#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 1.50 -0.11 0.62 0.00 -1.26 -4.87 121.76 117.64 2jyc s ALA 2 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 2jyc s ALA 2 Cb 0.00 -4.48 0.04 0.00 0.00 0.00 0.00 23.12 18.68 2jyc s ALA 2 CO 0.00 -4.87 0.02 -1.54 0.00 0.00 0.00 175.76 169.37 2jyc s SER 3 N 9.50 2.03 -0.27 0.00 1.04 -1.26 -1.57 113.70 123.16 2jyc s SER 3 Ca 0.80 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.84 2jyc s SER 3 Cb -0.11 -0.47 0.15 0.00 0.10 0.00 0.00 66.02 65.69 2jyc s SER 3 CO 0.10 -0.24 0.54 -0.44 0.98 0.00 0.00 173.24 174.19 2jyc s SER 4 N 1.95 -0.84 -0.92 7.02 0.01 -1.26 -4.96 113.70 114.71 2jyc s SER 4 Ca 0.03 0.96 -0.24 0.00 1.31 0.00 0.00 55.95 58.01 2jyc s SER 4 Cb -0.14 1.88 -0.03 0.00 0.21 0.00 0.00 66.02 67.94 2jyc s SER 4 CO -0.06 -0.25 1.85 -0.76 0.41 0.00 0.00 173.24 174.42 2jyc s LEU 5 N 2.77 3.23 -0.28 2.44 1.02 -1.26 -4.56 118.68 122.05 2jyc s LEU 5 Ca 0.09 -0.81 -0.03 0.00 0.02 0.00 0.00 54.13 53.39 2jyc s LEU 5 Cb -0.14 -2.56 0.09 0.00 0.02 0.00 0.00 46.19 43.60 2jyc s LEU 5 CO -0.18 -2.50 0.11 0.21 0.02 0.00 0.00 176.35 174.02 2jyc s ASN 6 N 7.43 3.48 0.06 2.29 2.47 -1.26 -5.11 114.94 124.30 2jyc s ASN 6 Ca 0.65 -1.27 0.06 0.00 0.42 0.00 0.00 52.86 52.73 2jyc s ASN 6 Cb -0.05 -0.46 -0.03 0.00 -1.45 0.00 0.00 41.25 39.26 2jyc s ASN 6 CO -0.02 -0.42 -0.17 -1.61 -3.72 0.00 0.00 177.10 171.16 2jyc s GLU 7 N 1.99 1.03 -0.22 0.43 2.02 -1.26 -4.97 118.70 117.72 2jyc s GLU 7 Ca 0.08 -0.91 -0.15 0.00 0.02 0.00 0.00 54.97 54.01 2jyc s GLU 7 Cb -0.16 -1.10 0.06 0.00 0.10 0.00 0.00 34.13 33.03 2jyc s GLU 7 CO -0.30 0.27 0.55 0.34 0.02 0.00 0.00 175.26 176.13 2jyc s ASP 8 N -1.42 -0.68 0.21 -0.19 2.15 -1.26 -5.14 116.67 110.34 2jyc s ASP 8 Ca 0.03 1.17 -0.31 0.00 0.43 0.00 0.00 52.55 53.87 2jyc s ASP 8 Cb -0.09 1.09 -0.10 0.00 -0.30 0.00 0.00 42.92 43.52 2jyc s ASP 8 CO 0.02 -0.21 1.46 -2.16 -0.17 0.00 0.00 175.17 174.11 2jyc s PRO 9 N 1.15 4.27 -0.51 4.34 0.04 -1.26 -4.97 135.00 138.05 2jyc s PRO 9 Ca -0.07 2.28 0.03 0.00 0.04 0.00 0.00 61.00 63.28 2jyc s PRO 9 Cb -0.06 -3.14 0.15 0.00 0.04 0.00 0.00 34.50 31.49 2jyc s PRO 9 CO -0.11 -0.46 0.32 -1.21 0.04 0.00 0.00 177.00 175.58 2jyc s GLU 10 N 0.20 1.61 0.42 4.56 2.02 -1.26 -4.89 118.70 121.36 2jyc s GLU 10 Ca 0.63 -2.44 0.23 0.00 0.02 0.00 0.00 54.97 53.40 2jyc s GLU 10 Cb -0.41 -2.59 0.58 0.00 0.10 0.00 0.00 34.13 31.81 2jyc s GLU 10 CO 0.38 -1.22 1.68 0.78 0.02 0.00 0.00 175.26 176.90 2jyc h GLY 11 N 6.18 0.00 -2.34 -1.39 0.00 -2.00 -3.44 103.07 100.08 2jyc h GLY 11 Ca 0.07 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.93 2jyc h GLY 11 CO 0.55 0.00 -0.10 -0.45 0.00 0.00 0.00 176.54 176.54 2jyc s SER 12 N -6.19 6.02 -0.02 0.19 0.15 -1.26 -5.04 113.70 107.55 2jyc s SER 12 Ca 0.04 0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.95 2jyc s SER 12 Cb 0.08 -1.77 -0.08 0.00 -1.71 0.00 0.00 66.02 62.54 2jyc s SER 12 CO 0.66 -0.57 0.67 0.03 1.20 0.00 0.00 173.24 175.23 2jyc h ARG 13 N 0.48 -0.51 -5.09 5.44 2.47 -1.90 -3.44 114.38 111.83 2jyc h ARG 13 Ca -0.47 0.03 -0.62 0.00 -1.26 0.00 0.00 59.98 57.66 2jyc h ARG 13 Cb 1.24 0.12 -0.15 0.00 -1.65 0.00 0.00 29.97 29.52 2jyc h ARG 13 CO 0.59 -0.34 -0.52 0.42 0.56 0.00 0.00 179.97 180.68 2jyc s ILE 14 N -3.32 5.26 -0.15 2.04 1.01 -1.26 -0.96 121.20 123.83 2jyc s ILE 14 Ca -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 2jyc s ILE 14 Cb 0.01 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2jyc s ILE 14 CO 0.23 0.35 -0.12 -0.89 0.00 0.00 0.00 174.94 174.52 2jyc s THR 15 N 1.05 3.08 -0.26 2.92 2.01 -0.07 -4.99 115.64 119.38 2jyc s THR 15 Ca 0.07 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 2jyc s THR 15 Cb -0.14 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2jyc s THR 15 CO 0.04 0.51 0.50 -0.31 -0.69 0.00 0.00 174.62 174.67 2jyc s TYR 16 N 0.56 3.27 0.01 4.92 2.02 -1.26 0.08 117.35 126.95 2jyc s TYR 16 Ca -0.07 0.61 0.07 0.00 -0.37 0.00 0.00 57.07 57.31 2jyc s TYR 16 Cb -0.15 -2.70 -0.02 0.00 -0.40 0.00 0.00 41.96 38.69 2jyc s TYR 16 CO 0.03 -0.27 -0.20 0.08 -1.57 0.00 0.00 175.55 173.62 2jyc s VAL 17 N 2.26 1.60 -0.08 0.71 1.01 0.17 -4.95 120.40 121.12 2jyc s VAL 17 Ca 0.21 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2jyc s VAL 17 Cb -0.16 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2jyc s VAL 17 CO 0.09 0.34 0.05 -1.59 0.00 0.00 0.00 175.10 173.99 2jyc s LYS 18 N -0.77 3.10 0.00 2.72 0.00 -1.26 -0.15 119.74 123.38 2jyc s LYS 18 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 55.97 55.69 2jyc s LYS 18 Cb -0.08 -2.89 0.00 0.00 0.00 0.00 0.00 37.83 34.85 2jyc s LYS 18 CO 0.00 0.71 0.00 0.41 0.00 0.00 0.00 175.35 176.47 2jyc n GLY 19 N 1.94 0.18 3.85 0.59 0.00 -1.25 -4.94 105.19 105.55 2jyc n GLY 19 Ca -0.18 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 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 6.18 0.37 1.61 -1.08 -1.26 -4.73 116.67 113.77 2jyc s ASP 20 Ca 0.00 0.39 0.21 0.00 -0.52 0.00 0.00 52.55 52.64 2jyc s ASP 20 Cb 0.00 -1.95 0.24 0.00 -1.46 0.00 0.00 42.92 39.74 2jyc s ASP 20 CO 0.00 0.38 1.48 0.25 0.52 0.00 0.00 175.17 177.81 2jyc h LEU 21 N 4.85 0.00 0.00 -1.34 7.12 -1.95 -2.96 115.31 121.03 2jyc h LEU 21 Ca -0.54 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.47 2jyc h LEU 21 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 2jyc h LEU 21 CO 0.59 0.10 -0.31 0.49 -0.13 0.00 0.00 178.44 179.18 2jyc n PHE 22 N -3.06 0.08 1.43 1.25 3.72 -1.26 -3.76 117.46 115.87 2jyc n PHE 22 Ca 0.03 0.02 0.11 0.00 -0.05 0.00 0.00 57.45 57.56 2jyc n PHE 22 Cb 0.58 -0.40 0.44 0.00 -0.94 0.00 0.00 39.48 39.15 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 -1.54 2.55 -1.06 4.37 0.00 -1.12 -4.89 120.51 118.82 2jyc n ALA 23 Ca 0.06 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 2jyc n ALA 23 Cb 0.35 -1.15 0.14 0.00 0.00 0.00 0.00 19.45 18.79 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc n PRO 25 N -3.95 0.40 0.21 0.00 -0.05 -1.26 -4.51 135.00 125.83 2jyc n PRO 25 Ca 0.08 0.00 0.14 0.00 -0.05 0.00 0.00 63.50 63.67 2jyc n PRO 25 Cb 0.54 0.00 0.50 0.00 -0.05 0.00 0.00 33.50 34.48 2jyc n PRO 25 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 175.50 176.32 2jyc h LYS 26 N 0.00 0.00 0.00 0.54 1.57 -1.58 -3.19 116.57 113.91 2jyc h LYS 26 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jyc h LYS 26 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jyc h LYS 26 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 2jyc h THR 27 N 0.00 0.00 -3.20 -0.16 1.35 -1.87 -3.42 112.91 105.61 2jyc h THR 27 Ca 0.00 -0.60 -0.67 0.00 -0.55 0.00 0.00 66.41 64.59 2jyc h THR 27 Cb 0.61 1.55 -0.34 0.00 -1.73 0.00 0.00 68.15 68.24 2jyc h THR 27 CO 0.00 0.00 -0.87 -1.81 -0.25 0.00 0.00 175.52 172.59 2jyc s ASP 28 N -5.24 3.07 0.77 5.36 1.11 -1.21 -4.30 116.67 116.24 2jyc s ASP 28 Ca 0.06 -0.60 -0.03 0.00 0.18 0.00 0.00 52.55 52.17 2jyc s ASP 28 Cb 0.09 -1.42 0.15 0.00 1.07 0.00 0.00 42.92 42.81 2jyc s ASP 28 CO 0.57 0.07 1.06 -0.44 1.18 0.00 0.00 175.17 177.61 2jyc s SER 29 N 0.86 4.04 0.00 0.27 0.01 -0.62 -4.68 113.70 113.59 2jyc s SER 29 Ca -0.06 -0.37 0.08 0.00 1.31 0.00 0.00 55.95 56.90 2jyc s SER 29 Cb -0.15 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 2jyc s SER 29 CO -0.03 -2.08 -0.24 -0.76 0.41 0.00 0.00 173.24 170.54 2jyc s LEU 30 N -5.28 2.09 -0.03 2.44 1.43 -0.77 -0.18 118.68 118.39 2jyc s LEU 30 Ca 0.69 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 53.23 2jyc s LEU 30 Cb -0.04 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.98 2jyc s LEU 30 CO 0.46 0.27 0.18 0.00 0.23 0.00 0.00 176.35 177.49 2jyc s ALA 31 N -0.64 -0.44 0.12 4.21 0.00 -1.15 0.44 121.76 124.30 2jyc s ALA 31 Ca 0.10 0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 2jyc s ALA 31 Cb -0.09 -0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.06 2jyc s ALA 31 CO 0.00 -0.17 1.06 -3.38 0.00 0.00 0.00 175.76 173.27 2jyc s HIS 32 N -0.86 -0.05 -0.12 0.00 -3.43 -0.50 -3.93 115.29 106.39 2jyc s HIS 32 Ca -0.09 -0.23 -0.09 0.00 -0.80 0.00 0.00 55.06 53.84 2jyc s HIS 32 Cb -0.05 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.69 2jyc s HIS 32 CO 0.01 -0.72 0.19 0.00 -2.00 0.00 0.00 174.74 172.23 2jyc s ILE 34 N -0.59 0.10 0.20 0.00 -4.36 0.13 -4.88 121.20 111.81 2jyc s ILE 34 Ca 0.15 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2jyc s ILE 34 Cb -0.13 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 2jyc s ILE 34 CO 0.04 0.00 0.34 -0.94 0.24 0.00 0.00 174.94 174.62 2jyc s SER 35 N -3.23 6.34 0.45 4.36 1.04 -1.25 -1.92 113.70 119.49 2jyc s SER 35 Ca 0.39 0.21 0.30 0.00 0.48 0.00 0.00 55.95 57.33 2jyc s SER 35 Cb 0.06 -1.93 1.14 0.00 0.10 0.00 0.00 66.02 65.40 2jyc s SER 35 CO 0.15 -0.02 1.87 1.05 0.98 0.00 0.00 173.24 177.26 2jyc h GLU 36 N 1.77 0.00 -0.02 4.02 -0.00 0.54 -2.13 114.58 118.76 2jyc h GLU 36 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2jyc h GLU 36 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2jyc h GLU 36 CO 0.66 0.00 0.00 -0.40 -0.00 0.00 0.00 179.01 179.27 2jyc n ASP 37 N -2.84 0.81 -0.43 3.06 5.68 -1.13 -4.91 116.55 116.79 2jyc n ASP 37 Ca 0.02 -1.32 -0.05 0.00 -0.50 0.00 0.00 54.79 52.94 2jyc n ASP 37 Cb 0.32 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jyc h ARG 39 N 0.00 0.07 0.00 0.00 3.08 -1.91 -3.46 114.38 112.16 2jyc h ARG 39 Ca -0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2jyc h ARG 39 Cb 0.89 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2jyc h ARG 39 CO 0.15 0.61 0.00 -1.33 -1.07 0.00 0.00 179.97 178.33 2jyc n MET 40 N -4.76 0.00 0.00 0.04 2.81 -1.26 -4.75 117.12 109.20 2jyc n MET 40 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2jyc n MET 40 Cb 0.31 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.82 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 2.67 3.55 3.03 0.00 -1.26 -4.91 105.19 108.27 2jyc n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.14 0.00 4.61 0.00 -1.26 -5.02 121.76 119.39 2jyc s ALA 42 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2jyc s ALA 42 Cb 0.00 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.20 2jyc s ALA 42 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2jyc n GLY 43 N -0.37 -2.15 0.18 0.00 0.00 -1.26 -4.13 105.19 97.46 2jyc n GLY 43 Ca -0.02 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.72 -0.61 2.10 -1.98 -2.98 117.51 113.32 2jyc h ILE 44 Ca 0.00 -0.34 0.03 0.00 1.08 0.00 0.00 64.86 65.62 2jyc h ILE 44 Cb 0.00 1.17 -0.04 0.00 -1.09 0.00 0.00 36.82 36.86 2jyc h ILE 44 CO 0.00 0.00 0.46 0.00 -1.08 0.00 0.00 178.15 177.53 2jyc h ALA 45 N 2.19 0.93 -0.23 0.18 0.00 -1.92 -0.23 119.26 120.18 2jyc h ALA 45 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2jyc h ALA 45 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jyc h ALA 45 CO 0.00 0.25 -0.14 0.28 0.00 0.00 0.00 179.25 179.65 2jyc h VAL 46 N 0.90 1.21 -0.69 0.00 2.07 -1.68 0.18 116.25 118.24 2jyc h VAL 46 Ca 0.28 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2jyc h VAL 46 Cb -0.01 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2jyc h VAL 46 CO -0.10 0.30 0.31 -0.07 0.02 0.00 0.00 177.57 178.03 2jyc h LEU 47 N 0.35 0.93 -0.39 2.57 3.38 -1.22 0.18 115.31 121.11 2jyc h LEU 47 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2jyc h LEU 47 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2jyc h LEU 47 CO 0.03 0.82 0.08 -0.26 0.09 0.00 0.00 178.44 179.19 2jyc h PHE 48 N 0.98 0.67 -0.81 1.13 -1.00 -0.30 0.18 116.94 117.78 2jyc h PHE 48 Ca 0.24 -0.09 0.10 0.00 2.81 0.00 0.00 57.97 61.02 2jyc h PHE 48 Cb 0.16 -0.19 -0.07 0.00 3.61 0.00 0.00 35.95 39.46 2jyc h PHE 48 CO 0.01 0.66 0.45 -0.22 -1.61 0.00 0.00 178.31 177.60 2jyc h LYS 49 N 0.49 0.74 0.02 1.51 3.64 -0.70 0.85 116.57 123.11 2jyc h LYS 49 Ca 0.12 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jyc h LYS 49 Cb 0.34 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2jyc h LYS 49 CO 0.00 0.49 -0.01 0.87 -2.27 0.00 0.00 179.45 178.53 2jyc h LYS 50 N 0.76 -0.03 -0.03 1.90 1.57 -0.36 -2.98 116.57 117.40 2jyc h LYS 50 Ca 0.39 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.00 2jyc h LYS 50 Cb 0.37 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.70 2jyc h LYS 50 CO -0.25 0.63 -0.65 0.87 -0.57 0.00 0.00 179.45 179.47 2jyc h LYS 51 N -0.74 0.50 0.00 3.15 1.57 -0.48 -3.33 116.57 117.23 2jyc h LYS 51 Ca -0.00 -0.49 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 2jyc h LYS 51 Cb 0.68 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2jyc h LYS 51 CO 0.01 1.13 -1.62 1.19 -0.57 0.00 0.00 179.45 179.59 2jyc n PHE 52 N -4.16 0.51 -3.69 -1.35 3.72 0.28 -4.99 117.46 107.78 2jyc n PHE 52 Ca -0.10 0.16 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 2jyc n PHE 52 Cb 0.69 -0.83 0.04 0.00 -0.94 0.00 0.00 39.48 38.44 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 1.32 -0.31 2.06 1.37 0.00 -1.12 -4.91 105.19 103.60 2jyc n GLY 53 Ca -0.07 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.56 6.30 0.24 -0.02 0.00 -1.26 -4.72 105.19 104.17 2jyc n GLY 54 Ca -0.27 -2.59 -0.13 0.00 0.00 0.00 0.00 46.02 43.03 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 1.95 1.29 -0.64 1.61 2.07 -1.91 -2.25 116.25 118.37 2jyc h VAL 55 Ca 0.41 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 2jyc h VAL 55 Cb 1.40 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 2jyc h VAL 55 CO 0.91 0.49 0.14 1.56 0.02 0.00 0.00 177.57 180.68 2jyc h GLN 56 N 0.59 1.02 -0.34 1.57 7.50 -1.99 -1.47 115.11 121.99 2jyc h GLN 56 Ca 0.05 -0.24 0.01 0.00 0.50 0.00 0.00 58.65 58.98 2jyc h GLN 56 Cb 0.90 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 28.28 2jyc h GLN 56 CO 0.08 0.91 0.23 0.93 -1.50 0.00 0.00 178.83 179.48 2jyc h GLU 57 N 0.97 0.41 0.02 1.46 5.08 -1.84 0.38 114.58 121.06 2jyc h GLU 57 Ca 0.20 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2jyc h GLU 57 Cb 0.37 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2jyc h GLU 57 CO 0.00 0.27 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.21 2jyc h LEU 58 N 0.43 -0.02 -0.69 1.33 3.38 -0.79 -3.19 115.31 115.76 2jyc h LEU 58 Ca 0.13 -0.64 -0.13 0.00 0.09 0.00 0.00 57.88 57.34 2jyc h LEU 58 Cb 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jyc h LEU 58 CO -0.03 0.64 -0.33 -0.07 0.09 0.00 0.00 178.44 178.74 2jyc h LEU 59 N -0.71 0.68 -2.13 1.67 3.38 -0.82 -2.42 115.31 114.96 2jyc h LEU 59 Ca -0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2jyc h LEU 59 Cb 0.66 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jyc h LEU 59 CO 0.00 0.95 -0.04 0.78 0.09 0.00 0.00 178.44 180.22 2jyc h ASN 60 N 0.55 0.00 1.55 -0.43 2.35 -0.37 -0.72 115.58 118.51 2jyc h ASN 60 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2jyc h ASN 60 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2jyc h ASN 60 CO 0.07 0.04 0.00 1.56 -1.65 0.00 0.00 177.43 177.45 2jyc h GLN 61 N 0.00 0.00 -5.95 0.81 4.20 -1.41 -3.48 115.11 109.27 2jyc h GLN 61 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 2jyc h GLN 61 Cb 0.28 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 2jyc h GLN 61 CO 0.01 0.00 -0.71 1.04 -0.67 0.00 0.00 178.83 178.49 2jyc n GLN 62 N -2.91 -1.86 -4.79 1.46 6.02 -0.28 -5.01 117.38 110.01 2jyc n GLN 62 Ca 0.03 1.52 -0.30 0.00 -0.01 0.00 0.00 57.00 58.24 2jyc n GLN 62 Cb 0.43 -4.01 -0.14 0.00 1.02 0.00 0.00 30.24 27.54 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 -3.12 1.91 0.40 -1.09 -0.14 -1.26 -5.10 119.74 111.34 2jyc s LYS 63 Ca 0.18 -1.06 0.04 0.00 -1.36 0.00 0.00 55.97 53.77 2jyc s LYS 63 Cb -0.03 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 34.00 2jyc s LYS 63 CO 0.82 0.52 0.05 0.15 -0.76 0.00 0.00 175.35 176.14 2jyc s LYS 64 N -1.34 1.91 -0.29 1.68 -0.14 -1.26 -4.78 119.74 115.52 2jyc s LYS 64 Ca 0.13 -2.13 -0.34 0.00 -1.36 0.00 0.00 55.97 52.27 2jyc s LYS 64 Cb -0.10 -1.10 -0.11 0.00 -1.68 0.00 0.00 37.83 34.84 2jyc s LYS 64 CO 0.03 -0.27 2.13 -1.13 -0.76 0.00 0.00 175.35 175.35 2jyc n SER 65 N -1.03 2.51 0.00 2.83 3.41 -1.25 -0.30 113.62 119.79 2jyc n SER 65 Ca -0.08 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2jyc n SER 65 Cb 0.66 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jyc n GLY 66 N 5.99 1.05 3.58 5.00 0.00 0.85 -4.93 105.19 116.73 2jyc n GLY 66 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.21 1.99 -0.06 1.61 2.02 0.59 -3.54 118.70 121.09 2jyc s GLU 67 Ca 0.00 -1.70 0.05 0.00 0.02 0.00 0.00 54.97 53.34 2jyc s GLU 67 Cb 0.00 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 2jyc s GLU 67 CO 0.00 0.24 -0.24 0.54 0.02 0.00 0.00 175.26 175.82 2jyc s VAL 68 N -2.48 1.97 -0.12 2.63 0.11 -1.26 -0.93 120.40 120.31 2jyc s VAL 68 Ca 0.32 -1.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.31 2jyc s VAL 68 Cb -0.03 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2jyc s VAL 68 CO 0.18 0.55 0.10 0.00 -3.33 0.00 0.00 175.10 172.60 2jyc s ALA 69 N -0.02 3.68 0.00 1.54 0.00 0.34 -4.94 121.76 122.37 2jyc s ALA 69 Ca -0.07 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2jyc s ALA 69 Cb -0.14 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 2jyc s ALA 69 CO 0.05 0.54 -0.14 0.54 0.00 0.00 0.00 175.76 176.75 2jyc s VAL 70 N -0.77 1.11 0.02 0.00 0.11 -1.26 0.09 120.40 119.70 2jyc s VAL 70 Ca 0.13 -0.70 0.09 0.00 -2.93 0.00 0.00 61.98 58.57 2jyc s VAL 70 Cb -0.12 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2jyc s VAL 70 CO 0.03 0.24 -0.26 -0.76 -3.33 0.00 0.00 175.10 171.02 2jyc s LEU 71 N -0.53 2.15 -0.18 2.54 1.43 0.24 -4.94 118.68 119.40 2jyc s LEU 71 Ca 0.05 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2jyc s LEU 71 Cb -0.06 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 2jyc s LEU 71 CO -0.00 0.28 -0.04 -0.75 0.23 0.00 0.00 176.35 176.07 2jyc s LYS 72 N -1.02 3.57 0.31 1.70 2.20 -1.26 0.25 119.74 125.50 2jyc s LYS 72 Ca 0.11 -0.56 0.04 0.00 -0.36 0.00 0.00 55.97 55.21 2jyc s LYS 72 Cb -0.10 -2.95 -0.06 0.00 -1.51 0.00 0.00 37.83 33.21 2jyc s LYS 72 CO 0.01 0.09 0.04 0.50 -0.36 0.00 0.00 175.35 175.63 2jyc s ARG 73 N 0.76 1.62 -0.28 4.03 6.06 -0.75 -5.01 118.95 125.38 2jyc s ARG 73 Ca -0.01 -1.88 -0.28 0.00 -2.50 0.00 0.00 55.73 51.06 2jyc s ARG 73 Cb -0.14 -0.89 -0.06 0.00 0.06 0.00 0.00 34.95 33.92 2jyc s ARG 73 CO 0.02 -0.15 2.27 -0.25 -2.50 0.00 0.00 175.30 174.69 2jyc n ASP 74 N -0.65 3.01 0.00 -2.12 9.92 -1.26 -2.88 116.55 122.57 2jyc n ASP 74 Ca -0.03 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2jyc n ASP 74 Cb 0.66 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jyc n GLY 75 N 5.86 3.08 3.18 0.44 0.00 -1.26 -4.76 105.19 111.73 2jyc n GLY 75 Ca 0.32 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 0.97 0.19 1.61 1.70 -1.14 -4.75 118.95 117.53 2jyc s ARG 76 Ca 0.00 -1.41 -0.05 0.00 -0.47 0.00 0.00 55.73 53.80 2jyc s ARG 76 Cb 0.00 0.26 -0.06 0.00 -0.57 0.00 0.00 34.95 34.58 2jyc s ARG 76 CO 0.00 -0.29 0.44 0.71 -1.08 0.00 0.00 175.30 175.08 2jyc s TYR 77 N -4.04 3.46 -0.16 5.89 1.51 -1.26 -1.81 117.35 120.95 2jyc s TYR 77 Ca 0.24 0.62 0.02 0.00 -1.01 0.00 0.00 57.07 56.93 2jyc s TYR 77 Cb 0.07 -2.06 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 2jyc s TYR 77 CO 0.02 0.36 -0.20 0.42 -1.11 0.00 0.00 175.55 175.04 2jyc s ILE 78 N -1.77 2.19 -0.23 2.71 -1.09 0.14 -1.84 121.20 121.31 2jyc s ILE 78 Ca 0.43 -0.92 -0.09 0.00 -2.23 0.00 0.00 60.65 57.83 2jyc s ILE 78 Cb -0.12 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.82 2jyc s ILE 78 CO 0.25 0.54 0.12 -0.31 -1.23 0.00 0.00 174.94 174.30 2jyc s TYR 79 N 0.97 3.24 -0.41 3.97 1.51 0.17 -0.59 117.35 126.21 2jyc s TYR 79 Ca -0.03 0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.04 2jyc s TYR 79 Cb -0.15 -2.22 0.11 0.00 -0.11 0.00 0.00 41.96 39.59 2jyc s TYR 79 CO -0.05 -0.02 0.20 0.71 -1.11 0.00 0.00 175.55 175.28 2jyc s TYR 80 N 1.03 3.56 -0.22 2.71 1.51 0.11 -1.41 117.35 124.64 2jyc s TYR 80 Ca 0.06 -2.34 -0.29 0.00 -1.01 0.00 0.00 57.07 53.48 2jyc s TYR 80 Cb -0.14 -3.17 -0.00 0.00 -0.11 0.00 0.00 41.96 38.54 2jyc s TYR 80 CO 0.04 -0.96 1.17 -0.51 -1.11 0.00 0.00 175.55 174.18 2jyc s LEU 81 N 1.16 4.09 -0.84 -1.29 1.43 0.96 -0.50 118.68 123.69 2jyc s LEU 81 Ca 0.07 1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 54.41 2jyc s LEU 81 Cb -0.23 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.54 2jyc s LEU 81 CO -0.04 -0.78 1.16 -0.63 0.23 0.00 0.00 176.35 176.29 2jyc s ILE 82 N 3.53 4.32 -0.61 -0.59 -1.09 -0.11 0.23 121.20 126.87 2jyc s ILE 82 Ca 0.50 -0.79 0.14 0.00 -2.23 0.00 0.00 60.65 58.27 2jyc s ILE 82 Cb -0.18 -4.82 -0.16 0.00 -1.58 0.00 0.00 42.46 35.72 2jyc s ILE 82 CO 0.13 -1.62 0.57 0.41 -1.23 0.00 0.00 174.94 173.20 2jyc n THR 83 N 6.02 0.00 -4.47 2.92 -1.04 -0.81 -0.10 114.28 116.80 2jyc n THR 83 Ca 0.15 -0.18 -0.26 0.00 -2.04 0.00 0.00 64.05 61.72 2jyc n THR 83 Cb 0.48 0.94 -0.17 0.00 -1.82 0.00 0.00 70.33 69.77 2jyc n THR 83 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2jyc s LYS 84 N -2.37 1.77 0.00 -2.82 1.02 -1.12 -4.18 119.74 112.05 2jyc s LYS 84 Ca 0.05 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.62 2jyc s LYS 84 Cb 0.10 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.89 2jyc s LYS 84 CO 0.58 -0.03 0.41 1.63 -0.92 0.00 0.00 175.35 177.01 2jyc n LYS 85 N 4.04 0.00 -2.30 1.68 5.02 -1.26 -1.65 118.16 123.69 2jyc n LYS 85 Ca -0.21 0.17 -0.31 0.00 -2.02 0.00 0.00 58.31 55.94 2jyc n LYS 85 Cb 0.51 -0.97 -0.01 0.00 -0.02 0.00 0.00 35.03 34.54 2jyc n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jyc s ARG 86 N -1.15 3.73 0.54 1.97 1.81 -1.26 0.01 118.95 124.61 2jyc s ARG 86 Ca 0.00 0.70 0.22 0.00 -1.72 0.00 0.00 55.73 54.93 2jyc s ARG 86 Cb 0.00 -2.19 1.44 0.00 -0.45 0.00 0.00 34.95 33.75 2jyc s ARG 86 CO 0.00 -0.34 2.12 0.00 -0.68 0.00 0.00 175.30 176.40 2jyc h ALA 87 N 0.40 2.03 -0.11 2.13 0.00 -1.92 0.25 119.26 122.04 2jyc h ALA 87 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jyc h ALA 87 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jyc h ALA 87 CO 0.62 -0.21 0.00 0.45 0.00 0.00 0.00 179.25 180.11 2jyc n SER 88 N -4.29 0.73 -4.78 0.00 2.88 -1.26 -4.82 113.62 102.08 2jyc n SER 88 Ca 0.01 -1.78 -0.39 0.00 -1.33 0.00 0.00 58.87 55.38 2jyc n SER 88 Cb 0.26 -0.07 -0.06 0.00 -0.75 0.00 0.00 64.21 63.59 2jyc n SER 88 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2jyc s HIS 89 N -1.86 3.83 -0.12 0.66 3.76 0.86 -5.04 115.29 117.39 2jyc s HIS 89 Ca 0.19 1.44 -0.21 0.00 -0.15 0.00 0.00 55.06 56.33 2jyc s HIS 89 Cb 0.10 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 2jyc s HIS 89 CO 0.15 0.50 0.60 0.15 -0.85 0.00 0.00 174.74 175.28 2jyc s LYS 90 N -0.90 4.35 0.31 1.40 1.02 -1.26 -4.78 119.74 119.88 2jyc s LYS 90 Ca 0.33 0.65 -0.29 0.00 0.02 0.00 0.00 55.97 56.68 2jyc s LYS 90 Cb -0.21 -3.47 -0.13 0.00 -0.52 0.00 0.00 37.83 33.50 2jyc s LYS 90 CO 0.22 0.03 1.32 -0.35 -0.92 0.00 0.00 175.35 175.65 2jyc n PRO 91 N 4.04 2.09 -4.27 -1.68 -0.04 -1.26 -4.90 135.00 128.98 2jyc n PRO 91 Ca -0.04 0.73 -0.25 0.00 -0.04 0.00 0.00 63.50 63.91 2jyc n PRO 91 Cb 0.51 -2.33 -0.08 0.00 -0.04 0.00 0.00 33.50 31.56 2jyc n PRO 91 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jyc s THR 92 N -0.78 3.48 0.12 0.52 -4.23 -1.26 -4.82 115.64 108.68 2jyc s THR 92 Ca 0.59 -1.73 -0.21 0.00 -1.18 0.00 0.00 61.69 59.17 2jyc s THR 92 Cb -0.59 -2.81 -0.07 0.00 1.34 0.00 0.00 72.50 70.37 2jyc s THR 92 CO 0.58 -0.25 1.72 1.88 -0.54 0.00 0.00 174.62 178.02 2jyc h TYR 93 N 2.30 -0.02 -0.11 3.99 0.05 -1.97 -0.28 116.97 120.92 2jyc h TYR 93 Ca -0.46 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.34 2jyc h TYR 93 Cb 1.23 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 2jyc h TYR 93 CO 0.66 -0.03 0.07 1.49 -1.05 0.00 0.00 178.16 179.30 2jyc h GLU 94 N 0.04 0.15 -0.55 4.88 4.81 -1.97 0.28 114.58 122.21 2jyc h GLU 94 Ca 0.07 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2jyc h GLU 94 Cb 0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2jyc h GLU 94 CO -0.12 0.12 0.28 -0.91 -0.73 0.00 0.00 179.01 177.65 2jyc h ASN 95 N 0.14 0.71 -0.34 1.04 2.35 -1.86 0.19 115.58 117.81 2jyc h ASN 95 Ca 0.04 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2jyc h ASN 95 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2jyc h ASN 95 CO -0.01 0.62 0.08 0.25 -1.65 0.00 0.00 177.43 176.72 2jyc h LEU 96 N 0.74 0.52 -0.30 1.61 5.85 -0.81 -1.28 115.31 121.63 2jyc h LEU 96 Ca 0.19 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2jyc h LEU 96 Cb 0.09 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2jyc h LEU 96 CO -0.03 0.62 -0.08 -0.61 -0.34 0.00 0.00 178.44 178.00 2jyc h GLN 97 N 0.39 -0.00 -0.21 1.25 4.15 -0.09 0.35 115.11 120.95 2jyc h GLN 97 Ca 0.11 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 2jyc h GLN 97 Cb 0.31 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2jyc h GLN 97 CO 0.00 -0.00 -0.11 0.87 -1.93 0.00 0.00 178.83 177.66 2jyc h LYS 98 N -0.00 0.34 -0.20 1.69 1.79 -0.51 -1.65 116.57 118.03 2jyc h LYS 98 Ca 0.15 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 2jyc h LYS 98 Cb 0.22 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2jyc h LYS 98 CO -0.31 0.46 -0.06 0.77 -1.08 0.00 0.00 179.45 179.22 2jyc h SER 99 N 0.32 0.40 -0.65 0.86 0.02 -0.08 -2.05 113.55 112.38 2jyc h SER 99 Ca 0.07 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2jyc h SER 99 Cb 0.40 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2jyc h SER 99 CO 0.02 0.69 0.41 -0.07 -1.14 0.00 0.00 176.83 176.74 2jyc h LEU 100 N 0.11 0.68 -0.57 5.07 -0.00 -0.69 0.67 115.31 120.57 2jyc h LEU 100 Ca 0.05 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.79 2jyc h LEU 100 Cb 0.53 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 2jyc h LEU 100 CO 0.02 0.47 -0.28 1.05 -0.00 0.00 0.00 178.44 179.71 2jyc h GLU 101 N 0.81 0.84 -0.40 1.13 -0.00 -1.26 0.25 114.58 115.95 2jyc h GLU 101 Ca 0.26 -0.38 -0.01 0.00 -0.00 0.00 0.00 59.36 59.23 2jyc h GLU 101 Cb -0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.71 2jyc h GLU 101 CO -0.09 1.01 0.19 0.00 -0.00 0.00 0.00 179.01 180.13 2jyc h ALA 102 N 0.96 0.52 0.13 1.06 0.00 -1.20 -2.69 119.26 118.04 2jyc h ALA 102 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jyc h ALA 102 Cb 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2jyc h ALA 102 CO 0.07 0.08 -0.06 1.98 0.00 0.00 0.00 179.25 181.32 2jyc h MET 103 N 0.51 -0.16 -0.80 0.00 1.85 -0.49 -2.67 114.93 113.18 2jyc h MET 103 Ca 0.14 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.21 2jyc h MET 103 Cb 0.12 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.15 2jyc h MET 103 CO -0.02 0.09 0.38 1.57 -0.40 0.00 0.00 176.91 178.53 2jyc h LYS 104 N -0.40 1.16 -0.10 0.39 5.09 -0.54 -2.27 116.57 119.90 2jyc h LYS 104 Ca -0.02 -0.18 -0.10 0.00 0.09 0.00 0.00 60.65 60.44 2jyc h LYS 104 Cb 0.32 -0.21 -0.01 0.00 0.10 0.00 0.00 32.23 32.43 2jyc h LYS 104 CO 0.03 0.90 -0.40 0.77 -2.09 0.00 0.00 179.45 178.66 2jyc h SER 105 N 1.14 0.22 -0.40 7.07 0.02 -1.52 -2.77 113.55 117.31 2jyc h SER 105 Ca 0.27 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2jyc h SER 105 Cb 0.13 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2jyc h SER 105 CO -0.03 0.60 -0.17 -0.74 -1.14 0.00 0.00 176.83 175.35 2jyc h HIS 106 N 0.18 0.99 -0.70 3.45 -0.00 -1.08 -3.07 115.15 114.92 2jyc h HIS 106 Ca 0.02 -0.21 0.14 0.00 -0.00 0.00 0.00 60.37 60.32 2jyc h HIS 106 Cb 0.78 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.91 2jyc h HIS 106 CO 0.01 0.97 0.47 0.00 -0.00 0.00 0.00 177.93 179.39 2jyc h LEU 108 N 0.35 0.30 -1.09 0.00 -0.00 -1.62 0.34 115.31 113.59 2jyc h LEU 108 Ca 0.34 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 58.10 2jyc h LEU 108 Cb 0.82 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2jyc h LEU 108 CO -0.09 0.49 -0.21 0.11 -0.00 0.00 0.00 178.44 178.74 2jyc h LYS 109 N 0.29 0.00 0.00 1.13 1.57 -0.80 -3.19 116.57 115.57 2jyc h LYS 109 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jyc h LYS 109 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2jyc h LYS 109 CO 0.03 0.21 -1.30 0.27 -0.57 0.00 0.00 179.45 178.09 2jyc n ASN 110 N -3.36 2.51 -0.27 0.86 0.23 -1.11 -5.04 115.26 109.08 2jyc n ASN 110 Ca 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 2jyc n ASN 110 Cb 0.43 1.38 0.00 0.00 -2.08 0.00 0.00 39.78 39.51 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jyc n GLY 111 N 1.86 0.98 3.32 4.83 0.00 0.10 -5.07 105.19 111.21 2jyc n GLY 111 Ca -0.01 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.54 3.09 -0.04 1.61 1.01 -0.41 -4.96 120.40 118.16 2jyc s VAL 112 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2jyc s VAL 112 Cb 0.00 -2.35 0.09 0.00 0.00 0.00 0.00 36.38 34.12 2jyc s VAL 112 CO 0.00 0.48 0.96 0.35 0.00 0.00 0.00 175.10 176.89 2jyc n THR 113 N 4.20 0.92 -3.98 3.92 -2.24 -1.26 -4.51 114.28 111.33 2jyc n THR 113 Ca -0.18 -1.04 -0.25 0.00 -2.27 0.00 0.00 64.05 60.31 2jyc n THR 113 Cb 0.52 0.36 -0.17 0.00 -2.10 0.00 0.00 70.33 68.93 2jyc n THR 113 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jyc s ASP 114 N -1.41 1.84 -0.04 3.42 1.11 -1.26 0.04 116.67 120.36 2jyc s ASP 114 Ca 0.10 -0.23 0.01 0.00 0.18 0.00 0.00 52.55 52.62 2jyc s ASP 114 Cb 0.09 -0.69 0.02 0.00 1.07 0.00 0.00 42.92 43.41 2jyc s ASP 114 CO 0.01 -0.11 -0.05 -0.76 1.18 0.00 0.00 175.17 175.44 2jyc s LEU 115 N 1.56 1.38 -0.15 1.23 1.43 -0.80 -1.58 118.68 121.75 2jyc s LEU 115 Ca 0.01 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2jyc s LEU 115 Cb -0.13 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 2jyc s LEU 115 CO -0.05 -0.04 -0.13 -0.94 0.23 0.00 0.00 176.35 175.42 2jyc s SER 116 N 0.85 3.89 0.02 2.29 1.04 0.75 -0.34 113.70 122.20 2jyc s SER 116 Ca -0.12 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 55.95 2jyc s SER 116 Cb -0.14 -1.60 -0.02 0.00 0.10 0.00 0.00 66.02 64.36 2jyc s SER 116 CO 0.01 0.11 -0.12 0.00 0.98 0.00 0.00 173.24 174.22 2jyc s MET 117 N 0.67 0.86 0.83 4.02 0.23 0.13 -2.94 119.30 123.10 2jyc s MET 117 Ca -0.07 -0.59 -0.11 0.00 -1.03 0.00 0.00 55.69 53.90 2jyc s MET 117 Cb -0.15 -0.83 0.09 0.00 -1.53 0.00 0.00 34.83 32.41 2jyc s MET 117 CO 0.02 0.21 1.10 -1.25 -2.03 0.00 0.00 175.02 173.08 2jyc s PRO 118 N -0.78 1.75 -0.65 3.16 0.04 -1.25 0.12 135.00 137.39 2jyc s PRO 118 Ca 0.02 1.20 -0.26 0.00 0.04 0.00 0.00 61.00 62.00 2jyc s PRO 118 Cb -0.06 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 2jyc s PRO 118 CO 0.00 -2.01 2.45 2.89 0.04 0.00 0.00 177.00 180.38 2jyc n ARG 119 N -3.77 0.73 -0.79 4.56 1.85 0.38 -4.65 116.66 114.97 2jyc n ARG 119 Ca 0.09 -0.17 -0.15 0.00 -1.00 0.00 0.00 57.85 56.63 2jyc n ARG 119 Cb 0.53 -3.07 0.05 0.00 -1.05 0.00 0.00 32.46 28.92 2jyc n ARG 119 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2jyc n ILE 120 N 7.96 2.54 -1.18 8.89 -5.35 -1.26 -4.83 119.36 126.13 2jyc n ILE 120 Ca 0.45 -1.40 -0.36 0.00 -0.27 0.00 0.00 62.75 61.17 2jyc n ILE 120 Cb 0.42 -1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 37.12 2jyc n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jyc n GLY 121 N 0.20 3.40 0.59 3.28 0.00 -1.26 -4.81 105.19 106.58 2jyc n GLY 121 Ca 0.29 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 45.12 2jyc n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc n GLY 123 N -2.93 2.38 0.00 0.00 0.00 -1.26 -4.95 105.19 98.43 2jyc n GLY 123 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2jyc n GLY 123 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jyc n LEU 124 N -0.27 0.00 0.00 0.99 7.94 -1.26 -4.56 117.00 119.84 2jyc n LEU 124 Ca 0.09 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.05 2jyc n LEU 124 Cb 0.86 0.00 0.35 0.00 0.53 0.00 0.00 43.42 45.17 2jyc n LEU 124 CO -0.02 0.00 0.62 0.47 -1.11 0.00 0.00 177.39 177.35 2jyc n ASP 125 N 0.00 0.00 0.19 1.96 8.00 -1.26 -2.34 116.55 123.10 2jyc n ASP 125 Ca 0.00 -0.19 0.05 0.00 0.71 0.00 0.00 54.79 55.36 2jyc n ASP 125 Cb 0.00 -0.12 0.35 0.00 -0.02 0.00 0.00 41.12 41.33 2jyc n ASP 125 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2jyc h ARG 126 N 0.00 0.00 0.08 -1.24 2.43 -1.99 -3.25 114.38 110.42 2jyc h ARG 126 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jyc h ARG 126 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2jyc h ARG 126 CO 0.00 0.39 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.74 2jyc h LEU 127 N 0.00 -0.10 -0.79 3.80 4.07 -1.83 -3.50 115.31 116.96 2jyc h LEU 127 Ca -0.00 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.71 2jyc h LEU 127 Cb 0.84 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.60 2jyc h LEU 127 CO 0.05 0.20 -0.40 1.67 -1.08 0.00 0.00 178.44 178.88 2jyc n GLN 128 N -5.01 -2.28 -0.05 1.13 7.27 -1.23 -4.30 117.38 112.92 2jyc n GLN 128 Ca -0.08 1.75 0.21 0.00 0.07 0.00 0.00 57.00 58.94 2jyc n GLN 128 Cb 0.18 -1.78 0.67 0.00 2.41 0.00 0.00 30.24 31.72 2jyc n GLN 128 CO 0.00 0.00 0.00 2.35 0.07 0.00 0.00 177.06 179.48 2jyc h TRP 129 N 1.50 0.07 -0.54 3.69 2.91 -1.92 0.62 115.95 122.28 2jyc h TRP 129 Ca 0.00 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.11 2jyc h TRP 129 Cb 0.00 -0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 28.55 2jyc h TRP 129 CO 0.00 0.03 0.13 1.49 -1.03 0.00 0.00 178.44 179.05 2jyc h GLU 130 N 0.06 0.26 -0.02 2.65 4.81 -1.99 0.63 114.58 120.98 2jyc h GLU 130 Ca 0.29 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.35 2jyc h GLU 130 Cb 1.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2jyc h GLU 130 CO -0.02 0.17 -0.69 -0.91 -0.73 0.00 0.00 179.01 176.83 2jyc h ASN 131 N 0.27 0.15 0.11 1.04 2.35 -1.08 -1.53 115.58 116.89 2jyc h ASN 131 Ca 0.27 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2jyc h ASN 131 Cb 0.37 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2jyc h ASN 131 CO -0.34 0.79 -0.05 0.58 -1.65 0.00 0.00 177.43 176.76 2jyc h VAL 132 N 0.09 1.09 -0.27 2.81 2.07 -0.79 -1.05 116.25 120.20 2jyc h VAL 132 Ca -0.01 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.55 2jyc h VAL 132 Cb 1.22 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 2jyc h VAL 132 CO 0.10 0.23 0.11 -1.28 0.02 0.00 0.00 177.57 176.75 2jyc h SER 133 N -0.62 0.15 -0.39 0.57 0.87 0.23 -0.57 113.55 113.79 2jyc h SER 133 Ca -0.02 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2jyc h SER 133 Cb 0.49 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2jyc h SER 133 CO 0.03 0.12 0.16 0.00 -0.53 0.00 0.00 176.83 176.61 2jyc h ALA 134 N 1.15 0.47 -0.42 6.23 0.00 -1.31 -0.46 119.26 124.92 2jyc h ALA 134 Ca 0.11 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2jyc h ALA 134 Cb 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2jyc h ALA 134 CO -0.10 -0.22 0.11 1.98 0.00 0.00 0.00 179.25 181.02 2jyc h MET 135 N 0.34 0.24 -0.47 0.00 -1.53 -0.68 0.30 114.93 113.14 2jyc h MET 135 Ca 0.17 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.41 2jyc h MET 135 Cb 0.12 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 2jyc h MET 135 CO -0.15 0.16 0.25 0.82 0.14 0.00 0.00 176.91 178.13 2jyc h ILE 136 N 0.25 1.17 -0.05 1.77 2.04 -0.59 0.25 117.51 122.34 2jyc h ILE 136 Ca 0.20 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2jyc h ILE 136 Cb 0.23 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2jyc h ILE 136 CO -0.24 0.18 -0.31 -0.33 0.00 0.00 0.00 178.15 177.44 2jyc h GLU 137 N 0.61 0.09 0.07 2.37 5.08 -0.39 -0.84 114.58 121.57 2jyc h GLU 137 Ca 0.16 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2jyc h GLU 137 Cb 0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2jyc h GLU 137 CO -0.03 0.40 -0.03 0.93 -1.00 0.00 0.00 179.01 179.28 2jyc h GLU 138 N 0.08 -0.09 -0.67 2.33 5.08 0.32 -2.78 114.58 118.86 2jyc h GLU 138 Ca 0.01 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2jyc h GLU 138 Cb 0.60 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2jyc h GLU 138 CO 0.04 0.42 0.12 0.28 -1.00 0.00 0.00 179.01 178.87 2jyc h VAL 139 N -0.65 1.26 0.00 3.13 2.07 -0.86 -2.55 116.25 118.65 2jyc h VAL 139 Ca -0.01 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2jyc h VAL 139 Cb 0.54 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2jyc h VAL 139 CO 0.02 0.38 0.00 0.49 0.02 0.00 0.00 177.57 178.48 2jyc n PHE 140 N -4.22 0.53 -1.59 1.57 3.72 -0.33 -4.89 117.46 112.25 2jyc n PHE 140 Ca 0.05 0.19 -0.47 0.00 -0.05 0.00 0.00 57.45 57.16 2jyc n PHE 140 Cb 0.28 -0.80 -0.03 0.00 -0.94 0.00 0.00 39.48 37.99 2jyc n PHE 140 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2jyc n GLU 141 N -1.96 1.28 -0.57 -1.08 0.28 -0.96 -1.00 120.64 116.62 2jyc n GLU 141 Ca 0.04 0.45 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 2jyc n GLU 141 Cb 0.27 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.22 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jyc n ALA 142 N 1.17 0.00 -2.02 -1.84 0.00 -1.26 -5.03 120.51 111.53 2jyc n ALA 142 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 2jyc n ALA 142 Cb 0.27 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.80 2jyc n ALA 142 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jyc s THR 143 N -3.57 2.17 -0.10 0.00 -4.23 -0.17 -5.03 115.64 104.70 2jyc s THR 143 Ca 0.00 -0.88 0.14 0.00 -1.18 0.00 0.00 61.69 59.76 2jyc s THR 143 Cb 0.00 -2.28 0.24 0.00 1.34 0.00 0.00 72.50 71.80 2jyc s THR 143 CO 0.00 0.00 1.12 -0.90 -0.54 0.00 0.00 174.62 174.30 2jyc n ASP 144 N -2.40 1.64 -4.69 3.99 5.75 -1.26 -5.03 116.55 114.54 2jyc n ASP 144 Ca 0.15 -2.86 -0.42 0.00 -0.01 0.00 0.00 54.79 51.65 2jyc n ASP 144 Cb 0.61 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2jyc s ILE 145 N -2.08 4.68 0.25 2.12 1.01 -1.26 -4.85 121.20 121.09 2jyc s ILE 145 Ca 0.25 1.95 -0.17 0.00 0.00 0.00 0.00 60.65 62.69 2jyc s ILE 145 Cb 0.23 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 2jyc s ILE 145 CO 0.00 0.03 0.70 -0.54 0.00 0.00 0.00 174.94 175.13 2jyc s LYS 146 N 1.88 4.10 -0.21 2.79 -0.14 0.11 -4.96 119.74 123.30 2jyc s LYS 146 Ca 0.50 0.71 0.00 0.00 -1.36 0.00 0.00 55.97 55.83 2jyc s LYS 146 Cb -0.20 -2.69 0.02 0.00 -1.68 0.00 0.00 37.83 33.28 2jyc s LYS 146 CO 0.20 0.30 -0.13 0.42 -0.76 0.00 0.00 175.35 175.38 2jyc s ILE 147 N -1.72 2.43 -0.28 2.17 -1.09 -0.13 -1.91 121.20 120.67 2jyc s ILE 147 Ca 0.47 -1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 57.86 2jyc s ILE 147 Cb -0.14 -2.15 0.04 0.00 -1.58 0.00 0.00 42.46 38.64 2jyc s ILE 147 CO 0.19 0.36 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.34 2jyc s THR 148 N 1.29 2.86 -0.28 2.92 2.01 0.54 -0.89 115.64 124.10 2jyc s THR 148 Ca 0.02 -1.30 -0.11 0.00 0.31 0.00 0.00 61.69 60.61 2jyc s THR 148 Cb -0.15 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 2jyc s THR 148 CO -0.09 -0.01 0.18 -0.69 -0.69 0.00 0.00 174.62 173.33 2jyc s VAL 149 N 1.26 5.23 -0.14 3.82 1.01 0.11 0.21 120.40 131.91 2jyc s VAL 149 Ca -0.04 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2jyc s VAL 149 Cb -0.19 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2jyc s VAL 149 CO -0.03 0.26 0.44 -0.31 0.00 0.00 0.00 175.10 175.46 2jyc s TYR 150 N 1.72 3.49 -0.25 5.22 1.51 0.12 0.45 117.35 129.60 2jyc s TYR 150 Ca 0.07 0.81 -0.18 0.00 -1.01 0.00 0.00 57.07 56.76 2jyc s TYR 150 Cb -0.16 -2.51 -0.03 0.00 -0.11 0.00 0.00 41.96 39.15 2jyc s TYR 150 CO 0.10 0.16 0.50 0.95 -1.11 0.00 0.00 175.55 176.15 2jyc s THR 151 N 0.68 5.08 0.00 -0.71 -4.23 0.79 -0.47 115.64 116.78 2jyc s THR 151 Ca 0.23 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 2jyc s THR 151 Cb -0.15 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2jyc s THR 151 CO 0.09 0.10 0.00 -0.11 -0.54 0.00 0.00 174.62 174.16