#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 1.45 -1.39 -1.84 0.00 -1.26 -5.04 121.76 113.68 2jyc s ALA 2 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 2jyc s ALA 2 Cb 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.16 2jyc s ALA 2 CO 0.00 0.00 2.02 -1.13 0.00 0.00 0.00 175.76 176.65 2jyc n SER 3 N 0.20 4.34 0.01 0.00 3.41 -1.26 -4.54 113.62 115.78 2jyc n SER 3 Ca -0.13 -2.88 -0.09 0.00 -0.26 0.00 0.00 58.87 55.51 2jyc n SER 3 Cb 0.59 -1.69 -0.07 0.00 -0.26 0.00 0.00 64.21 62.78 2jyc n SER 3 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2jyc h SER 4 N 6.64 -0.11 -3.25 4.04 0.87 -1.96 -3.41 113.55 116.36 2jyc h SER 4 Ca 0.52 -0.40 -0.58 0.00 -1.23 0.00 0.00 61.79 60.10 2jyc h SER 4 Cb 0.73 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.65 2jyc h SER 4 CO 1.70 0.53 0.50 -1.48 -0.53 0.00 0.00 176.83 177.55 2jyc s LEU 5 N -8.71 4.14 -0.30 2.23 -0.00 -1.26 -5.00 118.68 109.79 2jyc s LEU 5 Ca -0.11 1.21 -0.11 0.00 -0.00 0.00 0.00 54.13 55.13 2jyc s LEU 5 Cb -0.00 -3.31 0.12 0.00 -0.00 0.00 0.00 46.19 43.00 2jyc s LEU 5 CO 0.40 -0.48 0.65 0.21 -0.00 0.00 0.00 176.35 177.12 2jyc s ASN 6 N 1.21 -1.11 0.01 1.48 3.04 -1.26 -5.11 114.94 113.20 2jyc s ASN 6 Ca 0.39 1.56 0.00 0.00 0.04 0.00 0.00 52.86 54.85 2jyc s ASN 6 Cb -0.16 2.19 -0.01 0.00 -1.54 0.00 0.00 41.25 41.73 2jyc s ASN 6 CO 0.10 -0.22 -0.01 -1.83 -3.04 0.00 0.00 177.10 172.10 2jyc s GLU 7 N 2.76 0.15 -0.08 0.43 -1.05 -1.26 -5.16 118.70 114.50 2jyc s GLU 7 Ca -0.06 -0.30 -0.14 0.00 -0.15 0.00 0.00 54.97 54.32 2jyc s GLU 7 Cb -0.11 0.05 0.03 0.00 -0.44 0.00 0.00 34.13 33.66 2jyc s GLU 7 CO -0.19 -0.02 0.35 -0.51 0.95 0.00 0.00 175.26 175.83 2jyc s ASP 8 N -0.72 -0.30 0.61 0.83 1.01 -1.26 -5.16 116.67 111.68 2jyc s ASP 8 Ca -0.08 0.44 -0.15 0.00 0.71 0.00 0.00 52.55 53.47 2jyc s ASP 8 Cb -0.05 0.55 -0.03 0.00 1.01 0.00 0.00 42.92 44.40 2jyc s ASP 8 CO -0.00 -0.28 1.06 -2.16 0.21 0.00 0.00 175.17 174.00 2jyc s PRO 9 N -0.52 3.22 -0.12 8.23 0.04 -1.26 -5.00 135.00 139.59 2jyc s PRO 9 Ca -0.06 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 62.09 2jyc s PRO 9 Cb -0.04 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2jyc s PRO 9 CO 0.02 -0.89 0.10 0.93 0.04 0.00 0.00 177.00 177.21 2jyc h GLU 10 N 0.27 0.00 0.00 4.56 5.08 -2.00 -3.48 114.58 119.02 2jyc h GLU 10 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2jyc h GLU 10 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jyc h GLU 10 CO 0.57 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 179.22 2jyc n GLY 11 N 1.69 -1.81 0.00 -3.84 0.00 -1.26 -4.50 105.19 95.47 2jyc n GLY 11 Ca -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2jyc n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jyc n SER 12 N 0.40 0.00 0.00 1.61 2.88 -1.26 -5.00 113.62 112.25 2jyc n SER 12 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2jyc n SER 12 Cb 0.00 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2jyc n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jyc n ARG 13 N -1.84 0.00 -3.51 -1.46 5.12 -1.26 -4.87 116.66 108.85 2jyc n ARG 13 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 2jyc n ARG 13 Cb 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.21 2jyc n ARG 13 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jyc s ILE 14 N -0.68 5.26 -0.07 0.55 1.01 -1.26 -1.30 121.20 124.71 2jyc s ILE 14 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 60.65 61.10 2jyc s ILE 14 Cb 0.00 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2jyc s ILE 14 CO 0.00 0.25 -0.22 -0.89 0.00 0.00 0.00 174.94 174.08 2jyc s THR 15 N 1.56 2.34 -0.19 2.92 2.01 0.21 -4.99 115.64 119.51 2jyc s THR 15 Ca 0.12 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 2jyc s THR 15 Cb -0.15 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2jyc s THR 15 CO 0.08 0.56 0.08 -0.31 -0.69 0.00 0.00 174.62 174.35 2jyc s TYR 16 N -0.09 3.31 0.00 4.92 2.02 -1.26 0.40 117.35 126.65 2jyc s TYR 16 Ca -0.05 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 2jyc s TYR 16 Cb -0.14 -2.10 -0.00 0.00 -0.40 0.00 0.00 41.96 39.31 2jyc s TYR 16 CO 0.04 0.21 -0.01 0.08 -1.57 0.00 0.00 175.55 174.31 2jyc s VAL 17 N 0.33 0.03 0.16 0.71 1.01 -0.07 -4.95 120.40 117.63 2jyc s VAL 17 Ca 0.05 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 2jyc s VAL 17 Cb -0.12 -0.07 -0.08 0.00 0.00 0.00 0.00 36.38 36.11 2jyc s VAL 17 CO -0.01 -0.11 0.76 -1.59 0.00 0.00 0.00 175.10 174.15 2jyc s LYS 18 N -0.32 4.52 0.00 2.72 0.00 -1.26 -1.05 119.74 124.35 2jyc s LYS 18 Ca -0.03 1.11 0.00 0.00 0.00 0.00 0.00 55.97 57.04 2jyc s LYS 18 Cb -0.02 -3.24 0.00 0.00 0.00 0.00 0.00 37.83 34.57 2jyc s LYS 18 CO -0.00 0.57 0.00 0.41 0.00 0.00 0.00 175.35 176.33 2jyc n GLY 19 N 1.56 -1.10 3.68 0.59 0.00 -0.95 -4.87 105.19 104.10 2jyc n GLY 19 Ca -0.06 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 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 5.77 0.39 1.61 2.15 -1.26 -4.49 116.67 116.84 2jyc s ASP 20 Ca 0.00 0.15 0.16 0.00 0.43 0.00 0.00 52.55 53.29 2jyc s ASP 20 Cb 0.00 -1.96 0.82 0.00 -0.30 0.00 0.00 42.92 41.48 2jyc s ASP 20 CO 0.00 0.21 1.85 0.25 -0.17 0.00 0.00 175.17 177.31 2jyc h LEU 21 N 6.40 0.00 0.00 -1.34 7.12 -1.96 -2.46 115.31 123.07 2jyc h LEU 21 Ca -0.40 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.61 2jyc h LEU 21 Cb 1.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2jyc h LEU 21 CO 0.69 0.34 -0.04 0.49 -0.13 0.00 0.00 178.44 179.78 2jyc n PHE 22 N -3.93 0.52 1.53 1.25 3.72 -1.26 -2.58 117.46 116.72 2jyc n PHE 22 Ca -0.02 0.15 0.14 0.00 -0.05 0.00 0.00 57.45 57.67 2jyc n PHE 22 Cb 0.40 -0.73 0.56 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.67 2.58 -1.78 4.37 0.00 -0.93 -4.92 120.51 118.17 2jyc n ALA 23 Ca 0.06 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 2jyc n ALA 23 Cb 0.39 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 0.96 1.63 0.24 0.00 -0.04 -1.26 -4.88 135.00 131.64 2jyc n PRO 25 Ca 0.00 0.59 0.16 0.00 -0.04 0.00 0.00 63.50 64.21 2jyc n PRO 25 Cb 0.42 -2.32 0.77 0.00 -0.04 0.00 0.00 33.50 32.33 2jyc n PRO 25 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jyc h LYS 26 N 1.65 0.00 0.00 0.54 3.11 -1.98 -1.61 116.57 118.27 2jyc h LYS 26 Ca -0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2jyc h LYS 26 Cb 1.31 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.54 2jyc h LYS 26 CO 0.58 0.00 0.00 0.25 -2.81 0.00 0.00 179.45 177.47 2jyc n THR 27 N -2.72 0.67 -4.44 1.00 -2.24 -1.26 -4.43 114.28 100.86 2jyc n THR 27 Ca -0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2jyc n THR 27 Cb 0.17 -0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 67.44 2jyc n THR 27 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jyc s ASP 28 N -4.14 4.92 0.69 3.42 1.11 -0.61 -4.73 116.67 117.32 2jyc s ASP 28 Ca 0.08 -0.01 -0.03 0.00 0.18 0.00 0.00 52.55 52.77 2jyc s ASP 28 Cb 0.11 -1.52 0.09 0.00 1.07 0.00 0.00 42.92 42.66 2jyc s ASP 28 CO 0.48 0.29 0.96 -0.44 1.18 0.00 0.00 175.17 177.64 2jyc s SER 29 N -0.34 4.66 0.00 0.27 0.01 0.24 -4.81 113.70 113.73 2jyc s SER 29 Ca 0.06 0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.44 2jyc s SER 29 Cb -0.12 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.46 2jyc s SER 29 CO 0.02 -1.65 -0.23 -0.76 0.41 0.00 0.00 173.24 171.04 2jyc s LEU 30 N -5.13 2.08 -0.01 2.44 1.43 -0.91 0.03 118.68 118.62 2jyc s LEU 30 Ca 0.62 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2jyc s LEU 30 Cb -0.08 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 2jyc s LEU 30 CO 0.43 0.26 -0.10 0.00 0.23 0.00 0.00 176.35 177.17 2jyc s ALA 31 N -0.61 0.84 0.22 4.21 0.00 -1.11 0.44 121.76 125.76 2jyc s ALA 31 Ca 0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 2jyc s ALA 31 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2jyc s ALA 31 CO -0.00 0.20 0.36 -1.01 0.00 0.00 0.00 175.76 175.31 2jyc s HIS 32 N -0.20 0.58 -0.09 0.00 3.76 0.32 -4.59 115.29 115.07 2jyc s HIS 32 Ca 0.03 -0.91 0.03 0.00 -0.15 0.00 0.00 55.06 54.06 2jyc s HIS 32 Cb -0.04 -0.05 -0.01 0.00 1.11 0.00 0.00 32.58 33.59 2jyc s HIS 32 CO -0.00 -0.86 -0.17 0.00 -0.85 0.00 0.00 174.74 172.85 2jyc s ILE 34 N -0.02 0.00 0.18 0.00 -4.36 0.23 -4.89 121.20 112.34 2jyc s ILE 34 Ca -0.05 -1.89 -0.06 0.00 -0.26 0.00 0.00 60.65 58.39 2jyc s ILE 34 Cb -0.14 -2.47 -0.06 0.00 1.25 0.00 0.00 42.46 41.04 2jyc s ILE 34 CO 0.04 0.00 0.44 -0.94 0.24 0.00 0.00 174.94 174.73 2jyc s SER 35 N -3.18 6.52 0.11 4.36 1.04 -1.25 -2.43 113.70 118.87 2jyc s SER 35 Ca 0.36 0.69 0.16 0.00 0.48 0.00 0.00 55.95 57.65 2jyc s SER 35 Cb 0.05 -2.13 0.71 0.00 0.10 0.00 0.00 66.02 64.75 2jyc s SER 35 CO 0.15 -0.01 1.51 -1.84 0.98 0.00 0.00 173.24 174.03 2jyc n GLU 36 N -0.11 0.08 0.00 4.02 0.28 0.36 -0.77 120.64 124.51 2jyc n GLU 36 Ca -0.02 0.37 0.11 0.00 -0.16 0.00 0.00 57.16 57.47 2jyc n GLU 36 Cb 0.52 -1.66 0.02 0.00 1.43 0.00 0.00 31.44 31.75 2jyc n GLU 36 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jyc n ASP 37 N -1.81 1.35 -3.50 -1.84 2.03 -1.24 -4.78 116.55 106.75 2jyc n ASP 37 Ca 0.02 -1.11 -0.21 0.00 0.52 0.00 0.00 54.79 54.01 2jyc n ASP 37 Cb 0.16 0.63 0.03 0.00 -0.72 0.00 0.00 41.12 41.21 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 -0.98 -0.08 0.00 0.00 2.47 -1.92 -3.48 114.38 110.37 2jyc h ARG 39 Ca -0.50 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 2jyc h ARG 39 Cb 1.28 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2jyc h ARG 39 CO 0.42 0.50 0.00 -1.33 0.56 0.00 0.00 179.97 180.11 2jyc n MET 40 N -4.81 0.00 0.00 0.04 2.81 -1.26 -4.86 117.12 109.04 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 0.88 3.50 3.03 0.00 -1.26 -4.76 105.19 106.58 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 -0.24 0.26 0.00 4.61 0.00 -1.26 -4.88 121.76 120.24 2jyc s ALA 42 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2jyc s ALA 42 Cb 0.00 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.27 2jyc s ALA 42 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2jyc n GLY 43 N -0.41 0.55 0.21 0.00 0.00 -1.26 -2.14 105.19 102.14 2jyc n GLY 43 Ca -0.00 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 0.53 -0.41 -0.61 6.09 -1.97 -3.24 117.51 117.90 2jyc h ILE 44 Ca 0.00 -1.29 -0.11 0.00 -1.37 0.00 0.00 64.86 62.09 2jyc h ILE 44 Cb 0.00 1.91 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 2jyc h ILE 44 CO 0.00 0.24 -0.18 0.00 -3.07 0.00 0.00 178.15 175.14 2jyc h ALA 45 N 1.76 0.91 -0.25 0.18 0.00 -1.89 -2.13 119.26 117.82 2jyc h ALA 45 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2jyc h ALA 45 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jyc h ALA 45 CO 0.03 0.62 0.01 -0.24 0.00 0.00 0.00 179.25 179.67 2jyc h VAL 46 N 0.70 1.15 -0.45 0.00 3.04 -1.45 0.18 116.25 119.42 2jyc h VAL 46 Ca 0.11 -0.59 -0.09 0.00 -1.01 0.00 0.00 66.70 65.11 2jyc h VAL 46 Cb 0.68 0.96 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 2jyc h VAL 46 CO 0.05 0.20 -0.08 -0.07 -1.01 0.00 0.00 177.57 176.67 2jyc h LEU 47 N 0.36 0.78 -0.30 3.16 3.38 -1.52 0.26 115.31 121.44 2jyc h LEU 47 Ca 0.08 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 2jyc h LEU 47 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2jyc h LEU 47 CO 0.01 0.89 -0.80 -0.26 0.09 0.00 0.00 178.44 178.37 2jyc h PHE 48 N 0.73 0.00 0.06 1.13 -1.00 -0.98 0.28 116.94 117.16 2jyc h PHE 48 Ca 0.13 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 2jyc h PHE 48 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 2jyc h PHE 48 CO 0.03 0.80 -0.03 -0.22 -1.61 0.00 0.00 178.31 177.29 2jyc h LYS 49 N 0.00 -0.07 0.03 1.51 3.11 -0.65 0.18 116.57 120.68 2jyc h LYS 49 Ca -0.01 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jyc h LYS 49 Cb 1.47 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.72 2jyc h LYS 49 CO 0.10 -0.01 -0.02 0.87 -2.81 0.00 0.00 179.45 177.59 2jyc h LYS 50 N -0.11 -0.04 0.13 1.90 1.57 -0.36 -2.74 116.57 116.92 2jyc h LYS 50 Ca -0.01 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2jyc h LYS 50 Cb 0.09 0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.43 2jyc h LYS 50 CO 0.01 0.34 -0.90 0.87 -0.57 0.00 0.00 179.45 179.20 2jyc h LYS 51 N -0.44 0.28 0.00 3.15 1.57 -0.47 -3.39 116.57 117.28 2jyc h LYS 51 Ca -0.00 -0.48 -0.18 0.00 -1.87 0.00 0.00 60.65 58.12 2jyc h LYS 51 Cb 0.41 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2jyc h LYS 51 CO 0.01 1.23 -1.80 1.19 -0.57 0.00 0.00 179.45 179.51 2jyc n PHE 52 N -4.11 0.49 -2.34 -1.35 3.01 0.55 -4.96 117.46 108.75 2jyc n PHE 52 Ca -0.16 0.16 -0.15 0.00 1.01 0.00 0.00 57.45 58.32 2jyc n PHE 52 Cb 0.83 -0.92 -0.01 0.00 -0.01 0.00 0.00 39.48 39.36 2jyc n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jyc n GLY 53 N 1.45 -0.33 1.32 1.37 0.00 -0.63 -4.84 105.19 103.55 2jyc n GLY 53 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.81 2.65 0.17 -0.02 0.00 -1.26 -4.30 105.19 101.62 2jyc n GLY 54 Ca -0.17 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 2jyc n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jyc h VAL 55 N 0.79 1.17 -0.76 1.61 2.07 -1.90 -1.69 116.25 117.53 2jyc h VAL 55 Ca 0.16 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2jyc h VAL 55 Cb 1.50 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2jyc h VAL 55 CO 0.35 0.18 0.27 1.56 0.02 0.00 0.00 177.57 179.94 2jyc h GLN 56 N 0.43 1.16 -0.78 1.57 7.50 -1.98 0.16 115.11 123.18 2jyc h GLN 56 Ca 0.12 -0.23 -0.03 0.00 0.50 0.00 0.00 58.65 59.01 2jyc h GLN 56 Cb 0.13 -0.18 -0.04 0.00 0.05 0.00 0.00 27.48 27.45 2jyc h GLN 56 CO -0.01 0.97 0.38 0.93 -1.50 0.00 0.00 178.83 179.59 2jyc h GLU 57 N 1.12 1.11 -0.00 1.46 5.08 -1.78 0.84 114.58 122.41 2jyc h GLU 57 Ca 0.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2jyc h GLU 57 Cb 0.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jyc h GLU 57 CO -0.01 0.85 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.74 2jyc h LEU 58 N 1.10 0.04 -1.02 1.33 3.38 -0.96 -3.31 115.31 115.86 2jyc h LEU 58 Ca 0.27 -0.71 0.01 0.00 0.09 0.00 0.00 57.88 57.54 2jyc h LEU 58 Cb 0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2jyc h LEU 58 CO -0.04 0.74 0.64 -0.07 0.09 0.00 0.00 178.44 179.80 2jyc h LEU 59 N -0.66 1.14 -2.37 1.67 3.38 -0.42 -1.15 115.31 116.89 2jyc h LEU 59 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jyc h LEU 59 Cb 0.74 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jyc h LEU 59 CO 0.01 0.83 0.00 0.78 0.09 0.00 0.00 178.44 180.15 2jyc h ASN 60 N 1.34 0.00 0.82 -0.43 2.35 -0.97 -1.01 115.58 117.68 2jyc h ASN 60 Ca 0.36 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.92 2jyc h ASN 60 Cb -0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2jyc h ASN 60 CO -0.08 0.00 -0.87 1.56 -1.65 0.00 0.00 177.43 176.39 2jyc h GLN 61 N 0.00 0.03 -6.34 0.81 4.20 -1.30 -3.49 115.11 109.03 2jyc h GLN 61 Ca 0.00 -0.04 -0.33 0.00 0.06 0.00 0.00 58.65 58.34 2jyc h GLN 61 Cb 0.18 0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.98 2jyc h GLN 61 CO 0.00 0.88 -1.01 1.04 -0.67 0.00 0.00 178.83 179.08 2jyc n GLN 62 N -3.54 -1.87 -2.58 1.46 6.02 -0.39 -5.00 117.38 111.48 2jyc n GLN 62 Ca -0.01 1.38 -0.23 0.00 -0.01 0.00 0.00 57.00 58.13 2jyc n GLN 62 Cb 0.82 -2.88 0.04 0.00 1.02 0.00 0.00 30.24 29.24 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 -3.10 2.62 0.29 -1.09 -0.14 -1.26 -5.11 119.74 111.95 2jyc s LYS 63 Ca 0.25 -0.52 0.07 0.00 -1.36 0.00 0.00 55.97 54.41 2jyc s LYS 63 Cb -0.03 -2.41 -0.06 0.00 -1.68 0.00 0.00 37.83 33.65 2jyc s LYS 63 CO 0.86 -0.74 -0.06 0.15 -0.76 0.00 0.00 175.35 174.80 2jyc s LYS 64 N -4.85 1.59 -0.06 1.68 -0.14 -1.26 -4.75 119.74 111.95 2jyc s LYS 64 Ca 0.56 -1.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.07 2jyc s LYS 64 Cb -0.10 -1.23 -0.07 0.00 -1.68 0.00 0.00 37.83 34.76 2jyc s LYS 64 CO 0.40 0.05 1.86 -1.54 -0.76 0.00 0.00 175.35 175.36 2jyc s SER 65 N -3.46 6.38 0.00 2.83 1.04 -1.26 -1.16 113.70 118.07 2jyc s SER 65 Ca 0.30 2.30 0.00 0.00 0.48 0.00 0.00 55.95 59.03 2jyc s SER 65 Cb 0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2jyc s SER 65 CO 0.12 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2jyc n GLY 66 N 4.59 0.79 3.38 7.32 0.00 -0.38 -4.95 105.19 115.94 2jyc n GLY 66 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.43 1.42 -0.04 1.61 2.02 -0.31 -3.47 118.70 119.50 2jyc s GLU 67 Ca 0.00 -1.67 0.07 0.00 0.02 0.00 0.00 54.97 53.39 2jyc s GLU 67 Cb 0.00 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.08 2jyc s GLU 67 CO 0.00 0.13 -0.24 0.54 0.02 0.00 0.00 175.26 175.71 2jyc s VAL 68 N -2.99 1.95 0.01 2.63 0.11 -1.26 -2.13 120.40 118.71 2jyc s VAL 68 Ca 0.25 -1.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.18 2jyc s VAL 68 Cb 0.01 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.18 2jyc s VAL 68 CO 0.09 0.55 0.32 0.00 -3.33 0.00 0.00 175.10 172.73 2jyc s ALA 69 N -0.35 3.78 -0.02 1.54 0.00 0.08 -4.93 121.76 121.87 2jyc s ALA 69 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2jyc s ALA 69 Cb -0.11 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2jyc s ALA 69 CO 0.01 0.58 -0.13 0.08 0.00 0.00 0.00 175.76 176.31 2jyc s VAL 70 N -1.25 1.03 -0.07 0.00 1.01 -1.26 -0.63 120.40 119.24 2jyc s VAL 70 Ca 0.27 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2jyc s VAL 70 Cb -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2jyc s VAL 70 CO 0.15 0.30 -0.05 -0.76 0.00 0.00 0.00 175.10 174.74 2jyc s LEU 71 N -0.15 1.12 -0.35 3.92 1.43 -0.44 -4.96 118.68 119.24 2jyc s LEU 71 Ca 0.02 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 2jyc s LEU 71 Cb -0.07 -0.58 -0.00 0.00 0.03 0.00 0.00 46.19 45.57 2jyc s LEU 71 CO 0.00 -0.10 0.48 -0.75 0.23 0.00 0.00 176.35 176.21 2jyc s LYS 72 N 1.37 3.59 -0.09 1.70 2.20 -1.26 0.67 119.74 127.91 2jyc s LYS 72 Ca -0.03 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.35 2jyc s LYS 72 Cb -0.13 -3.82 0.02 0.00 -1.51 0.00 0.00 37.83 32.39 2jyc s LYS 72 CO -0.03 -0.63 -0.10 1.03 -0.36 0.00 0.00 175.35 175.26 2jyc s ARG 73 N 2.31 1.67 0.00 4.03 1.81 0.83 -4.71 118.95 124.88 2jyc s ARG 73 Ca 0.17 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 2jyc s ARG 73 Cb -0.16 -1.52 0.00 0.00 -0.45 0.00 0.00 34.95 32.82 2jyc s ARG 73 CO 0.13 -0.11 0.00 -0.25 -0.68 0.00 0.00 175.30 174.39 2jyc n ASP 74 N 4.32 0.00 0.00 0.23 8.00 -1.26 -1.21 116.55 126.64 2jyc n ASP 74 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2jyc n ASP 74 Cb 0.51 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 -2.00 1.44 3.81 0.44 0.00 -1.26 -5.08 105.19 102.54 2jyc n GLY 75 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.06 2.90 -0.22 1.61 1.70 -0.35 -5.03 118.95 119.51 2jyc s ARG 76 Ca 0.00 -0.93 -0.15 0.00 -0.47 0.00 0.00 55.73 54.17 2jyc s ARG 76 Cb 0.00 -2.61 -0.04 0.00 -0.57 0.00 0.00 34.95 31.73 2jyc s ARG 76 CO 0.00 0.46 0.38 0.71 -1.08 0.00 0.00 175.30 175.77 2jyc s TYR 77 N -1.88 3.35 -0.24 5.89 2.02 -1.26 -0.12 117.35 125.10 2jyc s TYR 77 Ca 0.32 0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 57.44 2jyc s TYR 77 Cb -0.09 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 2jyc s TYR 77 CO 0.24 -0.04 0.32 0.42 -1.57 0.00 0.00 175.55 174.91 2jyc s ILE 78 N 1.43 5.24 -0.17 2.71 -1.09 0.21 -2.15 121.20 127.39 2jyc s ILE 78 Ca 0.18 0.48 -0.08 0.00 -2.23 0.00 0.00 60.65 59.00 2jyc s ILE 78 Cb -0.15 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2jyc s ILE 78 CO 0.08 0.24 0.09 -0.31 -1.23 0.00 0.00 174.94 173.81 2jyc s TYR 79 N 1.60 3.37 -0.36 3.97 1.51 0.17 -1.33 117.35 126.27 2jyc s TYR 79 Ca 0.14 0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.49 2jyc s TYR 79 Cb -0.15 -2.05 0.10 0.00 -0.11 0.00 0.00 41.96 39.76 2jyc s TYR 79 CO 0.08 0.35 0.08 0.71 -1.11 0.00 0.00 175.55 175.66 2jyc s TYR 80 N -0.04 3.50 -0.19 2.71 2.02 0.20 -0.52 117.35 125.02 2jyc s TYR 80 Ca 0.08 -2.90 -0.29 0.00 -0.37 0.00 0.00 57.07 53.59 2jyc s TYR 80 Cb -0.12 -2.79 -0.01 0.00 -0.40 0.00 0.00 41.96 38.64 2jyc s TYR 80 CO 0.00 -0.92 1.22 -0.51 -1.57 0.00 0.00 175.55 173.77 2jyc s LEU 81 N 0.84 4.15 -0.50 -1.29 1.43 0.90 -0.74 118.68 123.47 2jyc s LEU 81 Ca 0.12 1.60 -0.23 0.00 -1.03 0.00 0.00 54.13 54.59 2jyc s LEU 81 Cb -0.20 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.52 2jyc s LEU 81 CO -0.09 -0.76 0.81 -0.63 0.23 0.00 0.00 176.35 175.92 2jyc s ILE 82 N 3.49 4.59 -0.22 -0.59 -1.09 -0.91 -0.60 121.20 125.87 2jyc s ILE 82 Ca 0.53 0.20 0.05 0.00 -2.23 0.00 0.00 60.65 59.20 2jyc s ILE 82 Cb -0.20 -4.40 -0.06 0.00 -1.58 0.00 0.00 42.46 36.22 2jyc s ILE 82 CO 0.13 -0.88 0.21 0.35 -1.23 0.00 0.00 174.94 173.52 2jyc n THR 83 N 6.06 0.00 -3.91 2.92 -2.24 -1.02 -1.25 114.28 114.85 2jyc n THR 83 Ca 0.00 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 2jyc n THR 83 Cb 0.47 0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 69.51 2jyc n THR 83 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2jyc s LYS 84 N -1.64 0.41 0.02 -0.78 -2.85 -1.23 -4.28 119.74 109.39 2jyc s LYS 84 Ca 0.01 -0.44 0.16 0.00 -1.00 0.00 0.00 55.97 54.71 2jyc s LYS 84 Cb 0.04 0.16 -0.17 0.00 -2.06 0.00 0.00 37.83 35.81 2jyc s LYS 84 CO 0.22 -0.09 0.73 1.17 0.10 0.00 0.00 175.35 177.49 2jyc n LYS 85 N 1.58 0.63 -4.29 1.78 4.81 -1.26 -0.49 118.16 120.92 2jyc n LYS 85 Ca -0.23 0.20 -0.16 0.00 -0.87 0.00 0.00 58.31 57.26 2jyc n LYS 85 Cb 0.56 -1.77 -0.10 0.00 0.02 0.00 0.00 35.03 33.73 2jyc n LYS 85 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2jyc s ARG 86 N -2.86 1.20 0.39 1.64 1.81 -1.26 -3.62 118.95 116.25 2jyc s ARG 86 Ca -0.04 -1.57 0.12 0.00 -1.72 0.00 0.00 55.73 52.53 2jyc s ARG 86 Cb 0.09 -0.61 0.79 0.00 -0.45 0.00 0.00 34.95 34.77 2jyc s ARG 86 CO 0.82 -0.02 1.88 0.00 -0.68 0.00 0.00 175.30 177.30 2jyc h ALA 87 N 2.62 1.48 -0.00 2.13 0.00 -1.93 -1.63 119.26 121.93 2jyc h ALA 87 Ca -0.37 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jyc h ALA 87 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jyc h ALA 87 CO 0.64 0.38 -0.06 0.45 0.00 0.00 0.00 179.25 180.67 2jyc n SER 88 N -4.19 0.41 -4.77 0.00 2.88 -1.26 -4.88 113.62 101.81 2jyc n SER 88 Ca -0.02 -0.73 -0.37 0.00 -1.33 0.00 0.00 58.87 56.42 2jyc n SER 88 Cb 0.34 -0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 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 -2.32 3.18 0.12 0.66 3.76 -0.61 -5.01 115.29 115.07 2jyc s HIS 89 Ca 0.35 1.61 -0.24 0.00 -0.15 0.00 0.00 55.06 56.62 2jyc s HIS 89 Cb 0.21 -3.25 -0.07 0.00 1.11 0.00 0.00 32.58 30.57 2jyc s HIS 89 CO 0.43 -0.95 0.74 -1.59 -0.85 0.00 0.00 174.74 172.53 2jyc s LYS 90 N -2.38 4.50 0.17 1.40 -2.85 -1.26 -4.84 119.74 114.47 2jyc s LYS 90 Ca 0.57 1.07 -0.27 0.00 -1.00 0.00 0.00 55.97 56.34 2jyc s LYS 90 Cb -0.26 -3.29 -0.08 0.00 -2.06 0.00 0.00 37.83 32.14 2jyc s LYS 90 CO 0.33 0.49 0.84 -1.25 0.10 0.00 0.00 175.35 175.87 2jyc s PRO 91 N -0.81 4.67 0.15 1.78 0.04 -1.26 -4.79 135.00 134.78 2jyc s PRO 91 Ca 0.36 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.71 2jyc s PRO 91 Cb -0.22 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 2jyc s PRO 91 CO 0.24 0.49 0.21 0.95 0.04 0.00 0.00 177.00 178.93 2jyc s THR 92 N -0.93 4.94 0.20 1.26 -4.23 -1.26 -4.91 115.64 110.70 2jyc s THR 92 Ca 0.39 -0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 2jyc s THR 92 Cb -0.24 -3.52 0.13 0.00 1.34 0.00 0.00 72.50 70.20 2jyc s THR 92 CO 0.28 -0.08 1.82 1.88 -0.54 0.00 0.00 174.62 177.98 2jyc h TYR 93 N 2.33 0.94 -0.28 3.99 0.05 -1.97 0.21 116.97 122.24 2jyc h TYR 93 Ca -0.48 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.21 2jyc h TYR 93 Cb 1.19 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 2jyc h TYR 93 CO 0.56 0.66 -0.12 0.93 -1.05 0.00 0.00 178.16 179.13 2jyc h GLU 94 N 0.95 0.58 -0.61 4.88 5.08 -1.97 0.41 114.58 123.90 2jyc h GLU 94 Ca 0.25 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jyc h GLU 94 Cb 0.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2jyc h GLU 94 CO -0.04 0.81 0.14 -0.91 -1.00 0.00 0.00 179.01 178.01 2jyc h ASN 95 N 0.32 0.93 -0.35 1.42 4.21 -1.88 0.22 115.58 120.45 2jyc h ASN 95 Ca 0.06 -0.24 -0.04 0.00 1.21 0.00 0.00 56.30 57.30 2jyc h ASN 95 Cb 0.63 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 2jyc h ASN 95 CO 0.04 0.92 0.07 0.25 -1.29 0.00 0.00 177.43 177.42 2jyc h LEU 96 N 0.89 0.54 -0.78 1.61 5.85 -0.51 -1.92 115.31 120.99 2jyc h LEU 96 Ca 0.19 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2jyc h LEU 96 Cb 0.36 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2jyc h LEU 96 CO 0.00 0.65 0.47 -0.61 -0.34 0.00 0.00 178.44 178.61 2jyc h GLN 97 N 0.41 0.83 -0.35 1.25 4.15 0.25 0.14 115.11 121.79 2jyc h GLN 97 Ca 0.11 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 2jyc h GLN 97 Cb 0.33 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2jyc h GLN 97 CO 0.00 0.55 -0.01 0.87 -1.93 0.00 0.00 178.83 178.32 2jyc h LYS 98 N 0.86 0.56 -0.31 1.69 1.79 -0.43 0.30 116.57 121.03 2jyc h LYS 98 Ca 0.35 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.65 2jyc h LYS 98 Cb 0.18 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2jyc h LYS 98 CO -0.18 0.59 0.02 0.77 -1.08 0.00 0.00 179.45 179.57 2jyc h SER 99 N 0.53 0.52 -0.43 0.86 0.02 -0.34 0.22 113.55 114.93 2jyc h SER 99 Ca 0.11 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2jyc h SER 99 Cb 0.35 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 2jyc h SER 99 CO 0.01 0.68 0.24 -0.07 -1.14 0.00 0.00 176.83 176.56 2jyc h LEU 100 N 0.34 0.39 -0.25 5.07 -0.00 -0.21 1.00 115.31 121.64 2jyc h LEU 100 Ca 0.09 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.00 2jyc h LEU 100 Cb 0.40 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 2jyc h LEU 100 CO 0.01 0.28 0.11 -0.33 -0.00 0.00 0.00 178.44 178.51 2jyc h GLU 101 N 0.49 0.23 -0.21 1.13 5.08 -0.21 0.37 114.58 121.46 2jyc h GLU 101 Ca 0.18 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2jyc h GLU 101 Cb 0.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2jyc h GLU 101 CO -0.09 0.16 0.01 0.00 -1.00 0.00 0.00 179.01 178.08 2jyc h ALA 102 N 1.13 0.19 -0.42 3.43 0.00 -0.73 0.12 119.26 122.98 2jyc h ALA 102 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jyc h ALA 102 Cb 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jyc h ALA 102 CO -0.08 -0.42 0.22 1.98 0.00 0.00 0.00 179.25 180.95 2jyc h MET 103 N 0.08 0.59 -0.01 0.00 1.85 -0.31 -1.34 114.93 115.79 2jyc h MET 103 Ca 0.10 -0.07 -0.13 0.00 -0.61 0.00 0.00 59.70 58.99 2jyc h MET 103 Cb 0.12 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.02 2jyc h MET 103 CO -0.16 0.48 -0.61 1.57 -0.40 0.00 0.00 176.91 177.79 2jyc h LYS 104 N 0.54 0.03 -0.41 0.39 5.09 -0.05 -1.10 116.57 121.06 2jyc h LYS 104 Ca 0.15 -0.02 -0.10 0.00 0.09 0.00 0.00 60.65 60.76 2jyc h LYS 104 Cb 0.07 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.39 2jyc h LYS 104 CO -0.02 0.63 -0.17 1.03 -2.09 0.00 0.00 179.45 178.83 2jyc h SER 105 N 0.02 0.78 -0.31 7.07 0.87 -0.53 -3.03 113.55 118.43 2jyc h SER 105 Ca -0.01 -0.26 -0.18 0.00 -1.23 0.00 0.00 61.79 60.11 2jyc h SER 105 Cb 1.09 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2jyc h SER 105 CO 0.08 0.95 -0.52 -0.74 -0.53 0.00 0.00 176.83 176.07 2jyc h HIS 106 N 0.69 1.12 -0.29 2.24 -0.00 -0.86 -3.09 115.15 114.95 2jyc h HIS 106 Ca 0.11 -0.39 -0.01 0.00 -0.00 0.00 0.00 60.37 60.08 2jyc h HIS 106 Cb 0.67 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.85 2jyc h HIS 106 CO 0.03 1.22 0.14 0.00 -0.00 0.00 0.00 177.93 179.32 2jyc h LEU 108 N 0.41 0.85 -0.85 0.00 3.38 -1.45 0.35 115.31 118.00 2jyc h LEU 108 Ca 0.10 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2jyc h LEU 108 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2jyc h LEU 108 CO -0.01 0.83 -0.45 0.11 0.09 0.00 0.00 178.44 179.01 2jyc h LYS 109 N 0.83 0.00 0.00 1.13 1.57 -1.26 -3.17 116.57 115.67 2jyc h LYS 109 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2jyc h LYS 109 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2jyc h LYS 109 CO -0.01 0.45 -1.80 0.09 -0.57 0.00 0.00 179.45 177.62 2jyc n ASN 110 N -3.59 0.33 -0.75 0.86 5.03 -0.86 -5.00 115.26 111.28 2jyc n ASN 110 Ca -0.00 -0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.29 2jyc n ASN 110 Cb 0.55 1.80 0.00 0.00 -1.02 0.00 0.00 39.78 41.11 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 1.34 0.69 3.57 7.41 0.00 1.00 -5.05 105.19 114.15 2jyc n GLY 111 Ca -0.03 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.98 4.72 -0.02 1.61 1.01 0.19 -4.94 120.40 119.98 2jyc s VAL 112 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2jyc s VAL 112 Cb 0.00 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.27 2jyc s VAL 112 CO 0.00 0.39 0.87 0.35 0.00 0.00 0.00 175.10 176.71 2jyc n THR 113 N 4.16 0.59 -3.78 3.92 -2.24 -1.26 -4.64 114.28 111.04 2jyc n THR 113 Ca -0.16 -0.66 -0.21 0.00 -2.27 0.00 0.00 64.05 60.75 2jyc n THR 113 Cb 0.52 0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.04 1.18 -0.01 3.42 1.11 -1.26 0.48 116.67 120.55 2jyc s ASP 114 Ca 0.06 -0.02 -0.00 0.00 0.18 0.00 0.00 52.55 52.77 2jyc s ASP 114 Cb 0.05 -0.30 0.01 0.00 1.07 0.00 0.00 42.92 43.76 2jyc s ASP 114 CO 0.01 -0.19 0.02 -0.76 1.18 0.00 0.00 175.17 175.43 2jyc s LEU 115 N 1.81 1.67 0.03 1.23 1.43 0.33 -0.59 118.68 124.59 2jyc s LEU 115 Ca 0.01 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2jyc s LEU 115 Cb -0.12 0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.09 2jyc s LEU 115 CO -0.04 -0.04 -0.19 -0.55 0.23 0.00 0.00 176.35 175.76 2jyc s SER 116 N 0.34 2.31 -0.05 2.29 0.15 0.11 -1.14 113.70 117.71 2jyc s SER 116 Ca -0.03 -0.47 -0.17 0.00 0.70 0.00 0.00 55.95 55.98 2jyc s SER 116 Cb -0.04 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2jyc s SER 116 CO -0.01 0.16 0.39 0.00 1.20 0.00 0.00 173.24 174.98 2jyc s MET 117 N -1.00 0.69 0.63 5.44 0.23 -0.75 -2.74 119.30 121.80 2jyc s MET 117 Ca 0.07 0.04 -0.08 0.00 -1.03 0.00 0.00 55.69 54.68 2jyc s MET 117 Cb -0.08 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 2jyc s MET 117 CO 0.01 -0.18 0.98 -1.25 -2.03 0.00 0.00 175.02 172.55 2jyc s PRO 118 N -0.98 3.01 -0.79 3.16 0.04 -1.26 -0.70 135.00 137.48 2jyc s PRO 118 Ca -0.10 0.26 -0.23 0.00 0.04 0.00 0.00 61.00 60.97 2jyc s PRO 118 Cb -0.04 -2.17 -0.18 0.00 0.04 0.00 0.00 34.50 32.16 2jyc s PRO 118 CO 0.04 -0.78 2.40 -2.13 0.04 0.00 0.00 177.00 176.57 2jyc n ARG 119 N -2.74 0.48 -0.18 4.56 0.63 -0.77 -4.68 116.66 113.96 2jyc n ARG 119 Ca 0.05 -0.35 0.07 0.00 -0.92 0.00 0.00 57.85 56.69 2jyc n ARG 119 Cb 0.57 -2.77 0.19 0.00 0.45 0.00 0.00 32.46 30.90 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 7.72 0.48 -0.79 5.15 -5.35 -1.26 -4.23 119.36 121.08 2jyc n ILE 120 Ca 0.52 -0.50 -0.09 0.00 -0.27 0.00 0.00 62.75 62.41 2jyc n ILE 120 Cb 0.34 0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 38.48 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 1.12 3.09 2.97 3.28 0.00 -1.26 -4.73 105.19 109.65 2jyc n GLY 121 Ca 0.13 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 4.70 1.26 0.05 0.00 0.00 -1.26 -4.98 105.19 104.95 2jyc n GLY 123 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2jyc n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jyc n LEU 124 N 0.00 1.16 0.00 0.99 4.32 -1.26 -4.68 117.00 117.53 2jyc n LEU 124 Ca 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 2jyc n LEU 124 Cb 0.00 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.07 2jyc n LEU 124 CO 0.00 -0.47 0.00 -0.67 -1.22 0.00 0.00 177.39 175.03 2jyc n ASP 125 N -3.75 0.00 0.16 -1.43 2.03 -1.26 -4.15 116.55 108.14 2jyc n ASP 125 Ca -0.05 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.39 2jyc n ASP 125 Cb 0.19 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.03 2jyc n ASP 125 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2jyc h ARG 126 N 0.00 0.00 -5.17 -0.67 -0.00 -1.96 -3.44 114.38 103.15 2jyc h ARG 126 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.98 59.11 2jyc h ARG 126 Cb 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 29.97 29.78 2jyc h ARG 126 CO 0.00 0.00 -0.75 -0.48 0.00 0.00 0.00 179.97 178.74 2jyc s LEU 127 N -5.05 2.37 -0.14 3.04 2.34 -1.26 -5.14 118.68 114.84 2jyc s LEU 127 Ca 0.06 -0.75 -0.09 0.00 0.06 0.00 0.00 54.13 53.42 2jyc s LEU 127 Cb 0.10 -0.42 -0.04 0.00 -0.56 0.00 0.00 46.19 45.26 2jyc s LEU 127 CO 0.53 -0.18 0.16 -1.10 -1.06 0.00 0.00 176.35 174.70 2jyc s GLN 128 N -2.45 3.71 0.54 1.48 -1.52 -1.26 -4.82 119.66 115.35 2jyc s GLN 128 Ca 0.04 -0.11 0.23 0.00 -1.95 0.00 0.00 55.36 53.56 2jyc s GLN 128 Cb -0.05 -3.27 1.42 0.00 -0.22 0.00 0.00 33.01 30.89 2jyc s GLN 128 CO 0.01 0.62 2.09 2.35 -0.25 0.00 0.00 175.29 180.12 2jyc h TRP 129 N 5.50 0.00 -0.71 0.91 2.91 -1.99 -1.34 115.95 121.23 2jyc h TRP 129 Ca -0.50 0.00 0.12 0.00 1.13 0.00 0.00 58.89 59.63 2jyc h TRP 129 Cb 1.20 0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 29.77 2jyc h TRP 129 CO 0.70 0.00 0.31 1.49 -1.03 0.00 0.00 178.44 179.91 2jyc h GLU 130 N 0.00 0.48 0.13 2.65 4.81 -1.99 0.26 114.58 120.92 2jyc h GLU 130 Ca 0.11 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.02 2jyc h GLU 130 Cb 0.45 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.74 2jyc h GLU 130 CO -0.00 0.32 -1.24 -0.91 -0.73 0.00 0.00 179.01 176.45 2jyc h ASN 131 N 0.49 0.62 0.35 1.04 2.35 -1.68 -3.28 115.58 115.46 2jyc h ASN 131 Ca 0.37 -0.61 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 2jyc h ASN 131 Cb 0.49 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2jyc h ASN 131 CO -0.34 1.45 -0.25 0.58 -1.65 0.00 0.00 177.43 177.22 2jyc h VAL 132 N 0.16 0.47 -0.95 2.81 2.07 -0.77 -2.25 116.25 117.78 2jyc h VAL 132 Ca -0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.48 2jyc h VAL 132 Cb 1.93 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 2jyc h VAL 132 CO 0.22 0.00 0.58 0.77 0.02 0.00 0.00 177.57 179.16 2jyc h SER 133 N -0.59 0.83 0.04 0.57 4.64 -0.65 -0.02 113.55 118.36 2jyc h SER 133 Ca -0.03 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jyc h SER 133 Cb 0.51 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2jyc h SER 133 CO 0.00 0.43 -0.02 0.00 -0.87 0.00 0.00 176.83 176.38 2jyc h ALA 134 N 1.53 -0.05 -0.91 5.18 0.00 -1.57 -1.93 119.26 121.50 2jyc h ALA 134 Ca 0.48 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.36 2jyc h ALA 134 Cb 0.50 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2jyc h ALA 134 CO -0.28 -0.49 0.60 1.98 0.00 0.00 0.00 179.25 181.06 2jyc h MET 135 N -0.13 1.14 -0.59 0.00 -1.53 -0.73 -1.43 114.93 111.67 2jyc h MET 135 Ca -0.01 -0.07 0.02 0.00 -3.44 0.00 0.00 59.70 56.21 2jyc h MET 135 Cb 0.11 -0.26 -0.04 0.00 -0.55 0.00 0.00 31.60 30.87 2jyc h MET 135 CO 0.01 0.76 0.37 0.82 0.14 0.00 0.00 176.91 179.00 2jyc h ILE 136 N 1.18 1.08 -0.04 1.77 2.04 -0.72 -0.98 117.51 121.85 2jyc h ILE 136 Ca 0.35 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 2jyc h ILE 136 Cb -0.04 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 2jyc h ILE 136 CO -0.10 0.13 -0.36 -0.33 0.00 0.00 0.00 178.15 177.50 2jyc h GLU 137 N 0.73 0.07 -0.14 2.37 5.08 -0.56 -1.52 114.58 120.61 2jyc h GLU 137 Ca 0.23 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2jyc h GLU 137 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jyc h GLU 137 CO -0.09 0.42 -0.00 0.93 -1.00 0.00 0.00 179.01 179.27 2jyc h GLU 138 N 0.06 0.24 -0.49 2.33 5.08 -0.43 -1.96 114.58 119.41 2jyc h GLU 138 Ca 0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2jyc h GLU 138 Cb 0.67 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2jyc h GLU 138 CO 0.05 0.48 0.27 0.28 -1.00 0.00 0.00 179.01 179.09 2jyc h VAL 139 N -0.02 1.17 0.00 3.13 2.07 -0.97 -2.33 116.25 119.29 2jyc h VAL 139 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2jyc h VAL 139 Cb 0.37 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2jyc h VAL 139 CO 0.01 0.18 0.00 0.49 0.02 0.00 0.00 177.57 178.27 2jyc n PHE 140 N -4.66 0.84 0.16 1.57 3.72 -0.59 -3.21 117.46 115.29 2jyc n PHE 140 Ca 0.02 0.35 0.14 0.00 -0.05 0.00 0.00 57.45 57.91 2jyc n PHE 140 Cb 0.08 -1.07 0.69 0.00 -0.94 0.00 0.00 39.48 38.24 2jyc n PHE 140 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2jyc h GLU 141 N 0.00 0.00 -0.18 -1.08 4.81 -0.76 0.23 114.58 117.59 2jyc h GLU 141 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jyc h GLU 141 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2jyc h GLU 141 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2jyc n ALA 142 N -2.55 2.51 -3.04 2.92 0.00 -1.20 -4.88 120.51 114.28 2jyc n ALA 142 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2jyc n ALA 142 Cb 0.31 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.33 0.00 -3.39 0.00 -2.24 0.07 -5.14 114.28 103.91 2jyc n THR 143 Ca 0.16 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.75 2jyc n THR 143 Cb 0.32 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.47 2jyc n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jyc s ASP 144 N -0.64 1.56 -0.03 3.42 2.15 -1.26 -4.95 116.67 116.92 2jyc s ASP 144 Ca 0.00 -1.46 0.07 0.00 0.43 0.00 0.00 52.55 51.59 2jyc s ASP 144 Cb 0.00 0.41 -0.02 0.00 -0.30 0.00 0.00 42.92 43.01 2jyc s ASP 144 CO 0.00 -0.30 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.83 2jyc s ILE 145 N 1.62 1.91 -0.29 4.11 1.01 -1.26 -4.30 121.20 124.00 2jyc s ILE 145 Ca 0.15 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 2jyc s ILE 145 Cb -0.16 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 2jyc s ILE 145 CO -0.11 0.54 0.60 -0.54 0.00 0.00 0.00 174.94 175.43 2jyc s LYS 146 N -0.43 3.94 -0.22 2.79 -0.14 0.18 -4.78 119.74 121.08 2jyc s LYS 146 Ca 0.05 0.31 -0.03 0.00 -1.36 0.00 0.00 55.97 54.95 2jyc s LYS 146 Cb -0.11 -3.71 0.00 0.00 -1.68 0.00 0.00 37.83 32.34 2jyc s LYS 146 CO 0.00 -0.51 -0.08 0.42 -0.76 0.00 0.00 175.35 174.43 2jyc s ILE 147 N 2.52 3.02 -0.23 2.17 1.01 -0.42 -0.51 121.20 128.76 2jyc s ILE 147 Ca 0.24 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 2jyc s ILE 147 Cb -0.15 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.94 2jyc s ILE 147 CO 0.11 0.40 -0.05 -0.89 0.00 0.00 0.00 174.94 174.51 2jyc s THR 148 N 1.41 3.12 -0.27 2.92 2.01 -0.29 -0.62 115.64 123.93 2jyc s THR 148 Ca 0.05 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 2jyc s THR 148 Cb -0.14 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 2jyc s THR 148 CO -0.05 0.32 0.18 -0.69 -0.69 0.00 0.00 174.62 173.68 2jyc s VAL 149 N 1.41 5.25 -0.29 3.82 1.01 0.16 -1.81 120.40 129.95 2jyc s VAL 149 Ca 0.03 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 2jyc s VAL 149 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2jyc s VAL 149 CO -0.04 0.27 0.37 -0.31 0.00 0.00 0.00 175.10 175.39 2jyc s TYR 150 N 1.66 3.23 -0.00 5.22 2.02 0.12 -0.89 117.35 128.72 2jyc s TYR 150 Ca 0.07 0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.91 2jyc s TYR 150 Cb -0.16 -2.60 -0.06 0.00 -0.40 0.00 0.00 41.96 38.75 2jyc s TYR 150 CO 0.10 -0.28 0.45 0.95 -1.57 0.00 0.00 175.55 175.20 2jyc s THR 151 N 2.06 4.99 0.00 -0.71 -4.23 -0.22 -1.84 115.64 115.70 2jyc s THR 151 Ca 0.14 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 2jyc s THR 151 Cb -0.16 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2jyc s THR 151 CO 0.11 0.54 0.00 -0.11 -0.54 0.00 0.00 174.62 174.61