#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 -0.93 -0.37 0.62 0.00 -1.26 -4.90 121.76 114.91 2jyc s ALA 2 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2jyc s ALA 2 Cb 0.00 -2.20 0.18 0.00 0.00 0.00 0.00 23.12 21.09 2jyc s ALA 2 CO 0.00 -2.11 0.54 -1.54 0.00 0.00 0.00 175.76 172.65 2jyc s SER 3 N 1.65 -0.73 -0.28 0.00 1.04 -1.26 -5.01 113.70 109.11 2jyc s SER 3 Ca 0.16 -0.78 -0.00 0.00 0.48 0.00 0.00 55.95 55.80 2jyc s SER 3 Cb -0.13 1.57 0.14 0.00 0.10 0.00 0.00 66.02 67.70 2jyc s SER 3 CO -0.07 -0.23 0.32 -0.55 0.98 0.00 0.00 173.24 173.69 2jyc s SER 4 N 1.97 1.29 0.04 7.02 0.15 -1.22 -4.84 113.70 118.11 2jyc s SER 4 Ca 0.15 -0.58 -0.27 0.00 0.70 0.00 0.00 55.95 55.95 2jyc s SER 4 Cb -0.08 0.67 0.09 0.00 -1.71 0.00 0.00 66.02 64.98 2jyc s SER 4 CO -0.11 -0.37 0.79 -1.48 1.20 0.00 0.00 173.24 173.26 2jyc s LEU 5 N 2.41 -0.44 -0.30 3.45 2.34 -1.26 -4.33 118.68 120.55 2jyc s LEU 5 Ca 0.09 0.04 -0.02 0.00 0.06 0.00 0.00 54.13 54.31 2jyc s LEU 5 Cb -0.14 2.23 0.19 0.00 -0.56 0.00 0.00 46.19 47.91 2jyc s LEU 5 CO -0.30 -0.73 0.64 0.21 -1.06 0.00 0.00 176.35 175.12 2jyc s ASN 6 N -2.47 -1.30 -0.79 1.48 2.47 -1.26 -5.02 114.94 108.05 2jyc s ASN 6 Ca 0.03 0.83 -0.14 0.00 0.42 0.00 0.00 52.86 54.00 2jyc s ASN 6 Cb -0.01 2.10 0.21 0.00 -1.45 0.00 0.00 41.25 42.10 2jyc s ASN 6 CO -0.09 -0.24 0.73 -0.70 -3.72 0.00 0.00 177.10 173.07 2jyc s GLU 7 N 2.87 3.50 -0.39 0.43 2.12 -1.26 -4.82 118.70 121.15 2jyc s GLU 7 Ca 0.19 -2.38 0.06 0.00 0.36 0.00 0.00 54.97 53.20 2jyc s GLU 7 Cb -0.15 -4.39 0.17 0.00 0.26 0.00 0.00 34.13 30.02 2jyc s GLU 7 CO -0.20 -1.29 0.54 0.16 -0.54 0.00 0.00 175.26 173.93 2jyc s ASP 8 N 2.29 -0.60 0.39 -1.70 1.47 -1.26 -5.15 116.67 112.11 2jyc s ASP 8 Ca 0.16 -1.02 -0.27 0.00 1.18 0.00 0.00 52.55 52.60 2jyc s ASP 8 Cb -0.13 1.48 -0.09 0.00 -0.34 0.00 0.00 42.92 43.84 2jyc s ASP 8 CO -0.07 -0.21 1.34 -2.84 0.68 0.00 0.00 175.17 174.07 2jyc s PRO 9 N 1.74 4.07 -0.38 2.11 0.02 -1.26 -4.82 135.00 136.47 2jyc s PRO 9 Ca 0.16 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.47 2jyc s PRO 9 Cb -0.08 -2.86 0.16 0.00 0.02 0.00 0.00 34.50 31.73 2jyc s PRO 9 CO -0.07 -0.45 0.36 -2.00 -0.33 0.00 0.00 177.00 174.52 2jyc s GLU 10 N -2.12 0.69 0.00 5.54 2.12 -1.26 -5.05 118.70 118.63 2jyc s GLU 10 Ca 0.54 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.69 2jyc s GLU 10 Cb -0.40 -0.92 0.00 0.00 0.26 0.00 0.00 34.13 33.07 2jyc s GLU 10 CO 0.53 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.42 2jyc n GLY 11 N 3.88 -0.07 0.64 -1.50 0.00 -1.26 -4.86 105.19 102.01 2jyc n GLY 11 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 1.47 0.00 1.61 2.88 -1.26 -4.94 113.62 113.38 2jyc n SER 12 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jyc n SER 12 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.80 0.00 -2.99 -1.46 5.12 -1.26 -5.02 116.66 108.24 2jyc n ARG 13 Ca 0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 2jyc n ARG 13 Cb 0.49 -0.90 -0.04 0.00 -1.16 0.00 0.00 32.46 30.85 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 -1.87 5.01 -0.17 0.55 1.01 -1.25 -1.86 121.20 122.61 2jyc s ILE 14 Ca 0.00 1.53 -0.01 0.00 0.00 0.00 0.00 60.65 62.17 2jyc s ILE 14 Cb 0.00 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 2jyc s ILE 14 CO 0.00 0.21 -0.12 -0.89 0.00 0.00 0.00 174.94 174.14 2jyc s THR 15 N 1.04 2.94 0.02 2.92 2.01 0.11 -4.06 115.64 120.62 2jyc s THR 15 Ca 0.39 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 2jyc s THR 15 Cb -0.18 -2.27 -0.06 0.00 0.01 0.00 0.00 72.50 70.00 2jyc s THR 15 CO 0.18 0.49 0.41 -0.31 -0.69 0.00 0.00 174.62 174.71 2jyc s TYR 16 N 0.91 3.70 -0.03 4.92 2.02 -1.26 -0.19 117.35 127.42 2jyc s TYR 16 Ca -0.03 0.97 0.01 0.00 -0.37 0.00 0.00 57.07 57.65 2jyc s TYR 16 Cb -0.15 -2.27 0.03 0.00 -0.40 0.00 0.00 41.96 39.16 2jyc s TYR 16 CO -0.01 0.62 -0.00 0.08 -1.57 0.00 0.00 175.55 174.67 2jyc s VAL 17 N -1.15 0.20 -0.26 0.71 1.01 0.35 -4.84 120.40 116.42 2jyc s VAL 17 Ca 0.26 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2jyc s VAL 17 Cb -0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2jyc s VAL 17 CO 0.14 0.15 0.13 -1.59 0.00 0.00 0.00 175.10 173.93 2jyc s LYS 18 N 0.96 3.81 0.00 2.72 -2.85 -1.26 -1.20 119.74 121.92 2jyc s LYS 18 Ca -0.10 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 54.47 2jyc s LYS 18 Cb -0.13 -3.49 0.00 0.00 -2.06 0.00 0.00 37.83 32.15 2jyc s LYS 18 CO -0.01 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2jyc n GLY 19 N 4.95 -0.44 2.94 0.59 0.00 -1.26 -4.91 105.19 107.06 2jyc n GLY 19 Ca -0.15 0.43 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 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 1.68 0.38 1.61 2.15 -1.26 -4.92 116.67 112.30 2jyc s ASP 20 Ca 0.00 -0.24 0.18 0.00 0.43 0.00 0.00 52.55 52.91 2jyc s ASP 20 Cb 0.00 -0.72 0.73 0.00 -0.30 0.00 0.00 42.92 42.64 2jyc s ASP 20 CO 0.00 -0.05 1.77 0.25 -0.17 0.00 0.00 175.17 176.98 2jyc h LEU 21 N 7.45 0.00 -0.03 -1.34 7.12 -1.95 -1.98 115.31 124.58 2jyc h LEU 21 Ca -0.31 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.70 2jyc h LEU 21 Cb 1.16 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 2jyc h LEU 21 CO 0.44 0.37 -0.02 0.49 -0.13 0.00 0.00 178.44 179.59 2jyc n PHE 22 N -3.67 0.00 -0.86 1.25 3.72 -1.26 -2.79 117.46 113.85 2jyc n PHE 22 Ca -0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 2jyc n PHE 22 Cb 0.47 -0.28 0.38 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.25 3.65 -1.76 4.37 0.00 -0.75 -5.01 120.51 119.76 2jyc n ALA 23 Ca 0.14 -1.91 -0.37 0.00 0.00 0.00 0.00 53.44 51.31 2jyc n ALA 23 Cb 0.25 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.65 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc s PRO 25 N -2.90 2.23 0.31 0.00 0.02 -1.26 -4.94 135.00 128.46 2jyc s PRO 25 Ca 0.68 1.74 0.26 0.00 0.02 0.00 0.00 61.00 63.71 2jyc s PRO 25 Cb -0.31 -1.85 0.97 0.00 0.02 0.00 0.00 34.50 33.33 2jyc s PRO 25 CO 0.36 -1.76 1.77 1.57 -0.33 0.00 0.00 177.00 178.61 2jyc h LYS 26 N -0.20 0.00 0.00 5.54 5.09 -2.01 -2.69 116.57 122.30 2jyc h LYS 26 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.26 2jyc h LYS 26 Cb 1.29 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.62 2jyc h LYS 26 CO 0.50 0.00 -0.39 0.00 -2.09 0.00 0.00 179.45 177.47 2jyc h THR 27 N 0.00 0.00 -3.41 0.07 1.03 -1.95 -3.45 112.91 105.20 2jyc h THR 27 Ca 0.00 -0.59 -0.59 0.00 -0.01 0.00 0.00 66.41 65.22 2jyc h THR 27 Cb 0.52 1.34 -0.10 0.00 -1.07 0.00 0.00 68.15 68.84 2jyc h THR 27 CO 0.00 0.00 -0.13 -1.81 -0.01 0.00 0.00 175.52 173.57 2jyc s ASP 28 N -4.64 6.56 0.74 0.00 1.01 -1.02 -4.35 116.67 114.99 2jyc s ASP 28 Ca 0.07 0.67 -0.08 0.00 0.71 0.00 0.00 52.55 53.92 2jyc s ASP 28 Cb 0.12 -2.27 0.08 0.00 1.01 0.00 0.00 42.92 41.86 2jyc s ASP 28 CO 0.68 -0.08 1.07 -0.44 0.21 0.00 0.00 175.17 176.61 2jyc s SER 29 N 0.90 4.59 0.00 0.27 0.01 0.71 -4.79 113.70 115.41 2jyc s SER 29 Ca 0.23 0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.99 2jyc s SER 29 Cb -0.15 -1.01 -0.01 0.00 0.21 0.00 0.00 66.02 65.06 2jyc s SER 29 CO 0.09 -1.76 -0.15 -0.22 0.41 0.00 0.00 173.24 171.61 2jyc s LEU 30 N -5.35 2.07 0.15 2.44 0.20 -0.47 0.33 118.68 118.04 2jyc s LEU 30 Ca 0.62 -0.32 0.04 0.00 0.69 0.00 0.00 54.13 55.17 2jyc s LEU 30 Cb -0.10 -0.73 -0.04 0.00 -0.43 0.00 0.00 46.19 44.89 2jyc s LEU 30 CO 0.46 0.15 -0.09 0.00 -0.29 0.00 0.00 176.35 176.57 2jyc s ALA 31 N -0.47 1.46 0.27 5.97 0.00 0.30 0.67 121.76 129.96 2jyc s ALA 31 Ca 0.05 -1.51 -0.14 0.00 0.00 0.00 0.00 51.96 50.37 2jyc s ALA 31 Cb -0.06 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2jyc s ALA 31 CO -0.00 -0.11 0.54 -1.01 0.00 0.00 0.00 175.76 175.18 2jyc s HIS 32 N -3.34 0.31 -0.09 0.00 0.09 -0.09 -4.38 115.29 107.79 2jyc s HIS 32 Ca 0.17 -0.69 0.03 0.00 -0.00 0.00 0.00 55.06 54.57 2jyc s HIS 32 Cb 0.03 0.30 -0.01 0.00 -0.00 0.00 0.00 32.58 32.89 2jyc s HIS 32 CO 0.01 -1.08 -0.18 0.00 -0.00 0.00 0.00 174.74 173.49 2jyc s ILE 34 N -0.05 0.00 0.17 0.00 -4.36 0.13 -4.86 121.20 112.23 2jyc s ILE 34 Ca -0.05 -1.74 -0.06 0.00 -0.26 0.00 0.00 60.65 58.55 2jyc s ILE 34 Cb -0.14 -2.42 -0.06 0.00 1.25 0.00 0.00 42.46 41.09 2jyc s ILE 34 CO 0.04 0.00 0.42 -0.94 0.24 0.00 0.00 174.94 174.70 2jyc s SER 35 N -3.14 6.51 0.32 4.36 1.04 -1.26 -2.33 113.70 119.21 2jyc s SER 35 Ca 0.32 0.65 0.01 0.00 0.48 0.00 0.00 55.95 57.42 2jyc s SER 35 Cb 0.03 -2.12 0.57 0.00 0.10 0.00 0.00 66.02 64.61 2jyc s SER 35 CO 0.13 0.01 1.95 1.05 0.98 0.00 0.00 173.24 177.37 2jyc h GLU 36 N 2.67 0.93 0.00 4.02 4.11 -0.59 -1.05 114.58 124.68 2jyc h GLU 36 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2jyc h GLU 36 Cb 1.17 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2jyc h GLU 36 CO 0.71 0.62 0.00 -3.47 0.07 0.00 0.00 179.01 176.94 2jyc n ASP 37 N -4.46 0.30 -2.38 3.06 2.03 -1.09 -4.71 116.55 109.31 2jyc n ASP 37 Ca 0.11 0.55 -0.20 0.00 0.52 0.00 0.00 54.79 55.77 2jyc n ASP 37 Cb 0.13 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 -0.32 -0.17 0.00 0.00 3.08 -1.89 -3.46 114.38 111.62 2jyc h ARG 39 Ca -0.47 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2jyc h ARG 39 Cb 1.34 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2jyc h ARG 39 CO 0.55 0.30 0.00 -1.33 -1.07 0.00 0.00 179.97 178.41 2jyc n MET 40 N -4.91 0.00 0.00 0.04 2.81 -1.26 -4.76 117.12 109.04 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 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 2jyc n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jyc n GLY 41 N 0.00 2.96 3.24 3.03 0.00 -1.26 -4.84 105.19 108.32 2jyc n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2jyc n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc s ALA 42 N -1.16 -0.40 0.00 4.61 0.00 -1.26 -5.03 121.76 118.51 2jyc s ALA 42 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2jyc s ALA 42 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2jyc s ALA 42 CO 0.00 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2jyc n GLY 43 N -0.11 1.38 0.26 0.00 0.00 -1.26 -4.59 105.19 100.86 2jyc n GLY 43 Ca -0.15 -2.07 0.17 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.00 -2.60 117.51 114.40 2jyc h ILE 44 Ca 0.00 -0.48 -0.04 0.00 1.08 0.00 0.00 64.86 65.42 2jyc h ILE 44 Cb 0.00 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 2jyc h ILE 44 CO 0.00 0.00 -0.17 0.00 -1.08 0.00 0.00 178.15 176.90 2jyc h ALA 45 N 2.03 1.64 -0.26 0.18 0.00 -1.90 -1.19 119.26 119.77 2jyc h ALA 45 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2jyc h ALA 45 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jyc h ALA 45 CO 0.00 0.22 -0.42 0.28 0.00 0.00 0.00 179.25 179.33 2jyc h VAL 46 N 0.00 1.30 -0.67 0.00 2.07 -1.71 0.10 116.25 117.34 2jyc h VAL 46 Ca -0.00 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 2jyc h VAL 46 Cb 0.32 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 2jyc h VAL 46 CO 0.02 0.51 0.34 -0.07 0.02 0.00 0.00 177.57 178.39 2jyc h LEU 47 N 0.52 0.83 0.03 2.57 3.38 -1.35 -2.36 115.31 118.93 2jyc h LEU 47 Ca 0.04 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.66 2jyc h LEU 47 Cb 0.95 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.50 2jyc h LEU 47 CO 0.09 0.69 -1.15 -0.26 0.09 0.00 0.00 178.44 177.89 2jyc h PHE 48 N 0.93 0.84 -0.05 1.13 -1.00 -0.97 -2.96 116.94 114.87 2jyc h PHE 48 Ca 0.23 -0.51 -0.05 0.00 2.81 0.00 0.00 57.97 60.45 2jyc h PHE 48 Cb 0.06 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 2jyc h PHE 48 CO 0.01 1.36 -0.19 1.57 -1.61 0.00 0.00 178.31 179.45 2jyc h LYS 49 N 0.25 0.08 -0.39 1.51 5.09 -0.60 0.32 116.57 122.82 2jyc h LYS 49 Ca -0.15 -0.02 -0.11 0.00 0.09 0.00 0.00 60.65 60.46 2jyc h LYS 49 Cb 1.82 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 34.13 2jyc h LYS 49 CO 0.21 0.28 -0.20 0.87 -2.09 0.00 0.00 179.45 178.52 2jyc h LYS 50 N 0.08 0.82 0.00 0.07 1.57 -1.46 -1.02 116.57 116.63 2jyc h LYS 50 Ca 0.01 -0.36 -0.21 0.00 -1.87 0.00 0.00 60.65 58.22 2jyc h LYS 50 Cb 0.39 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2jyc h LYS 50 CO 0.03 0.99 -1.12 0.87 -0.57 0.00 0.00 179.45 179.65 2jyc h LYS 51 N 0.62 0.00 0.00 3.15 1.57 -1.19 -3.37 116.57 117.36 2jyc h LYS 51 Ca 0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 2jyc h LYS 51 Cb 0.76 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 2jyc h LYS 51 CO 0.06 0.73 -2.17 1.19 -0.57 0.00 0.00 179.45 178.69 2jyc n PHE 52 N -3.21 0.00 0.00 -1.35 3.01 0.10 -4.98 117.46 111.03 2jyc n PHE 52 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2jyc n PHE 52 Cb 0.92 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 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 1.51 0.59 2.64 1.37 0.00 -0.38 -4.81 105.19 106.10 2jyc n GLY 53 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 3.64 0.16 -0.02 0.00 -1.26 -4.48 105.19 103.23 2jyc n GLY 54 Ca 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.71 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 3.63 1.39 -0.57 1.61 2.07 -1.88 -2.87 116.25 119.63 2jyc h VAL 55 Ca 0.61 -1.93 0.04 0.00 0.82 0.00 0.00 66.70 66.25 2jyc h VAL 55 Cb 0.40 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2jyc h VAL 55 CO 1.74 0.56 0.38 1.56 0.02 0.00 0.00 177.57 181.83 2jyc h GLN 56 N 0.10 0.59 0.00 1.57 7.50 -1.99 -0.44 115.11 122.43 2jyc h GLN 56 Ca -0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 2jyc h GLN 56 Cb 1.03 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 28.43 2jyc h GLN 56 CO 0.08 0.39 -0.06 0.93 -1.50 0.00 0.00 178.83 178.67 2jyc h GLU 57 N 0.61 0.00 -0.02 1.46 5.08 -1.87 0.54 114.58 120.37 2jyc h GLU 57 Ca 0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2jyc h GLU 57 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jyc h GLU 57 CO -0.06 0.06 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.79 2jyc h LEU 58 N 0.00 0.16 -0.56 1.33 3.38 -1.21 -3.21 115.31 115.20 2jyc h LEU 58 Ca -0.00 -0.69 -0.12 0.00 0.09 0.00 0.00 57.88 57.16 2jyc h LEU 58 Cb 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2jyc h LEU 58 CO 0.01 0.82 -0.14 -0.07 0.09 0.00 0.00 178.44 179.15 2jyc h LEU 59 N -0.49 1.01 -2.07 1.67 3.38 -0.78 -2.82 115.31 115.21 2jyc h LEU 59 Ca -0.01 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2jyc h LEU 59 Cb 0.82 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jyc h LEU 59 CO 0.03 1.14 0.02 0.78 0.09 0.00 0.00 178.44 180.50 2jyc h ASN 60 N 0.89 0.00 1.37 -0.43 2.35 -0.09 0.75 115.58 120.42 2jyc h ASN 60 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2jyc h ASN 60 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 2jyc h ASN 60 CO 0.05 0.00 0.00 1.56 -1.65 0.00 0.00 177.43 177.39 2jyc h GLN 61 N 0.00 0.00 -6.09 0.81 4.20 -1.50 -3.49 115.11 109.05 2jyc h GLN 61 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2jyc h GLN 61 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2jyc h GLN 61 CO -0.00 0.00 -0.35 0.94 -0.67 0.00 0.00 178.83 178.75 2jyc n GLN 62 N -2.52 -1.41 -3.06 1.46 7.27 0.25 -5.01 117.38 114.36 2jyc n GLN 62 Ca 0.04 1.36 -0.18 0.00 0.07 0.00 0.00 57.00 58.29 2jyc n GLN 62 Cb 0.39 -1.29 0.01 0.00 2.41 0.00 0.00 30.24 31.77 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2jyc s LYS 63 N -0.29 2.74 0.16 3.69 3.01 -1.26 -5.12 119.74 122.68 2jyc s LYS 63 Ca -0.02 -1.32 0.02 0.00 -1.01 0.00 0.00 55.97 53.64 2jyc s LYS 63 Cb 0.00 -2.71 -0.05 0.00 -1.01 0.00 0.00 37.83 34.06 2jyc s LYS 63 CO 0.08 -0.34 -0.01 0.15 0.51 0.00 0.00 175.35 175.74 2jyc s LYS 64 N -4.37 1.07 -0.42 1.68 -0.14 -1.26 -4.89 119.74 111.40 2jyc s LYS 64 Ca 0.55 -1.50 -0.38 0.00 -1.36 0.00 0.00 55.97 53.28 2jyc s LYS 64 Cb -0.09 -0.26 -0.14 0.00 -1.68 0.00 0.00 37.83 35.66 2jyc s LYS 64 CO 0.33 -0.11 2.19 0.45 -0.76 0.00 0.00 175.35 177.46 2jyc n SER 65 N -0.21 1.60 0.00 2.83 2.88 -1.26 -0.82 113.62 118.63 2jyc n SER 65 Ca -0.07 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2jyc n SER 65 Cb 0.63 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jyc n GLY 66 N 6.87 1.00 3.59 0.46 0.00 -0.19 -5.02 105.19 111.90 2jyc n GLY 66 Ca 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.67 2.02 -0.02 1.61 2.02 -0.00 -4.02 118.70 119.65 2jyc s GLU 67 Ca 0.00 -1.68 0.08 0.00 0.02 0.00 0.00 54.97 53.38 2jyc s GLU 67 Cb 0.00 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 2jyc s GLU 67 CO 0.00 0.24 -0.25 0.54 0.02 0.00 0.00 175.26 175.82 2jyc s VAL 68 N -2.47 1.93 -0.01 2.63 0.11 -1.26 -1.65 120.40 119.68 2jyc s VAL 68 Ca 0.33 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2jyc s VAL 68 Cb -0.03 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 2jyc s VAL 68 CO 0.18 0.55 0.09 0.00 -3.33 0.00 0.00 175.10 172.58 2jyc s ALA 69 N -0.58 3.61 0.01 1.54 0.00 0.21 -4.95 121.76 121.59 2jyc s ALA 69 Ca 0.09 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2jyc s ALA 69 Cb -0.09 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 2jyc s ALA 69 CO -0.01 0.69 -0.04 0.54 0.00 0.00 0.00 175.76 176.94 2jyc s VAL 70 N -1.20 0.29 -0.01 0.00 0.11 -1.26 -0.28 120.40 118.05 2jyc s VAL 70 Ca 0.23 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2jyc s VAL 70 Cb -0.12 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2jyc s VAL 70 CO 0.14 -0.05 -0.17 -0.76 -3.33 0.00 0.00 175.10 170.93 2jyc s LEU 71 N -0.43 2.04 -0.12 2.54 1.43 0.48 -4.95 118.68 119.67 2jyc s LEU 71 Ca -0.02 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2jyc s LEU 71 Cb -0.03 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2jyc s LEU 71 CO -0.00 0.21 -0.06 -0.75 0.23 0.00 0.00 176.35 175.98 2jyc s LYS 72 N -0.43 3.33 -0.15 1.70 2.20 -1.26 0.79 119.74 125.93 2jyc s LYS 72 Ca 0.07 -0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 55.09 2jyc s LYS 72 Cb -0.07 -2.76 0.05 0.00 -1.51 0.00 0.00 37.83 33.54 2jyc s LYS 72 CO -0.01 0.37 0.03 0.50 -0.36 0.00 0.00 175.35 175.89 2jyc s ARG 73 N -0.02 0.54 0.85 4.03 3.00 -0.13 -4.98 118.95 122.24 2jyc s ARG 73 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 55.73 54.55 2jyc s ARG 73 Cb -0.13 -1.65 0.00 0.00 0.00 0.00 0.00 34.95 33.16 2jyc s ARG 73 CO 0.03 -0.53 0.00 -0.25 0.00 0.00 0.00 175.30 174.55 2jyc n ASP 74 N 5.12 0.00 0.00 -2.12 8.00 -1.26 -1.18 116.55 125.11 2jyc n ASP 74 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2jyc n ASP 74 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jyc n GLY 75 N 0.00 -1.64 3.78 0.44 0.00 -1.26 -5.08 105.19 101.43 2jyc n GLY 75 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2jyc n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jyc s ARG 76 N 0.00 3.04 -0.20 1.61 0.52 -0.33 -5.01 118.95 118.59 2jyc s ARG 76 Ca 0.00 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.63 2jyc s ARG 76 Cb 0.00 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 2jyc s ARG 76 CO 0.00 0.63 0.02 0.71 0.02 0.00 0.00 175.30 176.68 2jyc s TYR 77 N -1.23 3.08 -0.25 -0.53 1.51 -1.26 -0.95 117.35 117.71 2jyc s TYR 77 Ca 0.24 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 2jyc s TYR 77 Cb -0.12 -2.10 -0.05 0.00 -0.11 0.00 0.00 41.96 39.58 2jyc s TYR 77 CO 0.16 -0.18 0.20 0.42 -1.11 0.00 0.00 175.55 175.04 2jyc s ILE 78 N 0.94 5.32 0.03 2.71 -1.09 0.24 -1.37 121.20 127.97 2jyc s ILE 78 Ca 0.02 0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 2jyc s ILE 78 Cb -0.14 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2jyc s ILE 78 CO 0.02 0.29 0.10 -0.31 -1.23 0.00 0.00 174.94 173.81 2jyc s TYR 79 N 1.41 3.29 -0.28 3.97 1.51 0.21 -0.38 117.35 127.08 2jyc s TYR 79 Ca 0.09 0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 56.30 2jyc s TYR 79 Cb -0.15 -1.70 0.09 0.00 -0.11 0.00 0.00 41.96 40.09 2jyc s TYR 79 CO 0.08 0.55 0.09 0.71 -1.11 0.00 0.00 175.55 175.87 2jyc s TYR 80 N -1.31 1.23 -0.01 2.71 1.51 0.61 -0.91 117.35 121.18 2jyc s TYR 80 Ca 0.27 -1.35 -0.30 0.00 -1.01 0.00 0.00 57.07 54.68 2jyc s TYR 80 Cb -0.12 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 2jyc s TYR 80 CO 0.19 -0.81 1.20 -0.51 -1.11 0.00 0.00 175.55 174.50 2jyc s LEU 81 N 1.78 4.31 -0.42 -1.29 1.43 0.11 -0.62 118.68 123.99 2jyc s LEU 81 Ca 0.07 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.91 2jyc s LEU 81 Cb -0.17 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.53 2jyc s LEU 81 CO -0.25 -0.53 0.31 -0.63 0.23 0.00 0.00 176.35 175.48 2jyc s ILE 82 N 1.79 5.10 -0.12 -0.59 -1.09 -0.66 0.20 121.20 125.83 2jyc s ILE 82 Ca 0.57 -0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 58.03 2jyc s ILE 82 Cb -0.26 -3.92 -0.09 0.00 -1.58 0.00 0.00 42.46 36.61 2jyc s ILE 82 CO 0.25 -0.39 0.25 0.71 -1.23 0.00 0.00 174.94 174.52 2jyc h THR 83 N 5.73 0.61 -3.20 2.92 1.35 -1.77 -0.47 112.91 118.08 2jyc h THR 83 Ca -0.27 -1.47 -0.14 0.00 -0.55 0.00 0.00 66.41 63.98 2jyc h THR 83 Cb 1.11 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 2jyc h THR 83 CO 0.77 0.21 0.01 0.29 -0.25 0.00 0.00 175.52 176.55 2jyc n LYS 84 N -4.71 0.65 0.25 4.72 4.76 -1.26 -4.30 118.16 118.27 2jyc n LYS 84 Ca -0.05 -1.91 -0.13 0.00 -2.87 0.00 0.00 58.31 53.35 2jyc n LYS 84 Cb 0.19 2.03 -0.07 0.00 -1.84 0.00 0.00 35.03 35.33 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 -0.64 -6.13 1.97 1.57 -1.94 0.23 116.57 111.63 2jyc h LYS 85 Ca -0.22 0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.07 2jyc h LYS 85 Cb 0.90 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 2jyc h LYS 85 CO 0.29 -0.33 -0.49 1.03 -0.57 0.00 0.00 179.45 179.38 2jyc s ARG 86 N -4.56 3.26 0.48 3.15 1.81 -1.26 -2.65 118.95 119.18 2jyc s ARG 86 Ca -0.14 -0.74 0.30 0.00 -1.72 0.00 0.00 55.73 53.43 2jyc s ARG 86 Cb 0.02 -2.83 1.12 0.00 -0.45 0.00 0.00 34.95 32.81 2jyc s ARG 86 CO 0.47 0.48 1.88 0.00 -0.68 0.00 0.00 175.30 177.45 2jyc h ALA 87 N 1.95 1.00 -0.28 2.13 0.00 -1.88 -1.95 119.26 120.23 2jyc h ALA 87 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jyc h ALA 87 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jyc h ALA 87 CO 0.65 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.33 2jyc n SER 88 N -2.96 1.71 -4.90 0.00 7.64 -1.26 -4.80 113.62 109.06 2jyc n SER 88 Ca 0.02 -2.05 -0.28 0.00 1.01 0.00 0.00 58.87 57.56 2jyc n SER 88 Cb 0.34 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.63 3.53 -0.32 1.43 3.76 -0.74 -5.05 115.29 116.28 2jyc s HIS 89 Ca 0.19 0.87 -0.13 0.00 -0.15 0.00 0.00 55.06 55.84 2jyc s HIS 89 Cb 0.11 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 2jyc s HIS 89 CO 0.12 -0.19 0.26 0.15 -0.85 0.00 0.00 174.74 174.24 2jyc s LYS 90 N -4.37 3.69 0.39 1.40 -0.14 -1.26 -4.86 119.74 114.61 2jyc s LYS 90 Ca 0.48 -0.44 -0.23 0.00 -1.36 0.00 0.00 55.97 54.42 2jyc s LYS 90 Cb -0.10 -3.75 -0.10 0.00 -1.68 0.00 0.00 37.83 32.20 2jyc s LYS 90 CO 0.39 -0.36 0.98 -1.25 -0.76 0.00 0.00 175.35 174.34 2jyc s PRO 91 N 1.82 4.29 0.34 -1.68 0.04 -1.26 -4.99 135.00 133.56 2jyc s PRO 91 Ca 0.08 1.29 0.09 0.00 0.04 0.00 0.00 61.00 62.49 2jyc s PRO 91 Cb -0.17 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 2jyc s PRO 91 CO 0.11 0.01 0.08 0.95 0.04 0.00 0.00 177.00 178.19 2jyc s THR 92 N -1.88 2.84 0.08 1.26 -4.23 -1.26 -4.98 115.64 107.47 2jyc s THR 92 Ca 0.58 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 59.03 2jyc s THR 92 Cb -0.15 -2.89 -0.14 0.00 1.34 0.00 0.00 72.50 70.66 2jyc s THR 92 CO 0.20 -0.19 1.66 1.88 -0.54 0.00 0.00 174.62 177.63 2jyc h TYR 93 N 1.68 0.08 -0.68 3.99 0.05 -1.98 -0.81 116.97 119.30 2jyc h TYR 93 Ca -0.43 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.32 2jyc h TYR 93 Cb 1.25 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.93 2jyc h TYR 93 CO 0.66 0.15 0.32 1.05 -1.05 0.00 0.00 178.16 179.29 2jyc h GLU 94 N -0.01 0.96 -0.22 4.88 4.11 -1.98 0.19 114.58 122.52 2jyc h GLU 94 Ca 0.02 -0.13 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 2jyc h GLU 94 Cb 0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2jyc h GLU 94 CO -0.00 0.75 -0.10 -0.97 0.07 0.00 0.00 179.01 178.75 2jyc h ASN 95 N 0.96 0.48 -0.61 3.06 -1.24 -1.94 0.07 115.58 116.35 2jyc h ASN 95 Ca 0.24 -0.40 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 2jyc h ASN 95 Cb 0.10 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 2jyc h ASN 95 CO -0.03 0.78 0.38 0.25 -1.29 0.00 0.00 177.43 177.52 2jyc h LEU 96 N 0.18 0.73 -0.70 0.34 5.85 -0.76 -2.57 115.31 118.39 2jyc h LEU 96 Ca 0.05 -0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.83 2jyc h LEU 96 Cb 0.59 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 2jyc h LEU 96 CO 0.03 0.56 0.31 -0.61 -0.34 0.00 0.00 178.44 178.39 2jyc h GLN 97 N 0.83 0.50 -0.59 1.25 4.15 -0.35 -1.04 115.11 119.86 2jyc h GLN 97 Ca 0.22 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.71 2jyc h GLN 97 Cb -0.04 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.46 2jyc h GLN 97 CO -0.04 0.33 0.20 0.87 -1.93 0.00 0.00 178.83 178.26 2jyc h LYS 98 N 0.51 0.36 -0.36 1.69 1.79 -0.58 0.39 116.57 120.37 2jyc h LYS 98 Ca 0.36 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.79 2jyc h LYS 98 Cb 0.44 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2jyc h LYS 98 CO -0.31 0.24 0.16 0.77 -1.08 0.00 0.00 179.45 179.22 2jyc h SER 99 N 0.37 0.48 -0.73 0.86 0.02 -1.01 0.25 113.55 113.80 2jyc h SER 99 Ca 0.30 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2jyc h SER 99 Cb 0.38 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2jyc h SER 99 CO -0.32 0.50 0.45 -0.07 -1.14 0.00 0.00 176.83 176.25 2jyc h LEU 100 N 0.44 0.86 0.14 5.07 -0.00 -0.61 0.15 115.31 121.36 2jyc h LEU 100 Ca 0.12 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2jyc h LEU 100 Cb 0.15 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2jyc h LEU 100 CO -0.01 0.66 -0.07 -0.33 -0.00 0.00 0.00 178.44 178.69 2jyc h GLU 101 N 0.99 -0.18 -0.64 1.13 5.08 -0.61 0.19 114.58 120.54 2jyc h GLU 101 Ca 0.26 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.71 2jyc h GLU 101 Cb -0.05 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 2jyc h GLU 101 CO -0.05 -0.09 0.32 0.00 -1.00 0.00 0.00 179.01 178.19 2jyc h ALA 102 N 0.62 0.86 -0.22 3.43 0.00 -0.70 -1.86 119.26 121.38 2jyc h ALA 102 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jyc h ALA 102 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2jyc h ALA 102 CO 0.03 -0.05 0.01 1.98 0.00 0.00 0.00 179.25 181.23 2jyc h MET 103 N 0.58 0.38 -0.59 0.00 1.85 -0.45 -3.10 114.93 113.61 2jyc h MET 103 Ca 0.30 -0.12 -0.02 0.00 -0.61 0.00 0.00 59.70 59.25 2jyc h MET 103 Cb 0.27 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 2jyc h MET 103 CO -0.23 0.55 0.28 1.57 -0.40 0.00 0.00 176.91 178.68 2jyc h LYS 104 N 0.16 0.85 -0.69 0.39 5.09 -0.25 -2.81 116.57 119.31 2jyc h LYS 104 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 60.65 60.66 2jyc h LYS 104 Cb 0.37 -0.15 -0.03 0.00 0.10 0.00 0.00 32.23 32.52 2jyc h LYS 104 CO 0.01 0.69 0.35 0.77 -2.09 0.00 0.00 179.45 179.18 2jyc h SER 105 N 0.80 0.86 -0.25 7.07 0.02 -1.38 -1.94 113.55 118.73 2jyc h SER 105 Ca 0.20 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2jyc h SER 105 Cb 0.13 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2jyc h SER 105 CO -0.02 0.72 -0.07 -0.74 -1.14 0.00 0.00 176.83 175.58 2jyc h HIS 106 N 0.96 0.66 -0.82 3.45 -0.00 -1.43 -2.58 115.15 115.39 2jyc h HIS 106 Ca 0.24 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.49 2jyc h HIS 106 Cb 0.07 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.26 2jyc h HIS 106 CO 0.01 0.67 0.43 0.00 -0.00 0.00 0.00 177.93 179.04 2jyc h LEU 108 N 1.15 0.68 -0.36 0.00 -0.00 -1.29 0.34 115.31 115.83 2jyc h LEU 108 Ca 0.29 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 58.01 2jyc h LEU 108 Cb 0.07 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 2jyc h LEU 108 CO -0.04 0.69 -0.19 0.11 -0.00 0.00 0.00 178.44 179.00 2jyc h LYS 109 N 0.71 0.00 0.00 1.13 1.57 -1.07 -3.24 116.57 115.67 2jyc h LYS 109 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2jyc h LYS 109 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2jyc h LYS 109 CO -0.00 0.19 -1.25 0.09 -0.57 0.00 0.00 179.45 177.90 2jyc n ASN 110 N -3.19 1.09 -0.36 0.86 5.03 -0.75 -5.00 115.26 112.94 2jyc n ASN 110 Ca 0.02 -0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.08 2jyc n ASN 110 Cb 0.55 1.39 0.00 0.00 -1.02 0.00 0.00 39.78 40.69 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 1.49 0.84 3.40 7.41 0.00 0.33 -5.07 105.19 113.60 2jyc n GLY 111 Ca -0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.45 3.79 0.00 1.61 1.01 0.94 -4.94 120.40 120.36 2jyc s VAL 112 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2jyc s VAL 112 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2jyc s VAL 112 CO 0.00 0.42 0.58 0.35 0.00 0.00 0.00 175.10 176.45 2jyc n THR 113 N 4.49 0.33 -3.87 3.92 -2.24 -1.26 -4.32 114.28 111.32 2jyc n THR 113 Ca -0.17 -0.41 -0.22 0.00 -2.27 0.00 0.00 64.05 60.98 2jyc n THR 113 Cb 0.51 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.57 2jyc n THR 113 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jyc s ASP 114 N -0.33 1.43 0.01 3.42 1.01 -1.26 0.15 116.67 121.10 2jyc s ASP 114 Ca 0.00 -0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.20 2jyc s ASP 114 Cb 0.00 -0.46 -0.02 0.00 1.01 0.00 0.00 42.92 43.46 2jyc s ASP 114 CO 0.00 -0.15 -0.15 -0.76 0.21 0.00 0.00 175.17 174.32 2jyc s LEU 115 N 1.68 2.10 0.00 1.23 1.43 0.79 -0.20 118.68 125.70 2jyc s LEU 115 Ca 0.01 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2jyc s LEU 115 Cb -0.13 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 2jyc s LEU 115 CO -0.04 0.11 -0.16 -0.94 0.23 0.00 0.00 176.35 175.56 2jyc s SER 116 N -0.75 1.83 -0.01 2.29 1.04 0.15 0.26 113.70 118.52 2jyc s SER 116 Ca 0.04 -0.32 -0.25 0.00 0.48 0.00 0.00 55.95 55.90 2jyc s SER 116 Cb -0.07 -0.19 0.05 0.00 0.10 0.00 0.00 66.02 65.92 2jyc s SER 116 CO 0.00 0.16 0.55 0.00 0.98 0.00 0.00 173.24 174.93 2jyc s MET 117 N -0.54 0.97 0.64 4.02 0.23 0.61 -0.54 119.30 124.69 2jyc s MET 117 Ca 0.05 -0.00 -0.11 0.00 -1.03 0.00 0.00 55.69 54.60 2jyc s MET 117 Cb -0.06 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.66 2jyc s MET 117 CO -0.00 -0.31 1.05 -1.25 -2.03 0.00 0.00 175.02 172.47 2jyc s PRO 118 N -1.64 3.37 -0.70 3.16 0.04 -1.26 -0.76 135.00 137.21 2jyc s PRO 118 Ca -0.10 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.30 2jyc s PRO 118 Cb -0.01 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 2jyc s PRO 118 CO 0.05 -0.71 2.51 2.89 0.04 0.00 0.00 177.00 181.78 2jyc n ARG 119 N -2.82 0.58 -2.51 4.56 1.85 0.40 -4.73 116.66 113.99 2jyc n ARG 119 Ca 0.06 0.03 -0.41 0.00 -1.00 0.00 0.00 57.85 56.53 2jyc n ARG 119 Cb 0.55 -2.48 -0.01 0.00 -1.05 0.00 0.00 32.46 29.47 2jyc n ARG 119 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2jyc s ILE 120 N 10.25 4.01 -0.45 8.89 -4.36 -1.26 -4.91 121.20 133.37 2jyc s ILE 120 Ca 1.16 -1.60 -0.09 0.00 -0.26 0.00 0.00 60.65 59.86 2jyc s ILE 120 Cb -0.73 -5.08 0.10 0.00 1.25 0.00 0.00 42.46 37.99 2jyc s ILE 120 CO 0.39 -1.88 0.31 -0.83 0.24 0.00 0.00 174.94 173.17 2jyc s GLY 121 N 4.68 2.01 0.70 6.27 0.00 -1.26 -5.02 107.32 114.70 2jyc s GLY 121 Ca 0.55 -2.35 -0.08 0.00 0.00 0.00 0.00 44.72 42.84 2jyc s GLY 121 CO 0.06 1.04 1.03 0.00 0.00 0.00 0.00 173.10 175.23 2jyc n GLY 123 N -2.93 2.88 0.24 0.00 0.00 -1.26 -3.22 105.19 100.90 2jyc n GLY 123 Ca 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2jyc n GLY 123 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jyc n LEU 124 N 8.21 0.00 0.00 0.99 -0.00 -1.26 -4.81 117.00 120.13 2jyc n LEU 124 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 2jyc n LEU 124 Cb 0.42 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2jyc n LEU 124 CO 0.91 -0.06 0.00 -0.67 -0.00 0.00 0.00 177.39 177.57 2jyc n ASP 125 N -1.62 0.00 0.00 1.96 2.03 -1.20 -4.67 116.55 113.05 2jyc n ASP 125 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2jyc n ASP 125 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 2jyc n ASP 125 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jyc n ARG 126 N 0.00 0.03 -0.19 -0.67 3.00 -1.26 -1.01 116.66 116.56 2jyc n ARG 126 Ca 0.00 0.30 -0.05 0.00 -0.01 0.00 0.00 57.85 58.09 2jyc n ARG 126 Cb 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 32.46 31.08 2jyc n ARG 126 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2jyc h LEU 127 N 0.00 0.93 -0.86 0.55 -0.00 -1.94 -3.50 115.31 110.49 2jyc h LEU 127 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2jyc h LEU 127 Cb 0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 2jyc h LEU 127 CO 0.00 0.90 -0.71 0.00 -0.00 0.00 0.00 178.44 178.63 2jyc n GLN 128 N -4.25 -3.76 -0.08 1.13 6.02 -0.18 -3.92 117.38 112.34 2jyc n GLN 128 Ca 0.05 2.74 0.08 0.00 -0.01 0.00 0.00 57.00 59.86 2jyc n GLN 128 Cb 0.24 -3.04 0.44 0.00 1.02 0.00 0.00 30.24 28.90 2jyc n GLN 128 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 2jyc h TRP 129 N 1.89 0.53 -0.08 1.08 2.91 -1.96 -1.04 115.95 119.28 2jyc h TRP 129 Ca 0.00 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.06 2jyc h TRP 129 Cb 0.00 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.45 2jyc h TRP 129 CO 0.00 0.29 -0.09 1.49 -1.03 0.00 0.00 178.44 179.10 2jyc h GLU 130 N 0.53 -0.11 0.00 2.65 4.81 -1.99 0.44 114.58 120.92 2jyc h GLU 130 Ca 0.24 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 2jyc h GLU 130 Cb 0.28 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2jyc h GLU 130 CO -0.07 -0.07 -0.42 -0.91 -0.73 0.00 0.00 179.01 176.81 2jyc h ASN 131 N -0.11 0.00 0.06 1.04 2.35 -1.47 0.11 115.58 117.56 2jyc h ASN 131 Ca 0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2jyc h ASN 131 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2jyc h ASN 131 CO -0.15 0.42 -0.03 0.58 -1.65 0.00 0.00 177.43 176.61 2jyc h VAL 132 N 0.00 1.25 -0.32 2.81 2.07 -0.73 -1.14 116.25 120.19 2jyc h VAL 132 Ca -0.00 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.44 2jyc h VAL 132 Cb 0.94 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 2jyc h VAL 132 CO 0.06 0.28 0.06 -1.28 0.02 0.00 0.00 177.57 176.70 2jyc h SER 133 N -0.59 -0.00 -0.40 0.57 0.87 0.00 -1.12 113.55 112.88 2jyc h SER 133 Ca -0.01 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2jyc h SER 133 Cb 0.51 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 2jyc h SER 133 CO 0.01 0.03 0.19 0.00 -0.53 0.00 0.00 176.83 176.54 2jyc h ALA 134 N 1.24 0.50 -0.50 6.23 0.00 -1.01 -1.15 119.26 124.55 2jyc h ALA 134 Ca 0.15 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2jyc h ALA 134 Cb 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2jyc h ALA 134 CO -0.20 -0.17 0.18 1.98 0.00 0.00 0.00 179.25 181.04 2jyc h MET 135 N 0.40 0.35 -0.44 0.00 4.05 -0.58 0.32 114.93 119.03 2jyc h MET 135 Ca 0.17 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 2jyc h MET 135 Cb 0.09 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 2jyc h MET 135 CO -0.13 0.23 0.28 0.82 0.23 0.00 0.00 176.91 178.34 2jyc h ILE 136 N 0.36 1.13 -0.04 1.77 2.04 -0.77 -2.11 117.51 119.89 2jyc h ILE 136 Ca 0.24 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 2jyc h ILE 136 Cb 0.26 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2jyc h ILE 136 CO -0.25 0.12 -0.43 -0.33 0.00 0.00 0.00 178.15 177.27 2jyc h GLU 137 N 0.59 0.09 0.10 2.37 5.08 -0.22 -0.98 114.58 121.60 2jyc h GLU 137 Ca 0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2jyc h GLU 137 Cb -0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2jyc h GLU 137 CO -0.03 0.51 -0.05 0.93 -1.00 0.00 0.00 179.01 179.37 2jyc h GLU 138 N 0.07 -0.13 -0.10 2.33 5.08 0.17 -1.00 114.58 121.01 2jyc h GLU 138 Ca 0.00 0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 2jyc h GLU 138 Cb 0.80 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.09 2jyc h GLU 138 CO 0.06 0.17 -0.71 -0.24 -1.00 0.00 0.00 179.01 177.29 2jyc h VAL 139 N -0.42 1.32 0.00 3.13 3.04 -1.38 -3.12 116.25 118.82 2jyc h VAL 139 Ca -0.01 -1.98 0.00 0.00 -1.01 0.00 0.00 66.70 63.70 2jyc h VAL 139 Cb 0.35 2.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2jyc h VAL 139 CO 0.02 0.61 0.00 -0.26 -1.01 0.00 0.00 177.57 176.93 2jyc h PHE 140 N 0.31 0.00 -0.14 3.17 0.04 -1.26 -3.10 116.94 115.97 2jyc h PHE 140 Ca -0.06 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.75 2jyc h PHE 140 Cb 1.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.50 2jyc h PHE 140 CO 0.10 0.00 0.10 1.49 -0.60 0.00 0.00 178.31 179.41 2jyc h GLU 141 N 0.00 0.00 0.00 1.51 4.81 -1.10 -0.01 114.58 119.78 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 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 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 -2.54 1.85 -4.28 2.92 0.00 -1.17 -4.77 120.51 112.53 2jyc n ALA 142 Ca 0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 2jyc n ALA 142 Cb 0.23 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.50 0.00 -3.58 0.00 -2.24 -0.02 -5.09 114.28 101.85 2jyc n THR 143 Ca 0.05 -1.89 -0.27 0.00 -2.27 0.00 0.00 64.05 59.67 2jyc n THR 143 Cb 0.22 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 2jyc n THR 143 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jyc n ASP 144 N -1.62 1.69 -4.25 3.42 2.03 -1.26 -4.95 116.55 111.60 2jyc n ASP 144 Ca -0.05 -2.92 -0.33 0.00 0.52 0.00 0.00 54.79 52.01 2jyc n ASP 144 Cb 0.49 -0.67 -0.15 0.00 -0.72 0.00 0.00 41.12 40.07 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jyc s ILE 145 N -1.11 2.61 0.24 5.18 1.01 -1.26 -4.80 121.20 123.07 2jyc s ILE 145 Ca 0.31 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 2jyc s ILE 145 Cb 0.04 -2.10 -0.09 0.00 0.01 0.00 0.00 42.46 40.32 2jyc s ILE 145 CO -0.15 0.52 0.86 -0.54 0.00 0.00 0.00 174.94 175.63 2jyc s LYS 146 N 0.85 4.61 -0.19 2.79 -0.14 0.12 -4.90 119.74 122.87 2jyc s LYS 146 Ca -0.05 1.26 0.01 0.00 -1.36 0.00 0.00 55.97 55.83 2jyc s LYS 146 Cb -0.15 -3.07 0.02 0.00 -1.68 0.00 0.00 37.83 32.95 2jyc s LYS 146 CO -0.01 0.45 -0.17 0.42 -0.76 0.00 0.00 175.35 175.27 2jyc s ILE 147 N -1.35 2.21 -0.25 2.17 -1.09 -0.78 -0.15 121.20 121.96 2jyc s ILE 147 Ca 0.43 -0.97 -0.06 0.00 -2.23 0.00 0.00 60.65 57.82 2jyc s ILE 147 Cb -0.22 -1.98 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 2jyc s ILE 147 CO 0.26 0.46 0.02 -0.89 -1.23 0.00 0.00 174.94 173.57 2jyc s THR 148 N 1.29 3.81 -0.23 2.92 2.01 0.14 0.07 115.64 125.64 2jyc s THR 148 Ca 0.04 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 2jyc s THR 148 Cb -0.14 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2jyc s THR 148 CO -0.11 0.30 0.01 -0.69 -0.69 0.00 0.00 174.62 173.44 2jyc s VAL 149 N 1.52 3.86 0.08 3.82 1.01 0.73 -0.29 120.40 131.14 2jyc s VAL 149 Ca 0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2jyc s VAL 149 Cb -0.15 -2.78 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 2jyc s VAL 149 CO 0.00 0.39 0.44 -0.31 0.00 0.00 0.00 175.10 175.63 2jyc s TYR 150 N 1.46 3.63 -0.25 5.22 1.51 0.06 -0.50 117.35 128.47 2jyc s TYR 150 Ca 0.05 0.92 -0.18 0.00 -1.01 0.00 0.00 57.07 56.85 2jyc s TYR 150 Cb -0.15 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 2jyc s TYR 150 CO 0.00 0.53 0.54 0.95 -1.11 0.00 0.00 175.55 176.46 2jyc s THR 151 N -1.34 5.06 0.00 -0.71 -4.23 -0.34 -0.45 115.64 113.63 2jyc s THR 151 Ca 0.32 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 2jyc s THR 151 Cb -0.15 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2jyc s THR 151 CO 0.17 0.08 0.00 -0.11 -0.54 0.00 0.00 174.62 174.22