2jyc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyc n GLY 54 N -0.84 2.91 0.22 -0.02 0.00 -1.26 -4.36 105.19 101.84 2jyc n GLY 54 Ca -0.22 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 2jyc n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jyc h VAL 55 N 0.67 1.31 -0.29 1.61 2.07 -1.91 -1.94 116.25 117.77 2jyc h VAL 55 Ca 0.13 -1.70 -0.18 0.00 0.82 0.00 0.00 66.70 65.77 2jyc h VAL 55 Cb 1.14 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2jyc h VAL 55 CO 0.29 0.53 -0.52 1.56 0.02 0.00 0.00 177.57 179.46 2jyc h GLN 56 N 0.46 0.83 -0.13 1.57 7.50 -1.98 0.20 115.11 123.57 2jyc h GLN 56 Ca 0.02 -0.51 -0.06 0.00 0.50 0.00 0.00 58.65 58.60 2jyc h GLN 56 Cb 1.02 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.59 2jyc h GLN 56 CO 0.09 1.14 -0.21 0.93 -1.50 0.00 0.00 178.83 179.29 2jyc h GLU 57 N 0.65 0.21 0.05 1.46 5.08 -1.86 0.32 114.58 120.49 2jyc h GLU 57 Ca 0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jyc h GLU 57 Cb 1.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2jyc h GLU 57 CO 0.11 0.42 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.45 2jyc h LEU 58 N 0.20 -0.06 -1.46 1.33 3.38 -0.98 -3.20 115.31 114.52 2jyc h LEU 58 Ca 0.04 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2jyc h LEU 58 Cb 0.48 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jyc h LEU 58 CO 0.03 0.59 -0.02 -0.07 0.09 0.00 0.00 178.44 179.06 2jyc h LEU 59 N -0.75 0.30 -0.98 1.67 3.38 -0.35 -0.96 115.31 117.61 2jyc h LEU 59 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jyc h LEU 59 Cb 0.63 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jyc h LEU 59 CO 0.01 0.37 0.00 0.78 0.09 0.00 0.00 178.44 179.69 2jyc h ASN 60 N 0.32 0.00 0.77 -0.43 2.35 -0.47 -2.75 115.58 115.37 2jyc h ASN 60 Ca 0.07 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.62 2jyc h ASN 60 Cb 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2jyc h ASN 60 CO 0.01 0.00 -0.94 1.56 -1.65 0.00 0.00 177.43 176.41 2jyc h GLN 61 N 0.00 0.10 -5.90 0.81 4.20 -1.17 -3.49 115.11 109.65 2jyc h GLN 61 Ca 0.00 -0.13 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 2jyc h GLN 61 Cb 0.47 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.30 2jyc h GLN 61 CO 0.00 0.96 -0.89 1.04 -0.67 0.00 0.00 178.83 179.27 2jyc n GLN 62 N -3.53 -2.12 -4.04 1.46 6.02 -1.04 -5.02 117.38 109.11 2jyc n GLN 62 Ca -0.02 1.78 -0.23 0.00 -0.01 0.00 0.00 57.00 58.52 2jyc n GLN 62 Cb 0.86 -3.73 -0.06 0.00 1.02 0.00 0.00 30.24 28.33 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jyc s LYS 63 N -2.33 2.46 0.30 -1.09 -0.14 -1.26 -5.13 119.74 112.53 2jyc s LYS 63 Ca 0.27 -1.48 0.03 0.00 -1.36 0.00 0.00 55.97 53.43 2jyc s LYS 63 Cb -0.05 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.82 2jyc s LYS 63 CO 0.75 0.12 0.15 0.15 -0.76 0.00 0.00 175.35 175.76 2jyc s LYS 64 N -3.87 1.56 -0.28 1.68 -0.14 -1.26 -4.74 119.74 112.68 2jyc s LYS 64 Ca 0.38 -1.88 -0.37 0.00 -1.36 0.00 0.00 55.97 52.73 2jyc s LYS 64 Cb -0.03 -0.13 -0.13 0.00 -1.68 0.00 0.00 37.83 35.85 2jyc s LYS 64 CO 0.23 -0.42 1.96 0.43 -0.76 0.00 0.00 175.35 176.79 2jyc n SER 65 N -0.84 2.41 0.00 2.83 7.64 -1.26 -0.58 113.62 123.83 2jyc n SER 65 Ca 0.01 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.67 2jyc n SER 65 Cb 0.65 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jyc n GLY 66 N 5.30 0.74 3.59 0.23 0.00 -0.82 -5.02 105.19 109.21 2jyc n GLY 66 Ca 0.33 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 2jyc n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jyc s GLU 67 N -0.51 2.05 -0.03 1.61 0.41 0.26 -3.96 118.70 118.52 2jyc s GLU 67 Ca 0.00 -1.60 0.05 0.00 -0.41 0.00 0.00 54.97 53.01 2jyc s GLU 67 Cb 0.00 -1.98 -0.01 0.00 -1.78 0.00 0.00 34.13 30.36 2jyc s GLU 67 CO 0.00 0.30 -0.20 0.54 -0.49 0.00 0.00 175.26 175.41 2jyc s VAL 68 N -2.43 1.59 -0.17 2.63 0.11 -1.26 -1.14 120.40 119.72 2jyc s VAL 68 Ca 0.32 -0.83 -0.09 0.00 -2.93 0.00 0.00 61.98 58.45 2jyc s VAL 68 Cb -0.05 -1.34 -0.05 0.00 -1.53 0.00 0.00 36.38 33.42 2jyc s VAL 68 CO 0.18 0.45 0.13 0.00 -3.33 0.00 0.00 175.10 172.53 2jyc s ALA 69 N -0.22 3.72 -0.03 1.54 0.00 0.58 -4.92 121.76 122.42 2jyc s ALA 69 Ca 0.01 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.37 2jyc s ALA 69 Cb -0.10 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2jyc s ALA 69 CO 0.01 0.30 -0.25 0.08 0.00 0.00 0.00 175.76 175.91 2jyc s VAL 70 N -0.06 1.96 -0.09 0.00 1.01 -1.26 -0.02 120.40 121.93 2jyc s VAL 70 Ca 0.10 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2jyc s VAL 70 Cb -0.11 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2jyc s VAL 70 CO -0.00 0.55 -0.10 -0.76 0.00 0.00 0.00 175.10 174.79 2jyc s LEU 71 N -0.47 1.41 -0.36 3.92 1.43 -0.17 -4.94 118.68 119.51 2jyc s LEU 71 Ca 0.06 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 2jyc s LEU 71 Cb -0.11 -0.85 -0.00 0.00 0.03 0.00 0.00 46.19 45.26 2jyc s LEU 71 CO 0.00 -0.05 0.51 -0.75 0.23 0.00 0.00 176.35 176.29 2jyc s LYS 72 N 1.24 3.58 -0.13 1.70 2.20 -1.26 0.64 119.74 127.71 2jyc s LYS 72 Ca -0.04 -0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.36 2jyc s LYS 72 Cb -0.14 -3.82 0.03 0.00 -1.51 0.00 0.00 37.83 32.39 2jyc s LYS 72 CO -0.03 -0.66 -0.04 0.50 -0.36 0.00 0.00 175.35 174.75 2jyc s ARG 73 N 2.39 1.22 0.00 4.03 3.00 0.43 -4.94 118.95 125.08 2jyc s ARG 73 Ca 0.18 -0.29 0.00 0.00 -1.00 0.00 0.00 55.73 54.62 2jyc s ARG 73 Cb -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 34.95 33.13 2jyc s ARG 73 CO 0.13 -0.37 0.00 -3.47 0.00 0.00 0.00 175.30 171.59 2jyc n ASP 74 N 4.97 0.00 0.00 -2.12 -0.08 -1.26 -1.85 116.55 116.21 2jyc n ASP 74 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2jyc n ASP 74 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jyc n GLY 75 N 0.00 0.94 3.29 0.27 0.00 -1.26 -5.12 105.19 103.31 2jyc n GLY 75 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2jyc n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jyc s ARG 76 N 0.00 1.23 -0.20 1.61 1.70 -0.77 -5.02 118.95 117.51 2jyc s ARG 76 Ca 0.00 -1.60 -0.10 0.00 -0.47 0.00 0.00 55.73 53.55 2jyc s ARG 76 Cb 0.00 -0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 33.81 2jyc s ARG 76 CO 0.00 -0.08 0.14 0.71 -1.08 0.00 0.00 175.30 174.99 2jyc s TYR 77 N -3.48 3.41 -0.24 5.89 1.51 -1.26 -0.43 117.35 122.75 2jyc s TYR 77 Ca 0.26 0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 56.55 2jyc s TYR 77 Cb 0.05 -2.18 -0.05 0.00 -0.11 0.00 0.00 41.96 39.68 2jyc s TYR 77 CO 0.06 0.27 0.15 0.42 -1.11 0.00 0.00 175.55 175.34 2jyc s ILE 78 N 0.41 5.20 -0.24 2.71 -1.09 0.21 -0.98 121.20 127.42 2jyc s ILE 78 Ca 0.08 0.12 -0.08 0.00 -2.23 0.00 0.00 60.65 58.54 2jyc s ILE 78 Cb -0.11 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2jyc s ILE 78 CO -0.01 0.34 0.10 -0.31 -1.23 0.00 0.00 174.94 173.83 2jyc s TYR 79 N 1.18 3.18 -0.51 3.97 1.51 0.18 -1.00 117.35 125.86 2jyc s TYR 79 Ca 0.07 -0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 55.97 2jyc s TYR 79 Cb -0.14 -2.23 0.13 0.00 -0.11 0.00 0.00 41.96 39.62 2jyc s TYR 79 CO 0.05 -0.13 0.33 0.71 -1.11 0.00 0.00 175.55 175.40 2jyc s TYR 80 N 1.25 3.50 -0.14 2.71 1.51 0.97 -0.53 117.35 126.62 2jyc s TYR 80 Ca 0.06 -2.37 -0.29 0.00 -1.01 0.00 0.00 57.07 53.45 2jyc s TYR 80 Cb -0.14 -3.31 -0.03 0.00 -0.11 0.00 0.00 41.96 38.37 2jyc s TYR 80 CO 0.05 -0.94 1.39 -0.51 -1.11 0.00 0.00 175.55 174.43 2jyc s LEU 81 N 0.77 4.20 -0.50 -1.29 2.01 -0.16 -0.31 118.68 123.40 2jyc s LEU 81 Ca 0.11 1.82 -0.22 0.00 0.01 0.00 0.00 54.13 55.85 2jyc s LEU 81 Cb -0.22 -3.54 0.04 0.00 0.01 0.00 0.00 46.19 42.48 2jyc s LEU 81 CO -0.03 -0.84 0.79 -0.63 1.01 0.00 0.00 176.35 176.65 2jyc s ILE 82 N 3.75 4.63 -0.16 -0.59 -1.09 -0.29 -0.51 121.20 126.94 2jyc s ILE 82 Ca 0.61 0.12 -0.19 0.00 -2.23 0.00 0.00 60.65 58.95 2jyc s ILE 82 Cb -0.25 -4.38 -0.23 0.00 -1.58 0.00 0.00 42.46 36.01 2jyc s ILE 82 CO 0.20 -0.87 0.42 0.71 -1.23 0.00 0.00 174.94 174.16 2jyc h THR 83 N 5.96 1.05 -4.14 2.92 1.35 -1.80 -2.19 112.91 116.06 2jyc h THR 83 Ca -0.26 -2.29 -0.20 0.00 -0.55 0.00 0.00 66.41 63.11 2jyc h THR 83 Cb 1.08 2.57 -0.11 0.00 -1.73 0.00 0.00 68.15 69.97 2jyc h THR 83 CO 1.00 0.53 -0.30 -0.54 -0.25 0.00 0.00 175.52 175.96 2jyc s LYS 84 N -2.40 1.58 0.08 4.72 -0.14 -1.26 -4.58 119.74 117.74 2jyc s LYS 84 Ca -0.24 -1.56 -0.15 0.00 -1.36 0.00 0.00 55.97 52.66 2jyc s LYS 84 Cb 0.04 0.40 -0.15 0.00 -1.68 0.00 0.00 37.83 36.44 2jyc s LYS 84 CO 0.68 -0.62 1.30 0.87 -0.76 0.00 0.00 175.35 176.82 2jyc h LYS 85 N 2.30 0.70 -6.30 1.68 1.57 -1.95 -2.36 116.57 112.22 2jyc h LYS 85 Ca -0.29 -0.53 -0.60 0.00 -1.87 0.00 0.00 60.65 57.35 2jyc h LYS 85 Cb 1.25 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.55 2jyc h LYS 85 CO 0.41 1.15 -0.63 1.03 -0.57 0.00 0.00 179.45 180.84 2jyc s ARG 86 N -3.83 2.54 0.51 3.15 1.81 -1.26 -3.44 118.95 118.43 2jyc s ARG 86 Ca -0.11 -1.02 0.30 0.00 -1.72 0.00 0.00 55.73 53.17 2jyc s ARG 86 Cb 0.08 -2.45 1.08 0.00 -0.45 0.00 0.00 34.95 33.21 2jyc s ARG 86 CO 0.87 0.47 1.88 0.00 -0.68 0.00 0.00 175.30 177.84 2jyc h ALA 87 N 2.69 1.00 -0.01 2.13 0.00 -1.87 -2.28 119.26 120.92 2jyc h ALA 87 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jyc h ALA 87 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jyc h ALA 87 CO 0.59 0.07 -0.09 -1.13 0.00 0.00 0.00 179.25 178.70 2jyc n SER 88 N -3.16 0.71 -4.83 0.00 3.41 -1.26 -4.88 113.62 103.61 2jyc n SER 88 Ca 0.01 -0.90 -0.33 0.00 -0.26 0.00 0.00 58.87 57.40 2jyc n SER 88 Cb 0.38 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 2jyc n SER 88 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2jyc s HIS 89 N -2.29 3.35 -0.09 7.33 3.76 -0.86 -5.05 115.29 121.43 2jyc s HIS 89 Ca 0.33 1.43 -0.19 0.00 -0.15 0.00 0.00 55.06 56.48 2jyc s HIS 89 Cb 0.20 -2.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 2jyc s HIS 89 CO 0.43 -0.04 0.51 0.15 -0.85 0.00 0.00 174.74 174.94 2jyc s LYS 90 N -3.18 4.33 0.48 1.40 1.02 -1.26 -4.93 119.74 117.60 2jyc s LYS 90 Ca 0.58 0.53 -0.21 0.00 0.02 0.00 0.00 55.97 56.89 2jyc s LYS 90 Cb -0.10 -3.42 -0.08 0.00 -0.52 0.00 0.00 37.83 33.72 2jyc s LYS 90 CO 0.16 0.20 1.07 -1.25 -0.92 0.00 0.00 175.35 174.61 2jyc s PRO 91 N 0.46 3.77 0.24 -1.68 0.04 -1.26 -4.91 135.00 131.66 2jyc s PRO 91 Ca 0.28 1.47 0.09 0.00 0.04 0.00 0.00 61.00 62.88 2jyc s PRO 91 Cb -0.16 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 2jyc s PRO 91 CO 0.12 -0.48 -0.04 0.95 0.04 0.00 0.00 177.00 177.59 2jyc s THR 92 N -1.85 3.33 0.13 1.26 -4.23 -1.26 -4.95 115.64 108.08 2jyc s THR 92 Ca 0.66 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 59.19 2jyc s THR 92 Cb -0.20 -2.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 2jyc s THR 92 CO 0.24 -0.29 1.58 1.88 -0.54 0.00 0.00 174.62 177.48 2jyc h TYR 93 N 2.24 0.86 -0.15 3.99 0.05 -1.98 0.17 116.97 122.15 2jyc h TYR 93 Ca -0.45 -0.16 0.03 0.00 0.05 0.00 0.00 58.73 58.21 2jyc h TYR 93 Cb 1.24 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.72 2jyc h TYR 93 CO 0.68 0.85 -0.05 0.93 -1.05 0.00 0.00 178.16 179.52 2jyc h GLU 94 N 0.62 -0.02 -0.25 4.88 5.08 -1.99 0.24 114.58 123.15 2jyc h GLU 94 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2jyc h GLU 94 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2jyc h GLU 94 CO 0.03 -0.01 0.10 -0.91 -1.00 0.00 0.00 179.01 177.22 2jyc h ASN 95 N -0.02 0.34 0.03 1.42 -0.26 -1.88 -1.79 115.58 113.43 2jyc h ASN 95 Ca 0.08 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2jyc h ASN 95 Cb 0.13 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2jyc h ASN 95 CO -0.17 0.41 -0.02 0.25 -1.06 0.00 0.00 177.43 176.85 2jyc h LEU 96 N 0.26 -0.04 -1.50 1.61 5.85 -0.32 -1.19 115.31 119.98 2jyc h LEU 96 Ca 0.08 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2jyc h LEU 96 Cb 0.17 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jyc h LEU 96 CO -0.01 -0.03 -0.18 0.06 -0.34 0.00 0.00 178.44 177.94 2jyc h GLN 97 N -0.04 0.10 -0.06 1.25 3.07 -0.42 0.04 115.11 119.04 2jyc h GLN 97 Ca -0.00 -0.02 -0.17 0.00 0.09 0.00 0.00 58.65 58.55 2jyc h GLN 97 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 2jyc h GLN 97 CO 0.00 0.28 -0.71 0.87 0.09 0.00 0.00 178.83 179.37 2jyc h LYS 98 N 0.09 0.29 -0.45 0.06 1.57 -1.03 0.30 116.57 117.41 2jyc h LYS 98 Ca 0.02 -0.23 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 2jyc h LYS 98 Cb 0.38 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2jyc h LYS 98 CO 0.03 0.88 -0.28 0.66 -0.57 0.00 0.00 179.45 180.17 2jyc h SER 99 N 0.20 1.02 -0.12 0.86 4.64 -0.46 -1.47 113.55 118.21 2jyc h SER 99 Ca -0.02 -0.42 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 2jyc h SER 99 Cb 1.26 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 2jyc h SER 99 CO 0.11 1.22 -0.07 -0.07 -0.87 0.00 0.00 176.83 177.15 2jyc h LEU 100 N 0.83 -0.22 -0.28 5.97 -0.00 -0.60 -0.10 115.31 120.92 2jyc h LEU 100 Ca 0.09 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.09 2jyc h LEU 100 Cb 0.86 0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 41.58 2jyc h LEU 100 CO 0.08 -0.09 -0.13 -0.33 -0.00 0.00 0.00 178.44 177.97 2jyc h GLU 101 N -0.06 -0.09 -0.65 1.13 4.39 -0.33 0.69 114.58 119.67 2jyc h GLU 101 Ca 0.07 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.84 2jyc h GLU 101 Cb 0.17 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 2jyc h GLU 101 CO -0.16 -0.06 0.35 0.00 -1.16 0.00 0.00 179.01 177.98 2jyc h ALA 102 N 1.14 0.86 -0.10 3.43 0.00 -0.97 0.41 119.26 124.03 2jyc h ALA 102 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jyc h ALA 102 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jyc h ALA 102 CO -0.34 0.02 -0.01 1.98 0.00 0.00 0.00 179.25 180.90 2jyc h MET 103 N 0.65 0.17 -0.76 0.00 1.85 -0.32 -2.33 114.93 114.19 2jyc h MET 103 Ca 0.29 -0.06 0.05 0.00 -0.61 0.00 0.00 59.70 59.37 2jyc h MET 103 Cb 0.19 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.16 2jyc h MET 103 CO -0.19 0.45 0.46 -0.22 -0.40 0.00 0.00 176.91 177.01 2jyc h LYS 104 N -0.12 0.85 -0.09 0.39 3.11 0.86 0.26 116.57 121.83 2jyc h LYS 104 Ca 0.03 -0.05 -0.16 0.00 -2.81 0.00 0.00 60.65 57.65 2jyc h LYS 104 Cb 0.37 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2jyc h LYS 104 CO 0.01 0.56 -0.64 0.66 -2.81 0.00 0.00 179.45 177.23 2jyc h SER 105 N 0.87 0.38 -0.02 4.20 4.64 -0.22 -3.09 113.55 120.30 2jyc h SER 105 Ca 0.32 -0.23 -0.13 0.00 -0.47 0.00 0.00 61.79 61.29 2jyc h SER 105 Cb 0.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2jyc h SER 105 CO -0.15 0.92 -0.38 -0.74 -0.87 0.00 0.00 176.83 175.61 2jyc h HIS 106 N 0.24 0.62 -0.34 4.77 -0.00 -0.80 -2.53 115.15 117.11 2jyc h HIS 106 Ca -0.01 -0.17 -0.02 0.00 -0.00 0.00 0.00 60.37 60.17 2jyc h HIS 106 Cb 1.17 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 2jyc h HIS 106 CO 0.03 0.84 0.13 0.00 -0.00 0.00 0.00 177.93 178.93 2jyc h LEU 108 N 0.47 0.67 -2.27 0.00 3.38 -1.40 0.49 115.31 116.66 2jyc h LEU 108 Ca 0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2jyc h LEU 108 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jyc h LEU 108 CO -0.01 0.77 -0.02 0.11 0.09 0.00 0.00 178.44 179.38 2jyc h LYS 109 N 0.55 0.00 -0.06 1.13 1.57 -1.07 -1.96 116.57 116.72 2jyc h LYS 109 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2jyc h LYS 109 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jyc h LYS 109 CO 0.01 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 2jyc n ASN 110 N -3.17 1.80 -3.03 0.86 3.02 -1.04 -5.01 115.26 108.69 2jyc n ASN 110 Ca -0.01 -1.48 -0.15 0.00 -0.03 0.00 0.00 54.58 52.90 2jyc n ASN 110 Cb 0.18 -0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.39 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jyc n GLY 111 N 0.23 -0.23 3.48 7.41 0.00 -0.20 -5.01 105.19 110.87 2jyc n GLY 111 Ca 0.04 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2jyc n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jyc s VAL 112 N -3.29 3.88 -0.04 1.61 1.01 0.16 -4.95 120.40 118.78 2jyc s VAL 112 Ca 0.07 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2jyc s VAL 112 Cb -0.03 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.73 2jyc s VAL 112 CO 0.61 0.48 0.99 1.07 0.00 0.00 0.00 175.10 178.24 2jyc n THR 113 N 3.68 0.61 -4.00 3.92 5.66 -1.26 -4.46 114.28 118.43 2jyc n THR 113 Ca -0.17 -0.72 -0.23 0.00 -3.05 0.00 0.00 64.05 59.88 2jyc n THR 113 Cb 0.52 0.34 -0.17 0.00 -1.55 0.00 0.00 70.33 69.48 2jyc n THR 113 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2jyc s ASP 114 N -1.43 1.49 0.01 1.09 1.01 -1.26 -0.06 116.67 117.53 2jyc s ASP 114 Ca 0.09 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.20 2jyc s ASP 114 Cb 0.08 -0.55 -0.01 0.00 1.01 0.00 0.00 42.92 43.45 2jyc s ASP 114 CO 0.01 -0.11 -0.02 -0.76 0.21 0.00 0.00 175.17 174.50 2jyc s LEU 115 N 1.44 2.13 -0.03 1.23 1.43 0.14 -0.48 118.68 124.53 2jyc s LEU 115 Ca -0.02 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2jyc s LEU 115 Cb -0.13 0.02 -0.00 0.00 0.03 0.00 0.00 46.19 46.11 2jyc s LEU 115 CO -0.03 -0.15 -0.14 -0.94 0.23 0.00 0.00 176.35 175.31 2jyc s SER 116 N -0.80 1.81 0.04 2.29 1.04 0.63 0.43 113.70 119.13 2jyc s SER 116 Ca -0.08 -0.29 -0.14 0.00 0.48 0.00 0.00 55.95 55.91 2jyc s SER 116 Cb -0.06 -0.46 0.02 0.00 0.10 0.00 0.00 66.02 65.63 2jyc s SER 116 CO -0.00 0.13 0.32 0.00 0.98 0.00 0.00 173.24 174.67 2jyc s MET 117 N 0.03 0.82 0.71 4.02 0.23 0.54 -0.14 119.30 125.53 2jyc s MET 117 Ca -0.02 -0.48 -0.11 0.00 -1.03 0.00 0.00 55.69 54.04 2jyc s MET 117 Cb -0.10 0.36 0.02 0.00 -1.53 0.00 0.00 34.83 33.58 2jyc s MET 117 CO 0.01 -0.27 1.09 -1.25 -2.03 0.00 0.00 175.02 172.57 2jyc s PRO 118 N -2.53 2.81 -0.76 3.16 0.04 -1.26 -0.72 135.00 135.75 2jyc s PRO 118 Ca -0.05 0.56 -0.28 0.00 0.04 0.00 0.00 61.00 61.27 2jyc s PRO 118 Cb -0.01 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 2jyc s PRO 118 CO -0.03 -1.09 2.54 -2.13 0.04 0.00 0.00 177.00 176.32 2jyc n ARG 119 N -3.07 0.49 -0.42 4.56 0.63 -0.68 -4.76 116.66 113.42 2jyc n ARG 119 Ca 0.07 -0.04 0.10 0.00 -0.92 0.00 0.00 57.85 57.06 2jyc n ARG 119 Cb 0.56 -2.46 0.31 0.00 0.45 0.00 0.00 32.46 31.33 2jyc n ARG 119 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2jyc n ILE 120 N 7.70 1.15 -3.64 5.15 -5.35 -1.26 -4.58 119.36 118.52 2jyc n ILE 120 Ca 0.52 -0.97 -0.12 0.00 -0.27 0.00 0.00 62.75 61.91 2jyc n ILE 120 Cb 0.29 0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 38.49 2jyc n ILE 120 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jyc s GLY 121 N -0.96 -0.28 0.00 3.28 0.00 -1.26 -4.78 107.32 103.32 2jyc s GLY 121 Ca 0.47 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.34 2jyc s GLY 121 CO 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 173.10 173.28 2jyc h GLY 123 N 0.00 0.92 -7.20 0.00 0.00 -1.84 -3.28 103.07 91.66 2jyc h GLY 123 Ca 0.00 -0.64 -0.61 0.00 0.00 0.00 0.00 47.33 46.08 2jyc h GLY 123 CO 0.00 0.59 0.64 1.08 0.00 0.00 0.00 176.54 178.86 2jyc s LEU 124 N -9.17 4.06 0.40 3.11 2.01 -1.26 -4.92 118.68 112.90 2jyc s LEU 124 Ca -0.10 -0.63 0.16 0.00 0.01 0.00 0.00 54.13 53.57 2jyc s LEU 124 Cb 0.14 -2.62 1.04 0.00 0.01 0.00 0.00 46.19 44.76 2jyc s LEU 124 CO 0.82 -1.42 1.83 -0.78 1.01 0.00 0.00 176.35 177.81 2jyc h ASP 125 N 9.54 0.47 0.29 2.29 3.58 -1.95 -0.59 116.42 130.05 2jyc h ASP 125 Ca -0.28 0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.03 2jyc h ASP 125 Cb 1.07 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 2jyc h ASP 125 CO 1.16 0.17 -0.81 0.03 -2.88 0.00 0.00 179.24 176.91 2jyc h ARG 126 N 0.46 0.41 -6.00 0.28 -0.00 -1.91 -3.43 114.38 104.18 2jyc h ARG 126 Ca 0.50 -0.37 -0.58 0.00 -0.50 0.00 0.00 59.98 59.04 2jyc h ARG 126 Cb 1.18 0.09 -0.06 0.00 0.00 0.00 0.00 29.97 31.17 2jyc h ARG 126 CO -0.22 1.02 0.44 -0.51 0.00 0.00 0.00 179.97 180.70 2jyc s LEU 127 N -7.86 4.18 -0.01 3.04 1.02 -0.23 -5.00 118.68 113.82 2jyc s LEU 127 Ca -0.06 1.24 -0.30 0.00 0.02 0.00 0.00 54.13 55.03 2jyc s LEU 127 Cb 0.10 -3.30 -0.03 0.00 0.02 0.00 0.00 46.19 42.98 2jyc s LEU 127 CO 0.85 -0.42 0.99 -1.10 0.02 0.00 0.00 176.35 176.70 2jyc s GLN 128 N 2.17 4.53 0.44 1.70 -0.21 -1.26 -0.52 119.66 126.51 2jyc s GLN 128 Ca 0.40 1.43 0.11 0.00 0.02 0.00 0.00 55.36 57.32 2jyc s GLN 128 Cb -0.17 -3.47 0.98 0.00 1.00 0.00 0.00 33.01 31.35 2jyc s GLN 128 CO 0.13 -0.10 2.06 2.35 -2.12 0.00 0.00 175.29 177.60 2jyc h TRP 129 N 6.85 0.28 -0.15 0.91 2.91 -1.92 -0.68 115.95 124.14 2jyc h TRP 129 Ca -0.39 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 59.66 2jyc h TRP 129 Cb 1.21 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.73 2jyc h TRP 129 CO 0.68 0.23 -0.06 1.49 -1.03 0.00 0.00 178.44 179.75 2jyc h GLU 130 N 0.29 -0.04 -0.36 2.65 4.81 -1.97 0.46 114.58 120.41 2jyc h GLU 130 Ca 0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2jyc h GLU 130 Cb 0.06 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2jyc h GLU 130 CO -0.01 -0.03 0.18 -0.91 -0.73 0.00 0.00 179.01 177.51 2jyc h ASN 131 N -0.04 0.47 0.37 1.04 2.35 -1.64 -1.35 115.58 116.78 2jyc h ASN 131 Ca 0.08 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2jyc h ASN 131 Cb 0.16 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2jyc h ASN 131 CO -0.18 0.46 -0.18 0.58 -1.65 0.00 0.00 177.43 176.46 2jyc h VAL 132 N 0.45 0.64 -0.19 2.81 2.07 -0.82 -1.70 116.25 119.51 2jyc h VAL 132 Ca 0.13 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2jyc h VAL 132 Cb 0.11 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2jyc h VAL 132 CO -0.02 0.05 0.12 0.77 0.02 0.00 0.00 177.57 178.52 2jyc h SER 133 N -0.64 0.21 -0.50 0.57 4.64 -0.06 -0.21 113.55 117.56 2jyc h SER 133 Ca -0.05 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2jyc h SER 133 Cb 0.46 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2jyc h SER 133 CO 0.08 0.15 0.30 0.00 -0.87 0.00 0.00 176.83 176.49 2jyc h ALA 134 N 1.08 0.64 -0.91 5.18 0.00 -1.28 -0.86 119.26 123.11 2jyc h ALA 134 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jyc h ALA 134 Cb -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2jyc h ALA 134 CO -0.02 0.13 0.60 1.98 0.00 0.00 0.00 179.25 181.94 2jyc h MET 135 N 0.67 1.20 -0.57 0.00 -1.53 -1.01 0.34 114.93 114.02 2jyc h MET 135 Ca 0.18 -0.07 -0.03 0.00 -3.44 0.00 0.00 59.70 56.34 2jyc h MET 135 Cb 0.00 -0.27 -0.03 0.00 -0.55 0.00 0.00 31.60 30.76 2jyc h MET 135 CO -0.03 0.79 0.25 0.82 0.14 0.00 0.00 176.91 178.88 2jyc h ILE 136 N 1.23 1.22 -0.54 1.77 2.04 -0.54 0.67 117.51 123.36 2jyc h ILE 136 Ca 0.33 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.55 2jyc h ILE 136 Cb -0.14 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2jyc h ILE 136 CO -0.07 0.26 0.35 -0.33 0.00 0.00 0.00 178.15 178.36 2jyc h GLU 137 N 0.78 0.69 0.08 2.37 4.39 -0.45 -1.05 114.58 121.39 2jyc h GLU 137 Ca 0.19 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2jyc h GLU 137 Cb 0.17 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2jyc h GLU 137 CO -0.02 0.46 -0.04 0.93 -1.16 0.00 0.00 179.01 179.18 2jyc h GLU 138 N 0.71 -0.10 -0.77 2.33 5.08 -0.07 -3.02 114.58 118.74 2jyc h GLU 138 Ca 0.20 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2jyc h GLU 138 Cb -0.06 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2jyc h GLU 138 CO -0.04 0.36 0.46 0.28 -1.00 0.00 0.00 179.01 179.07 2jyc h VAL 139 N -0.62 1.02 0.00 3.13 2.07 -0.64 -2.13 116.25 119.09 2jyc h VAL 139 Ca -0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2jyc h VAL 139 Cb 0.51 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2jyc h VAL 139 CO 0.02 0.16 0.00 0.49 0.02 0.00 0.00 177.57 178.25 2jyc n PHE 140 N -4.69 0.72 -1.69 1.57 3.72 -0.42 -4.81 117.46 111.85 2jyc n PHE 140 Ca 0.10 0.25 -0.44 0.00 -0.05 0.00 0.00 57.45 57.32 2jyc n PHE 140 Cb 0.17 -0.91 -0.02 0.00 -0.94 0.00 0.00 39.48 37.77 2jyc n PHE 140 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jyc n GLU 141 N -2.13 2.23 -0.97 -1.08 -0.58 -0.80 -1.22 120.64 116.09 2jyc n GLU 141 Ca 0.04 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.57 2jyc n GLU 141 Cb 0.29 -2.48 0.00 0.00 -0.57 0.00 0.00 31.44 28.68 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jyc n ALA 142 N 1.84 0.00 -0.02 0.62 0.00 -1.26 -4.84 120.51 116.84 2jyc n ALA 142 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2jyc n ALA 142 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 2jyc n ALA 142 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jyc n THR 143 N -2.34 0.58 -2.23 0.00 -2.24 -0.36 -5.10 114.28 102.59 2jyc n THR 143 Ca 0.00 -0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 2jyc n THR 143 Cb 0.00 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 2jyc n THR 143 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jyc n ASP 144 N -3.41 -5.32 -4.13 3.42 -0.08 -1.02 -5.08 116.55 100.93 2jyc n ASP 144 Ca -0.12 0.44 -0.26 0.00 -1.51 0.00 0.00 54.79 53.35 2jyc n ASP 144 Cb 0.50 -3.44 -0.16 0.00 2.34 0.00 0.00 41.12 40.36 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jyc s ILE 145 N -1.61 1.42 -0.02 5.18 1.01 -1.26 -4.84 121.20 121.08 2jyc s ILE 145 Ca 0.10 -0.71 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 2jyc s ILE 145 Cb -0.03 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 2jyc s ILE 145 CO 0.43 0.41 0.89 -0.54 0.00 0.00 0.00 174.94 176.12 2jyc s LYS 146 N 0.06 4.52 -0.16 2.79 3.01 0.92 -4.78 119.74 126.10 2jyc s LYS 146 Ca -0.04 1.24 0.01 0.00 -1.01 0.00 0.00 55.97 56.17 2jyc s LYS 146 Cb -0.12 -3.45 0.02 0.00 -1.01 0.00 0.00 37.83 33.28 2jyc s LYS 146 CO 0.02 0.00 -0.15 0.42 0.51 0.00 0.00 175.35 176.16 2jyc s ILE 147 N 0.88 1.67 -0.30 2.17 1.01 0.81 0.23 121.20 127.68 2jyc s ILE 147 Ca 0.47 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 2jyc s ILE 147 Cb -0.20 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2jyc s ILE 147 CO 0.25 0.45 0.17 -0.89 0.00 0.00 0.00 174.94 174.92 2jyc s THR 148 N 1.44 4.91 -0.27 2.92 2.01 0.17 0.01 115.64 126.83 2jyc s THR 148 Ca 0.04 -0.16 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 2jyc s THR 148 Cb -0.13 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 2jyc s THR 148 CO -0.11 0.15 0.11 -0.69 -0.69 0.00 0.00 174.62 173.39 2jyc s VAL 149 N 1.68 4.56 -0.21 3.82 1.01 0.77 -0.34 120.40 131.70 2jyc s VAL 149 Ca 0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 2jyc s VAL 149 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2jyc s VAL 149 CO 0.08 0.27 0.48 -0.31 0.00 0.00 0.00 175.10 175.61 2jyc s TYR 150 N 1.64 3.36 -0.26 5.22 1.51 0.11 -0.23 117.35 128.70 2jyc s TYR 150 Ca 0.06 0.70 -0.17 0.00 -1.01 0.00 0.00 57.07 56.65 2jyc s TYR 150 Cb -0.16 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.04 2jyc s TYR 150 CO 0.06 -0.09 0.50 0.95 -1.11 0.00 0.00 175.55 175.85 2jyc s THR 151 N 1.61 5.09 -0.47 -0.71 -4.23 0.42 -1.68 115.64 115.67 2jyc s THR 151 Ca 0.22 0.84 0.04 0.00 -1.18 0.00 0.00 61.69 61.61 2jyc s THR 151 Cb -0.15 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 69.91 2jyc s THR 151 CO 0.09 0.10 0.62 0.18 -0.54 0.00 0.00 174.62 175.07