#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 2.85 -0.28 0.62 0.00 -1.26 -4.94 121.76 118.75 2jyc s ALA 2 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2jyc s ALA 2 Cb 0.00 -4.16 0.09 0.00 0.00 0.00 0.00 23.12 19.05 2jyc s ALA 2 CO 0.00 -3.07 0.06 0.45 0.00 0.00 0.00 175.76 173.20 2jyc s SER 3 N 3.52 3.88 0.33 0.00 0.15 -1.26 -5.11 113.70 115.20 2jyc s SER 3 Ca 0.36 -1.49 0.06 0.00 0.70 0.00 0.00 55.95 55.58 2jyc s SER 3 Cb -0.09 -0.92 -0.06 0.00 -1.71 0.00 0.00 66.02 63.24 2jyc s SER 3 CO 0.17 -0.37 0.00 -0.44 1.20 0.00 0.00 173.24 173.80 2jyc s SER 4 N 1.57 2.85 -0.55 5.45 0.01 -1.26 -4.92 113.70 116.85 2jyc s SER 4 Ca 0.06 -1.31 -0.11 0.00 1.31 0.00 0.00 55.95 55.91 2jyc s SER 4 Cb -0.18 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 65.88 2jyc s SER 4 CO -0.19 -0.47 0.64 0.18 0.41 0.00 0.00 173.24 173.81 2jyc n LEU 5 N -0.71 -7.17 -3.18 2.44 4.32 -1.26 -5.04 117.00 106.40 2jyc n LEU 5 Ca -0.04 0.25 0.01 0.00 -0.02 0.00 0.00 56.01 56.22 2jyc n LEU 5 Cb 0.65 -3.26 -0.01 0.00 -1.62 0.00 0.00 43.42 39.19 2jyc n LEU 5 CO 0.43 -1.76 0.12 0.21 -1.22 0.00 0.00 177.39 175.17 2jyc s ASN 6 N -2.71 -1.45 0.35 -1.43 2.47 -1.26 -5.15 114.94 105.75 2jyc s ASN 6 Ca 0.16 -0.70 0.09 0.00 0.42 0.00 0.00 52.86 52.83 2jyc s ASN 6 Cb -0.04 1.86 -0.05 0.00 -1.45 0.00 0.00 41.25 41.57 2jyc s ASN 6 CO 0.77 -0.17 0.03 -1.61 -3.72 0.00 0.00 177.10 172.41 2jyc s GLU 7 N 1.90 2.10 0.07 0.43 2.02 -1.26 -5.12 118.70 118.84 2jyc s GLU 7 Ca 0.16 -1.76 0.04 0.00 0.02 0.00 0.00 54.97 53.43 2jyc s GLU 7 Cb -0.04 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 2jyc s GLU 7 CO -0.08 0.11 -0.12 -0.51 0.02 0.00 0.00 175.26 174.67 2jyc s ASP 8 N -3.74 1.49 0.39 -0.19 1.11 -1.26 -5.12 116.67 109.35 2jyc s ASP 8 Ca 0.35 -0.63 -0.28 0.00 0.18 0.00 0.00 52.55 52.17 2jyc s ASP 8 Cb 0.00 -0.03 -0.10 0.00 1.07 0.00 0.00 42.92 43.87 2jyc s ASP 8 CO 0.20 -0.13 1.44 -2.16 1.18 0.00 0.00 175.17 175.70 2jyc s PRO 9 N -1.87 4.06 -0.61 8.23 0.04 -1.26 -4.97 135.00 138.61 2jyc s PRO 9 Ca -0.02 2.48 0.05 0.00 0.04 0.00 0.00 61.00 63.54 2jyc s PRO 9 Cb -0.09 -2.91 0.18 0.00 0.04 0.00 0.00 34.50 31.72 2jyc s PRO 9 CO 0.02 -0.54 0.49 0.39 0.04 0.00 0.00 177.00 177.40 2jyc n GLU 10 N 0.37 1.45 -1.13 4.56 1.02 -1.26 -4.85 120.64 120.79 2jyc n GLU 10 Ca 0.02 -4.12 -0.13 0.00 -0.02 0.00 0.00 57.16 52.91 2jyc n GLU 10 Cb 0.40 -2.08 0.15 0.00 -0.02 0.00 0.00 31.44 29.89 2jyc n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jyc n GLY 11 N 2.02 5.31 3.51 0.62 0.00 -1.26 -4.96 105.19 110.43 2jyc n GLY 11 Ca 0.24 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 2jyc n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jyc s SER 12 N -2.63 -0.43 0.21 1.61 0.15 -1.26 -5.05 113.70 106.30 2jyc s SER 12 Ca 0.49 -0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.97 2jyc s SER 12 Cb 0.42 0.51 0.16 0.00 -1.71 0.00 0.00 66.02 65.40 2jyc s SER 12 CO 0.01 -0.85 1.84 0.03 1.20 0.00 0.00 173.24 175.47 2jyc h ARG 13 N 2.00 1.06 -6.22 5.44 2.47 -1.92 -3.43 114.38 113.77 2jyc h ARG 13 Ca -0.27 -0.11 -0.69 0.00 -1.26 0.00 0.00 59.98 57.65 2jyc h ARG 13 Cb 1.27 -0.22 -0.27 0.00 -1.65 0.00 0.00 29.97 29.11 2jyc h ARG 13 CO 0.33 0.76 -0.82 0.42 0.56 0.00 0.00 179.97 181.23 2jyc s ILE 14 N -5.92 2.67 -0.06 2.04 1.01 -1.26 -1.87 121.20 117.81 2jyc s ILE 14 Ca -0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 2jyc s ILE 14 Cb 0.15 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.64 2jyc s ILE 14 CO 0.80 0.58 0.13 -0.89 0.00 0.00 0.00 174.94 175.55 2jyc s THR 15 N -0.48 -0.13 0.04 2.92 2.01 -1.00 -4.97 115.64 114.03 2jyc s THR 15 Ca 0.06 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.09 2jyc s THR 15 Cb -0.12 -0.23 -0.06 0.00 0.01 0.00 0.00 72.50 72.11 2jyc s THR 15 CO 0.01 0.11 0.73 -0.31 -0.69 0.00 0.00 174.62 174.48 2jyc s TYR 16 N 1.67 3.74 0.01 4.92 1.51 -1.26 0.42 117.35 128.36 2jyc s TYR 16 Ca -0.03 1.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 2jyc s TYR 16 Cb -0.12 -2.77 -0.01 0.00 -0.11 0.00 0.00 41.96 38.95 2jyc s TYR 16 CO -0.05 0.31 -0.02 0.08 -1.11 0.00 0.00 175.55 174.75 2jyc s VAL 17 N -0.16 0.12 -0.12 0.71 1.01 0.51 -4.94 120.40 117.53 2jyc s VAL 17 Ca 0.37 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 2jyc s VAL 17 Cb -0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 2jyc s VAL 17 CO 0.22 -0.13 0.19 -1.59 0.00 0.00 0.00 175.10 173.80 2jyc s LYS 18 N -0.47 3.74 0.00 2.72 0.00 -1.26 -0.50 119.74 123.97 2jyc s LYS 18 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 55.97 55.89 2jyc s LYS 18 Cb -0.03 -3.26 0.00 0.00 0.00 0.00 0.00 37.83 34.53 2jyc s LYS 18 CO -0.00 0.62 0.00 0.41 0.00 0.00 0.00 175.35 176.38 2jyc n GLY 19 N 2.40 -1.12 0.10 0.59 0.00 -1.25 -4.90 105.19 101.01 2jyc n GLY 19 Ca -0.17 -0.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 2jyc n GLY 19 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jyc h ASP 20 N 0.00 0.00 0.00 1.61 3.58 -1.96 -3.44 116.42 116.21 2jyc h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jyc h ASP 20 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2jyc h ASP 20 CO 0.00 0.80 0.00 -0.11 -2.88 0.00 0.00 179.24 177.05 2jyc n LEU 21 N -3.48 0.00 0.04 2.28 7.94 -1.26 -4.59 117.00 117.92 2jyc n LEU 21 Ca -0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.01 2jyc n LEU 21 Cb 0.79 0.00 0.48 0.00 0.53 0.00 0.00 43.42 45.22 2jyc n LEU 21 CO 0.44 0.00 0.87 0.49 -1.11 0.00 0.00 177.39 178.08 2jyc n PHE 22 N 0.00 0.31 1.00 1.96 3.72 -1.26 -2.78 117.46 120.41 2jyc n PHE 22 Ca 0.00 0.10 0.05 0.00 -0.05 0.00 0.00 57.45 57.55 2jyc n PHE 22 Cb 0.00 -0.67 0.14 0.00 -0.94 0.00 0.00 39.48 38.01 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 -1.60 2.46 -1.99 4.37 0.00 -1.26 -4.90 120.51 117.59 2jyc n ALA 23 Ca 0.05 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 2jyc n ALA 23 Cb 0.30 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.29 2.19 0.13 0.00 -0.02 -1.26 -4.87 135.00 129.87 2jyc n PRO 25 Ca 0.05 0.77 0.08 0.00 -2.02 0.00 0.00 63.50 62.39 2jyc n PRO 25 Cb 0.54 -2.43 0.45 0.00 -0.02 0.00 0.00 33.50 32.05 2jyc n PRO 25 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2jyc n LYS 26 N 1.52 0.11 0.15 -0.52 0.00 -1.26 -1.10 118.16 117.05 2jyc n LYS 26 Ca 0.09 0.60 0.13 0.00 -0.00 0.00 0.00 58.31 59.13 2jyc n LYS 26 Cb 0.34 -1.88 0.35 0.00 -0.00 0.00 0.00 35.03 33.84 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 -3.18 0.58 1.35 -1.89 -3.19 112.91 106.58 2jyc h THR 27 Ca 0.00 -0.62 -0.60 0.00 -0.55 0.00 0.00 66.41 64.64 2jyc h THR 27 Cb 0.05 1.60 -0.09 0.00 -1.73 0.00 0.00 68.15 67.98 2jyc h THR 27 CO 0.00 0.00 -0.33 -1.81 -0.25 0.00 0.00 175.52 173.13 2jyc s ASP 28 N -5.07 6.48 0.65 5.36 1.11 -0.26 -4.77 116.67 120.16 2jyc s ASP 28 Ca 0.09 0.56 0.00 0.00 0.18 0.00 0.00 52.55 53.38 2jyc s ASP 28 Cb 0.10 -2.18 0.08 0.00 1.07 0.00 0.00 42.92 41.99 2jyc s ASP 28 CO 0.60 0.17 0.90 -0.44 1.18 0.00 0.00 175.17 177.58 2jyc s SER 29 N 0.08 4.77 0.01 0.27 0.01 -0.30 -4.81 113.70 113.73 2jyc s SER 29 Ca 0.17 -0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.30 2jyc s SER 29 Cb -0.13 -0.39 -0.02 0.00 0.21 0.00 0.00 66.02 65.68 2jyc s SER 29 CO 0.05 -1.54 -0.24 -0.76 0.41 0.00 0.00 173.24 171.16 2jyc s LEU 30 N -4.97 2.10 -0.01 2.44 1.43 -1.11 0.20 118.68 118.75 2jyc s LEU 30 Ca 0.62 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2jyc s LEU 30 Cb -0.08 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.94 2jyc s LEU 30 CO 0.42 0.26 -0.02 0.00 0.23 0.00 0.00 176.35 177.24 2jyc s ALA 31 N -0.66 0.26 0.19 4.21 0.00 -1.10 0.22 121.76 124.89 2jyc s ALA 31 Ca 0.10 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 2jyc s ALA 31 Cb -0.09 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2jyc s ALA 31 CO 0.00 0.03 0.48 -1.58 0.00 0.00 0.00 175.76 174.69 2jyc s HIS 32 N 0.21 0.00 -0.13 0.00 5.04 0.74 -4.41 115.29 116.74 2jyc s HIS 32 Ca -0.02 -0.35 -0.08 0.00 -1.54 0.00 0.00 55.06 53.07 2jyc s HIS 32 Cb -0.04 0.31 -0.04 0.00 0.04 0.00 0.00 32.58 32.84 2jyc s HIS 32 CO -0.01 -0.89 0.15 0.00 -2.34 0.00 0.00 174.74 171.65 2jyc s ILE 34 N -0.80 0.00 0.31 0.00 -4.36 0.12 -4.86 121.20 111.61 2jyc s ILE 34 Ca 0.14 -1.85 -0.02 0.00 -0.26 0.00 0.00 60.65 58.67 2jyc s ILE 34 Cb -0.12 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 2jyc s ILE 34 CO 0.03 0.00 0.54 -0.94 0.24 0.00 0.00 174.94 174.81 2jyc s SER 35 N -3.17 6.35 0.46 4.36 1.04 -1.26 -1.89 113.70 119.60 2jyc s SER 35 Ca 0.35 0.54 0.23 0.00 0.48 0.00 0.00 55.95 57.56 2jyc s SER 35 Cb 0.04 -2.07 1.08 0.00 0.10 0.00 0.00 66.02 65.17 2jyc s SER 35 CO 0.14 -0.24 1.91 1.05 0.98 0.00 0.00 173.24 177.08 2jyc h GLU 36 N 1.19 0.00 0.00 4.02 -0.00 -0.44 -1.57 114.58 117.77 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 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2jyc h GLU 36 CO 0.64 0.22 0.00 0.22 -0.00 0.00 0.00 179.01 180.09 2jyc h ASP 37 N 0.00 0.00 -2.12 3.06 1.82 -1.74 -3.46 116.42 113.97 2jyc h ASP 37 Ca -0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.35 2jyc h ASP 37 Cb 0.60 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 2jyc h ASP 37 CO 0.03 0.00 -0.38 0.00 -1.61 0.00 0.00 179.24 177.28 2jyc h ARG 39 N -0.04 -0.35 0.00 0.00 2.47 -1.85 -3.45 114.38 111.17 2jyc h ARG 39 Ca -0.35 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2jyc h ARG 39 Cb 1.26 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 2jyc h ARG 39 CO 0.41 -0.23 0.00 -1.33 0.56 0.00 0.00 179.97 179.38 2jyc n MET 40 N -5.38 0.00 0.00 0.04 2.81 -1.26 -4.81 117.12 108.52 2jyc n MET 40 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2jyc n MET 40 Cb 0.30 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.81 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 1.25 3.41 3.03 0.00 -1.26 -4.84 105.19 106.77 2jyc n GLY 41 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.33 0.53 0.00 4.61 0.00 -1.26 -4.86 121.76 120.45 2jyc s ALA 42 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2jyc s ALA 42 Cb 0.00 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.35 2jyc s ALA 42 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2jyc n GLY 43 N -0.36 0.00 0.05 0.00 0.00 -1.26 -2.71 105.19 100.91 2jyc n GLY 43 Ca 0.00 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.17 2jyc n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jyc n ILE 44 N 0.00 0.28 -0.20 -0.61 3.06 -1.26 -3.32 119.36 117.31 2jyc n ILE 44 Ca 0.00 -0.14 -0.08 0.00 -2.50 0.00 0.00 62.75 60.03 2jyc n ILE 44 Cb 0.00 -0.52 0.05 0.00 0.54 0.00 0.00 39.64 39.71 2jyc n ILE 44 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jyc h ALA 45 N 2.77 0.88 -0.20 1.51 0.00 -1.92 0.11 119.26 122.41 2jyc h ALA 45 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2jyc h ALA 45 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jyc h ALA 45 CO 0.00 0.66 -0.22 -0.24 0.00 0.00 0.00 179.25 179.45 2jyc h VAL 46 N 0.95 1.24 -0.50 0.00 3.04 -1.51 -1.32 116.25 118.17 2jyc h VAL 46 Ca 0.17 -1.13 -0.07 0.00 -1.01 0.00 0.00 66.70 64.66 2jyc h VAL 46 Cb 0.54 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 2jyc h VAL 46 CO 0.03 0.35 0.00 -0.07 -1.01 0.00 0.00 177.57 176.87 2jyc h LEU 47 N 0.32 0.79 -0.49 3.16 3.38 -1.45 0.10 115.31 121.13 2jyc h LEU 47 Ca 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2jyc h LEU 47 Cb 0.57 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2jyc h LEU 47 CO 0.04 0.86 0.24 -0.26 0.09 0.00 0.00 178.44 179.41 2jyc h PHE 48 N 0.77 0.69 -0.10 1.13 0.04 0.13 0.23 116.94 119.84 2jyc h PHE 48 Ca 0.15 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.92 2jyc h PHE 48 Cb 0.46 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 2jyc h PHE 48 CO 0.03 0.54 -0.11 -0.22 -0.60 0.00 0.00 178.31 177.95 2jyc h LYS 49 N 0.64 -0.14 -0.76 1.51 3.11 -0.89 0.22 116.57 120.26 2jyc h LYS 49 Ca 0.17 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.03 2jyc h LYS 49 Cb 0.10 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.33 2jyc h LYS 49 CO -0.02 -0.09 0.50 0.87 -2.81 0.00 0.00 179.45 177.90 2jyc h LYS 50 N -0.14 0.97 0.12 1.90 1.57 -0.43 0.16 116.57 120.72 2jyc h LYS 50 Ca 0.07 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.59 2jyc h LYS 50 Cb 0.25 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.35 2jyc h LYS 50 CO -0.18 0.64 -0.98 0.87 -0.57 0.00 0.00 179.45 179.23 2jyc h LYS 51 N 1.00 0.25 0.00 3.15 1.79 -0.09 -3.40 116.57 119.27 2jyc h LYS 51 Ca 0.28 -0.43 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 2jyc h LYS 51 Cb -0.07 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2jyc h LYS 51 CO -0.07 1.21 -2.02 1.19 -1.08 0.00 0.00 179.45 178.68 2jyc n PHE 52 N -4.10 0.00 -1.66 -1.35 3.72 0.72 -4.97 117.46 109.82 2jyc n PHE 52 Ca -0.18 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.03 2jyc n PHE 52 Cb 0.83 -0.62 -0.07 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.61 1.54 2.77 1.37 0.00 0.56 -4.88 105.19 108.17 2jyc n GLY 53 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.43 5.80 0.20 -0.02 0.00 -1.26 -4.63 105.19 104.84 2jyc n GLY 54 Ca -0.20 -2.51 -0.15 0.00 0.00 0.00 0.00 46.02 43.16 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 2.11 1.32 -0.50 1.61 2.07 -1.91 -1.71 116.25 119.23 2jyc h VAL 55 Ca 0.55 -1.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 2jyc h VAL 55 Cb 0.18 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2jyc h VAL 55 CO 1.31 0.54 -0.10 1.56 0.02 0.00 0.00 177.57 180.90 2jyc h GLN 56 N 0.35 0.93 -0.90 1.57 1.08 -1.98 0.22 115.11 116.38 2jyc h GLN 56 Ca -0.01 -0.32 0.08 0.00 -1.45 0.00 0.00 58.65 56.94 2jyc h GLN 56 Cb 1.10 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.40 2jyc h GLN 56 CO 0.11 0.98 0.58 0.93 -0.95 0.00 0.00 178.83 180.48 2jyc h GLU 57 N 0.83 0.94 0.01 1.46 5.08 -1.87 0.41 114.58 121.44 2jyc h GLU 57 Ca 0.14 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2jyc h GLU 57 Cb 0.63 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2jyc h GLU 57 CO 0.04 0.62 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.60 2jyc h LEU 58 N 0.97 -0.01 -0.95 1.33 3.38 -0.77 -3.29 115.31 115.97 2jyc h LEU 58 Ca 0.40 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2jyc h LEU 58 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2jyc h LEU 58 CO -0.16 0.67 0.32 -0.07 0.09 0.00 0.00 178.44 179.30 2jyc h LEU 59 N -0.69 0.98 -0.68 1.67 3.38 0.07 -2.33 115.31 117.72 2jyc h LEU 59 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jyc h LEU 59 Cb 0.68 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jyc h LEU 59 CO 0.00 0.86 0.00 0.59 0.09 0.00 0.00 178.44 179.98 2jyc n ASN 60 N -4.30 0.64 0.06 -0.43 3.02 0.14 -0.54 115.26 113.85 2jyc n ASN 60 Ca 0.07 0.66 0.12 0.00 -0.03 0.00 0.00 54.58 55.40 2jyc n ASN 60 Cb 0.16 -0.79 0.48 0.00 -0.61 0.00 0.00 39.78 39.02 2jyc n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jyc n GLN 61 N -2.21 0.13 -4.36 3.52 6.02 -0.88 -4.92 117.38 114.69 2jyc n GLN 61 Ca 0.02 0.18 -0.38 0.00 -0.01 0.00 0.00 57.00 56.81 2jyc n GLN 61 Cb 0.23 -1.67 -0.05 0.00 1.02 0.00 0.00 30.24 29.76 2jyc n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jyc n GLN 62 N -1.91 -1.96 -2.11 -1.09 10.64 0.30 -4.91 117.38 116.35 2jyc n GLN 62 Ca 0.05 0.25 -0.37 0.00 -1.83 0.00 0.00 57.00 55.11 2jyc n GLN 62 Cb 0.34 -4.80 0.01 0.00 -0.86 0.00 0.00 30.24 24.93 2jyc n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2jyc s LYS 63 N -7.08 3.39 0.40 2.61 0.00 -1.26 -5.05 119.74 112.74 2jyc s LYS 63 Ca 0.70 1.85 0.04 0.00 0.00 0.00 0.00 55.97 58.56 2jyc s LYS 63 Cb -0.39 -2.20 -0.05 0.00 0.00 0.00 0.00 37.83 35.18 2jyc s LYS 63 CO 0.98 -0.88 0.05 0.15 0.00 0.00 0.00 175.35 175.64 2jyc s LYS 64 N -2.98 1.89 -0.07 1.78 -0.14 -1.26 -4.76 119.74 114.20 2jyc s LYS 64 Ca 0.70 -2.11 -0.31 0.00 -1.36 0.00 0.00 55.97 52.89 2jyc s LYS 64 Cb -0.31 -1.14 -0.09 0.00 -1.68 0.00 0.00 37.83 34.61 2jyc s LYS 64 CO 0.36 -0.24 2.03 -1.13 -0.76 0.00 0.00 175.35 175.60 2jyc n SER 65 N -0.99 3.69 0.00 2.83 3.41 -1.26 -0.88 113.62 120.42 2jyc n SER 65 Ca -0.07 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2jyc n SER 65 Cb 0.66 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 4.92 1.01 3.61 5.00 0.00 -0.74 -5.01 105.19 113.97 2jyc n GLY 66 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.25 2.12 -0.05 1.61 0.41 -0.06 -3.62 118.70 118.85 2jyc s GLU 67 Ca 0.00 -1.59 0.06 0.00 -0.41 0.00 0.00 54.97 53.03 2jyc s GLU 67 Cb 0.00 -2.02 -0.01 0.00 -1.78 0.00 0.00 34.13 30.32 2jyc s GLU 67 CO 0.00 0.28 -0.23 0.54 -0.49 0.00 0.00 175.26 175.35 2jyc s VAL 68 N -2.42 1.91 -0.07 2.63 0.11 -1.26 -1.28 120.40 120.02 2jyc s VAL 68 Ca 0.32 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.34 2jyc s VAL 68 Cb -0.04 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.16 2jyc s VAL 68 CO 0.19 0.53 0.14 0.00 -3.33 0.00 0.00 175.10 172.63 2jyc s ALA 69 N -0.15 3.82 -0.02 1.54 0.00 0.40 -4.90 121.76 122.45 2jyc s ALA 69 Ca -0.03 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2jyc s ALA 69 Cb -0.13 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 2jyc s ALA 69 CO 0.03 0.67 -0.18 0.08 0.00 0.00 0.00 175.76 176.36 2jyc s VAL 70 N -1.13 1.43 0.01 0.00 1.01 -1.26 0.06 120.40 120.53 2jyc s VAL 70 Ca 0.20 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2jyc s VAL 70 Cb -0.12 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2jyc s VAL 70 CO 0.10 0.41 -0.16 -0.76 0.00 0.00 0.00 175.10 174.69 2jyc s LEU 71 N -0.30 2.10 -0.11 3.92 1.43 -0.76 -4.95 118.68 120.01 2jyc s LEU 71 Ca 0.04 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2jyc s LEU 71 Cb -0.08 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 2jyc s LEU 71 CO 0.00 0.13 -0.06 -0.75 0.23 0.00 0.00 176.35 175.90 2jyc s LYS 72 N -0.76 3.20 -0.12 1.70 2.20 -1.26 0.55 119.74 125.25 2jyc s LYS 72 Ca 0.05 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.09 2jyc s LYS 72 Cb -0.07 -2.73 0.04 0.00 -1.51 0.00 0.00 37.83 33.56 2jyc s LYS 72 CO 0.00 0.45 0.03 0.50 -0.36 0.00 0.00 175.35 175.97 2jyc s ARG 73 N -0.22 0.47 0.85 4.03 3.00 0.30 -4.99 118.95 122.40 2jyc s ARG 73 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 55.73 54.72 2jyc s ARG 73 Cb -0.13 -1.37 0.00 0.00 0.00 0.00 0.00 34.95 33.45 2jyc s ARG 73 CO 0.03 -0.46 0.00 -0.25 0.00 0.00 0.00 175.30 174.62 2jyc n ASP 74 N 5.15 0.00 -0.22 -2.12 8.00 -1.26 -1.00 116.55 125.10 2jyc n ASP 74 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2jyc n ASP 74 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jyc n GLY 75 N 0.00 -0.55 3.49 0.44 0.00 -1.26 -5.08 105.19 102.22 2jyc n GLY 75 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.99 -0.17 1.61 1.70 -0.17 -4.75 118.95 119.16 2jyc s ARG 76 Ca 0.00 -1.05 -0.03 0.00 -0.47 0.00 0.00 55.73 54.18 2jyc s ARG 76 Cb 0.00 -2.19 -0.02 0.00 -0.57 0.00 0.00 34.95 32.17 2jyc s ARG 76 CO 0.00 0.52 -0.05 0.71 -1.08 0.00 0.00 175.30 175.39 2jyc s TYR 77 N -1.04 2.97 -0.22 5.89 1.51 -1.26 -0.54 117.35 124.66 2jyc s TYR 77 Ca 0.17 -0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 55.53 2jyc s TYR 77 Cb -0.11 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2jyc s TYR 77 CO 0.08 -0.20 0.48 0.42 -1.11 0.00 0.00 175.55 175.22 2jyc s ILE 78 N 0.66 5.13 -0.29 2.71 -1.09 0.19 -2.74 121.20 125.77 2jyc s ILE 78 Ca -0.03 0.85 -0.10 0.00 -2.23 0.00 0.00 60.65 59.14 2jyc s ILE 78 Cb -0.15 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 2jyc s ILE 78 CO 0.02 0.18 0.16 -0.31 -1.23 0.00 0.00 174.94 173.75 2jyc s TYR 79 N 1.73 3.18 -0.58 3.97 2.02 0.13 -1.82 117.35 125.97 2jyc s TYR 79 Ca 0.21 -0.23 -0.10 0.00 -0.37 0.00 0.00 57.07 56.58 2jyc s TYR 79 Cb -0.15 -2.35 0.15 0.00 -0.40 0.00 0.00 41.96 39.21 2jyc s TYR 79 CO 0.09 -0.31 0.47 0.71 -1.57 0.00 0.00 175.55 174.94 2jyc s TYR 80 N 1.68 3.47 -0.15 2.71 1.51 0.11 -0.19 117.35 126.50 2jyc s TYR 80 Ca 0.06 -1.95 -0.29 0.00 -1.01 0.00 0.00 57.07 53.87 2jyc s TYR 80 Cb -0.16 -3.56 -0.02 0.00 -0.11 0.00 0.00 41.96 38.11 2jyc s TYR 80 CO 0.08 -0.97 1.36 -0.51 -1.11 0.00 0.00 175.55 174.40 2jyc s LEU 81 N 0.92 4.19 -0.44 -1.29 1.43 0.15 -0.46 118.68 123.18 2jyc s LEU 81 Ca 0.10 1.79 -0.24 0.00 -1.03 0.00 0.00 54.13 54.75 2jyc s LEU 81 Cb -0.23 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.48 2jyc s LEU 81 CO -0.02 -0.82 0.82 -0.63 0.23 0.00 0.00 176.35 175.92 2jyc s ILE 82 N 3.70 4.62 -0.19 -0.59 -1.09 -0.40 0.10 121.20 127.34 2jyc s ILE 82 Ca 0.59 0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 59.36 2jyc s ILE 82 Cb -0.24 -4.33 -0.19 0.00 -1.58 0.00 0.00 42.46 36.12 2jyc s ILE 82 CO 0.19 -0.70 0.26 0.71 -1.23 0.00 0.00 174.94 174.16 2jyc h THR 83 N 5.97 0.96 -3.17 2.92 1.35 -1.69 -1.97 112.91 117.27 2jyc h THR 83 Ca -0.25 -2.10 -0.15 0.00 -0.55 0.00 0.00 66.41 63.36 2jyc h THR 83 Cb 1.08 2.19 -0.04 0.00 -1.73 0.00 0.00 68.15 69.66 2jyc h THR 83 CO 0.97 0.32 -0.05 0.29 -0.25 0.00 0.00 175.52 176.80 2jyc n LYS 84 N -4.48 0.48 0.04 4.72 4.76 -1.26 -4.70 118.16 117.72 2jyc n LYS 84 Ca -0.27 -1.70 -0.11 0.00 -2.87 0.00 0.00 58.31 53.36 2jyc n LYS 84 Cb 0.61 1.69 -0.08 0.00 -1.84 0.00 0.00 35.03 35.42 2jyc n LYS 84 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2jyc h LYS 85 N 0.00 -0.18 -6.21 1.97 3.64 -1.92 0.30 116.57 114.16 2jyc h LYS 85 Ca -0.18 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.64 2jyc h LYS 85 Cb 0.75 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2jyc h LYS 85 CO 0.24 0.29 -0.28 1.03 -2.27 0.00 0.00 179.45 178.45 2jyc s ARG 86 N -3.39 3.65 0.44 1.90 1.81 -1.26 -2.63 118.95 119.47 2jyc s ARG 86 Ca -0.13 -0.03 0.29 0.00 -1.72 0.00 0.00 55.73 54.14 2jyc s ARG 86 Cb 0.00 -2.81 1.06 0.00 -0.45 0.00 0.00 34.95 32.75 2jyc s ARG 86 CO 0.50 0.44 1.84 0.00 -0.68 0.00 0.00 175.30 177.40 2jyc h ALA 87 N 2.77 1.00 -0.05 2.13 0.00 -1.89 -1.46 119.26 121.75 2jyc h ALA 87 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jyc h ALA 87 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jyc h ALA 87 CO 0.72 0.00 0.00 0.45 0.00 0.00 0.00 179.25 180.42 2jyc n SER 88 N -2.84 1.37 -4.90 0.00 2.88 -1.26 -4.86 113.62 104.02 2jyc n SER 88 Ca 0.02 -1.50 -0.28 0.00 -1.33 0.00 0.00 58.87 55.78 2jyc n SER 88 Cb 0.34 -0.02 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 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 -1.95 3.52 0.09 0.66 3.76 -0.55 -5.09 115.29 115.72 2jyc s HIS 89 Ca 0.37 0.85 0.07 0.00 -0.15 0.00 0.00 55.06 56.20 2jyc s HIS 89 Cb 0.20 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 2jyc s HIS 89 CO 0.32 -0.14 -0.10 0.15 -0.85 0.00 0.00 174.74 174.12 2jyc s LYS 90 N -4.23 2.15 0.67 1.40 3.01 -1.26 -4.89 119.74 116.59 2jyc s LYS 90 Ca 0.48 -1.00 -0.09 0.00 -1.01 0.00 0.00 55.97 54.34 2jyc s LYS 90 Cb -0.10 -2.31 0.02 0.00 -1.01 0.00 0.00 37.83 34.43 2jyc s LYS 90 CO 0.37 0.52 1.03 -1.25 0.51 0.00 0.00 175.35 176.53 2jyc s PRO 91 N -2.11 2.77 0.35 -1.68 0.04 -1.26 -4.67 135.00 128.44 2jyc s PRO 91 Ca 0.21 0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.56 2jyc s PRO 91 Cb -0.11 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2jyc s PRO 91 CO 0.13 -0.98 0.11 0.95 0.04 0.00 0.00 177.00 177.25 2jyc s THR 92 N -3.24 2.81 0.03 1.26 -4.23 -1.26 -2.23 115.64 108.78 2jyc s THR 92 Ca 0.57 -1.77 -0.24 0.00 -1.18 0.00 0.00 61.69 59.07 2jyc s THR 92 Cb -0.11 -2.93 -0.17 0.00 1.34 0.00 0.00 72.50 70.63 2jyc s THR 92 CO 0.49 -0.16 1.47 1.88 -0.54 0.00 0.00 174.62 177.76 2jyc h TYR 93 N 1.60 0.05 -0.48 3.99 0.05 -1.99 -1.85 116.97 118.34 2jyc h TYR 93 Ca -0.43 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.35 2jyc h TYR 93 Cb 1.25 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.95 2jyc h TYR 93 CO 0.65 0.32 0.30 0.93 -1.05 0.00 0.00 178.16 179.30 2jyc h GLU 94 N -0.23 0.58 -0.44 4.88 5.08 -1.99 0.23 114.58 122.69 2jyc h GLU 94 Ca 0.01 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2jyc h GLU 94 Cb 0.29 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2jyc h GLU 94 CO 0.00 0.38 -0.20 -0.97 -1.00 0.00 0.00 179.01 177.23 2jyc h ASN 95 N 0.60 0.94 -0.41 1.42 -1.24 -1.96 -2.46 115.58 112.46 2jyc h ASN 95 Ca 0.18 -0.40 -0.04 0.00 0.71 0.00 0.00 56.30 56.75 2jyc h ASN 95 Cb -0.02 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.75 2jyc h ASN 95 CO -0.07 1.13 0.10 0.25 -1.29 0.00 0.00 177.43 177.55 2jyc h LEU 96 N 0.75 0.63 -1.66 0.34 5.85 -0.64 -2.49 115.31 118.08 2jyc h LEU 96 Ca 0.10 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2jyc h LEU 96 Cb 0.77 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2jyc h LEU 96 CO 0.06 0.70 -0.12 0.06 -0.34 0.00 0.00 178.44 178.80 2jyc h GLN 97 N 0.53 0.06 -0.68 1.25 3.07 -0.48 -1.34 115.11 117.52 2jyc h GLN 97 Ca 0.13 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.81 2jyc h GLN 97 Cb 0.32 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.84 2jyc h GLN 97 CO 0.00 0.19 0.23 0.87 0.09 0.00 0.00 178.83 180.21 2jyc h LYS 98 N 0.06 1.04 -0.35 0.06 1.57 -1.02 0.26 116.57 118.19 2jyc h LYS 98 Ca 0.01 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 2jyc h LYS 98 Cb 0.26 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2jyc h LYS 98 CO 0.02 0.89 -0.15 0.66 -0.57 0.00 0.00 179.45 180.30 2jyc h SER 99 N 0.98 0.62 -0.41 0.86 4.64 -0.89 0.12 113.55 119.46 2jyc h SER 99 Ca 0.22 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2jyc h SER 99 Cb 0.27 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2jyc h SER 99 CO -0.01 0.78 0.08 -0.07 -0.87 0.00 0.00 176.83 176.74 2jyc h LEU 100 N 0.57 0.65 -0.25 5.97 -0.00 -0.78 -1.47 115.31 119.99 2jyc h LEU 100 Ca 0.10 -0.25 0.04 0.00 -0.00 0.00 0.00 57.88 57.76 2jyc h LEU 100 Cb 0.58 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 2jyc h LEU 100 CO 0.04 0.73 0.04 -0.33 -0.00 0.00 0.00 178.44 178.92 2jyc h GLU 101 N 0.53 0.12 -1.00 1.13 4.39 -0.17 -1.79 114.58 117.80 2jyc h GLU 101 Ca 0.13 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.93 2jyc h GLU 101 Cb 0.36 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.90 2jyc h GLU 101 CO 0.01 0.08 0.63 0.00 -1.16 0.00 0.00 179.01 178.57 2jyc h ALA 102 N 1.19 1.52 -0.54 3.43 0.00 -0.61 -0.54 119.26 123.71 2jyc h ALA 102 Ca 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2jyc h ALA 102 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jyc h ALA 102 CO -0.17 0.24 0.08 0.52 0.00 0.00 0.00 179.25 179.93 2jyc h MET 103 N 1.01 0.87 -0.53 0.00 2.86 -0.56 -2.90 114.93 115.68 2jyc h MET 103 Ca 0.49 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.96 2jyc h MET 103 Cb 0.46 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 2jyc h MET 103 CO -0.25 0.81 0.29 0.87 1.06 0.00 0.00 176.91 179.70 2jyc h LYS 104 N 0.82 0.56 -0.55 1.72 1.57 -0.30 0.12 116.57 120.52 2jyc h LYS 104 Ca 0.17 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2jyc h LYS 104 Cb 0.37 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 2jyc h LYS 104 CO 0.01 0.37 0.24 1.03 -0.57 0.00 0.00 179.45 180.52 2jyc h SER 105 N 0.58 0.29 -0.27 0.86 0.87 -1.24 -1.61 113.55 113.04 2jyc h SER 105 Ca 0.22 0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.66 2jyc h SER 105 Cb 0.08 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2jyc h SER 105 CO -0.12 0.19 -0.53 -0.74 -0.53 0.00 0.00 176.83 175.10 2jyc h HIS 106 N 0.44 1.04 -0.28 2.24 -0.00 -1.28 -2.86 115.15 114.45 2jyc h HIS 106 Ca 0.26 -0.38 -0.03 0.00 -0.00 0.00 0.00 60.37 60.22 2jyc h HIS 106 Cb 0.25 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 2jyc h HIS 106 CO -0.14 1.19 0.02 0.00 -0.00 0.00 0.00 177.93 179.01 2jyc h LEU 108 N 0.40 0.83 -1.05 0.00 3.38 -1.26 0.42 115.31 118.04 2jyc h LEU 108 Ca 0.09 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 2jyc h LEU 108 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jyc h LEU 108 CO 0.00 1.05 -0.47 0.11 0.09 0.00 0.00 178.44 179.22 2jyc h LYS 109 N 0.61 0.01 0.00 1.13 1.57 -1.13 -3.18 116.57 115.58 2jyc h LYS 109 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2jyc h LYS 109 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2jyc h LYS 109 CO 0.06 0.48 -1.67 0.09 -0.57 0.00 0.00 179.45 177.84 2jyc n ASN 110 N -3.98 0.98 -0.63 0.86 5.03 -0.70 -5.01 115.26 111.81 2jyc n ASN 110 Ca -0.02 -0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2jyc n ASN 110 Cb 0.49 1.69 0.00 0.00 -1.02 0.00 0.00 39.78 40.95 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jyc n GLY 111 N 1.50 0.73 3.73 7.41 0.00 0.12 -5.05 105.19 113.62 2jyc n GLY 111 Ca -0.02 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.81 5.33 0.00 1.61 1.01 0.38 -4.93 120.40 120.98 2jyc s VAL 112 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2jyc s VAL 112 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2jyc s VAL 112 CO 0.00 0.40 0.35 0.35 0.00 0.00 0.00 175.10 176.19 2jyc n THR 113 N 3.57 0.10 -4.16 3.92 -2.24 -1.26 -4.55 114.28 109.65 2jyc n THR 113 Ca -0.13 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 2jyc n THR 113 Cb 0.52 1.36 -0.17 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.10 2.53 0.01 3.42 1.11 -1.26 0.45 116.67 122.84 2jyc s ASP 114 Ca 0.00 -0.44 0.00 0.00 0.18 0.00 0.00 52.55 52.29 2jyc s ASP 114 Cb 0.00 -1.11 -0.01 0.00 1.07 0.00 0.00 42.92 42.87 2jyc s ASP 114 CO 0.00 -0.04 -0.02 -0.76 1.18 0.00 0.00 175.17 175.53 2jyc s LEU 115 N 1.34 2.13 -0.02 1.23 1.43 -0.14 -1.15 118.68 123.50 2jyc s LEU 115 Ca 0.01 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2jyc s LEU 115 Cb -0.13 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.13 2jyc s LEU 115 CO -0.07 -0.16 -0.07 -0.94 0.23 0.00 0.00 176.35 175.33 2jyc s SER 116 N -0.81 1.02 0.05 2.29 1.04 0.13 -1.15 113.70 116.27 2jyc s SER 116 Ca -0.09 -0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.12 2jyc s SER 116 Cb -0.06 -0.28 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 2jyc s SER 116 CO -0.01 0.04 0.13 0.00 0.98 0.00 0.00 173.24 174.39 2jyc s MET 117 N 0.25 0.65 0.53 4.02 0.23 -0.06 -2.70 119.30 122.22 2jyc s MET 117 Ca -0.03 -0.78 -0.06 0.00 -1.03 0.00 0.00 55.69 53.79 2jyc s MET 117 Cb -0.08 0.26 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 2jyc s MET 117 CO 0.00 -0.18 0.84 -1.25 -2.03 0.00 0.00 175.02 172.41 2jyc s PRO 118 N -2.85 3.26 -0.70 3.16 0.04 -1.26 -0.03 135.00 136.63 2jyc s PRO 118 Ca -0.03 0.12 -0.28 0.00 0.04 0.00 0.00 61.00 60.85 2jyc s PRO 118 Cb 0.00 -2.32 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 2jyc s PRO 118 CO -0.06 -0.43 2.53 -2.13 0.04 0.00 0.00 177.00 176.95 2jyc n ARG 119 N -2.42 0.61 -0.50 4.56 0.63 -0.06 -4.73 116.66 114.75 2jyc n ARG 119 Ca 0.02 -0.02 0.08 0.00 -0.92 0.00 0.00 57.85 57.02 2jyc n ARG 119 Cb 0.56 -2.66 0.29 0.00 0.45 0.00 0.00 32.46 31.11 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 7.79 1.84 -1.54 5.15 -5.35 -1.26 -4.82 119.36 121.17 2jyc n ILE 120 Ca 0.49 -1.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.22 2jyc n ILE 120 Cb 0.34 0.08 -0.01 0.00 -1.74 0.00 0.00 39.64 38.31 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 0.55 4.21 2.80 3.28 0.00 -1.26 -4.72 105.19 110.04 2jyc n GLY 121 Ca 0.22 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 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 5.32 6.83 0.44 0.00 0.00 -1.26 -4.71 105.19 111.81 2jyc n GLY 123 Ca -0.05 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 2jyc n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jyc h LEU 124 N 0.00 -1.30 0.00 0.99 7.12 -1.72 -3.44 115.31 116.96 2jyc h LEU 124 Ca 0.00 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.13 2jyc h LEU 124 Cb 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2jyc h LEU 124 CO 0.00 -0.55 0.00 -0.67 -0.13 0.00 0.00 178.44 177.09 2jyc n ASP 125 N -5.13 -2.20 -0.01 1.25 2.03 -1.26 -4.96 116.55 106.27 2jyc n ASP 125 Ca -0.09 0.52 0.15 0.00 0.52 0.00 0.00 54.79 55.89 2jyc n ASP 125 Cb 0.39 2.25 0.75 0.00 -0.72 0.00 0.00 41.12 43.79 2jyc n ASP 125 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jyc n ARG 126 N -3.01 0.45 0.00 -0.67 5.12 -1.26 -4.48 116.66 112.81 2jyc n ARG 126 Ca 0.00 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2jyc n ARG 126 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 2jyc n ARG 126 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jyc n LEU 127 N -1.27 0.20 -0.92 0.55 4.32 -1.26 -5.01 117.00 113.62 2jyc n LEU 127 Ca 0.14 0.45 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 2jyc n LEU 127 Cb 0.24 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 2jyc n LEU 127 CO 0.23 0.00 -0.26 1.67 -1.22 0.00 0.00 177.39 177.82 2jyc n GLN 128 N -0.48 -2.62 -0.32 3.23 7.27 -1.26 -4.12 117.38 119.07 2jyc n GLN 128 Ca 0.00 1.94 0.15 0.00 0.07 0.00 0.00 57.00 59.16 2jyc n GLN 128 Cb 0.00 -2.18 0.38 0.00 2.41 0.00 0.00 30.24 30.85 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 1.05 0.91 -0.85 3.69 2.91 -1.95 -1.03 115.95 120.68 2jyc h TRP 129 Ca 0.00 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.13 2jyc h TRP 129 Cb 0.00 -0.28 -0.06 0.00 -0.51 0.00 0.00 29.16 28.32 2jyc h TRP 129 CO 0.00 0.22 0.55 0.93 -1.03 0.00 0.00 178.44 179.11 2jyc h GLU 130 N 0.67 0.85 0.18 2.65 4.39 -1.95 0.56 114.58 121.93 2jyc h GLU 130 Ca 0.54 -0.05 -0.31 0.00 0.34 0.00 0.00 59.36 59.88 2jyc h GLU 130 Cb 0.97 -0.19 0.03 0.00 -0.10 0.00 0.00 28.75 29.45 2jyc h GLU 130 CO -0.31 0.56 -1.35 -0.91 -1.16 0.00 0.00 179.01 175.84 2jyc h ASN 131 N 0.87 0.73 -0.26 1.42 2.35 -1.36 -3.16 115.58 116.16 2jyc h ASN 131 Ca 0.38 -0.75 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2jyc h ASN 131 Cb 0.34 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2jyc h ASN 131 CO -0.15 1.57 0.13 0.58 -1.65 0.00 0.00 177.43 177.92 2jyc h VAL 132 N 0.16 1.14 -0.91 2.81 2.07 -0.59 -1.43 116.25 119.50 2jyc h VAL 132 Ca -0.20 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2jyc h VAL 132 Cb 2.04 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.68 2jyc h VAL 132 CO 0.25 0.14 0.60 0.77 0.02 0.00 0.00 177.57 179.35 2jyc h SER 133 N 0.30 1.04 -0.30 0.57 4.64 -0.04 0.21 113.55 119.96 2jyc h SER 133 Ca 0.09 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2jyc h SER 133 Cb 0.10 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2jyc h SER 133 CO -0.01 0.75 0.11 0.00 -0.87 0.00 0.00 176.83 176.80 2jyc h ALA 134 N 1.34 0.40 -0.88 5.18 0.00 -1.46 -0.52 119.26 123.31 2jyc h ALA 134 Ca 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jyc h ALA 134 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2jyc h ALA 134 CO -0.08 0.01 0.52 1.98 0.00 0.00 0.00 179.25 181.68 2jyc h MET 135 N 0.34 1.21 -0.90 0.00 -1.53 -0.74 0.13 114.93 113.44 2jyc h MET 135 Ca 0.10 -0.12 -0.02 0.00 -3.44 0.00 0.00 59.70 56.22 2jyc h MET 135 Cb 0.21 -0.25 -0.04 0.00 -0.55 0.00 0.00 31.60 30.97 2jyc h MET 135 CO -0.01 0.86 0.49 0.82 0.14 0.00 0.00 176.91 179.21 2jyc h ILE 136 N 1.23 1.26 -0.17 1.77 2.04 -0.16 0.44 117.51 123.91 2jyc h ILE 136 Ca 0.32 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2jyc h ILE 136 Cb -0.03 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 2jyc h ILE 136 CO -0.06 0.29 0.10 -0.33 0.00 0.00 0.00 178.15 178.16 2jyc h GLU 137 N 1.26 0.23 -0.68 2.37 5.08 -0.22 0.17 114.58 122.78 2jyc h GLU 137 Ca 0.32 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.74 2jyc h GLU 137 Cb 0.03 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2jyc h GLU 137 CO -0.05 0.22 0.34 0.93 -1.00 0.00 0.00 179.01 179.44 2jyc h GLU 138 N 0.18 0.57 -0.03 2.33 5.08 -0.10 0.18 114.58 122.79 2jyc h GLU 138 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2jyc h GLU 138 Cb 0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2jyc h GLU 138 CO -0.01 0.38 -0.05 0.28 -1.00 0.00 0.00 179.01 178.61 2jyc h VAL 139 N 0.59 1.44 0.00 3.13 2.07 -0.74 -3.30 116.25 119.43 2jyc h VAL 139 Ca 0.33 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2jyc h VAL 139 Cb 0.33 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2jyc h VAL 139 CO -0.26 0.37 0.00 -0.26 0.02 0.00 0.00 177.57 177.44 2jyc h PHE 140 N -0.46 0.00 -3.41 1.57 0.04 -0.31 -3.46 116.94 110.91 2jyc h PHE 140 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 2jyc h PHE 140 Cb 0.62 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.90 2jyc h PHE 140 CO 0.12 0.00 0.39 0.39 -0.60 0.00 0.00 178.31 178.61 2jyc n GLU 141 N -2.53 1.72 0.00 1.51 -0.58 0.58 -0.98 120.64 120.36 2jyc n GLU 141 Ca 0.03 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 2jyc n GLU 141 Cb 0.33 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 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 -0.35 0.00 -2.72 0.62 0.00 -1.26 -5.02 120.51 111.78 2jyc n ALA 142 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 2jyc n ALA 142 Cb 0.40 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.00 0.00 0.05 0.00 -2.24 -0.15 -5.04 114.28 104.89 2jyc n THR 143 Ca 0.00 -1.31 0.02 0.00 -2.27 0.00 0.00 64.05 60.50 2jyc n THR 143 Cb 0.00 -0.86 0.05 0.00 -2.10 0.00 0.00 70.33 67.41 2jyc n THR 143 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jyc n ASP 144 N -2.76 1.97 -4.71 3.42 8.00 -1.26 -5.02 116.55 116.19 2jyc n ASP 144 Ca 0.13 -1.65 -0.42 0.00 0.71 0.00 0.00 54.79 53.56 2jyc n ASP 144 Cb 0.45 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jyc s ILE 145 N -0.74 2.98 -0.11 0.53 1.01 -1.26 -4.74 121.20 118.88 2jyc s ILE 145 Ca 0.08 0.63 -0.07 0.00 0.00 0.00 0.00 60.65 61.29 2jyc s ILE 145 Cb 0.05 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2jyc s ILE 145 CO 0.07 0.03 0.15 -0.54 0.00 0.00 0.00 174.94 174.65 2jyc s LYS 146 N 1.59 3.46 -0.10 2.79 -0.14 0.17 -4.96 119.74 122.55 2jyc s LYS 146 Ca 0.69 -0.12 -0.01 0.00 -1.36 0.00 0.00 55.97 55.17 2jyc s LYS 146 Cb -0.40 -3.18 0.03 0.00 -1.68 0.00 0.00 37.83 32.59 2jyc s LYS 146 CO 0.31 0.77 -0.04 0.42 -0.76 0.00 0.00 175.35 176.04 2jyc s ILE 147 N -1.05 0.79 -0.19 2.17 1.01 -0.78 -0.96 121.20 122.18 2jyc s ILE 147 Ca 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 2jyc s ILE 147 Cb -0.12 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2jyc s ILE 147 CO 0.05 0.30 -0.01 -0.89 0.00 0.00 0.00 174.94 174.39 2jyc s THR 148 N 1.80 3.88 -0.24 2.92 2.01 -0.30 -2.37 115.64 123.34 2jyc s THR 148 Ca 0.05 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 2jyc s THR 148 Cb -0.13 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 2jyc s THR 148 CO -0.07 0.44 0.04 -0.69 -0.69 0.00 0.00 174.62 173.65 2jyc s VAL 149 N 0.92 4.10 -0.21 3.82 1.01 0.17 -0.88 120.40 129.32 2jyc s VAL 149 Ca 0.01 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 2jyc s VAL 149 Cb -0.14 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2jyc s VAL 149 CO 0.02 0.37 0.41 -0.31 0.00 0.00 0.00 175.10 175.58 2jyc s TYR 150 N 1.50 3.36 -0.06 5.22 1.51 0.96 -0.36 117.35 129.48 2jyc s TYR 150 Ca 0.06 0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 56.56 2jyc s TYR 150 Cb -0.15 -2.54 -0.05 0.00 -0.11 0.00 0.00 41.96 39.11 2jyc s TYR 150 CO 0.02 -0.04 0.44 -0.08 -1.11 0.00 0.00 175.55 174.78 2jyc s THR 151 N 1.43 5.09 0.00 -0.71 -1.32 0.34 -0.88 115.64 119.60 2jyc s THR 151 Ca 0.19 0.90 0.00 0.00 -1.21 0.00 0.00 61.69 61.56 2jyc s THR 151 Cb -0.15 -3.77 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 2jyc s THR 151 CO 0.08 0.46 0.38 0.18 -2.21 0.00 0.00 174.62 173.51