#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 -1.89 -0.46 4.31 0.00 -1.26 -5.10 121.76 117.36 2jyc s ALA 2 Ca 0.00 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.59 2jyc s ALA 2 Cb 0.00 0.45 0.19 0.00 0.00 0.00 0.00 23.12 23.75 2jyc s ALA 2 CO 0.00 -0.94 0.41 -1.13 0.00 0.00 0.00 175.76 174.10 2jyc n SER 3 N -0.40 0.31 -3.34 0.00 3.41 -1.26 -4.65 113.62 107.69 2jyc n SER 3 Ca -0.07 -2.59 -0.16 0.00 -0.26 0.00 0.00 58.87 55.79 2jyc n SER 3 Cb 0.61 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2jyc n SER 3 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jyc s SER 4 N -0.48 0.90 -0.32 4.04 0.01 -1.26 -5.09 113.70 111.49 2jyc s SER 4 Ca 0.32 -1.60 0.03 0.00 1.31 0.00 0.00 55.95 56.01 2jyc s SER 4 Cb 0.06 0.67 0.10 0.00 0.21 0.00 0.00 66.02 67.05 2jyc s SER 4 CO -0.17 -0.24 0.05 -0.76 0.41 0.00 0.00 173.24 172.53 2jyc s LEU 5 N 1.38 3.99 0.00 2.44 1.02 -1.26 -4.69 118.68 121.55 2jyc s LEU 5 Ca 0.18 -1.96 0.02 0.00 0.02 0.00 0.00 54.13 52.39 2jyc s LEU 5 Cb -0.14 -1.42 0.04 0.00 0.02 0.00 0.00 46.19 44.69 2jyc s LEU 5 CO -0.03 -0.38 0.81 -3.20 0.02 0.00 0.00 176.35 173.58 2jyc n ASN 6 N 4.42 1.68 -4.27 2.29 4.05 -1.26 -4.99 115.26 117.19 2jyc n ASN 6 Ca 0.01 -1.55 -0.33 0.00 0.45 0.00 0.00 54.58 53.16 2jyc n ASN 6 Cb 0.42 -0.02 -0.16 0.00 1.23 0.00 0.00 39.78 41.25 2jyc n ASN 6 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2jyc s GLU 7 N -0.60 3.19 0.08 1.20 2.02 -1.26 -5.11 118.70 118.23 2jyc s GLU 7 Ca 0.03 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.30 2jyc s GLU 7 Cb 0.02 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 2jyc s GLU 7 CO 0.03 0.13 -0.17 0.16 0.02 0.00 0.00 175.26 175.43 2jyc s ASP 8 N 0.52 1.98 0.52 -0.19 -4.77 -1.26 -5.02 116.67 108.45 2jyc s ASP 8 Ca -0.12 -0.62 -0.20 0.00 -3.30 0.00 0.00 52.55 48.32 2jyc s ASP 8 Cb -0.16 -0.09 -0.07 0.00 -1.09 0.00 0.00 42.92 41.51 2jyc s ASP 8 CO 0.04 -0.01 1.09 -2.16 0.70 0.00 0.00 175.17 174.83 2jyc s PRO 9 N -1.70 3.54 -0.30 2.11 0.04 -1.26 -5.04 135.00 132.39 2jyc s PRO 9 Ca 0.01 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 2jyc s PRO 9 Cb -0.10 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 32.58 2jyc s PRO 9 CO 0.03 -0.68 1.22 -2.00 0.04 0.00 0.00 177.00 175.61 2jyc s GLU 10 N -3.27 0.01 0.00 4.56 2.56 -1.26 -5.05 118.70 116.26 2jyc s GLU 10 Ca 0.70 0.02 0.00 0.00 0.00 0.00 0.00 54.97 55.69 2jyc s GLU 10 Cb -0.21 0.01 0.00 0.00 2.00 0.00 0.00 34.13 35.93 2jyc s GLU 10 CO 0.24 -0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.33 2jyc n GLY 11 N 5.26 2.29 3.71 -1.50 0.00 -1.26 -5.04 105.19 108.65 2jyc n GLY 11 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2jyc n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jyc s SER 12 N -1.36 6.66 0.09 1.61 0.01 -1.26 -4.92 113.70 114.53 2jyc s SER 12 Ca 0.00 2.49 -0.27 0.00 1.31 0.00 0.00 55.95 59.48 2jyc s SER 12 Cb 0.00 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.49 2jyc s SER 12 CO 0.00 -0.79 1.69 -0.09 0.41 0.00 0.00 173.24 174.47 2jyc h ARG 13 N 7.14 -0.34 -4.97 12.44 1.12 -1.96 -3.33 114.38 124.48 2jyc h ARG 13 Ca -0.42 0.02 -0.63 0.00 -1.11 0.00 0.00 59.98 57.84 2jyc h ARG 13 Cb 1.20 0.08 -0.16 0.00 -0.01 0.00 0.00 29.97 31.08 2jyc h ARG 13 CO 0.90 -0.23 -0.50 0.42 -3.11 0.00 0.00 179.97 177.46 2jyc s ILE 14 N -6.14 5.32 -0.08 1.20 1.01 -1.26 -2.04 121.20 119.21 2jyc s ILE 14 Ca -0.15 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 2jyc s ILE 14 Cb 0.05 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2jyc s ILE 14 CO 0.65 0.27 0.00 -0.89 0.00 0.00 0.00 174.94 174.97 2jyc s THR 15 N 1.56 4.31 -0.23 2.92 2.01 0.66 -4.97 115.64 121.90 2jyc s THR 15 Ca 0.08 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 2jyc s THR 15 Cb -0.15 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 2jyc s THR 15 CO 0.09 0.60 0.02 -0.31 -0.69 0.00 0.00 174.62 174.33 2jyc s TYR 16 N -0.89 3.03 -0.04 4.92 2.02 -1.26 0.64 117.35 125.77 2jyc s TYR 16 Ca 0.13 -0.62 0.04 0.00 -0.37 0.00 0.00 57.07 56.25 2jyc s TYR 16 Cb -0.11 -2.17 -0.00 0.00 -0.40 0.00 0.00 41.96 39.28 2jyc s TYR 16 CO 0.02 -0.41 -0.14 0.08 -1.57 0.00 0.00 175.55 173.53 2jyc s VAL 17 N 1.48 1.22 -0.27 0.71 1.01 0.46 -4.96 120.40 120.05 2jyc s VAL 17 Ca 0.06 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 2jyc s VAL 17 Cb -0.15 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2jyc s VAL 17 CO 0.01 0.36 0.72 -1.59 0.00 0.00 0.00 175.10 174.60 2jyc s LYS 18 N 0.13 4.08 0.00 2.72 -2.85 -1.26 0.23 119.74 122.79 2jyc s LYS 18 Ca -0.04 0.64 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 2jyc s LYS 18 Cb -0.11 -3.67 0.00 0.00 -2.06 0.00 0.00 37.83 31.99 2jyc s LYS 18 CO 0.02 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 175.36 2jyc n GLY 19 N 4.08 -0.62 3.66 0.59 0.00 -0.80 -4.89 105.19 107.21 2jyc n GLY 19 Ca 0.02 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 4.83 0.00 1.61 2.15 -1.26 -4.38 116.67 115.62 2jyc s ASP 20 Ca 0.00 -0.27 0.19 0.00 0.43 0.00 0.00 52.55 52.90 2jyc s ASP 20 Cb 0.00 -1.08 0.02 0.00 -0.30 0.00 0.00 42.92 41.56 2jyc s ASP 20 CO 0.00 0.16 0.98 0.18 -0.17 0.00 0.00 175.17 176.31 2jyc n LEU 21 N 0.44 1.93 0.00 -1.34 4.77 -1.26 -3.53 117.00 118.01 2jyc n LEU 21 Ca -0.11 -0.80 -0.13 0.00 -0.03 0.00 0.00 56.01 54.94 2jyc n LEU 21 Cb 0.53 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2jyc n LEU 21 CO 0.38 0.36 -0.54 -0.26 -1.33 0.00 0.00 177.39 175.99 2jyc h PHE 22 N 2.34 0.20 -0.62 -1.77 -1.00 -1.96 -3.32 116.94 110.81 2jyc h PHE 22 Ca 0.00 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.64 2jyc h PHE 22 Cb 0.67 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.22 2jyc h PHE 22 CO 0.00 1.27 0.00 0.00 -1.61 0.00 0.00 178.31 177.97 2jyc n ALA 23 N -2.68 2.91 -1.58 2.45 0.00 -1.26 -4.99 120.51 115.37 2jyc n ALA 23 Ca -0.20 -1.40 -0.31 0.00 0.00 0.00 0.00 53.44 51.53 2jyc n ALA 23 Cb 1.04 -1.01 0.07 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.24 -0.59 0.04 0.00 -0.02 -1.26 -4.95 135.00 124.99 2jyc n PRO 25 Ca 0.07 -0.14 -0.10 0.00 -2.02 0.00 0.00 63.50 61.31 2jyc n PRO 25 Cb 0.55 -1.74 0.03 0.00 -0.02 0.00 0.00 33.50 32.32 2jyc n PRO 25 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2jyc h LYS 26 N -1.64 0.43 0.00 -0.52 1.79 -2.00 -3.21 116.57 111.42 2jyc h LYS 26 Ca -0.46 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 57.67 2jyc h LYS 26 Cb 1.30 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2jyc h LYS 26 CO 0.34 0.98 -0.17 1.79 -1.08 0.00 0.00 179.45 181.31 2jyc h THR 27 N 0.30 0.00 -3.67 -0.16 1.35 -1.93 -3.42 112.91 105.38 2jyc h THR 27 Ca -0.03 -0.65 -0.62 0.00 -0.55 0.00 0.00 66.41 64.56 2jyc h THR 27 Cb 1.29 1.54 -0.14 0.00 -1.73 0.00 0.00 68.15 69.12 2jyc h THR 27 CO 0.12 0.00 -0.16 -1.81 -0.25 0.00 0.00 175.52 173.43 2jyc s ASP 28 N -4.96 6.32 0.64 5.36 1.11 -1.21 -4.22 116.67 119.70 2jyc s ASP 28 Ca 0.08 0.38 -0.06 0.00 0.18 0.00 0.00 52.55 53.13 2jyc s ASP 28 Cb 0.10 -2.24 0.03 0.00 1.07 0.00 0.00 42.92 41.89 2jyc s ASP 28 CO 0.65 -0.22 0.95 -0.44 1.18 0.00 0.00 175.17 177.29 2jyc s SER 29 N 1.58 5.25 0.00 0.27 0.01 -0.24 -4.67 113.70 115.90 2jyc s SER 29 Ca 0.17 0.60 0.07 0.00 1.31 0.00 0.00 55.95 58.11 2jyc s SER 29 Cb -0.16 -1.44 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 2jyc s SER 29 CO 0.10 -1.30 -0.23 -0.22 0.41 0.00 0.00 173.24 172.00 2jyc s LEU 30 N -5.10 2.08 0.10 2.44 0.20 -0.25 0.64 118.68 118.79 2jyc s LEU 30 Ca 0.57 -0.45 0.05 0.00 0.69 0.00 0.00 54.13 54.98 2jyc s LEU 30 Cb -0.11 -1.16 -0.04 0.00 -0.43 0.00 0.00 46.19 44.46 2jyc s LEU 30 CO 0.45 0.26 -0.12 0.00 -0.29 0.00 0.00 176.35 176.65 2jyc s ALA 31 N -0.61 1.26 0.24 5.97 0.00 -0.41 0.75 121.76 128.96 2jyc s ALA 31 Ca 0.09 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 2jyc s ALA 31 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2jyc s ALA 31 CO -0.00 0.03 0.37 -1.01 0.00 0.00 0.00 175.76 175.15 2jyc s HIS 32 N -2.22 0.69 -0.12 0.00 0.09 0.33 -4.08 115.29 109.99 2jyc s HIS 32 Ca 0.06 -0.99 -0.01 0.00 -0.00 0.00 0.00 55.06 54.12 2jyc s HIS 32 Cb -0.04 -0.07 -0.02 0.00 -0.00 0.00 0.00 32.58 32.44 2jyc s HIS 32 CO 0.01 -0.90 -0.10 0.00 -0.00 0.00 0.00 174.74 173.76 2jyc s ILE 34 N 0.03 0.00 0.31 0.00 -4.36 0.93 -4.85 121.20 113.27 2jyc s ILE 34 Ca -0.03 -1.74 -0.00 0.00 -0.26 0.00 0.00 60.65 58.62 2jyc s ILE 34 Cb -0.14 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 2jyc s ILE 34 CO 0.04 0.00 0.52 -0.94 0.24 0.00 0.00 174.94 174.80 2jyc s SER 35 N -3.12 6.33 0.34 4.36 1.04 -1.26 -1.84 113.70 119.55 2jyc s SER 35 Ca 0.32 0.47 0.08 0.00 0.48 0.00 0.00 55.95 57.31 2jyc s SER 35 Cb 0.03 -2.04 0.60 0.00 0.10 0.00 0.00 66.02 64.72 2jyc s SER 35 CO 0.12 -0.24 1.80 1.05 0.98 0.00 0.00 173.24 176.95 2jyc h GLU 36 N 1.10 0.23 -0.00 4.02 4.11 -1.68 -2.29 114.58 120.07 2jyc h GLU 36 Ca -0.49 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 58.86 2jyc h GLU 36 Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2jyc h GLU 36 CO 0.63 0.50 -0.08 -3.47 0.07 0.00 0.00 179.01 176.66 2jyc n ASP 37 N -4.13 0.45 -1.97 3.06 2.03 -1.02 -4.84 116.55 110.11 2jyc n ASP 37 Ca -0.01 -0.64 -0.21 0.00 0.52 0.00 0.00 54.79 54.45 2jyc n ASP 37 Cb 0.39 -0.08 -0.05 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.00 0.81 0.00 0.00 2.47 -1.90 -3.43 114.38 112.32 2jyc h ARG 39 Ca -0.46 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 2jyc h ARG 39 Cb 1.36 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2jyc h ARG 39 CO 0.61 0.53 0.00 -0.12 0.56 0.00 0.00 179.97 181.55 2jyc n MET 40 N -4.72 0.00 0.00 0.04 0.00 -1.26 -4.78 117.12 106.39 2jyc n MET 40 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.87 2jyc n MET 40 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.57 2jyc n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jyc n GLY 41 N 0.00 1.43 3.48 -5.12 0.00 -1.26 -4.82 105.19 98.89 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 -0.41 0.29 0.00 4.61 0.00 -1.26 -4.99 121.76 120.00 2jyc s ALA 42 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2jyc s ALA 42 Cb 0.00 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.28 2jyc s ALA 42 CO 0.00 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2jyc n GLY 43 N -0.39 0.09 0.11 0.00 0.00 -1.26 -4.21 105.19 99.53 2jyc n GLY 43 Ca -0.00 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 -0.61 2.10 -1.99 -3.13 117.51 113.88 2jyc h ILE 44 Ca 0.00 -0.51 -0.03 0.00 1.08 0.00 0.00 64.86 65.40 2jyc h ILE 44 Cb 0.00 1.49 -0.00 0.00 -1.09 0.00 0.00 36.82 37.22 2jyc h ILE 44 CO 0.00 0.00 -0.14 0.00 -1.08 0.00 0.00 178.15 176.93 2jyc h ALA 45 N 2.49 1.50 -0.49 0.18 0.00 -1.89 -2.23 119.26 118.83 2jyc h ALA 45 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2jyc h ALA 45 Cb 0.75 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2jyc h ALA 45 CO 0.00 0.18 0.06 -0.24 0.00 0.00 0.00 179.25 179.25 2jyc h VAL 46 N 0.00 1.23 -0.71 0.00 3.04 -1.71 0.80 116.25 118.90 2jyc h VAL 46 Ca -0.00 -0.88 -0.04 0.00 -1.01 0.00 0.00 66.70 64.77 2jyc h VAL 46 Cb 0.30 0.78 -0.03 0.00 -2.01 0.00 0.00 31.29 30.33 2jyc h VAL 46 CO 0.02 0.32 0.30 -0.07 -1.01 0.00 0.00 177.57 177.12 2jyc h LEU 47 N 0.74 0.94 -0.27 3.16 3.38 -1.60 -1.46 115.31 120.20 2jyc h LEU 47 Ca 0.16 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 2jyc h LEU 47 Cb 0.36 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jyc h LEU 47 CO 0.01 0.83 -0.83 -0.26 0.09 0.00 0.00 178.44 178.28 2jyc h PHE 48 N 1.02 0.63 -0.04 1.13 -1.00 -1.20 -0.89 116.94 116.59 2jyc h PHE 48 Ca 0.24 -0.31 -0.10 0.00 2.81 0.00 0.00 57.97 60.61 2jyc h PHE 48 Cb 0.17 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 2jyc h PHE 48 CO 0.01 1.10 -0.45 1.57 -1.61 0.00 0.00 178.31 178.94 2jyc h LYS 49 N 0.28 0.08 -0.08 1.51 5.09 -0.67 0.99 116.57 123.78 2jyc h LYS 49 Ca -0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 60.62 2jyc h LYS 49 Cb 1.44 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.77 2jyc h LYS 49 CO 0.15 0.52 -0.02 0.87 -2.09 0.00 0.00 179.45 178.87 2jyc h LYS 50 N 0.07 0.16 -0.28 0.07 1.57 -1.12 0.83 116.57 117.87 2jyc h LYS 50 Ca 0.00 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2jyc h LYS 50 Cb 0.83 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2jyc h LYS 50 CO 0.06 0.49 -0.03 0.87 -0.57 0.00 0.00 179.45 180.27 2jyc h LYS 51 N -0.18 0.51 0.00 3.15 1.79 -0.85 -3.35 116.57 117.65 2jyc h LYS 51 Ca 0.02 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2jyc h LYS 51 Cb 0.43 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2jyc h LYS 51 CO 0.01 0.70 -1.67 1.19 -1.08 0.00 0.00 179.45 178.60 2jyc n PHE 52 N -4.55 0.00 -3.43 -1.35 3.72 0.32 -5.00 117.46 107.17 2jyc n PHE 52 Ca -0.03 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.19 2jyc n PHE 52 Cb 0.28 -0.34 0.09 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.37 1.68 1.37 0.00 0.28 -4.91 105.19 104.85 2jyc n GLY 53 Ca -0.03 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.29 3.28 0.13 -0.02 0.00 -1.26 -4.44 105.19 101.60 2jyc n GLY 54 Ca -0.23 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 3.44 1.22 -0.30 1.61 2.07 -1.91 0.83 116.25 123.21 2jyc h VAL 55 Ca 0.02 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 2jyc h VAL 55 Cb 1.89 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2jyc h VAL 55 CO 0.45 0.23 -0.22 1.56 0.02 0.00 0.00 177.57 179.61 2jyc h GLN 56 N 0.15 0.57 -0.06 1.57 4.20 -1.99 -0.19 115.11 119.37 2jyc h GLN 56 Ca 0.07 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2jyc h GLN 56 Cb 0.31 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2jyc h GLN 56 CO 0.00 0.75 0.03 0.93 -0.67 0.00 0.00 178.83 179.88 2jyc h GLU 57 N 0.51 0.08 -0.51 1.46 5.08 -1.73 0.38 114.58 119.84 2jyc h GLU 57 Ca 0.08 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2jyc h GLU 57 Cb 0.66 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2jyc h GLU 57 CO 0.05 0.18 0.30 -0.07 -1.00 0.00 0.00 179.01 178.47 2jyc h LEU 58 N -0.03 0.49 -0.39 1.33 3.38 -0.63 -0.19 115.31 119.26 2jyc h LEU 58 Ca 0.02 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2jyc h LEU 58 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jyc h LEU 58 CO -0.00 0.34 -0.22 -0.07 0.09 0.00 0.00 178.44 178.58 2jyc h LEU 59 N 0.60 0.87 -1.38 1.67 3.38 -0.79 -2.33 115.31 117.34 2jyc h LEU 59 Ca 0.21 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2jyc h LEU 59 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2jyc h LEU 59 CO -0.10 1.10 -0.31 0.78 0.09 0.00 0.00 178.44 180.01 2jyc h ASN 60 N 0.65 0.00 1.46 -0.43 2.35 0.02 -2.16 115.58 117.46 2jyc h ASN 60 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2jyc h ASN 60 Cb 0.79 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 2jyc h ASN 60 CO 0.06 0.31 -0.06 1.56 -1.65 0.00 0.00 177.43 177.65 2jyc h GLN 61 N 0.00 0.00 -4.84 0.81 4.20 -0.87 -3.49 115.11 110.92 2jyc h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jyc h GLN 61 Cb 0.58 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 2jyc h GLN 61 CO 0.04 0.06 -1.21 1.04 -0.67 0.00 0.00 178.83 178.08 2jyc n GLN 62 N -3.14 -5.04 -4.13 1.46 6.02 -0.82 -5.08 117.38 106.66 2jyc n GLN 62 Ca 0.02 3.69 -0.17 0.00 -0.01 0.00 0.00 57.00 60.53 2jyc n GLN 62 Cb 0.44 -4.88 -0.15 0.00 1.02 0.00 0.00 30.24 26.67 2jyc n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2jyc s LYS 63 N -0.63 0.55 0.48 -1.09 0.00 -1.26 -5.03 119.74 112.77 2jyc s LYS 63 Ca -0.10 -0.12 0.08 0.00 0.00 0.00 0.00 55.97 55.83 2jyc s LYS 63 Cb 0.01 -0.58 0.03 0.00 0.00 0.00 0.00 37.83 37.29 2jyc s LYS 63 CO 0.28 0.01 0.56 0.15 0.00 0.00 0.00 175.35 176.35 2jyc s LYS 64 N 0.42 2.52 -0.13 1.78 -0.14 -1.26 -4.67 119.74 118.26 2jyc s LYS 64 Ca -0.05 -1.55 -0.35 0.00 -1.36 0.00 0.00 55.97 52.66 2jyc s LYS 64 Cb -0.08 -2.53 -0.13 0.00 -1.68 0.00 0.00 37.83 33.41 2jyc s LYS 64 CO -0.00 -0.47 1.85 0.43 -0.76 0.00 0.00 175.35 176.40 2jyc n SER 65 N -1.87 3.22 0.00 2.83 7.64 -1.26 -1.05 113.62 123.13 2jyc n SER 65 Ca 0.08 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2jyc n SER 65 Cb 0.61 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 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 4.35 0.65 3.57 0.23 0.00 -0.95 -4.95 105.19 108.09 2jyc n GLY 66 Ca 0.23 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 -0.74 2.01 -0.07 1.61 2.02 -0.22 -3.14 118.70 120.17 2jyc s GLU 67 Ca 0.00 -1.62 0.05 0.00 0.02 0.00 0.00 54.97 53.41 2jyc s GLU 67 Cb 0.00 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.27 2jyc s GLU 67 CO 0.00 0.30 -0.22 0.54 0.02 0.00 0.00 175.26 175.90 2jyc s VAL 68 N -2.44 1.90 -0.07 2.63 0.11 -1.26 -2.19 120.40 119.09 2jyc s VAL 68 Ca 0.32 -0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 58.31 2jyc s VAL 68 Cb -0.04 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.13 2jyc s VAL 68 CO 0.18 0.53 0.25 0.00 -3.33 0.00 0.00 175.10 172.73 2jyc s ALA 69 N 0.15 3.81 -0.06 1.54 0.00 -0.41 -4.88 121.76 121.90 2jyc s ALA 69 Ca -0.11 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.43 2jyc s ALA 69 Cb -0.15 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2jyc s ALA 69 CO 0.06 0.57 -0.22 0.08 0.00 0.00 0.00 175.76 176.24 2jyc s VAL 70 N -1.06 1.87 -0.06 0.00 1.01 -1.26 -0.45 120.40 120.44 2jyc s VAL 70 Ca 0.19 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.26 2jyc s VAL 70 Cb -0.14 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2jyc s VAL 70 CO 0.08 0.52 -0.17 -0.76 0.00 0.00 0.00 175.10 174.77 2jyc s LEU 71 N 0.03 1.87 -0.12 3.92 1.43 -0.08 -4.95 118.68 120.78 2jyc s LEU 71 Ca -0.08 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2jyc s LEU 71 Cb -0.14 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 2jyc s LEU 71 CO 0.04 0.12 -0.06 -1.59 0.23 0.00 0.00 176.35 175.09 2jyc s LYS 72 N 0.31 3.29 -0.03 1.70 -2.85 -1.26 0.11 119.74 121.00 2jyc s LYS 72 Ca -0.11 -0.55 0.00 0.00 -1.00 0.00 0.00 55.97 54.32 2jyc s LYS 72 Cb -0.14 -2.76 0.03 0.00 -2.06 0.00 0.00 37.83 32.90 2jyc s LYS 72 CO 0.04 0.40 -0.00 0.50 0.10 0.00 0.00 175.35 176.39 2jyc s ARG 73 N -0.09 0.33 0.00 1.78 3.00 -0.32 -4.98 118.95 118.67 2jyc s ARG 73 Ca 0.01 0.07 0.00 0.00 -1.00 0.00 0.00 55.73 54.81 2jyc s ARG 73 Cb -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 34.95 34.31 2jyc s ARG 73 CO 0.03 -0.14 0.00 -3.47 0.00 0.00 0.00 175.30 171.72 2jyc n ASP 74 N 4.16 0.00 0.00 -2.12 2.03 -1.26 -1.53 116.55 117.83 2jyc n ASP 74 Ca -0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.05 2jyc n ASP 74 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jyc n GLY 75 N 0.00 1.00 3.36 0.27 0.00 -1.26 -5.13 105.19 103.43 2jyc n GLY 75 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.39 -0.13 1.61 1.70 -0.58 -4.99 118.95 117.94 2jyc s ARG 76 Ca 0.00 -1.69 -0.07 0.00 -0.47 0.00 0.00 55.73 53.50 2jyc s ARG 76 Cb 0.00 -0.84 -0.04 0.00 -0.57 0.00 0.00 34.95 33.50 2jyc s ARG 76 CO 0.00 -0.02 0.10 0.71 -1.08 0.00 0.00 175.30 175.01 2jyc s TYR 77 N -3.24 3.45 -0.24 5.89 1.51 -1.26 -1.17 117.35 122.28 2jyc s TYR 77 Ca 0.27 0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 56.63 2jyc s TYR 77 Cb 0.04 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 2jyc s TYR 77 CO 0.09 0.55 0.11 0.42 -1.11 0.00 0.00 175.55 175.61 2jyc s ILE 78 N -0.62 4.81 -0.05 2.71 -1.09 0.30 -1.09 121.20 126.17 2jyc s ILE 78 Ca 0.12 -0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.51 2jyc s ILE 78 Cb -0.12 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 2jyc s ILE 78 CO 0.02 0.35 0.08 -0.31 -1.23 0.00 0.00 174.94 173.86 2jyc s TYR 79 N 1.24 3.34 -0.31 3.97 1.51 0.23 -0.90 117.35 126.43 2jyc s TYR 79 Ca 0.06 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 2jyc s TYR 79 Cb -0.14 -1.80 0.09 0.00 -0.11 0.00 0.00 41.96 40.00 2jyc s TYR 79 CO 0.05 0.58 0.06 0.71 -1.11 0.00 0.00 175.55 175.84 2jyc s TYR 80 N -1.10 2.40 -0.20 2.71 1.51 0.40 -0.51 117.35 122.56 2jyc s TYR 80 Ca 0.19 -2.10 -0.29 0.00 -1.01 0.00 0.00 57.07 53.86 2jyc s TYR 80 Cb -0.12 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 2jyc s TYR 80 CO 0.10 -0.88 1.01 -0.51 -1.11 0.00 0.00 175.55 174.16 2jyc s LEU 81 N 1.38 4.13 -0.58 -1.29 1.43 0.77 -1.29 118.68 123.23 2jyc s LEU 81 Ca 0.08 1.38 -0.25 0.00 -1.03 0.00 0.00 54.13 54.32 2jyc s LEU 81 Cb -0.18 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.57 2jyc s LEU 81 CO -0.17 -0.60 1.00 -0.63 0.23 0.00 0.00 176.35 176.18 2jyc s ILE 82 N 2.88 4.28 0.07 -0.59 -1.09 -0.93 -0.05 121.20 125.77 2jyc s ILE 82 Ca 0.44 0.32 -0.15 0.00 -2.23 0.00 0.00 60.65 59.04 2jyc s ILE 82 Cb -0.16 -4.61 -0.24 0.00 -1.58 0.00 0.00 42.46 35.88 2jyc s ILE 82 CO 0.09 -1.23 1.17 0.71 -1.23 0.00 0.00 174.94 174.45 2jyc h THR 83 N 6.04 1.29 0.00 2.92 1.35 -1.66 -2.52 112.91 120.34 2jyc h THR 83 Ca -0.26 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 2jyc h THR 83 Cb 1.07 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 2jyc h THR 83 CO 1.13 0.69 0.00 1.17 -0.25 0.00 0.00 175.52 178.25 2jyc n LYS 84 N -3.89 0.00 0.00 4.72 3.00 -1.26 -3.19 118.16 117.53 2jyc n LYS 84 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 2jyc n LYS 84 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.90 2jyc n LYS 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jyc n LYS 85 N 0.00 0.00 -4.38 1.64 5.02 -1.26 -4.56 118.16 114.61 2jyc n LYS 85 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2jyc n LYS 85 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 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 0.00 1.98 0.46 1.97 1.81 -1.26 -2.03 118.95 121.88 2jyc s ARG 86 Ca 0.00 -1.62 0.26 0.00 -1.72 0.00 0.00 55.73 52.65 2jyc s ARG 86 Cb 0.00 -1.95 0.94 0.00 -0.45 0.00 0.00 34.95 33.49 2jyc s ARG 86 CO 0.00 0.33 1.83 0.00 -0.68 0.00 0.00 175.30 176.78 2jyc h ALA 87 N 2.06 1.00 -0.08 2.13 0.00 -1.89 -1.03 119.26 121.45 2jyc h ALA 87 Ca -0.42 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2jyc h ALA 87 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jyc h ALA 87 CO 0.61 0.21 0.00 0.43 0.00 0.00 0.00 179.25 180.50 2jyc n SER 88 N -3.30 0.96 -4.86 0.00 7.64 -1.26 -4.83 113.62 107.97 2jyc n SER 88 Ca 0.01 -1.53 -0.22 0.00 1.01 0.00 0.00 58.87 58.13 2jyc n SER 88 Cb 0.42 -0.05 0.07 0.00 -1.01 0.00 0.00 64.21 63.64 2jyc n SER 88 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jyc s HIS 89 N -1.90 2.34 -0.02 1.43 3.76 -0.39 -5.10 115.29 115.41 2jyc s HIS 89 Ca 0.33 -0.10 0.05 0.00 -0.15 0.00 0.00 55.06 55.18 2jyc s HIS 89 Cb 0.17 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.97 2jyc s HIS 89 CO 0.26 -1.23 -0.15 0.15 -0.85 0.00 0.00 174.74 172.92 2jyc s LYS 90 N -4.94 2.36 0.41 1.40 -0.14 -1.26 -4.89 119.74 112.69 2jyc s LYS 90 Ca 0.61 -0.79 -0.26 0.00 -1.36 0.00 0.00 55.97 54.16 2jyc s LYS 90 Cb -0.08 -2.31 -0.09 0.00 -1.68 0.00 0.00 37.83 33.66 2jyc s LYS 90 CO 0.41 0.59 1.39 -1.25 -0.76 0.00 0.00 175.35 175.74 2jyc s PRO 91 N -0.98 3.91 0.18 -1.68 0.04 -1.26 -4.61 135.00 130.60 2jyc s PRO 91 Ca 0.13 2.36 0.08 0.00 0.04 0.00 0.00 61.00 63.61 2jyc s PRO 91 Cb -0.11 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2jyc s PRO 91 CO 0.02 -0.62 -0.05 0.95 0.04 0.00 0.00 177.00 177.35 2jyc s THR 92 N -1.20 3.43 0.05 1.26 -4.23 -1.19 -4.92 115.64 108.84 2jyc s THR 92 Ca 0.57 -1.57 -0.23 0.00 -1.18 0.00 0.00 61.69 59.28 2jyc s THR 92 Cb -0.42 -2.72 -0.16 0.00 1.34 0.00 0.00 72.50 70.55 2jyc s THR 92 CO 0.55 -0.12 1.57 1.88 -0.54 0.00 0.00 174.62 177.96 2jyc h TYR 93 N 2.78 0.06 -0.27 3.99 0.05 -1.95 -1.90 116.97 119.72 2jyc h TYR 93 Ca -0.47 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.27 2jyc h TYR 93 Cb 1.21 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 2jyc h TYR 93 CO 0.64 0.23 0.02 0.93 -1.05 0.00 0.00 178.16 178.93 2jyc h GLU 94 N -0.12 0.47 -0.27 4.88 3.07 -1.96 0.47 114.58 121.11 2jyc h GLU 94 Ca 0.01 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.57 2jyc h GLU 94 Cb 0.20 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2jyc h GLU 94 CO -0.00 0.61 -0.49 -0.91 -1.40 0.00 0.00 179.01 176.81 2jyc h ASN 95 N 0.27 0.83 -0.43 1.42 2.35 -1.81 0.13 115.58 118.34 2jyc h ASN 95 Ca 0.08 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 2jyc h ASN 95 Cb 0.38 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2jyc h ASN 95 CO 0.01 1.17 0.14 0.25 -1.65 0.00 0.00 177.43 177.35 2jyc h LEU 96 N 0.59 0.61 -0.29 1.61 5.85 -1.12 -1.48 115.31 121.08 2jyc h LEU 96 Ca 0.03 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.61 2jyc h LEU 96 Cb 1.06 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 2jyc h LEU 96 CO 0.10 0.65 -0.09 -0.61 -0.34 0.00 0.00 178.44 178.16 2jyc h GLN 97 N 0.55 -0.02 -0.34 1.25 4.15 0.28 0.57 115.11 121.55 2jyc h GLN 97 Ca 0.14 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 2jyc h GLN 97 Cb 0.25 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2jyc h GLN 97 CO -0.01 -0.01 0.03 0.87 -1.93 0.00 0.00 178.83 177.78 2jyc h LYS 98 N -0.02 0.52 -0.46 1.69 1.79 -0.63 0.28 116.57 119.73 2jyc h LYS 98 Ca 0.14 -0.10 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 2jyc h LYS 98 Cb 0.24 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2jyc h LYS 98 CO -0.31 0.52 0.08 0.77 -1.08 0.00 0.00 179.45 179.43 2jyc h SER 99 N 0.50 0.72 -0.53 0.86 0.02 -0.12 0.23 113.55 115.23 2jyc h SER 99 Ca 0.11 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2jyc h SER 99 Cb 0.28 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2jyc h SER 99 CO 0.00 0.79 0.29 -0.07 -1.14 0.00 0.00 176.83 176.71 2jyc h LEU 100 N 0.62 0.66 -0.12 5.07 -0.00 -0.34 -0.53 115.31 120.67 2jyc h LEU 100 Ca 0.14 -0.09 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 2jyc h LEU 100 Cb 0.37 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2jyc h LEU 100 CO 0.01 0.56 -0.05 -0.33 -0.00 0.00 0.00 178.44 178.62 2jyc h GLU 101 N 0.71 -0.04 -0.80 1.13 4.39 -0.70 -1.76 114.58 117.51 2jyc h GLU 101 Ca 0.19 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.97 2jyc h GLU 101 Cb 0.05 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.64 2jyc h GLU 101 CO -0.03 -0.03 0.45 0.00 -1.16 0.00 0.00 179.01 178.25 2jyc h ALA 102 N 1.07 1.12 -0.68 3.43 0.00 -0.31 -1.72 119.26 122.17 2jyc h ALA 102 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jyc h ALA 102 Cb 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2jyc h ALA 102 CO -0.15 0.10 0.40 0.52 0.00 0.00 0.00 179.25 180.12 2jyc h MET 103 N 0.78 0.94 0.03 0.00 2.86 -0.58 -2.91 114.93 116.04 2jyc h MET 103 Ca 0.38 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.95 2jyc h MET 103 Cb 0.32 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2jyc h MET 103 CO -0.23 0.67 -0.17 0.87 1.06 0.00 0.00 176.91 179.12 2jyc h LYS 104 N 0.93 -0.28 -0.44 1.72 1.57 -0.45 0.48 116.57 120.10 2jyc h LYS 104 Ca 0.24 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 2jyc h LYS 104 Cb -0.01 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2jyc h LYS 104 CO -0.04 -0.19 0.30 0.77 -0.57 0.00 0.00 179.45 179.72 2jyc h SER 105 N -0.29 0.37 -0.04 0.86 0.02 -1.44 -0.52 113.55 112.52 2jyc h SER 105 Ca 0.04 -0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.75 2jyc h SER 105 Cb 0.34 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.82 2jyc h SER 105 CO -0.14 0.25 -0.94 -0.74 -1.14 0.00 0.00 176.83 174.12 2jyc h HIS 106 N 0.42 1.02 -0.87 3.45 -0.00 -1.19 -3.19 115.15 114.79 2jyc h HIS 106 Ca 0.19 -0.53 0.04 0.00 -0.00 0.00 0.00 60.37 60.07 2jyc h HIS 106 Cb 0.20 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 27.44 2jyc h HIS 106 CO -0.00 1.36 0.57 0.00 -0.00 0.00 0.00 177.93 179.86 2jyc h LEU 108 N 1.06 0.99 -0.58 0.00 4.07 -1.44 0.30 115.31 119.71 2jyc h LEU 108 Ca 0.35 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2jyc h LEU 108 Cb 0.08 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 2jyc h LEU 108 CO -0.11 0.83 0.37 0.11 -1.08 0.00 0.00 178.44 178.56 2jyc h LYS 109 N 1.07 0.77 0.00 1.13 1.57 -1.22 -3.27 116.57 116.62 2jyc h LYS 109 Ca 0.27 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2jyc h LYS 109 Cb 0.09 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2jyc h LYS 109 CO -0.04 0.52 -0.95 0.27 -0.57 0.00 0.00 179.45 178.68 2jyc n ASN 110 N -4.67 1.21 -0.60 0.86 0.23 -1.14 -5.05 115.26 106.09 2jyc n ASN 110 Ca 0.04 -0.47 0.00 0.00 -0.53 0.00 0.00 54.58 53.62 2jyc n ASN 110 Cb 0.03 1.22 0.00 0.00 -2.08 0.00 0.00 39.78 38.95 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 1.49 0.32 3.33 4.83 0.00 0.85 -5.09 105.19 110.91 2jyc n GLY 111 Ca 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.93 3.09 0.00 1.61 1.01 -0.07 -4.93 120.40 119.17 2jyc s VAL 112 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2jyc s VAL 112 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2jyc s VAL 112 CO 0.00 0.49 0.11 1.07 0.00 0.00 0.00 175.10 176.76 2jyc n THR 113 N 4.10 0.01 -4.04 3.92 5.66 -1.26 -4.74 114.28 117.93 2jyc n THR 113 Ca -0.18 -0.05 -0.26 0.00 -3.05 0.00 0.00 64.05 60.50 2jyc n THR 113 Cb 0.52 1.79 -0.17 0.00 -1.55 0.00 0.00 70.33 70.92 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 -0.01 2.00 0.01 1.09 1.11 -1.26 0.04 116.67 119.65 2jyc s ASP 114 Ca 0.00 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.45 2jyc s ASP 114 Cb 0.00 -0.79 -0.01 0.00 1.07 0.00 0.00 42.92 43.18 2jyc s ASP 114 CO 0.00 -0.09 -0.02 -0.22 1.18 0.00 0.00 175.17 176.02 2jyc s LEU 115 N 1.48 2.14 0.01 1.23 2.96 0.95 -1.08 118.68 126.35 2jyc s LEU 115 Ca 0.00 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2jyc s LEU 115 Cb -0.13 0.04 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 2jyc s LEU 115 CO -0.05 -0.17 -0.09 -0.94 -1.32 0.00 0.00 176.35 173.78 2jyc s SER 116 N -0.84 1.05 0.08 3.68 1.04 0.21 0.02 113.70 118.94 2jyc s SER 116 Ca -0.09 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 55.97 2jyc s SER 116 Cb -0.06 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.99 2jyc s SER 116 CO -0.01 0.06 0.30 0.00 0.98 0.00 0.00 173.24 174.57 2jyc s MET 117 N -0.49 0.91 0.70 4.02 0.23 0.25 -1.29 119.30 123.63 2jyc s MET 117 Ca 0.01 -0.71 -0.11 0.00 -1.03 0.00 0.00 55.69 53.85 2jyc s MET 117 Cb -0.05 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 2jyc s MET 117 CO -0.00 -0.31 1.08 -1.25 -2.03 0.00 0.00 175.02 172.50 2jyc s PRO 118 N -3.36 2.90 -0.83 3.16 0.04 -1.26 -0.27 135.00 135.39 2jyc s PRO 118 Ca 0.01 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 61.45 2jyc s PRO 118 Cb 0.02 -2.01 -0.19 0.00 0.04 0.00 0.00 34.50 32.36 2jyc s PRO 118 CO -0.08 -1.04 2.13 2.89 0.04 0.00 0.00 177.00 180.93 2jyc n ARG 119 N -3.04 0.27 -1.32 4.56 -4.01 -0.62 -4.70 116.66 107.79 2jyc n ARG 119 Ca 0.07 -0.90 -0.30 0.00 -1.04 0.00 0.00 57.85 55.67 2jyc n ARG 119 Cb 0.56 -3.09 0.24 0.00 -3.04 0.00 0.00 32.46 27.13 2jyc n ARG 119 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 2jyc s ILE 120 N 11.90 1.67 0.00 8.89 -4.36 -1.26 -4.54 121.20 133.49 2jyc s ILE 120 Ca 0.85 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 61.24 2jyc s ILE 120 Cb -0.20 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 40.88 2jyc s ILE 120 CO 0.18 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.97 2jyc n GLY 121 N -1.77 2.02 5.00 6.27 0.00 -1.26 -4.94 105.19 110.51 2jyc n GLY 121 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 5.47 3.50 0.00 0.00 -1.26 -4.91 105.19 107.99 2jyc n GLY 123 Ca 0.00 -2.36 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 2jyc n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jyc s LEU 124 N -3.61 4.13 0.08 0.99 1.43 -1.26 -4.32 118.68 116.11 2jyc s LEU 124 Ca 0.50 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2jyc s LEU 124 Cb 0.33 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2jyc s LEU 124 CO -0.26 -1.43 0.00 -0.67 0.23 0.00 0.00 176.35 174.22 2jyc n ASP 125 N 7.99 0.60 0.08 2.29 2.03 -1.26 -4.79 116.55 123.50 2jyc n ASP 125 Ca 0.14 0.12 -0.11 0.00 0.52 0.00 0.00 54.79 55.45 2jyc n ASP 125 Cb 0.48 -0.15 -0.12 0.00 -0.72 0.00 0.00 41.12 40.62 2jyc n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2jyc h ARG 126 N 0.00 0.15 -6.19 -0.67 2.43 -1.96 -3.45 114.38 104.69 2jyc h ARG 126 Ca 0.00 -0.24 -0.62 0.00 -0.81 0.00 0.00 59.98 58.31 2jyc h ARG 126 Cb 0.32 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.87 2jyc h ARG 126 CO 0.00 1.10 -0.59 -0.48 -1.51 0.00 0.00 179.97 178.48 2jyc s LEU 127 N -7.00 3.79 0.22 3.80 2.34 -1.26 -5.12 118.68 115.45 2jyc s LEU 127 Ca -0.02 -0.05 0.10 0.00 0.06 0.00 0.00 54.13 54.22 2jyc s LEU 127 Cb 0.09 -2.46 -0.05 0.00 -0.56 0.00 0.00 46.19 43.21 2jyc s LEU 127 CO 0.85 0.14 -0.18 -1.58 -1.06 0.00 0.00 176.35 174.52 2jyc s GLN 128 N -2.58 1.44 0.18 1.48 2.00 -1.26 -4.61 119.66 116.31 2jyc s GLN 128 Ca 0.30 -1.59 -0.12 0.00 -2.00 0.00 0.00 55.36 51.94 2jyc s GLN 128 Cb -0.12 -1.45 0.14 0.00 0.80 0.00 0.00 33.01 32.39 2jyc s GLN 128 CO 0.22 0.27 1.80 2.35 -0.50 0.00 0.00 175.29 179.44 2jyc h TRP 129 N 2.72 0.56 -0.52 1.67 2.91 -1.97 -2.58 115.95 118.75 2jyc h TRP 129 Ca -0.41 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.63 2jyc h TRP 129 Cb 1.23 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.68 2jyc h TRP 129 CO 0.73 0.29 0.29 1.05 -1.03 0.00 0.00 178.44 179.78 2jyc h GLU 130 N 0.59 0.70 -0.07 2.65 9.09 -1.98 0.44 114.58 126.00 2jyc h GLU 130 Ca 0.23 -0.06 -0.10 0.00 0.05 0.00 0.00 59.36 59.47 2jyc h GLU 130 Cb 0.09 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.03 2jyc h GLU 130 CO -0.13 0.51 -0.42 -0.91 0.05 0.00 0.00 179.01 178.10 2jyc h ASN 131 N 0.71 0.17 0.02 3.06 2.35 -1.93 -0.50 115.58 119.46 2jyc h ASN 131 Ca 0.18 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2jyc h ASN 131 Cb 0.01 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2jyc h ASN 131 CO -0.03 0.58 -0.01 0.58 -1.65 0.00 0.00 177.43 176.89 2jyc h VAL 132 N 0.13 1.41 -0.57 2.81 2.07 -0.51 -2.63 116.25 118.96 2jyc h VAL 132 Ca 0.01 -1.39 0.10 0.00 0.82 0.00 0.00 66.70 66.24 2jyc h VAL 132 Cb 0.81 2.33 -0.08 0.00 -1.52 0.00 0.00 31.29 32.84 2jyc h VAL 132 CO 0.06 0.35 0.15 -1.28 0.02 0.00 0.00 177.57 176.88 2jyc h SER 133 N -0.64 0.08 -0.11 0.57 0.87 -0.15 0.18 113.55 114.34 2jyc h SER 133 Ca -0.00 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2jyc h SER 133 Cb 0.60 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2jyc h SER 133 CO 0.00 0.06 -0.00 0.00 -0.53 0.00 0.00 176.83 176.36 2jyc h ALA 134 N 1.43 0.10 -0.62 6.23 0.00 -1.13 -0.63 119.26 124.62 2jyc h ALA 134 Ca 0.29 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2jyc h ALA 134 Cb 0.39 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2jyc h ALA 134 CO -0.34 -0.46 0.28 1.98 0.00 0.00 0.00 179.25 180.70 2jyc h MET 135 N 0.04 0.89 -0.42 0.00 -1.53 -0.97 0.39 114.93 113.32 2jyc h MET 135 Ca 0.05 -0.13 -0.05 0.00 -3.44 0.00 0.00 59.70 56.14 2jyc h MET 135 Cb 0.06 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 30.93 2jyc h MET 135 CO -0.09 0.71 0.07 0.82 0.14 0.00 0.00 176.91 178.55 2jyc h ILE 136 N 0.89 1.20 0.08 1.77 2.04 -0.09 0.58 117.51 123.99 2jyc h ILE 136 Ca 0.21 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2jyc h ILE 136 Cb 0.13 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2jyc h ILE 136 CO -0.02 0.27 -0.04 -0.33 0.00 0.00 0.00 178.15 178.03 2jyc h GLU 137 N 0.62 -0.10 -0.16 2.37 4.39 -0.16 -3.02 114.58 118.51 2jyc h GLU 137 Ca 0.14 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.86 2jyc h GLU 137 Cb 0.29 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2jyc h GLU 137 CO 0.00 0.12 0.11 0.93 -1.16 0.00 0.00 179.01 179.01 2jyc h GLU 138 N -0.31 0.12 0.04 2.33 5.08 -0.25 0.20 114.58 121.79 2jyc h GLU 138 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jyc h GLU 138 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jyc h GLU 138 CO 0.02 0.08 -0.02 0.28 -1.00 0.00 0.00 179.01 178.37 2jyc h VAL 139 N 0.13 1.37 -0.16 3.13 2.07 -0.91 -3.36 116.25 118.51 2jyc h VAL 139 Ca 0.07 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 2jyc h VAL 139 Cb 0.12 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2jyc h VAL 139 CO -0.01 0.37 -0.16 -0.26 0.02 0.00 0.00 177.57 177.52 2jyc h PHE 140 N -0.72 0.47 0.00 1.57 -1.00 -1.32 -3.45 116.94 112.50 2jyc h PHE 140 Ca -0.00 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.63 2jyc h PHE 140 Cb 0.64 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2jyc h PHE 140 CO 0.14 0.77 0.00 -0.85 -1.61 0.00 0.00 178.31 176.77 2jyc n GLU 141 N -4.52 0.00 0.12 1.51 -0.00 0.67 -0.28 120.64 118.13 2jyc n GLU 141 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.08 2jyc n GLU 141 Cb 0.37 0.00 0.06 0.00 -0.00 0.00 0.00 31.44 31.87 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jyc h ALA 142 N 0.00 0.68 -2.20 -1.84 0.00 -1.89 -3.44 119.26 110.57 2jyc h ALA 142 Ca 0.00 -0.64 -0.47 0.00 0.00 0.00 0.00 54.91 53.80 2jyc h ALA 142 Cb 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jyc h ALA 142 CO 0.00 0.88 0.37 0.95 0.00 0.00 0.00 179.25 181.45 2jyc s THR 143 N -3.14 4.33 -0.49 0.00 -4.23 0.61 -5.03 115.64 107.70 2jyc s THR 143 Ca 0.01 1.21 0.03 0.00 -1.18 0.00 0.00 61.69 61.76 2jyc s THR 143 Cb 0.10 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.45 2jyc s THR 143 CO 0.77 -0.55 0.24 -0.62 -0.54 0.00 0.00 174.62 173.93 2jyc s ASP 144 N -2.75 4.11 -0.17 3.99 2.15 -1.26 -4.92 116.67 117.82 2jyc s ASP 144 Ca 0.61 -2.85 0.02 0.00 0.43 0.00 0.00 52.55 50.76 2jyc s ASP 144 Cb -0.11 -1.43 0.02 0.00 -0.30 0.00 0.00 42.92 41.09 2jyc s ASP 144 CO 0.27 -0.25 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.19 2jyc s ILE 145 N -0.03 2.08 -0.32 4.11 1.01 -1.26 -4.75 121.20 122.03 2jyc s ILE 145 Ca 0.17 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 2jyc s ILE 145 Cb -0.25 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.38 2jyc s ILE 145 CO -0.00 0.54 1.00 -0.54 0.00 0.00 0.00 174.94 175.94 2jyc s LYS 146 N 1.11 4.03 -0.25 2.79 -0.14 0.11 -4.89 119.74 122.50 2jyc s LYS 146 Ca 0.00 0.94 -0.07 0.00 -1.36 0.00 0.00 55.97 55.49 2jyc s LYS 146 Cb -0.14 -3.74 -0.02 0.00 -1.68 0.00 0.00 37.83 32.25 2jyc s LYS 146 CO -0.09 -0.85 0.05 0.42 -0.76 0.00 0.00 175.35 174.12 2jyc s ILE 147 N 3.48 4.11 -0.25 2.17 1.01 -0.87 -0.04 121.20 130.81 2jyc s ILE 147 Ca 0.42 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2jyc s ILE 147 Cb -0.13 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 2jyc s ILE 147 CO 0.15 0.33 0.05 -0.89 0.00 0.00 0.00 174.94 174.58 2jyc s THR 148 N 1.58 4.05 -0.31 2.92 2.01 0.10 -0.25 115.64 125.75 2jyc s THR 148 Ca 0.06 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 2jyc s THR 148 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 2jyc s THR 148 CO 0.02 0.30 0.20 -0.69 -0.69 0.00 0.00 174.62 173.76 2jyc s VAL 149 N 1.56 5.19 0.00 3.82 1.01 0.21 -0.58 120.40 131.62 2jyc s VAL 149 Ca 0.05 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 2jyc s VAL 149 Cb -0.15 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 2jyc s VAL 149 CO 0.02 0.12 0.43 -0.31 0.00 0.00 0.00 175.10 175.36 2jyc s TYR 150 N 1.72 3.73 -0.10 5.22 1.51 0.63 -0.40 117.35 129.66 2jyc s TYR 150 Ca 0.06 1.02 0.04 0.00 -1.01 0.00 0.00 57.07 57.18 2jyc s TYR 150 Cb -0.17 -2.33 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 2jyc s TYR 150 CO 0.10 0.61 -0.22 0.95 -1.11 0.00 0.00 175.55 175.88 2jyc s THR 151 N -0.98 1.92 0.00 -0.71 -4.23 0.14 -1.59 115.64 110.18 2jyc s THR 151 Ca 0.24 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2jyc s THR 151 Cb -0.17 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.00 2jyc s THR 151 CO 0.14 0.53 0.00 -0.11 -0.54 0.00 0.00 174.62 174.64