#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyc n ALA 2 N 0.00 3.01 -2.16 -1.84 0.00 -1.26 -5.04 120.51 113.22 2jyc n ALA 2 Ca 0.00 -1.59 -0.35 0.00 0.00 0.00 0.00 53.44 51.51 2jyc n ALA 2 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 2jyc n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jyc n SER 3 N -0.00 3.68 -2.84 0.00 3.41 -1.26 -4.57 113.62 112.03 2jyc n SER 3 Ca -0.10 -2.77 -0.01 0.00 -0.26 0.00 0.00 58.87 55.72 2jyc n SER 3 Cb 0.91 -1.70 0.01 0.00 -0.26 0.00 0.00 64.21 63.17 2jyc n SER 3 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jyc s SER 4 N 5.52 -0.91 -0.28 4.04 1.04 -1.26 -5.12 113.70 116.73 2jyc s SER 4 Ca 0.62 -0.80 -0.00 0.00 0.48 0.00 0.00 55.95 56.25 2jyc s SER 4 Cb 0.02 1.18 0.08 0.00 0.10 0.00 0.00 66.02 67.41 2jyc s SER 4 CO 0.11 -0.06 0.04 -0.76 0.98 0.00 0.00 173.24 173.55 2jyc s LEU 5 N 1.36 2.52 0.24 2.42 1.43 -1.26 -4.96 118.68 120.43 2jyc s LEU 5 Ca 0.22 -1.47 0.22 0.00 -1.03 0.00 0.00 54.13 52.07 2jyc s LEU 5 Cb 0.03 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.29 2jyc s LEU 5 CO -0.09 -0.35 1.13 -1.13 0.23 0.00 0.00 176.35 176.14 2jyc h ASN 6 N 8.01 0.00 -3.57 2.29 -1.24 -1.99 -3.45 115.58 115.62 2jyc h ASN 6 Ca -0.14 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.36 2jyc h ASN 6 Cb 1.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.10 2jyc h ASN 6 CO 0.44 0.02 0.46 -1.61 -1.29 0.00 0.00 177.43 175.45 2jyc s GLU 7 N -3.33 4.61 0.13 6.67 2.02 -1.26 -5.04 118.70 122.49 2jyc s GLU 7 Ca 0.01 1.69 0.10 0.00 0.02 0.00 0.00 54.97 56.79 2jyc s GLU 7 Cb 0.09 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 2jyc s GLU 7 CO 0.77 0.09 -0.23 0.16 0.02 0.00 0.00 175.26 176.08 2jyc s ASP 8 N -0.12 3.57 0.38 -0.19 -4.77 -1.26 -5.13 116.67 109.15 2jyc s ASP 8 Ca 0.49 -0.68 -0.13 0.00 -3.30 0.00 0.00 52.55 48.93 2jyc s ASP 8 Cb -0.29 -0.36 -0.08 0.00 -1.09 0.00 0.00 42.92 41.11 2jyc s ASP 8 CO 0.34 0.17 0.77 -2.16 0.70 0.00 0.00 175.17 174.99 2jyc s PRO 9 N -2.16 3.88 0.00 2.11 0.04 -1.26 -5.03 135.00 132.58 2jyc s PRO 9 Ca 0.16 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2jyc s PRO 9 Cb -0.10 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2jyc s PRO 9 CO 0.08 0.03 0.00 -1.91 0.04 0.00 0.00 177.00 175.24 2jyc n GLU 10 N -0.93 0.00 0.00 4.56 4.07 -1.26 -5.13 120.64 121.94 2jyc n GLU 10 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2jyc n GLU 10 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 2jyc n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jyc n GLY 11 N 0.00 1.88 0.00 8.31 0.00 -1.26 -4.88 105.19 109.24 2jyc n GLY 11 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.00 0.01 1.61 2.88 -1.26 -4.88 113.62 111.98 2jyc n SER 12 Ca 0.00 0.35 -0.01 0.00 -1.33 0.00 0.00 58.87 57.88 2jyc n SER 12 Cb 0.00 -0.23 -0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 -1.19 0.03 -3.17 -1.46 5.12 -1.26 -4.92 116.66 109.80 2jyc n ARG 13 Ca 0.00 0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.54 2jyc n ARG 13 Cb 0.00 -0.54 -0.06 0.00 -1.16 0.00 0.00 32.46 30.70 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 -2.03 4.61 -0.01 0.55 1.01 -1.25 -0.58 121.20 123.51 2jyc s ILE 14 Ca -0.02 1.37 0.01 0.00 0.00 0.00 0.00 60.65 62.01 2jyc s ILE 14 Cb 0.01 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.51 2jyc s ILE 14 CO 0.02 0.53 -0.03 -0.89 0.00 0.00 0.00 174.94 174.57 2jyc s THR 15 N -1.15 0.27 -0.27 2.92 2.01 -0.77 -4.53 115.64 114.12 2jyc s THR 15 Ca 0.32 -0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.12 2jyc s THR 15 Cb -0.20 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 2jyc s THR 15 CO 0.21 0.10 0.18 -0.31 -0.69 0.00 0.00 174.62 174.11 2jyc s TYR 16 N 0.21 3.23 0.01 4.92 2.02 -1.26 -0.54 117.35 125.93 2jyc s TYR 16 Ca -0.02 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 2jyc s TYR 16 Cb -0.05 -2.35 -0.01 0.00 -0.40 0.00 0.00 41.96 39.16 2jyc s TYR 16 CO -0.00 -0.14 -0.02 0.14 -1.57 0.00 0.00 175.55 173.96 2jyc s VAL 17 N 1.63 0.08 0.20 0.71 -7.23 -0.12 -5.00 120.40 110.68 2jyc s VAL 17 Ca 0.07 -0.33 -0.27 0.00 -1.81 0.00 0.00 61.98 59.64 2jyc s VAL 17 Cb -0.16 -0.13 -0.08 0.00 0.56 0.00 0.00 36.38 36.57 2jyc s VAL 17 CO 0.09 -0.16 0.84 -1.59 -0.31 0.00 0.00 175.10 173.97 2jyc s LYS 18 N -0.52 4.64 0.00 4.82 -2.85 -1.26 0.24 119.74 124.82 2jyc s LYS 18 Ca -0.05 1.26 0.00 0.00 -1.00 0.00 0.00 55.97 56.18 2jyc s LYS 18 Cb -0.04 -3.22 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 2jyc s LYS 18 CO -0.00 0.53 0.00 0.41 0.10 0.00 0.00 175.35 176.38 2jyc n GLY 19 N 1.44 -1.12 3.30 0.59 0.00 -1.16 -4.77 105.19 103.47 2jyc n GLY 19 Ca -0.04 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 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 3.48 0.57 1.61 -1.08 -1.26 -4.39 116.67 111.60 2jyc s ASP 20 Ca 0.00 -0.45 0.33 0.00 -0.52 0.00 0.00 52.55 51.92 2jyc s ASP 20 Cb 0.00 -1.36 1.72 0.00 -1.46 0.00 0.00 42.92 41.82 2jyc s ASP 20 CO 0.00 0.19 2.15 -0.07 0.52 0.00 0.00 175.17 177.96 2jyc h LEU 21 N 6.52 0.00 -0.07 -1.34 3.38 -1.96 -1.14 115.31 120.70 2jyc h LEU 21 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2jyc h LEU 21 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jyc h LEU 21 CO 0.50 0.06 -0.21 0.49 0.09 0.00 0.00 178.44 179.37 2jyc n PHE 22 N -3.40 0.00 1.21 1.13 3.72 -1.26 -3.01 117.46 115.85 2jyc n PHE 22 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 2jyc n PHE 22 Cb 0.20 -0.32 0.31 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.33 3.13 -1.65 4.37 0.00 -0.44 -4.86 120.51 119.73 2jyc n ALA 23 Ca 0.09 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 2jyc n ALA 23 Cb 0.32 -1.07 0.02 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 -2.48 1.12 0.24 0.00 -0.02 -1.26 -4.90 135.00 127.68 2jyc n PRO 25 Ca 0.08 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.15 2jyc n PRO 25 Cb 0.53 -2.51 0.49 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.55 0.00 0.00 -0.52 6.56 -1.97 -2.17 116.57 119.02 2jyc h LYS 26 Ca -0.51 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 2jyc h LYS 26 Cb 1.34 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.00 2jyc h LYS 26 CO 0.53 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.92 2jyc h THR 27 N 0.00 0.00 -3.69 -0.16 1.03 -1.92 -3.37 112.91 104.80 2jyc h THR 27 Ca 0.00 -0.44 -0.66 0.00 -0.01 0.00 0.00 66.41 65.31 2jyc h THR 27 Cb 0.66 1.34 -0.17 0.00 -1.07 0.00 0.00 68.15 68.92 2jyc h THR 27 CO 0.00 0.00 -0.29 -1.81 -0.01 0.00 0.00 175.52 173.41 2jyc s ASP 28 N -4.64 6.18 0.78 0.00 1.11 -0.82 -4.37 116.67 114.91 2jyc s ASP 28 Ca 0.07 -0.14 -0.12 0.00 0.18 0.00 0.00 52.55 52.55 2jyc s ASP 28 Cb 0.10 -2.20 0.06 0.00 1.07 0.00 0.00 42.92 41.96 2jyc s ASP 28 CO 0.53 -0.30 1.10 -0.44 1.18 0.00 0.00 175.17 177.24 2jyc s SER 29 N 1.72 4.67 -0.01 0.27 0.01 0.11 -4.72 113.70 115.75 2jyc s SER 29 Ca 0.12 1.23 0.07 0.00 1.31 0.00 0.00 55.95 58.68 2jyc s SER 29 Cb -0.16 -1.96 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 2jyc s SER 29 CO 0.11 -1.85 -0.23 -0.22 0.41 0.00 0.00 173.24 171.47 2jyc s LEU 30 N -5.68 2.05 0.04 2.44 0.20 0.27 0.44 118.68 118.44 2jyc s LEU 30 Ca 0.60 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 55.02 2jyc s LEU 30 Cb -0.13 -1.17 -0.03 0.00 -0.43 0.00 0.00 46.19 44.43 2jyc s LEU 30 CO 0.53 0.28 -0.07 0.00 -0.29 0.00 0.00 176.35 176.80 2jyc s ALA 31 N -0.55 0.53 0.08 5.97 0.00 0.53 0.67 121.76 128.99 2jyc s ALA 31 Ca 0.09 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 2jyc s ALA 31 Cb -0.09 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.20 2jyc s ALA 31 CO -0.01 -0.09 1.05 -3.38 0.00 0.00 0.00 175.76 173.34 2jyc s HIS 32 N -1.76 -0.12 -0.07 0.00 -3.43 -0.25 -4.12 115.29 105.53 2jyc s HIS 32 Ca -0.08 -0.11 -0.05 0.00 -0.80 0.00 0.00 55.06 54.03 2jyc s HIS 32 Cb -0.08 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.64 2jyc s HIS 32 CO -0.01 -0.64 0.15 0.00 -2.00 0.00 0.00 174.74 172.24 2jyc s ILE 34 N -1.15 0.00 -0.01 0.00 -4.36 0.11 -4.86 121.20 110.94 2jyc s ILE 34 Ca 0.20 -1.76 -0.08 0.00 -0.26 0.00 0.00 60.65 58.75 2jyc s ILE 34 Cb -0.12 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.14 2jyc s ILE 34 CO 0.10 0.00 0.27 -0.94 0.24 0.00 0.00 174.94 174.62 2jyc s SER 35 N -3.12 6.53 0.56 4.36 1.04 -1.26 -1.97 113.70 119.83 2jyc s SER 35 Ca 0.33 0.61 0.24 0.00 0.48 0.00 0.00 55.95 57.61 2jyc s SER 35 Cb 0.04 -2.11 1.58 0.00 0.10 0.00 0.00 66.02 65.63 2jyc s SER 35 CO 0.12 0.28 2.20 1.05 0.98 0.00 0.00 173.24 177.87 2jyc h GLU 36 N 4.20 0.00 -0.02 4.02 4.11 -1.14 -0.14 114.58 125.61 2jyc h GLU 36 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2jyc h GLU 36 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2jyc h GLU 36 CO 0.64 0.02 0.00 -3.47 0.07 0.00 0.00 179.01 176.27 2jyc n ASP 37 N -4.07 0.91 -2.20 3.06 2.03 -0.88 -4.88 116.55 110.51 2jyc n ASP 37 Ca -0.03 -1.34 -0.20 0.00 0.52 0.00 0.00 54.79 53.74 2jyc n ASP 37 Cb 0.10 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.71 0.00 0.00 2.47 -1.85 -3.44 114.38 112.27 2jyc h ARG 39 Ca -0.47 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 2jyc h ARG 39 Cb 1.35 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2jyc h ARG 39 CO 0.57 0.66 0.00 -0.12 0.56 0.00 0.00 179.97 181.64 2jyc n MET 40 N -4.56 0.00 0.00 0.04 0.00 -1.26 -4.78 117.12 106.56 2jyc n MET 40 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.71 2jyc n MET 40 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.39 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 1.45 3.52 -5.12 0.00 -1.26 -4.84 105.19 98.95 2jyc n GLY 41 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.34 0.12 0.00 4.61 0.00 -1.26 -4.99 121.76 119.90 2jyc s ALA 42 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2jyc s ALA 42 Cb 0.00 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.24 2jyc s ALA 42 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2jyc n GLY 43 N -0.40 0.71 0.18 0.00 0.00 -1.26 -4.42 105.19 99.99 2jyc n GLY 43 Ca -0.01 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.18 -0.61 2.10 -1.98 -2.81 117.51 114.03 2jyc h ILE 44 Ca 0.00 -0.33 0.05 0.00 1.08 0.00 0.00 64.86 65.66 2jyc h ILE 44 Cb 0.00 1.16 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 2jyc h ILE 44 CO 0.00 0.00 0.13 0.00 -1.08 0.00 0.00 178.15 177.20 2jyc h ALA 45 N 2.18 2.16 -0.46 0.18 0.00 -1.90 -0.84 119.26 120.58 2jyc h ALA 45 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jyc h ALA 45 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jyc h ALA 45 CO 0.00 -0.23 0.30 0.28 0.00 0.00 0.00 179.25 179.61 2jyc h VAL 46 N 0.00 1.10 -0.33 0.00 2.07 -1.71 0.12 116.25 117.51 2jyc h VAL 46 Ca 0.09 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2jyc h VAL 46 Cb 0.35 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2jyc h VAL 46 CO -0.00 0.11 0.05 -0.07 0.02 0.00 0.00 177.57 177.68 2jyc h LEU 47 N 0.60 0.52 -0.79 2.57 3.38 -1.37 -1.67 115.31 118.55 2jyc h LEU 47 Ca 0.17 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2jyc h LEU 47 Cb -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2jyc h LEU 47 CO -0.04 0.65 -0.16 -0.26 0.09 0.00 0.00 178.44 178.72 2jyc h PHE 48 N 0.37 0.82 -0.07 1.13 -1.00 -1.25 0.17 116.94 117.11 2jyc h PHE 48 Ca 0.10 -0.16 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 2jyc h PHE 48 Cb 0.35 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 2jyc h PHE 48 CO 0.02 0.85 0.04 -0.22 -1.61 0.00 0.00 178.31 177.39 2jyc h LYS 49 N 0.66 0.10 -0.48 1.51 3.11 -0.67 0.36 116.57 121.16 2jyc h LYS 49 Ca 0.10 -0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.80 2jyc h LYS 49 Cb 0.64 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.84 2jyc h LYS 49 CO 0.05 0.18 -0.22 0.87 -2.81 0.00 0.00 179.45 177.51 2jyc h LYS 50 N -0.00 1.00 0.09 1.90 1.57 -1.08 -1.40 116.57 118.66 2jyc h LYS 50 Ca 0.02 -0.43 -0.17 0.00 -1.87 0.00 0.00 60.65 58.20 2jyc h LYS 50 Cb 0.11 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.41 2jyc h LYS 50 CO -0.00 1.11 -0.73 0.87 -0.57 0.00 0.00 179.45 180.13 2jyc h LYS 51 N 0.86 0.34 0.00 3.15 1.57 -0.46 -3.40 116.57 118.62 2jyc h LYS 51 Ca 0.11 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 2jyc h LYS 51 Cb 0.81 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2jyc h LYS 51 CO 0.07 1.19 -1.30 1.19 -0.57 0.00 0.00 179.45 180.03 2jyc n PHE 52 N -4.16 0.00 0.00 -1.35 3.72 0.12 -5.05 117.46 110.74 2jyc n PHE 52 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2jyc n PHE 52 Cb 0.77 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 2jyc n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jyc n GLY 53 N 2.30 2.11 5.00 1.37 0.00 -0.53 -4.98 105.19 110.46 2jyc n GLY 53 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.63 0.25 -0.02 0.00 -1.26 -4.27 105.19 101.52 2jyc n GLY 54 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.42 -0.57 1.61 2.07 -1.93 0.13 116.25 117.98 2jyc h VAL 55 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2jyc h VAL 55 Cb 0.00 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2jyc h VAL 55 CO 0.00 0.00 0.08 1.56 0.02 0.00 0.00 177.57 179.23 2jyc h GLN 56 N -0.14 0.95 -0.16 1.57 7.50 -1.98 0.19 115.11 123.03 2jyc h GLN 56 Ca 0.18 -0.26 -0.13 0.00 0.50 0.00 0.00 58.65 58.95 2jyc h GLN 56 Cb 0.43 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 2jyc h GLN 56 CO -0.46 0.91 -0.45 0.93 -1.50 0.00 0.00 178.83 178.27 2jyc h GLU 57 N 0.84 0.40 -0.12 1.46 5.08 -1.70 0.11 114.58 120.64 2jyc h GLU 57 Ca 0.17 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2jyc h GLU 57 Cb 0.43 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jyc h GLU 57 CO 0.01 0.77 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.37 2jyc h LEU 58 N 0.33 0.53 -0.92 1.33 3.38 -0.51 -2.02 115.31 117.42 2jyc h LEU 58 Ca 0.02 -0.60 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 2jyc h LEU 58 Cb 0.92 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2jyc h LEU 58 CO 0.08 1.03 -0.30 -0.07 0.09 0.00 0.00 178.44 179.26 2jyc h LEU 59 N 0.05 0.43 -1.31 1.67 3.38 -0.50 0.34 115.31 119.37 2jyc h LEU 59 Ca -0.01 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2jyc h LEU 59 Cb 0.97 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2jyc h LEU 59 CO 0.08 0.72 -0.30 0.78 0.09 0.00 0.00 178.44 179.80 2jyc h ASN 60 N 0.37 0.00 1.36 -0.43 2.35 -0.77 -1.92 115.58 116.54 2jyc h ASN 60 Ca 0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2jyc h ASN 60 Cb 0.72 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2jyc h ASN 60 CO 0.06 0.30 -0.35 1.56 -1.65 0.00 0.00 177.43 177.35 2jyc h GLN 61 N 0.00 0.00 -6.74 0.81 4.20 -0.66 -3.48 115.11 109.24 2jyc h GLN 61 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.16 2jyc h GLN 61 Cb 0.66 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.45 2jyc h GLN 61 CO 0.04 0.35 -0.99 0.00 -0.67 0.00 0.00 178.83 177.56 2jyc n GLN 62 N -3.27 -0.60 -3.12 1.46 10.64 0.05 -4.95 117.38 117.59 2jyc n GLN 62 Ca 0.02 0.25 -0.33 0.00 -1.83 0.00 0.00 57.00 55.11 2jyc n GLN 62 Cb 0.61 -2.90 -0.06 0.00 -0.86 0.00 0.00 30.24 27.02 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2jyc s LYS 63 N -6.80 4.02 0.43 2.61 -0.14 -1.25 -5.07 119.74 113.54 2jyc s LYS 63 Ca 0.44 0.70 0.06 0.00 -1.36 0.00 0.00 55.97 55.81 2jyc s LYS 63 Cb -0.22 -2.43 -0.06 0.00 -1.68 0.00 0.00 37.83 33.45 2jyc s LYS 63 CO 0.94 0.15 0.06 0.15 -0.76 0.00 0.00 175.35 175.89 2jyc s LYS 64 N -2.97 2.08 -0.06 1.68 -0.14 -1.26 -4.73 119.74 114.34 2jyc s LYS 64 Ca 0.54 -2.10 -0.34 0.00 -1.36 0.00 0.00 55.97 52.71 2jyc s LYS 64 Cb -0.10 -1.72 -0.12 0.00 -1.68 0.00 0.00 37.83 34.21 2jyc s LYS 64 CO 0.17 -0.14 1.83 -1.13 -0.76 0.00 0.00 175.35 175.32 2jyc n SER 65 N -1.12 3.36 0.00 2.83 3.41 -1.26 -1.01 113.62 119.83 2jyc n SER 65 Ca -0.07 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2jyc n SER 65 Cb 0.66 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 4.25 0.48 3.47 5.00 0.00 -0.47 -5.00 105.19 112.93 2jyc n GLY 66 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.83 1.66 -0.04 1.61 2.02 -0.18 -3.76 118.70 119.18 2jyc s GLU 67 Ca 0.00 -1.81 0.07 0.00 0.02 0.00 0.00 54.97 53.24 2jyc s GLU 67 Cb 0.00 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.70 2jyc s GLU 67 CO 0.00 0.17 -0.24 0.54 0.02 0.00 0.00 175.26 175.75 2jyc s VAL 68 N -2.72 1.96 -0.04 2.63 0.11 -1.26 -2.24 120.40 118.83 2jyc s VAL 68 Ca 0.30 -1.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.26 2jyc s VAL 68 Cb 0.00 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2jyc s VAL 68 CO 0.14 0.55 0.19 0.00 -3.33 0.00 0.00 175.10 172.64 2jyc s ALA 69 N -0.36 3.91 -0.04 1.54 0.00 -0.22 -4.93 121.76 121.66 2jyc s ALA 69 Ca 0.03 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2jyc s ALA 69 Cb -0.11 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2jyc s ALA 69 CO 0.01 0.69 -0.10 0.08 0.00 0.00 0.00 175.76 176.44 2jyc s VAL 70 N -1.22 0.91 -0.10 0.00 1.01 -1.26 -0.29 120.40 119.45 2jyc s VAL 70 Ca 0.23 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2jyc s VAL 70 Cb -0.13 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2jyc s VAL 70 CO 0.13 0.29 -0.19 -0.76 0.00 0.00 0.00 175.10 174.57 2jyc s LEU 71 N 0.43 1.92 -0.21 3.92 1.43 -0.09 -4.92 118.68 121.15 2jyc s LEU 71 Ca -0.08 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 2jyc s LEU 71 Cb -0.12 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2jyc s LEU 71 CO 0.02 0.09 0.67 -0.75 0.23 0.00 0.00 176.35 176.60 2jyc s LYS 72 N 0.62 4.19 -0.14 1.70 2.20 -1.26 0.60 119.74 127.65 2jyc s LYS 72 Ca -0.14 0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 56.12 2jyc s LYS 72 Cb -0.16 -3.60 0.04 0.00 -1.51 0.00 0.00 37.83 32.60 2jyc s LYS 72 CO 0.04 -0.32 0.01 1.03 -0.36 0.00 0.00 175.35 175.75 2jyc s ARG 73 N 2.17 0.76 -1.96 4.03 1.81 0.94 -4.86 118.95 121.85 2jyc s ARG 73 Ca 0.30 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 2jyc s ARG 73 Cb -0.16 -1.64 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 2jyc s ARG 73 CO 0.10 -0.47 0.00 -0.25 -0.68 0.00 0.00 175.30 174.00 2jyc n ASP 74 N 5.07 -5.20 0.00 0.23 8.00 -1.26 -1.11 116.55 122.28 2jyc n ASP 74 Ca -0.09 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.78 2jyc n ASP 74 Cb 0.48 -4.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 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 -0.51 1.20 3.86 0.44 0.00 -1.26 -5.05 105.19 103.87 2jyc n GLY 75 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.04 2.94 -0.17 1.61 1.70 -0.27 -4.94 118.95 119.79 2jyc s ARG 76 Ca 0.00 -1.08 -0.09 0.00 -0.47 0.00 0.00 55.73 54.09 2jyc s ARG 76 Cb 0.00 -2.60 -0.05 0.00 -0.57 0.00 0.00 34.95 31.74 2jyc s ARG 76 CO 0.00 0.29 0.12 0.71 -1.08 0.00 0.00 175.30 175.35 2jyc s TYR 77 N -2.17 3.45 -0.24 5.89 2.02 -1.26 -0.04 117.35 125.00 2jyc s TYR 77 Ca 0.36 0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 57.34 2jyc s TYR 77 Cb -0.08 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 2jyc s TYR 77 CO 0.26 0.42 0.12 0.42 -1.57 0.00 0.00 175.55 175.20 2jyc s ILE 78 N -0.09 4.93 -0.24 2.71 -1.09 0.20 -0.57 121.20 127.06 2jyc s ILE 78 Ca 0.10 0.03 -0.09 0.00 -2.23 0.00 0.00 60.65 58.46 2jyc s ILE 78 Cb -0.11 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2jyc s ILE 78 CO 0.00 0.34 0.12 -0.31 -1.23 0.00 0.00 174.94 173.87 2jyc s TYR 79 N 1.24 3.23 -0.51 3.97 1.51 0.21 -0.92 117.35 126.09 2jyc s TYR 79 Ca 0.06 0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 56.08 2jyc s TYR 79 Cb -0.14 -2.24 0.13 0.00 -0.11 0.00 0.00 41.96 39.60 2jyc s TYR 79 CO 0.05 -0.06 0.35 0.71 -1.11 0.00 0.00 175.55 175.49 2jyc s TYR 80 N 1.18 3.49 -0.21 2.71 1.51 0.60 -1.10 117.35 125.55 2jyc s TYR 80 Ca 0.06 -2.22 -0.29 0.00 -1.01 0.00 0.00 57.07 53.61 2jyc s TYR 80 Cb -0.14 -3.38 -0.01 0.00 -0.11 0.00 0.00 41.96 38.32 2jyc s TYR 80 CO 0.05 -0.96 1.24 -0.51 -1.11 0.00 0.00 175.55 174.26 2jyc s LEU 81 N 0.92 4.10 -0.46 -1.29 1.43 0.61 -1.05 118.68 122.94 2jyc s LEU 81 Ca 0.10 1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 54.50 2jyc s LEU 81 Cb -0.23 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.48 2jyc s LEU 81 CO -0.03 -0.82 0.73 -0.63 0.23 0.00 0.00 176.35 175.83 2jyc s ILE 82 N 3.66 4.71 -0.07 -0.59 -1.09 -0.95 0.09 121.20 126.96 2jyc s ILE 82 Ca 0.53 0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 59.14 2jyc s ILE 82 Cb -0.19 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.36 2jyc s ILE 82 CO 0.15 -0.71 0.25 0.71 -1.23 0.00 0.00 174.94 174.12 2jyc h THR 83 N 5.94 0.00 -3.39 2.92 1.35 -1.71 -1.26 112.91 116.76 2jyc h THR 83 Ca -0.25 -0.76 -0.22 0.00 -0.55 0.00 0.00 66.41 64.63 2jyc h THR 83 Cb 1.09 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.45 2jyc h THR 83 CO 0.94 0.00 -0.18 0.29 -0.25 0.00 0.00 175.52 176.32 2jyc n LYS 84 N -4.67 0.30 0.05 4.72 4.76 -1.26 -4.24 118.16 117.82 2jyc n LYS 84 Ca -0.03 -1.73 -0.02 0.00 -2.87 0.00 0.00 58.31 53.66 2jyc n LYS 84 Cb 0.08 1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 34.79 2jyc n LYS 84 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2jyc h LYS 85 N 0.00 -0.14 -6.70 1.97 1.57 -1.94 -1.18 116.57 110.15 2jyc h LYS 85 Ca -0.14 0.01 -0.49 0.00 -1.87 0.00 0.00 60.65 58.16 2jyc h LYS 85 Cb 0.67 0.03 0.02 0.00 0.08 0.00 0.00 32.23 33.03 2jyc h LYS 85 CO 0.20 -0.10 -0.05 1.03 -0.57 0.00 0.00 179.45 179.96 2jyc s ARG 86 N -2.37 3.53 0.36 3.15 1.81 -1.26 -2.08 118.95 122.09 2jyc s ARG 86 Ca -0.02 -0.05 0.18 0.00 -1.72 0.00 0.00 55.73 54.11 2jyc s ARG 86 Cb 0.00 -2.53 0.61 0.00 -0.45 0.00 0.00 34.95 32.58 2jyc s ARG 86 CO 0.06 0.00 1.70 0.00 -0.68 0.00 0.00 175.30 176.39 2jyc h ALA 87 N 0.64 0.97 0.00 2.13 0.00 -1.89 -2.10 119.26 119.01 2jyc h ALA 87 Ca -0.48 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2jyc h ALA 87 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jyc h ALA 87 CO 0.62 0.51 0.00 0.45 0.00 0.00 0.00 179.25 180.83 2jyc n SER 88 N -3.53 0.00 -4.82 0.00 2.88 -1.26 -4.81 113.62 102.07 2jyc n SER 88 Ca -0.00 -0.78 -0.33 0.00 -1.33 0.00 0.00 58.87 56.43 2jyc n SER 88 Cb 0.53 -0.06 -0.06 0.00 -0.75 0.00 0.00 64.21 63.87 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 -2.12 3.33 -0.25 0.66 3.76 -0.79 -5.03 115.29 114.85 2jyc s HIS 89 Ca 0.42 1.58 -0.15 0.00 -0.15 0.00 0.00 55.06 56.76 2jyc s HIS 89 Cb 0.21 -2.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 2jyc s HIS 89 CO 0.37 -0.15 0.38 0.15 -0.85 0.00 0.00 174.74 174.64 2jyc s LYS 90 N -3.32 4.05 0.39 1.40 3.01 -1.26 -4.94 119.74 119.07 2jyc s LYS 90 Ca 0.61 0.08 -0.26 0.00 -1.01 0.00 0.00 55.97 55.39 2jyc s LYS 90 Cb -0.09 -3.63 -0.09 0.00 -1.01 0.00 0.00 37.83 33.01 2jyc s LYS 90 CO 0.16 -0.22 1.25 -1.25 0.51 0.00 0.00 175.35 175.80 2jyc s PRO 91 N 1.90 4.06 0.25 -1.68 0.04 -1.26 -4.93 135.00 133.38 2jyc s PRO 91 Ca 0.16 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.32 2jyc s PRO 91 Cb -0.15 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 2jyc s PRO 91 CO 0.09 -0.37 0.01 0.95 0.04 0.00 0.00 177.00 177.72 2jyc s THR 92 N -1.30 3.55 0.21 1.26 -4.23 -1.26 -4.91 115.64 108.96 2jyc s THR 92 Ca 0.56 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 59.22 2jyc s THR 92 Cb -0.35 -2.87 0.08 0.00 1.34 0.00 0.00 72.50 70.69 2jyc s THR 92 CO 0.45 -0.31 1.67 1.88 -0.54 0.00 0.00 174.62 177.77 2jyc h TYR 93 N 2.05 1.06 0.08 3.99 0.05 -1.98 0.25 116.97 122.47 2jyc h TYR 93 Ca -0.45 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.15 2jyc h TYR 93 Cb 1.24 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.70 2jyc h TYR 93 CO 0.66 0.96 -0.04 0.93 -1.05 0.00 0.00 178.16 179.62 2jyc h GLU 94 N 0.89 -0.11 -0.65 4.88 5.08 -1.99 0.10 114.58 122.79 2jyc h GLU 94 Ca 0.16 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2jyc h GLU 94 Cb 0.55 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2jyc h GLU 94 CO 0.03 -0.03 0.07 -0.91 -1.00 0.00 0.00 179.01 177.17 2jyc h ASN 95 N -0.16 1.07 0.02 1.42 2.35 -1.87 -2.05 115.58 116.37 2jyc h ASN 95 Ca -0.01 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2jyc h ASN 95 Cb 0.13 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2jyc h ASN 95 CO 0.02 1.08 -0.01 0.25 -1.65 0.00 0.00 177.43 177.12 2jyc h LEU 96 N 1.03 -0.03 -1.79 1.61 5.85 -0.33 -2.80 115.31 118.85 2jyc h LEU 96 Ca 0.19 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2jyc h LEU 96 Cb 0.49 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2jyc h LEU 96 CO 0.02 0.16 -0.12 0.06 -0.34 0.00 0.00 178.44 178.22 2jyc h GLN 97 N -0.21 0.00 -0.25 1.25 3.07 -0.66 -0.85 115.11 117.47 2jyc h GLN 97 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.66 2jyc h GLN 97 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 2jyc h GLN 97 CO 0.00 0.12 -0.19 0.87 0.09 0.00 0.00 178.83 179.73 2jyc h LYS 98 N 0.00 0.44 -0.39 0.06 1.57 -1.19 0.34 116.57 117.39 2jyc h LYS 98 Ca -0.00 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 2jyc h LYS 98 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2jyc h LYS 98 CO 0.02 0.61 -0.33 0.66 -0.57 0.00 0.00 179.45 179.84 2jyc h SER 99 N 0.40 0.92 -0.39 0.86 4.64 -0.91 0.51 113.55 119.58 2jyc h SER 99 Ca 0.07 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2jyc h SER 99 Cb 0.56 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2jyc h SER 99 CO 0.04 1.16 0.22 -0.07 -0.87 0.00 0.00 176.83 177.30 2jyc h LEU 100 N 0.73 0.48 -0.14 5.97 -0.00 -0.99 0.17 115.31 121.54 2jyc h LEU 100 Ca 0.07 -0.08 0.04 0.00 -0.00 0.00 0.00 57.88 57.91 2jyc h LEU 100 Cb 0.89 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.39 2jyc h LEU 100 CO 0.08 0.43 -0.13 -0.33 -0.00 0.00 0.00 178.44 178.49 2jyc h GLU 101 N 0.50 -0.14 -0.48 1.13 4.39 -0.14 0.39 114.58 120.24 2jyc h GLU 101 Ca 0.14 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.88 2jyc h GLU 101 Cb 0.05 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2jyc h GLU 101 CO -0.02 -0.10 0.27 0.00 -1.16 0.00 0.00 179.01 178.00 2jyc h ALA 102 N 0.94 0.61 0.08 3.43 0.00 -0.62 0.42 119.26 124.11 2jyc h ALA 102 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jyc h ALA 102 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jyc h ALA 102 CO -0.23 -0.06 -0.04 1.98 0.00 0.00 0.00 179.25 180.90 2jyc h MET 103 N 0.53 -0.10 -0.50 0.00 1.85 -0.29 -1.58 114.93 114.84 2jyc h MET 103 Ca 0.20 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.27 2jyc h MET 103 Cb 0.06 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 2jyc h MET 103 CO -0.11 0.09 0.20 1.57 -0.40 0.00 0.00 176.91 178.27 2jyc h LYS 104 N -0.28 0.71 -0.45 0.39 5.09 0.04 0.17 116.57 122.24 2jyc h LYS 104 Ca -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 60.65 60.61 2jyc h LYS 104 Cb 0.24 -0.13 -0.02 0.00 0.10 0.00 0.00 32.23 32.42 2jyc h LYS 104 CO 0.02 0.58 0.18 1.03 -2.09 0.00 0.00 179.45 179.17 2jyc h SER 105 N 0.70 0.62 -0.46 7.07 0.87 -0.79 -1.82 113.55 119.73 2jyc h SER 105 Ca 0.17 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2jyc h SER 105 Cb 0.13 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2jyc h SER 105 CO -0.02 0.61 -0.15 -0.74 -0.53 0.00 0.00 176.83 176.00 2jyc h HIS 106 N 0.58 1.05 -0.58 2.24 -0.00 -0.55 -2.41 115.15 115.47 2jyc h HIS 106 Ca 0.15 -0.24 0.02 0.00 -0.00 0.00 0.00 60.37 60.30 2jyc h HIS 106 Cb 0.19 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 2jyc h HIS 106 CO 0.00 1.03 0.39 0.00 -0.00 0.00 0.00 177.93 179.34 2jyc h LEU 108 N 0.72 0.91 -0.63 0.00 3.38 -0.96 0.44 115.31 119.17 2jyc h LEU 108 Ca 0.23 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2jyc h LEU 108 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2jyc h LEU 108 CO -0.06 0.90 -0.51 0.11 0.09 0.00 0.00 178.44 178.97 2jyc h LYS 109 N 0.87 0.46 -0.02 1.13 1.57 -0.75 -3.15 116.57 116.68 2jyc h LYS 109 Ca 0.19 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2jyc h LYS 109 Cb 0.34 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jyc h LYS 109 CO -0.00 0.86 -0.27 0.09 -0.57 0.00 0.00 179.45 179.56 2jyc n ASN 110 N -3.97 2.23 -1.52 0.86 5.03 -0.32 -4.96 115.26 112.60 2jyc n ASN 110 Ca -0.02 -1.62 -0.06 0.00 0.87 0.00 0.00 54.58 53.74 2jyc n ASN 110 Cb 0.57 0.26 0.02 0.00 -1.02 0.00 0.00 39.78 39.61 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 1.37 0.40 3.58 7.41 0.00 -0.04 -5.02 105.19 112.89 2jyc n GLY 111 Ca 0.12 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2jyc n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jyc s VAL 112 N -3.10 5.07 0.00 1.61 1.01 0.14 -4.90 120.40 120.23 2jyc s VAL 112 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2jyc s VAL 112 Cb -0.05 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2jyc s VAL 112 CO 0.21 0.30 0.52 1.07 0.00 0.00 0.00 175.10 177.21 2jyc n THR 113 N 4.79 0.23 -4.02 3.92 5.66 -1.26 -4.51 114.28 119.09 2jyc n THR 113 Ca -0.15 -0.49 -0.22 0.00 -3.05 0.00 0.00 64.05 60.14 2jyc n THR 113 Cb 0.52 1.06 -0.17 0.00 -1.55 0.00 0.00 70.33 70.19 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 -0.23 1.43 0.03 1.09 1.01 -1.26 0.55 116.67 119.30 2jyc s ASP 114 Ca 0.00 -0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.14 2jyc s ASP 114 Cb 0.00 -0.54 -0.02 0.00 1.01 0.00 0.00 42.92 43.37 2jyc s ASP 114 CO 0.00 -0.10 -0.11 -0.76 0.21 0.00 0.00 175.17 174.40 2jyc s LEU 115 N 1.37 2.17 -0.05 1.23 1.43 0.16 0.04 118.68 125.03 2jyc s LEU 115 Ca -0.03 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2jyc s LEU 115 Cb -0.13 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.64 2jyc s LEU 115 CO -0.03 -0.02 -0.12 -0.94 0.23 0.00 0.00 176.35 175.47 2jyc s SER 116 N -1.10 1.68 0.07 2.29 1.04 0.17 -0.23 113.70 117.62 2jyc s SER 116 Ca -0.01 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.06 2jyc s SER 116 Cb -0.07 -0.60 -0.00 0.00 0.10 0.00 0.00 66.02 65.44 2jyc s SER 116 CO 0.01 0.07 0.19 0.00 0.98 0.00 0.00 173.24 174.49 2jyc s MET 117 N 0.37 0.79 0.62 4.02 0.23 0.06 -0.35 119.30 125.04 2jyc s MET 117 Ca -0.08 -0.85 -0.09 0.00 -1.03 0.00 0.00 55.69 53.64 2jyc s MET 117 Cb -0.12 0.32 -0.00 0.00 -1.53 0.00 0.00 34.83 33.50 2jyc s MET 117 CO 0.02 -0.24 0.98 -1.25 -2.03 0.00 0.00 175.02 172.50 2jyc s PRO 118 N -3.43 3.07 -0.87 3.16 0.04 -1.26 -1.81 135.00 133.91 2jyc s PRO 118 Ca 0.02 0.30 -0.25 0.00 0.04 0.00 0.00 61.00 61.11 2jyc s PRO 118 Cb 0.03 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 2jyc s PRO 118 CO -0.09 -0.74 2.09 0.50 0.04 0.00 0.00 177.00 178.80 2jyc s ARG 119 N -5.12 2.25 0.00 4.56 3.52 -1.26 -4.75 118.95 118.15 2jyc s ARG 119 Ca 0.55 -0.04 0.05 0.00 -0.13 0.00 0.00 55.73 56.16 2jyc s ARG 119 Cb -0.11 -4.97 0.31 0.00 -1.56 0.00 0.00 34.95 28.62 2jyc s ARG 119 CO 0.49 -3.72 0.75 0.44 -0.81 0.00 0.00 175.30 172.44 2jyc n ILE 120 N 8.17 0.00 0.69 4.11 -5.35 -1.26 -1.24 119.36 124.48 2jyc n ILE 120 Ca 0.42 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 63.01 2jyc n ILE 120 Cb 0.46 -0.46 0.05 0.00 -1.74 0.00 0.00 39.64 37.94 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 -0.08 -1.19 3.66 3.28 0.00 -1.26 -4.62 105.19 104.98 2jyc n GLY 121 Ca 0.04 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 3.39 0.52 1.49 0.00 0.00 -1.26 -4.80 105.19 104.53 2jyc n GLY 123 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 2.06 0.00 0.99 7.99 -1.08 -4.93 117.00 122.03 2jyc n LEU 124 Ca 0.00 -3.06 0.00 0.00 -0.01 0.00 0.00 56.01 52.94 2jyc n LEU 124 Cb 0.00 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 2jyc n LEU 124 CO 0.00 1.05 0.37 0.47 -1.51 0.00 0.00 177.39 177.77 2jyc n ASP 125 N -0.31 0.00 0.18 -1.43 8.00 -0.80 -1.45 116.55 120.75 2jyc n ASP 125 Ca 0.14 0.24 0.04 0.00 0.71 0.00 0.00 54.79 55.92 2jyc n ASP 125 Cb 0.93 -0.24 0.35 0.00 -0.02 0.00 0.00 41.12 42.14 2jyc n ASP 125 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2jyc h ARG 126 N 0.00 0.00 -6.64 -1.24 -0.00 -1.91 -3.42 114.38 101.17 2jyc h ARG 126 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.97 2jyc h ARG 126 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.02 2jyc h ARG 126 CO 0.00 0.40 0.16 -0.51 0.00 0.00 0.00 179.97 180.02 2jyc s LEU 127 N -7.69 4.33 -0.26 3.04 1.02 -0.52 -5.01 118.68 113.58 2jyc s LEU 127 Ca -0.02 1.51 -0.25 0.00 0.02 0.00 0.00 54.13 55.39 2jyc s LEU 127 Cb 0.13 -3.69 -0.00 0.00 0.02 0.00 0.00 46.19 42.64 2jyc s LEU 127 CO 0.71 0.00 0.84 -1.58 0.02 0.00 0.00 176.35 176.34 2jyc s GLN 128 N -2.02 4.12 0.51 1.70 2.00 -1.26 -4.90 119.66 119.80 2jyc s GLN 128 Ca 0.45 0.87 0.17 0.00 -2.00 0.00 0.00 55.36 54.85 2jyc s GLN 128 Cb -0.17 -3.67 1.27 0.00 0.80 0.00 0.00 33.01 31.24 2jyc s GLN 128 CO 0.21 -0.59 2.12 2.35 -0.50 0.00 0.00 175.29 178.89 2jyc h TRP 129 N 7.82 0.00 -0.81 1.67 2.91 -1.93 0.12 115.95 125.74 2jyc h TRP 129 Ca -0.23 0.00 0.07 0.00 1.13 0.00 0.00 58.89 59.86 2jyc h TRP 129 Cb 1.09 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.69 2jyc h TRP 129 CO 0.76 0.05 0.53 1.49 -1.03 0.00 0.00 178.44 180.24 2jyc h GLU 130 N 0.00 0.81 0.09 2.65 4.81 -1.99 0.34 114.58 121.29 2jyc h GLU 130 Ca -0.00 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2jyc h GLU 130 Cb 0.09 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.30 2jyc h GLU 130 CO 0.01 0.54 -0.69 -0.91 -0.73 0.00 0.00 179.01 177.22 2jyc h ASN 131 N 0.84 0.45 0.44 1.04 -0.26 -1.24 -3.19 115.58 113.66 2jyc h ASN 131 Ca 0.36 -0.90 -0.02 0.00 -0.56 0.00 0.00 56.30 55.17 2jyc h ASN 131 Cb 0.30 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2jyc h ASN 131 CO -0.13 1.31 -0.21 0.58 -1.06 0.00 0.00 177.43 177.92 2jyc h VAL 132 N -0.35 0.56 -0.35 2.81 2.07 -0.44 0.21 116.25 120.75 2jyc h VAL 132 Ca -0.11 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.32 2jyc h VAL 132 Cb 1.50 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 2jyc h VAL 132 CO 0.13 0.03 0.04 -1.28 0.02 0.00 0.00 177.57 176.51 2jyc h SER 133 N -0.68 -0.06 -0.36 0.57 0.87 -0.51 0.24 113.55 113.62 2jyc h SER 133 Ca -0.06 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2jyc h SER 133 Cb 0.50 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2jyc h SER 133 CO 0.10 0.01 0.19 0.00 -0.53 0.00 0.00 176.83 176.59 2jyc h ALA 134 N 1.28 0.46 -0.93 6.23 0.00 -1.52 -1.86 119.26 122.92 2jyc h ALA 134 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jyc h ALA 134 Cb 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2jyc h ALA 134 CO -0.25 0.00 0.58 1.98 0.00 0.00 0.00 179.25 181.56 2jyc h MET 135 N 0.45 1.25 -0.18 0.00 -1.53 0.33 0.41 114.93 115.66 2jyc h MET 135 Ca 0.13 -0.10 0.01 0.00 -3.44 0.00 0.00 59.70 56.30 2jyc h MET 135 Cb 0.08 -0.27 -0.01 0.00 -0.55 0.00 0.00 31.60 30.85 2jyc h MET 135 CO -0.02 0.85 0.09 0.82 0.14 0.00 0.00 176.91 178.80 2jyc h ILE 136 N 1.27 1.00 0.00 1.77 2.04 -0.30 -0.94 117.51 122.35 2jyc h ILE 136 Ca 0.34 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 66.05 2jyc h ILE 136 Cb -0.09 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2jyc h ILE 136 CO -0.07 0.04 -0.40 -0.33 0.00 0.00 0.00 178.15 177.39 2jyc h GLU 137 N 0.20 0.00 0.14 2.37 5.08 -0.48 -1.01 114.58 120.86 2jyc h GLU 137 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2jyc h GLU 137 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2jyc h GLU 137 CO -0.05 0.40 -0.07 0.93 -1.00 0.00 0.00 179.01 179.23 2jyc h GLU 138 N 0.00 -0.18 -0.05 2.33 5.08 0.41 0.13 114.58 122.30 2jyc h GLU 138 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jyc h GLU 138 Cb 0.73 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jyc h GLU 138 CO 0.05 0.02 0.03 0.28 -1.00 0.00 0.00 179.01 178.39 2jyc h VAL 139 N -0.35 1.06 0.00 3.13 2.07 -1.05 -2.75 116.25 118.35 2jyc h VAL 139 Ca -0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2jyc h VAL 139 Cb 0.28 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2jyc h VAL 139 CO 0.03 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.16 2jyc n PHE 140 N -5.03 0.84 -0.22 1.57 3.72 -0.40 -3.87 117.46 114.08 2jyc n PHE 140 Ca -0.06 0.32 0.16 0.00 -0.05 0.00 0.00 57.45 57.82 2jyc n PHE 140 Cb 0.06 -1.02 0.48 0.00 -0.94 0.00 0.00 39.48 38.06 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 0.45 -0.08 -1.08 4.81 -0.42 0.20 114.58 118.46 2jyc h GLU 141 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jyc h GLU 141 Cb 0.40 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2jyc h GLU 141 CO 0.00 0.30 0.00 0.00 -0.73 0.00 0.00 179.01 178.58 2jyc n ALA 142 N -2.50 2.57 -2.59 2.92 0.00 -1.25 -4.82 120.51 114.84 2jyc n ALA 142 Ca 0.17 -0.33 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 2jyc n ALA 142 Cb 0.60 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 2jyc n ALA 142 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jyc s THR 143 N -1.90 1.26 -0.79 0.00 -4.23 0.69 -5.09 115.64 105.58 2jyc s THR 143 Ca 0.31 -1.52 -0.07 0.00 -1.18 0.00 0.00 61.69 59.22 2jyc s THR 143 Cb 0.16 -1.33 0.20 0.00 1.34 0.00 0.00 72.50 72.87 2jyc s THR 143 CO 0.25 -0.31 0.68 -0.62 -0.54 0.00 0.00 174.62 174.07 2jyc s ASP 144 N -2.10 6.10 -0.08 3.99 2.15 -1.26 -4.92 116.67 120.54 2jyc s ASP 144 Ca 0.04 -3.01 -0.01 0.00 0.43 0.00 0.00 52.55 50.01 2jyc s ASP 144 Cb -0.07 -2.02 0.03 0.00 -0.30 0.00 0.00 42.92 40.55 2jyc s ASP 144 CO 0.03 -0.40 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.95 2jyc s ILE 145 N -0.31 0.67 0.17 4.11 1.01 -1.26 -4.62 121.20 120.97 2jyc s ILE 145 Ca 0.20 -0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.48 2jyc s ILE 145 Cb -0.14 -0.75 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 2jyc s ILE 145 CO -0.07 0.30 0.89 -0.75 0.00 0.00 0.00 174.94 175.31 2jyc s LYS 146 N 1.68 4.71 -0.17 2.79 2.20 0.19 -4.85 119.74 126.29 2jyc s LYS 146 Ca 0.02 1.36 0.01 0.00 -0.36 0.00 0.00 55.97 57.00 2jyc s LYS 146 Cb -0.13 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.91 2jyc s LYS 146 CO -0.05 0.42 -0.13 0.42 -0.36 0.00 0.00 175.35 175.65 2jyc s ILE 147 N -0.72 1.65 -0.23 5.43 1.01 0.26 0.36 121.20 128.96 2jyc s ILE 147 Ca 0.41 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 2jyc s ILE 147 Cb -0.24 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2jyc s ILE 147 CO 0.29 0.34 0.00 -0.89 0.00 0.00 0.00 174.94 174.68 2jyc s THR 148 N 1.43 3.78 -0.37 2.92 2.01 0.68 -1.84 115.64 124.25 2jyc s THR 148 Ca 0.02 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 2jyc s THR 148 Cb -0.14 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.64 2jyc s THR 148 CO -0.10 0.39 0.23 -0.69 -0.69 0.00 0.00 174.62 173.77 2jyc s VAL 149 N 1.47 4.88 -0.29 3.82 1.01 0.30 -0.76 120.40 130.83 2jyc s VAL 149 Ca 0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 2jyc s VAL 149 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2jyc s VAL 149 CO -0.00 -0.20 0.42 -0.31 0.00 0.00 0.00 175.10 175.02 2jyc s TYR 150 N 1.62 3.23 -0.12 5.22 1.51 -0.75 -0.94 117.35 127.13 2jyc s TYR 150 Ca 0.04 0.37 -0.19 0.00 -1.01 0.00 0.00 57.07 56.27 2jyc s TYR 150 Cb -0.19 -2.67 -0.04 0.00 -0.11 0.00 0.00 41.96 38.95 2jyc s TYR 150 CO 0.08 -0.31 0.51 0.95 -1.11 0.00 0.00 175.55 175.67 2jyc s THR 151 N 2.16 5.16 0.00 -0.71 -4.23 0.14 -4.16 115.64 114.00 2jyc s THR 151 Ca 0.16 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2jyc s THR 151 Cb -0.16 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.83 2jyc s THR 151 CO 0.11 0.30 0.00 -0.11 -0.54 0.00 0.00 174.62 174.38