#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyc s ASP 2 N 0.00 2.73 -0.27 0.00 1.01 -1.26 -5.02 116.67 113.85 1jyc s ASP 2 Ca 0.00 1.75 0.00 0.00 0.71 0.00 0.00 52.55 55.01 1jyc s ASP 2 Cb 0.00 -2.36 0.05 0.00 1.01 0.00 0.00 42.92 41.62 1jyc s ASP 2 CO 0.00 -3.15 -0.06 -0.89 0.21 0.00 0.00 175.17 171.28 1jyc s THR 3 N -2.72 2.58 0.05 -1.27 2.01 -1.26 -5.02 115.64 110.02 1jyc s THR 3 Ca 0.66 -1.45 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1jyc s THR 3 Cb -0.21 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1jyc s THR 3 CO 0.59 -0.03 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.76 1jyc s ILE 4 N 1.19 3.33 -0.04 1.82 -1.09 -1.26 -3.53 121.20 121.62 1jyc s ILE 4 Ca -0.06 -1.06 -0.02 0.00 -2.23 0.00 0.00 60.65 57.29 1jyc s ILE 4 Cb -0.19 -2.48 0.03 0.00 -1.58 0.00 0.00 42.46 38.24 1jyc s ILE 4 CO -0.03 0.28 0.05 -0.69 -1.23 0.00 0.00 174.94 173.32 1jyc s VAL 5 N -1.06 -0.08 0.07 2.92 1.01 -0.92 -0.67 120.40 121.68 1jyc s VAL 5 Ca 0.18 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 1jyc s VAL 5 Cb -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1jyc s VAL 5 CO 0.09 0.17 0.14 0.00 0.00 0.00 0.00 175.10 175.51 1jyc s ALA 6 N 2.02 -0.11 -0.24 5.51 0.00 -0.44 -0.91 121.76 127.58 1jyc s ALA 6 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1jyc s ALA 6 Cb -0.12 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.43 1jyc s ALA 6 CO -0.03 -0.44 -0.12 0.08 0.00 0.00 0.00 175.76 175.25 1jyc s VAL 7 N -3.48 2.23 0.06 0.00 1.01 -0.05 -0.26 120.40 119.89 1jyc s VAL 7 Ca 0.02 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1jyc s VAL 7 Cb 0.04 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1jyc s VAL 7 CO -0.09 0.10 0.27 -1.83 0.00 0.00 0.00 175.10 173.55 1jyc s GLU 8 N 1.16 3.53 -0.80 2.72 -1.05 0.14 -1.29 118.70 123.12 1jyc s GLU 8 Ca -0.05 -0.22 0.02 0.00 -0.15 0.00 0.00 54.97 54.57 1jyc s GLU 8 Cb -0.18 -3.01 0.19 0.00 -0.44 0.00 0.00 34.13 30.69 1jyc s GLU 8 CO -0.06 0.59 0.63 -0.51 0.95 0.00 0.00 175.26 176.86 1jyc s LEU 9 N -2.23 5.17 -0.32 1.83 1.02 0.27 -1.93 118.68 122.50 1jyc s LEU 9 Ca 0.33 -3.81 -0.29 0.00 0.02 0.00 0.00 54.13 50.38 1jyc s LEU 9 Cb -0.13 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.32 1jyc s LEU 9 CO 0.22 -0.13 1.33 -0.62 0.02 0.00 0.00 176.35 177.17 1jyc s ASP 10 N -0.86 6.61 0.16 2.29 -1.08 -0.49 -2.18 116.67 121.12 1jyc s ASP 10 Ca 0.26 1.15 0.23 0.00 -0.52 0.00 0.00 52.55 53.67 1jyc s ASP 10 Cb -0.05 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.92 1jyc s ASP 10 CO -0.15 -1.14 1.06 0.35 0.52 0.00 0.00 175.17 175.81 1jyc n THR 11 N 6.36 0.48 -5.02 1.71 -2.24 -0.93 -1.80 114.28 112.85 1jyc n THR 11 Ca 0.15 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 1jyc n THR 11 Cb 0.47 -0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 68.32 1jyc n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jyc s TYR 12 N -3.31 2.10 -0.70 4.78 6.14 -1.25 -4.60 117.35 120.50 1jyc s TYR 12 Ca 0.01 -0.70 -0.24 0.00 0.64 0.00 0.00 57.07 56.77 1jyc s TYR 12 Cb 0.11 -1.41 0.05 0.00 0.42 0.00 0.00 41.96 41.14 1jyc s TYR 12 CO 0.78 -0.26 1.11 -1.25 0.64 0.00 0.00 175.55 176.58 1jyc s PRO 13 N 0.14 3.15 -1.14 4.97 0.04 -1.26 -4.95 135.00 135.95 1jyc s PRO 13 Ca -0.09 -0.59 -0.10 0.00 0.04 0.00 0.00 61.00 60.27 1jyc s PRO 13 Cb -0.14 -4.23 0.25 0.00 0.04 0.00 0.00 34.50 30.42 1jyc s PRO 13 CO 0.05 -1.97 1.23 0.09 0.04 0.00 0.00 177.00 176.44 1jyc n ASN 14 N 8.44 5.51 0.14 6.66 4.13 -1.26 -4.79 115.26 134.09 1jyc n ASN 14 Ca -0.00 -3.05 0.10 0.00 1.68 0.00 0.00 54.58 53.31 1jyc n ASN 14 Cb 0.47 -1.42 0.52 0.00 -1.54 0.00 0.00 39.78 37.81 1jyc n ASN 14 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1jyc n THR 15 N 3.04 1.09 1.39 3.41 -2.24 -1.26 -1.24 114.28 118.47 1jyc n THR 15 Ca 0.27 0.63 0.11 0.00 -2.27 0.00 0.00 64.05 62.79 1jyc n THR 15 Cb 0.39 -1.62 0.65 0.00 -2.10 0.00 0.00 70.33 67.66 1jyc n THR 15 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jyc n ASP 16 N -2.17 0.00 -0.79 3.42 5.68 -1.26 -3.29 116.55 118.13 1jyc n ASP 16 Ca -0.01 -0.71 -0.00 0.00 -0.50 0.00 0.00 54.79 53.57 1jyc n ASP 16 Cb 0.06 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 1jyc n ASP 16 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1jyc n ILE 17 N -0.99 0.00 0.00 2.12 -5.35 -0.38 -5.04 119.36 109.72 1jyc n ILE 17 Ca 0.16 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1jyc n ILE 17 Cb 0.07 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1jyc n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jyc n GLY 18 N 0.11 1.81 3.54 3.28 0.00 -1.20 -4.71 105.19 108.01 1jyc n GLY 18 Ca -0.03 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1jyc n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyc n ASP 19 N 0.08 0.52 -4.75 1.61 8.00 -1.11 -4.91 116.55 115.99 1jyc n ASP 19 Ca 0.00 1.08 -0.29 0.00 0.71 0.00 0.00 54.79 56.29 1jyc n ASP 19 Cb 0.00 -1.23 0.15 0.00 -0.02 0.00 0.00 41.12 40.02 1jyc n ASP 19 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1jyc s PRO 20 N -1.61 0.88 -0.20 -0.24 0.02 -1.26 -4.09 135.00 128.50 1jyc s PRO 20 Ca 0.61 0.37 -0.06 0.00 0.02 0.00 0.00 61.00 61.94 1jyc s PRO 20 Cb -0.67 -1.80 -0.19 0.00 0.02 0.00 0.00 34.50 31.86 1jyc s PRO 20 CO 0.58 -2.39 3.41 0.43 -0.33 0.00 0.00 177.00 178.70 1jyc n SER 21 N -3.92 5.72 -3.61 2.53 7.64 -1.26 -4.67 113.62 116.05 1jyc n SER 21 Ca 0.06 -2.64 -0.01 0.00 1.01 0.00 0.00 58.87 57.29 1jyc n SER 21 Cb 0.59 -1.39 -0.01 0.00 -1.01 0.00 0.00 64.21 62.38 1jyc n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1jyc s TYR 22 N 0.50 -0.04 0.37 1.43 -0.85 -1.26 -5.05 117.35 112.44 1jyc s TYR 22 Ca 0.65 0.01 -0.28 0.00 -0.52 0.00 0.00 57.07 56.93 1jyc s TYR 22 Cb 0.32 0.51 -0.11 0.00 0.38 0.00 0.00 41.96 43.06 1jyc s TYR 22 CO -0.05 -0.08 1.49 -2.30 -1.52 0.00 0.00 175.55 173.08 1jyc n PRO 23 N -0.17 2.65 -4.11 -3.49 -0.02 -1.26 -4.65 135.00 123.94 1jyc n PRO 23 Ca -0.00 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.29 1jyc n PRO 23 Cb 0.59 -2.66 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 1jyc n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1jyc s HIS 24 N -1.02 0.91 -0.03 6.00 -3.43 -0.74 -1.99 115.29 114.98 1jyc s HIS 24 Ca 0.54 -1.16 0.05 0.00 -0.80 0.00 0.00 55.06 53.70 1jyc s HIS 24 Cb -0.48 -0.21 -0.01 0.00 -1.43 0.00 0.00 32.58 30.45 1jyc s HIS 24 CO 0.62 -0.88 -0.18 0.42 -2.00 0.00 0.00 174.74 172.72 1jyc s ILE 25 N -3.83 1.48 0.25 -5.38 1.01 -0.36 -1.39 121.20 112.99 1jyc s ILE 25 Ca 0.32 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1jyc s ILE 25 Cb 0.02 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 1jyc s ILE 25 CO 0.14 0.42 0.47 -0.83 0.00 0.00 0.00 174.94 175.14 1jyc s GLY 26 N -0.17 0.64 -0.25 6.18 0.00 -0.81 -1.17 107.32 111.74 1jyc s GLY 26 Ca 0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 1jyc s GLY 26 CO 0.01 -0.68 -0.01 -0.42 0.00 0.00 0.00 173.10 172.00 1jyc s ILE 27 N -3.92 3.46 -0.13 0.90 1.01 -0.75 -0.68 121.20 121.08 1jyc s ILE 27 Ca 0.24 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1jyc s ILE 27 Cb -0.00 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1jyc s ILE 27 CO 0.10 0.29 -0.01 -1.81 0.00 0.00 0.00 174.94 173.50 1jyc s ASP 28 N 1.46 5.03 -0.38 3.58 1.01 0.64 -0.69 116.67 127.31 1jyc s ASP 28 Ca 0.04 -0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.31 1jyc s ASP 28 Cb -0.15 -1.68 0.11 0.00 1.01 0.00 0.00 42.92 42.20 1jyc s ASP 28 CO -0.02 0.24 0.12 -0.63 0.21 0.00 0.00 175.17 175.10 1jyc s ILE 29 N -0.06 1.92 -1.04 0.77 -1.09 -1.26 -1.33 121.20 119.11 1jyc s ILE 29 Ca 0.03 -2.35 0.00 0.00 -2.23 0.00 0.00 60.65 56.10 1jyc s ILE 29 Cb -0.13 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1jyc s ILE 29 CO 0.02 -0.69 0.00 0.29 -1.23 0.00 0.00 174.94 173.33 1jyc n LYS 30 N 4.08 -1.48 -3.61 2.79 5.02 0.16 -4.94 118.16 120.17 1jyc n LYS 30 Ca 0.03 0.82 -0.15 0.00 -2.02 0.00 0.00 58.31 56.99 1jyc n LYS 30 Cb 0.39 -5.10 -0.07 0.00 -0.02 0.00 0.00 35.03 30.23 1jyc n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jyc s SER 31 N -2.44 -0.67 0.45 4.39 0.15 -1.26 -4.94 113.70 109.38 1jyc s SER 31 Ca 0.00 1.13 0.31 0.00 0.70 0.00 0.00 55.95 58.09 1jyc s SER 31 Cb 0.00 1.10 1.45 0.00 -1.71 0.00 0.00 66.02 66.86 1jyc s SER 31 CO 0.00 -0.35 1.93 1.62 1.20 0.00 0.00 173.24 177.64 1jyc h VAL 32 N 3.76 0.00 -2.19 4.45 3.04 -1.87 -3.38 116.25 120.06 1jyc h VAL 32 Ca -0.28 -0.24 -0.61 0.00 -1.01 0.00 0.00 66.70 64.57 1jyc h VAL 32 Cb 1.16 1.07 -0.12 0.00 -2.01 0.00 0.00 31.29 31.38 1jyc h VAL 32 CO 0.18 0.00 0.96 -0.13 -1.01 0.00 0.00 177.57 177.57 1jyc s ARG 33 N -3.65 3.32 0.33 4.17 0.52 -1.26 -4.99 118.95 117.40 1jyc s ARG 33 Ca 0.00 -0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 54.08 1jyc s ARG 33 Cb 0.09 -4.58 -0.14 0.00 0.52 0.00 0.00 34.95 30.85 1jyc s ARG 33 CO 0.41 -2.00 0.69 0.43 0.02 0.00 0.00 175.30 174.85 1jyc n SER 34 N 8.27 -0.27 0.12 0.23 7.64 -1.26 -4.78 113.62 123.58 1jyc n SER 34 Ca 0.11 1.04 -0.00 0.00 1.01 0.00 0.00 58.87 61.03 1jyc n SER 34 Cb 0.48 -1.13 0.02 0.00 -1.01 0.00 0.00 64.21 62.57 1jyc n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jyc h LYS 35 N 1.22 0.00 -2.51 1.43 1.79 -1.25 -3.46 116.57 113.78 1jyc h LYS 35 Ca -0.37 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.00 1jyc h LYS 35 Cb 1.39 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.83 1jyc h LYS 35 CO 0.55 0.65 -0.07 0.21 -1.08 0.00 0.00 179.45 179.71 1jyc s LYS 36 N -2.97 0.76 0.17 3.15 2.20 -1.25 -5.04 119.74 116.76 1jyc s LYS 36 Ca 0.02 0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.92 1jyc s LYS 36 Cb 0.09 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 1jyc s LYS 36 CO 0.76 -0.18 0.12 0.95 -0.36 0.00 0.00 175.35 176.64 1jyc s THR 37 N -0.65 0.05 -0.10 3.43 -4.23 -1.26 -1.82 115.64 111.06 1jyc s THR 37 Ca -0.07 -1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 1jyc s THR 37 Cb -0.03 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.59 1jyc s THR 37 CO 0.04 -0.23 0.34 0.00 -0.54 0.00 0.00 174.62 174.24 1jyc s ALA 38 N -4.09 -0.85 0.50 3.99 0.00 -0.32 -4.98 121.76 116.01 1jyc s ALA 38 Ca 0.30 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 1jyc s ALA 38 Cb 0.07 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1jyc s ALA 38 CO 0.07 -0.19 1.35 0.21 0.00 0.00 0.00 175.76 177.20 1jyc s LYS 39 N -0.19 3.39 -0.04 0.00 2.20 -1.26 -1.23 119.74 122.61 1jyc s LYS 39 Ca -0.03 2.22 -0.01 0.00 -0.36 0.00 0.00 55.97 57.79 1jyc s LYS 39 Cb -0.03 -2.40 0.03 0.00 -1.51 0.00 0.00 37.83 33.92 1jyc s LYS 39 CO 0.01 -0.99 0.02 -0.46 -0.36 0.00 0.00 175.35 173.58 1jyc s TRP 40 N -1.30 0.29 -1.26 4.03 -0.00 -0.84 -4.75 118.94 115.11 1jyc s TRP 40 Ca 0.67 0.05 -0.12 0.00 -0.00 0.00 0.00 56.10 56.70 1jyc s TRP 40 Cb -0.40 -0.49 0.16 0.00 -0.00 0.00 0.00 33.47 32.74 1jyc s TRP 40 CO 0.48 -0.18 1.67 0.09 -0.00 0.00 0.00 176.95 179.02 1jyc n ASN 41 N 4.64 5.09 -4.68 5.86 5.03 -1.26 -4.47 115.26 125.48 1jyc n ASN 41 Ca -0.17 -3.02 -0.41 0.00 0.87 0.00 0.00 54.58 51.85 1jyc n ASN 41 Cb 0.50 -1.55 0.01 0.00 -1.02 0.00 0.00 39.78 37.72 1jyc n ASN 41 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1jyc n MET 42 N 5.11 1.77 -3.84 3.52 0.00 -1.26 -4.98 117.12 117.44 1jyc n MET 42 Ca 0.40 0.63 -0.29 0.00 -0.00 0.00 0.00 57.70 58.43 1jyc n MET 42 Cb 0.40 -2.28 -0.13 0.00 0.00 0.00 0.00 33.22 31.21 1jyc n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1jyc s GLN 43 N -2.13 1.88 0.21 2.12 -0.21 -1.26 -5.09 119.66 115.18 1jyc s GLN 43 Ca 0.61 -2.64 -0.32 0.00 0.02 0.00 0.00 55.36 53.04 1jyc s GLN 43 Cb -0.53 -2.99 -0.15 0.00 1.00 0.00 0.00 33.01 30.34 1jyc s GLN 43 CO 0.58 -1.19 1.18 -1.71 -2.12 0.00 0.00 175.29 172.03 1jyc n ASN 44 N 2.89 1.58 0.00 5.90 5.15 -1.26 -2.14 115.26 127.37 1jyc n ASN 44 Ca 0.11 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.24 1jyc n ASN 44 Cb 0.34 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 1jyc n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jyc n GLY 45 N 1.89 2.82 3.59 8.20 0.00 -0.80 -4.99 105.19 115.91 1jyc n GLY 45 Ca 0.13 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1jyc n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jyc s LYS 46 N 0.00 2.09 0.09 1.61 2.47 -0.91 -4.92 119.74 120.17 1jyc s LYS 46 Ca 0.00 -1.57 -0.31 0.00 -1.56 0.00 0.00 55.97 52.54 1jyc s LYS 46 Cb 0.00 -2.02 -0.07 0.00 -1.46 0.00 0.00 37.83 34.28 1jyc s LYS 46 CO 0.00 0.32 1.35 0.08 0.16 0.00 0.00 175.35 177.26 1jyc s VAL 47 N -2.41 3.51 0.46 4.02 1.01 -1.26 -4.39 120.40 121.35 1jyc s VAL 47 Ca 0.32 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.40 1jyc s VAL 47 Cb -0.05 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1jyc s VAL 47 CO 0.18 0.07 0.01 -0.83 0.00 0.00 0.00 175.10 174.54 1jyc s GLY 48 N 1.20 2.78 0.02 4.51 0.00 -0.59 -4.49 107.32 110.75 1jyc s GLY 48 Ca 0.63 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1jyc s GLY 48 CO 0.29 -2.13 -0.10 -1.59 0.00 0.00 0.00 173.10 169.57 1jyc s THR 49 N -2.84 0.75 -0.07 0.90 2.01 -0.25 -2.13 115.64 114.01 1jyc s THR 49 Ca 0.19 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1jyc s THR 49 Cb 0.05 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.89 1jyc s THR 49 CO 0.10 -0.03 -0.10 0.00 -0.69 0.00 0.00 174.62 173.90 1jyc s ALA 50 N -0.70 1.15 -0.11 7.40 0.00 -0.38 -1.43 121.76 127.70 1jyc s ALA 50 Ca -0.01 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1jyc s ALA 50 Cb -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1jyc s ALA 50 CO 0.00 0.01 -0.23 -1.58 0.00 0.00 0.00 175.76 173.96 1jyc s HIS 51 N 0.87 2.55 -0.10 0.00 2.46 0.62 -2.01 115.29 119.68 1jyc s HIS 51 Ca -0.11 -1.09 0.02 0.00 0.47 0.00 0.00 55.06 54.35 1jyc s HIS 51 Cb -0.15 -1.71 0.02 0.00 -0.13 0.00 0.00 32.58 30.60 1jyc s HIS 51 CO 0.01 -0.45 -0.14 0.42 -2.47 0.00 0.00 174.74 172.12 1jyc s ILE 52 N 0.43 1.35 0.13 0.89 1.01 0.62 -0.48 121.20 125.16 1jyc s ILE 52 Ca -0.17 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 59.98 1jyc s ILE 52 Cb -0.18 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1jyc s ILE 52 CO 0.07 0.41 -0.13 0.27 0.00 0.00 0.00 174.94 175.56 1jyc s ILE 53 N 1.00 1.32 -0.26 2.92 -4.36 -0.25 -0.83 121.20 120.74 1jyc s ILE 53 Ca -0.07 -1.81 -0.25 0.00 -0.26 0.00 0.00 60.65 58.25 1jyc s ILE 53 Cb -0.15 -1.62 0.10 0.00 1.25 0.00 0.00 42.46 42.04 1jyc s ILE 53 CO -0.01 -0.49 0.87 -0.47 0.24 0.00 0.00 174.94 175.07 1jyc s TYR 54 N -2.42 -0.63 0.02 1.37 5.04 -1.01 -1.56 117.35 118.16 1jyc s TYR 54 Ca 0.11 1.50 -0.03 0.00 -2.44 0.00 0.00 57.07 56.21 1jyc s TYR 54 Cb -0.03 0.32 -0.01 0.00 0.35 0.00 0.00 41.96 42.59 1jyc s TYR 54 CO 0.03 -0.32 0.04 0.54 -1.34 0.00 0.00 175.55 174.50 1jyc s ASN 55 N 0.20 0.19 0.00 4.32 2.20 -1.26 -1.86 114.94 118.73 1jyc s ASN 55 Ca 0.01 -0.48 0.26 0.00 -0.94 0.00 0.00 52.86 51.70 1jyc s ASN 55 Cb -0.05 0.17 1.14 0.00 -2.00 0.00 0.00 41.25 40.51 1jyc s ASN 55 CO -0.02 -0.40 1.83 -1.54 -2.94 0.00 0.00 177.10 174.03 1jyc n SER 56 N 1.22 0.00 -0.04 3.54 3.41 0.76 -1.34 113.62 121.17 1jyc n SER 56 Ca -0.22 0.38 -0.12 0.00 -0.26 0.00 0.00 58.87 58.65 1jyc n SER 56 Cb 0.57 -0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 1jyc n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1jyc h VAL 57 N 0.00 1.46 0.00 -3.33 2.07 -1.89 -3.35 116.25 111.21 1jyc h VAL 57 Ca 0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1jyc h VAL 57 Cb 0.40 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1jyc h VAL 57 CO 0.00 0.45 -0.84 0.44 0.02 0.00 0.00 177.57 177.64 1jyc h ASP 58 N -0.88 0.00 -6.42 0.57 3.32 -1.99 -3.48 116.42 107.55 1jyc h ASP 58 Ca -0.00 -0.01 -0.49 0.00 0.02 0.00 0.00 57.03 56.55 1jyc h ASP 58 Cb 0.76 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 1jyc h ASP 58 CO 0.00 0.01 -0.83 0.29 -1.72 0.00 0.00 179.24 176.99 1jyc n LYS 59 N -2.70 -4.16 -4.32 3.56 5.02 -0.45 -4.90 118.16 110.22 1jyc n LYS 59 Ca 0.01 0.49 -0.30 0.00 -2.02 0.00 0.00 58.31 56.49 1jyc n LYS 59 Cb 0.54 -5.02 -0.17 0.00 -0.02 0.00 0.00 35.03 30.37 1jyc n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jyc s ARG 60 N -6.53 2.34 -0.27 1.97 3.52 -1.25 -1.38 118.95 117.35 1jyc s ARG 60 Ca 0.32 -0.59 -0.15 0.00 -0.13 0.00 0.00 55.73 55.18 1jyc s ARG 60 Cb -0.17 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 1jyc s ARG 60 CO 0.87 -0.12 0.37 -1.17 -0.81 0.00 0.00 175.30 174.44 1jyc s LEU 61 N 1.15 4.04 0.11 -0.88 2.96 -0.24 -4.20 118.68 121.63 1jyc s LEU 61 Ca -0.02 0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.25 1jyc s LEU 61 Cb -0.14 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1jyc s LEU 61 CO -0.05 -0.18 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.19 1jyc s SER 62 N 1.63 2.23 0.03 3.68 0.01 -0.60 -1.24 113.70 119.44 1jyc s SER 62 Ca 0.15 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.69 1jyc s SER 62 Cb -0.16 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 1jyc s SER 62 CO 0.10 -0.04 -0.05 0.00 0.41 0.00 0.00 173.24 173.67 1jyc s ALA 63 N -1.56 0.29 -0.02 1.44 0.00 0.21 -1.09 121.76 121.03 1jyc s ALA 63 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1jyc s ALA 63 Cb -0.08 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1jyc s ALA 63 CO 0.04 -0.13 -0.06 0.08 0.00 0.00 0.00 175.76 175.69 1jyc s VAL 64 N -1.58 0.53 -0.04 0.00 1.01 0.37 -2.25 120.40 118.44 1jyc s VAL 64 Ca -0.13 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1jyc s VAL 64 Cb -0.09 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1jyc s VAL 64 CO -0.01 0.18 -0.03 -0.69 0.00 0.00 0.00 175.10 174.55 1jyc s VAL 65 N 0.31 0.41 0.23 2.92 1.01 -0.69 -0.28 120.40 124.31 1jyc s VAL 65 Ca -0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 1jyc s VAL 65 Cb -0.08 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 1jyc s VAL 65 CO -0.00 0.19 0.46 -0.94 0.00 0.00 0.00 175.10 174.81 1jyc s SER 66 N 0.89 -0.10 -0.03 3.32 1.04 -0.51 -0.95 113.70 117.36 1jyc s SER 66 Ca -0.11 -0.86 0.07 0.00 0.48 0.00 0.00 55.95 55.53 1jyc s SER 66 Cb -0.14 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1jyc s SER 66 CO -0.00 -1.09 -0.23 -0.31 0.98 0.00 0.00 173.24 172.58 1jyc s TYR 67 N -3.99 2.15 -0.17 5.02 2.02 -1.26 -1.09 117.35 120.03 1jyc s TYR 67 Ca 0.20 -0.48 -0.37 0.00 -0.37 0.00 0.00 57.07 56.05 1jyc s TYR 67 Cb -0.00 -1.40 -0.14 0.00 -0.40 0.00 0.00 41.96 40.02 1jyc s TYR 67 CO 0.06 -0.09 1.81 -0.35 -1.57 0.00 0.00 175.55 175.41 1jyc n PRO 68 N 2.66 1.69 -1.00 -1.71 -0.04 -1.26 -1.16 135.00 134.17 1jyc n PRO 68 Ca -0.16 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1jyc n PRO 68 Cb 0.52 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1jyc n PRO 68 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jyc n ASN 69 N 5.98 -0.57 -3.10 3.54 4.13 -1.26 -5.02 115.26 118.95 1jyc n ASN 69 Ca 0.24 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.41 1jyc n ASN 69 Cb 0.22 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 1jyc n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jyc n ALA 70 N 1.00 0.35 -2.29 5.41 0.00 -0.31 -5.11 120.51 119.55 1jyc n ALA 70 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 1jyc n ALA 70 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1jyc n ALA 70 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jyc s ASP 71 N -2.27 6.42 0.18 0.00 2.15 -1.26 -4.72 116.67 117.17 1jyc s ASP 71 Ca 0.14 0.96 0.07 0.00 0.43 0.00 0.00 52.55 54.15 1jyc s ASP 71 Cb -0.01 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 1jyc s ASP 71 CO 0.09 -0.41 0.05 -0.94 -0.17 0.00 0.00 175.17 173.79 1jyc s SER 72 N -3.47 5.02 -0.03 -0.34 1.04 -1.26 -4.38 113.70 110.28 1jyc s SER 72 Ca 0.48 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.61 1jyc s SER 72 Cb -0.10 -1.16 -0.03 0.00 0.10 0.00 0.00 66.02 64.83 1jyc s SER 72 CO 0.35 0.08 -0.04 0.00 0.98 0.00 0.00 173.24 174.61 1jyc s ALA 73 N -1.77 3.11 0.03 5.32 0.00 -0.13 -4.96 121.76 123.36 1jyc s ALA 73 Ca 0.29 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.36 1jyc s ALA 73 Cb -0.09 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1jyc s ALA 73 CO 0.20 0.60 -0.13 0.99 0.00 0.00 0.00 175.76 177.43 1jyc s THR 74 N -0.94 1.03 -0.09 0.00 2.01 -1.26 -1.70 115.64 114.70 1jyc s THR 74 Ca 0.16 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 1jyc s THR 74 Cb -0.11 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.49 1jyc s THR 74 CO 0.05 0.04 0.23 0.54 -0.69 0.00 0.00 174.62 174.80 1jyc s VAL 75 N -0.74 -0.00 0.02 3.82 0.11 -0.95 -4.74 120.40 117.92 1jyc s VAL 75 Ca 0.02 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.01 1jyc s VAL 75 Cb -0.07 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1jyc s VAL 75 CO 0.01 0.00 0.11 -0.44 -3.33 0.00 0.00 175.10 171.46 1jyc s SER 76 N 0.21 0.10 -0.19 3.54 0.01 -1.26 -0.62 113.70 115.49 1jyc s SER 76 Ca -0.01 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 56.74 1jyc s SER 76 Cb -0.02 0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.47 1jyc s SER 76 CO -0.00 -0.43 0.49 -0.47 0.41 0.00 0.00 173.24 173.24 1jyc s TYR 77 N -1.95 -0.61 -0.26 2.43 5.04 -0.37 -4.95 117.35 116.67 1jyc s TYR 77 Ca -0.10 1.40 -0.26 0.00 -2.44 0.00 0.00 57.07 55.67 1jyc s TYR 77 Cb -0.05 0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.52 1jyc s TYR 77 CO -0.01 -0.31 0.92 -0.51 -1.34 0.00 0.00 175.55 174.30 1jyc s ASP 78 N 0.70 6.90 -0.13 4.32 1.01 -1.26 -1.08 116.67 127.13 1jyc s ASP 78 Ca -0.04 1.08 -0.10 0.00 0.71 0.00 0.00 52.55 54.20 1jyc s ASP 78 Cb -0.05 -2.48 0.04 0.00 1.01 0.00 0.00 42.92 41.44 1jyc s ASP 78 CO -0.05 -0.63 0.33 0.54 0.21 0.00 0.00 175.17 175.57 1jyc s VAL 79 N 3.09 -0.01 -1.04 -1.27 0.11 -0.48 -4.98 120.40 115.82 1jyc s VAL 79 Ca 0.39 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.36 1jyc s VAL 79 Cb -0.15 -0.48 0.22 0.00 -1.53 0.00 0.00 36.38 34.45 1jyc s VAL 79 CO 0.09 0.02 1.10 -0.62 -3.33 0.00 0.00 175.10 172.36 1jyc s ASP 80 N 0.60 7.06 0.64 3.54 2.15 -1.26 -4.44 116.67 124.96 1jyc s ASP 80 Ca -0.03 -3.07 0.18 0.00 0.43 0.00 0.00 52.55 50.05 1jyc s ASP 80 Cb -0.05 -2.27 0.85 0.00 -0.30 0.00 0.00 42.92 41.15 1jyc s ASP 80 CO -0.04 -0.55 1.45 -0.07 -0.17 0.00 0.00 175.17 175.80 1jyc h LEU 81 N 8.04 0.00 -0.96 -1.34 3.38 -1.98 -1.80 115.31 120.66 1jyc h LEU 81 Ca 0.19 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1jyc h LEU 81 Cb 0.93 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 1jyc h LEU 81 CO 1.01 0.00 0.61 0.44 0.09 0.00 0.00 178.44 180.59 1jyc h ASP 82 N 0.00 0.95 -0.60 -0.43 5.19 -1.90 -1.67 116.42 117.96 1jyc h ASP 82 Ca 0.11 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1jyc h ASP 82 Cb 1.65 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.94 1jyc h ASP 82 CO -0.00 0.59 0.08 0.59 -3.12 0.00 0.00 179.24 177.37 1jyc n ASN 83 N -4.56 5.37 0.00 6.45 3.02 -0.67 -4.42 115.26 120.45 1jyc n ASN 83 Ca 0.15 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.72 1jyc n ASN 83 Cb 0.21 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1jyc n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jyc n VAL 84 N 0.40 0.00 -4.26 2.41 0.31 -0.96 -5.08 118.33 111.15 1jyc n VAL 84 Ca 0.31 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.40 1jyc n VAL 84 Cb 1.23 -0.42 -0.07 0.00 -0.91 0.00 0.00 33.84 33.66 1jyc n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jyc s LEU 85 N -4.43 3.26 0.63 7.52 1.43 -0.67 -4.96 118.68 121.46 1jyc s LEU 85 Ca 0.00 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 1jyc s LEU 85 Cb 0.00 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1jyc s LEU 85 CO 0.00 0.02 1.03 -2.16 0.23 0.00 0.00 176.35 175.47 1jyc s PRO 86 N -3.50 3.54 0.52 1.29 0.04 -1.26 -4.77 135.00 130.85 1jyc s PRO 86 Ca 0.30 0.72 0.24 0.00 0.04 0.00 0.00 61.00 62.30 1jyc s PRO 86 Cb -0.07 -2.08 1.41 0.00 0.04 0.00 0.00 34.50 33.80 1jyc s PRO 86 CO 0.20 -0.60 2.10 1.05 0.04 0.00 0.00 177.00 179.78 1jyc h GLU 87 N -0.34 0.00 -5.24 4.56 4.11 -1.91 -3.39 114.58 112.37 1jyc h GLU 87 Ca -0.44 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.34 1jyc h GLU 87 Cb 1.20 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 1jyc h GLU 87 CO 0.62 0.10 -0.71 -1.58 0.07 0.00 0.00 179.01 177.52 1jyc s TRP 88 N -4.45 2.95 0.25 2.06 0.52 -1.26 -1.74 118.94 117.26 1jyc s TRP 88 Ca -0.04 -0.53 0.06 0.00 0.02 0.00 0.00 56.10 55.61 1jyc s TRP 88 Cb 0.14 -1.96 -0.02 0.00 -1.15 0.00 0.00 33.47 30.48 1jyc s TRP 88 CO 0.61 -0.19 0.21 1.33 0.02 0.00 0.00 176.95 178.92 1jyc n VAL 89 N 3.80 0.00 -4.23 4.03 0.24 -0.53 -4.46 118.33 117.18 1jyc n VAL 89 Ca -0.18 -1.82 -0.18 0.00 -2.04 0.00 0.00 64.34 60.13 1jyc n VAL 89 Cb 0.52 0.91 -0.13 0.00 -1.47 0.00 0.00 33.84 33.67 1jyc n VAL 89 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1jyc s ARG 90 N -3.01 0.76 0.11 7.34 3.52 -0.42 0.01 118.95 127.25 1jyc s ARG 90 Ca 0.30 -0.72 0.09 0.00 -0.13 0.00 0.00 55.73 55.27 1jyc s ARG 90 Cb 0.01 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.66 1jyc s ARG 90 CO 0.21 0.17 -0.19 0.14 -0.81 0.00 0.00 175.30 174.81 1jyc s VAL 91 N -0.96 2.75 0.15 7.11 -7.23 -1.26 -1.37 120.40 119.59 1jyc s VAL 91 Ca -0.02 -1.51 -0.14 0.00 -1.81 0.00 0.00 61.98 58.50 1jyc s VAL 91 Cb -0.08 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.67 1jyc s VAL 91 CO 0.01 0.12 0.67 0.61 -0.31 0.00 0.00 175.10 176.20 1jyc n GLY 92 N 0.88 0.92 3.32 2.32 0.00 -0.37 -1.12 105.19 111.14 1jyc n GLY 92 Ca -0.16 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 1jyc n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyc s LEU 93 N 0.00 2.07 0.10 0.99 1.43 0.75 -1.42 118.68 122.60 1jyc s LEU 93 Ca 0.15 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1jyc s LEU 93 Cb -0.02 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1jyc s LEU 93 CO 0.05 0.31 -0.13 -0.55 0.23 0.00 0.00 176.35 176.25 1jyc s SER 94 N -0.72 1.78 0.15 2.29 0.15 -0.32 -1.26 113.70 115.78 1jyc s SER 94 Ca 0.10 -0.74 -0.22 0.00 0.70 0.00 0.00 55.95 55.79 1jyc s SER 94 Cb -0.10 -0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.23 1jyc s SER 94 CO -0.00 -0.14 0.56 0.00 1.20 0.00 0.00 173.24 174.85 1jyc s ALA 95 N -1.90 -1.47 0.13 5.45 0.00 -1.06 -0.79 121.76 122.12 1jyc s ALA 95 Ca 0.04 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 1jyc s ALA 95 Cb -0.06 0.85 0.07 0.00 0.00 0.00 0.00 23.12 23.97 1jyc s ALA 95 CO 0.02 -0.74 0.84 -1.54 0.00 0.00 0.00 175.76 174.34 1jyc s SER 96 N -2.75 -0.31 0.31 0.00 1.04 -1.13 -2.83 113.70 108.03 1jyc s SER 96 Ca 0.01 -0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.26 1jyc s SER 96 Cb -0.00 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 1jyc s SER 96 CO -0.13 -0.90 0.23 0.35 0.98 0.00 0.00 173.24 173.77 1jyc n THR 97 N -0.39 0.00 0.00 2.02 -2.24 -0.55 -0.63 114.28 112.49 1jyc n THR 97 Ca -0.08 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.53 1jyc n THR 97 Cb 0.61 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1jyc n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jyc n GLY 98 N -0.56 1.03 0.09 3.38 0.00 -1.26 -0.91 105.19 106.96 1jyc n GLY 98 Ca 0.05 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 1jyc n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jyc h LEU 99 N 0.00 0.16-10.08 0.99 5.85 -1.95 -1.90 115.31 108.38 1jyc h LEU 99 Ca 0.00 -0.14 -0.51 0.00 0.84 0.00 0.00 57.88 58.07 1jyc h LEU 99 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1jyc h LEU 99 CO 0.00 0.25 -0.46 -0.31 -0.34 0.00 0.00 178.44 177.59 1jyc s TYR 100 N -5.64 3.45 0.40 1.25 2.02 -1.26 -4.91 117.35 112.65 1jyc s TYR 100 Ca -0.14 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 1jyc s TYR 100 Cb 0.06 -1.62 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1jyc s TYR 100 CO 0.69 0.49 0.16 0.36 -1.57 0.00 0.00 175.55 175.68 1jyc n LYS 101 N -0.85 0.56 -3.61 -0.62 2.85 -1.25 -4.41 118.16 110.83 1jyc n LYS 101 Ca -0.08 -3.41 -0.02 0.00 -1.05 0.00 0.00 58.31 53.75 1jyc n LYS 101 Cb 0.55 1.97 -0.02 0.00 -0.65 0.00 0.00 35.03 36.89 1jyc n LYS 101 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1jyc s GLU 102 N -3.52 0.23 0.26 -1.58 -1.05 -1.21 -2.93 118.70 108.90 1jyc s GLU 102 Ca 0.23 -0.10 -0.13 0.00 -0.15 0.00 0.00 54.97 54.82 1jyc s GLU 102 Cb 0.01 0.10 -0.08 0.00 -0.44 0.00 0.00 34.13 33.72 1jyc s GLU 102 CO 0.16 -0.10 0.64 0.95 0.95 0.00 0.00 175.26 177.86 1jyc s THR 103 N -2.29 4.80 -0.53 1.83 -4.23 0.15 -4.72 115.64 110.65 1jyc s THR 103 Ca 0.11 0.75 0.06 0.00 -1.18 0.00 0.00 61.69 61.43 1jyc s THR 103 Cb 0.01 -3.63 0.24 0.00 1.34 0.00 0.00 72.50 70.45 1jyc s THR 103 CO -0.04 -0.09 0.60 0.59 -0.54 0.00 0.00 174.62 175.15 1jyc n ASN 104 N -0.13 2.00 -4.70 3.99 4.13 -1.26 -3.87 115.26 115.42 1jyc n ASN 104 Ca 0.01 -3.05 -0.39 0.00 1.68 0.00 0.00 54.58 52.83 1jyc n ASN 104 Cb 0.53 -0.66 -0.06 0.00 -1.54 0.00 0.00 39.78 38.05 1jyc n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1jyc s THR 105 N -1.69 5.11 -0.26 3.41 2.01 -1.18 -2.38 115.64 120.67 1jyc s THR 105 Ca 0.36 1.14 -0.08 0.00 0.31 0.00 0.00 61.69 63.42 1jyc s THR 105 Cb 0.13 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1jyc s THR 105 CO -0.08 0.25 0.09 -0.63 -0.69 0.00 0.00 174.62 173.55 1jyc s ILE 106 N 1.03 4.41 -0.13 1.82 -1.09 0.17 -0.64 121.20 126.78 1jyc s ILE 106 Ca 0.29 -0.17 0.18 0.00 -2.23 0.00 0.00 60.65 58.72 1jyc s ILE 106 Cb -0.16 -3.09 -0.15 0.00 -1.58 0.00 0.00 42.46 37.48 1jyc s ILE 106 CO 0.12 0.30 0.75 0.18 -1.23 0.00 0.00 174.94 175.07 1jyc n LEU 107 N 4.94 0.72 -3.51 2.97 4.32 -0.13 -1.27 117.00 125.04 1jyc n LEU 107 Ca -0.16 0.31 -0.11 0.00 -0.02 0.00 0.00 56.01 56.03 1jyc n LEU 107 Cb 0.51 0.09 -0.04 0.00 -1.62 0.00 0.00 43.42 42.37 1jyc n LEU 107 CO 0.31 0.14 0.61 -0.94 -1.22 0.00 0.00 177.39 176.29 1jyc s SER 108 N -5.63 -0.46 -0.24 -1.43 1.04 -1.24 -4.60 113.70 101.14 1jyc s SER 108 Ca -0.04 0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.50 1jyc s SER 108 Cb 0.09 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.72 1jyc s SER 108 CO 0.82 -0.61 0.59 0.86 0.98 0.00 0.00 173.24 175.87 1jyc s TRP 109 N -2.36 -0.94 0.06 5.02 -0.00 -0.06 -1.94 118.94 118.72 1jyc s TRP 109 Ca -0.01 1.87 0.04 0.00 -0.00 0.00 0.00 56.10 58.01 1jyc s TRP 109 Cb -0.01 0.53 -0.03 0.00 -0.00 0.00 0.00 33.47 33.96 1jyc s TRP 109 CO -0.03 -0.48 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.77 1jyc s SER 110 N 1.73 1.37 -0.01 5.86 1.04 -0.20 0.45 113.70 123.94 1jyc s SER 110 Ca -0.09 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 1jyc s SER 110 Cb -0.07 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1jyc s SER 110 CO -0.17 -0.11 0.05 0.12 0.98 0.00 0.00 173.24 174.11 1jyc s PHE 111 N -1.25 0.01 -0.03 5.02 5.36 -0.16 -1.72 117.98 125.20 1jyc s PHE 111 Ca -0.04 -0.01 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1jyc s PHE 111 Cb -0.10 -0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.59 1jyc s PHE 111 CO 0.02 -0.09 0.06 0.99 -1.46 0.00 0.00 175.22 174.74 1jyc s THR 112 N -0.41 -0.05 -0.01 0.12 2.01 -0.65 -1.46 115.64 115.19 1jyc s THR 112 Ca -0.05 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.16 1jyc s THR 112 Cb -0.03 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 1jyc s THR 112 CO 0.00 0.08 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.37 1jyc s SER 113 N 0.99 1.00 -0.01 3.53 0.15 -0.22 -1.04 113.70 118.10 1jyc s SER 113 Ca -0.08 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 1jyc s SER 113 Cb -0.11 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1jyc s SER 113 CO -0.03 0.10 0.02 -0.54 1.20 0.00 0.00 173.24 173.99 1jyc s LYS 114 N -0.18 0.03 -0.13 5.44 1.02 -0.00 -1.25 119.74 124.67 1jyc s LYS 114 Ca 0.03 0.02 -0.03 0.00 0.02 0.00 0.00 55.97 56.01 1jyc s LYS 114 Cb -0.03 0.02 0.05 0.00 -0.52 0.00 0.00 37.83 37.34 1jyc s LYS 114 CO -0.00 -0.00 0.06 -1.17 -0.92 0.00 0.00 175.35 173.31 1jyc s LEU 115 N -0.02 0.47 -0.38 3.17 2.96 0.34 -1.48 118.68 123.73 1jyc s LEU 115 Ca -0.00 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.41 1jyc s LEU 115 Cb -0.00 -0.30 0.03 0.00 0.50 0.00 0.00 46.19 46.41 1jyc s LEU 115 CO 0.00 -0.29 0.21 -1.59 -1.32 0.00 0.00 176.35 173.36 1jyc s LYS 116 N 2.08 2.83 0.85 1.98 -2.85 -0.38 -0.61 119.74 123.64 1jyc s LYS 116 Ca 0.03 -1.08 -0.12 0.00 -1.00 0.00 0.00 55.97 53.80 1jyc s LYS 116 Cb -0.15 -3.74 0.10 0.00 -2.06 0.00 0.00 37.83 31.98 1jyc s LYS 116 CO -0.07 -0.70 1.11 -1.54 0.10 0.00 0.00 175.35 174.25 1jyc s SER 117 N 1.56 4.05 -0.51 0.03 1.04 -0.76 -0.89 113.70 118.22 1jyc s SER 117 Ca 0.02 1.24 -0.05 0.00 0.48 0.00 0.00 55.95 57.63 1jyc s SER 117 Cb -0.19 -1.92 -0.13 0.00 0.10 0.00 0.00 66.02 63.88 1jyc s SER 117 CO 0.07 -2.24 2.51 0.59 0.98 0.00 0.00 173.24 175.14 1jyc n ASN 118 N -3.60 4.69 -0.18 7.02 3.02 -0.64 -1.73 115.26 123.84 1jyc n ASN 118 Ca 0.07 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 1jyc n ASN 118 Cb 0.57 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1jyc n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jyc n SER 119 N 3.28 0.00 -0.49 6.41 7.64 -1.26 -5.08 113.62 124.12 1jyc n SER 119 Ca 0.41 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1jyc n SER 119 Cb 0.41 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1jyc n SER 119 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1jyc n THR 120 N 0.00 0.00 0.00 0.44 -2.24 -0.71 -4.20 114.28 107.57 1jyc n THR 120 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jyc n THR 120 Cb 0.55 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1jyc n THR 120 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jyc n HIS 121 N 0.46 0.00 -1.50 4.78 8.25 -1.26 -4.97 115.22 120.98 1jyc n HIS 121 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 1jyc n HIS 121 Cb 0.00 0.00 -0.20 0.00 1.12 0.00 0.00 29.99 30.91 1jyc n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1jyc n GLU 122 N 0.00 0.00 -4.39 -0.41 -0.58 -1.26 -4.77 120.64 109.23 1jyc n GLU 122 Ca 0.00 -0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 1jyc n GLU 122 Cb 0.00 -1.18 -0.11 0.00 -0.57 0.00 0.00 31.44 29.59 1jyc n GLU 122 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1jyc s THR 123 N 3.09 4.13 -0.09 2.62 2.01 -1.26 -1.82 115.64 124.32 1jyc s THR 123 Ca 1.33 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1jyc s THR 123 Cb -0.99 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1jyc s THR 123 CO 0.54 0.56 -0.09 0.20 -0.69 0.00 0.00 174.62 175.14 1jyc s ASN 124 N -0.37 4.45 0.03 3.53 -0.87 0.22 -4.94 114.94 117.00 1jyc s ASN 124 Ca 0.07 -0.12 -0.00 0.00 -1.57 0.00 0.00 52.86 51.24 1jyc s ASN 124 Cb -0.12 -1.27 -0.03 0.00 -0.02 0.00 0.00 41.25 39.81 1jyc s ASN 124 CO 0.02 0.30 -0.04 0.00 -2.57 0.00 0.00 177.10 174.81 1jyc s ALA 125 N -0.42 0.30 -0.01 0.60 0.00 -1.26 -0.51 121.76 120.45 1jyc s ALA 125 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1jyc s ALA 125 Cb -0.12 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1jyc s ALA 125 CO 0.02 -0.21 0.00 -1.17 0.00 0.00 0.00 175.76 174.40 1jyc s LEU 126 N -1.94 1.56 -0.13 0.00 2.96 -0.38 -4.99 118.68 115.75 1jyc s LEU 126 Ca -0.08 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 1jyc s LEU 126 Cb -0.04 -0.10 0.05 0.00 0.50 0.00 0.00 46.19 46.59 1jyc s LEU 126 CO -0.04 -0.05 0.32 -2.28 -1.32 0.00 0.00 176.35 172.98 1jyc s HIS 127 N 0.50 -0.45 0.05 5.38 5.65 -1.26 -1.05 115.29 124.11 1jyc s HIS 127 Ca -0.04 1.00 0.01 0.00 0.25 0.00 0.00 55.06 56.28 1jyc s HIS 127 Cb -0.07 0.14 -0.03 0.00 -1.18 0.00 0.00 32.58 31.45 1jyc s HIS 127 CO -0.01 -0.28 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.15 1jyc s PHE 128 N 1.30 0.60 -0.06 3.88 -0.12 -0.53 -5.00 117.98 118.04 1jyc s PHE 128 Ca -0.09 -0.61 -0.03 0.00 -0.05 0.00 0.00 56.93 56.15 1jyc s PHE 128 Cb -0.09 -0.37 0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1jyc s PHE 128 CO -0.10 -0.14 0.13 1.41 -0.05 0.00 0.00 175.22 176.47 1jyc s MET 129 N -2.06 0.05 -0.24 1.99 1.75 -1.26 -0.99 119.30 118.54 1jyc s MET 129 Ca -0.07 0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.77 1jyc s MET 129 Cb -0.06 -0.24 0.03 0.00 2.84 0.00 0.00 34.83 37.40 1jyc s MET 129 CO -0.01 -0.22 -0.09 -0.06 -0.65 0.00 0.00 175.02 173.99 1jyc s PHE 130 N 1.54 3.03 -0.12 4.11 0.08 0.17 -4.92 117.98 121.88 1jyc s PHE 130 Ca -0.05 -1.64 0.07 0.00 0.12 0.00 0.00 56.93 55.43 1jyc s PHE 130 Cb -0.12 -2.02 -0.10 0.00 -0.57 0.00 0.00 43.02 40.21 1jyc s PHE 130 CO -0.05 -0.75 0.20 0.09 -0.10 0.00 0.00 175.22 174.61 1jyc n ASN 131 N 4.64 2.27 -3.84 1.36 3.02 -1.26 -0.88 115.26 120.57 1jyc n ASN 131 Ca -0.17 -0.24 -0.15 0.00 -0.03 0.00 0.00 54.58 53.99 1jyc n ASN 131 Cb 0.47 1.21 -0.15 0.00 -0.61 0.00 0.00 39.78 40.69 1jyc n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jyc s GLN 132 N -2.18 0.15 -0.23 3.52 -1.52 -1.26 -4.76 119.66 113.38 1jyc s GLN 132 Ca -0.01 0.04 -0.02 0.00 -1.95 0.00 0.00 55.36 53.42 1jyc s GLN 132 Cb 0.05 -0.28 0.01 0.00 -0.22 0.00 0.00 33.01 32.57 1jyc s GLN 132 CO 0.29 -0.07 -0.07 -0.06 -0.25 0.00 0.00 175.29 175.13 1jyc s PHE 133 N 0.58 2.98 0.54 0.91 0.08 0.14 -5.02 117.98 118.20 1jyc s PHE 133 Ca -0.05 -1.28 -0.09 0.00 0.12 0.00 0.00 56.93 55.63 1jyc s PHE 133 Cb -0.08 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1jyc s PHE 133 CO -0.01 -0.66 0.91 -1.54 -0.10 0.00 0.00 175.22 173.82 1jyc s SER 134 N 1.39 6.29 0.65 1.36 1.04 -1.26 -2.66 113.70 120.51 1jyc s SER 134 Ca 0.03 1.21 0.37 0.00 0.48 0.00 0.00 55.95 58.05 1jyc s SER 134 Cb -0.15 -2.37 2.05 0.00 0.10 0.00 0.00 66.02 65.65 1jyc s SER 134 CO -0.05 -0.71 2.19 0.50 0.98 0.00 0.00 173.24 176.15 1jyc h LYS 135 N 0.08 0.00 -2.58 4.02 3.64 -1.83 -3.15 116.57 116.74 1jyc h LYS 135 Ca -0.46 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.33 1jyc h LYS 135 Cb 1.20 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.62 1jyc h LYS 135 CO 0.62 0.00 -0.82 -3.47 -2.27 0.00 0.00 179.45 173.51 1jyc n ASP 136 N -3.16 1.13 -4.48 4.20 2.03 -1.26 -4.77 116.55 110.25 1jyc n ASP 136 Ca -0.02 -2.78 -0.44 0.00 0.52 0.00 0.00 54.79 52.08 1jyc n ASP 136 Cb 0.21 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 39.96 1jyc n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1jyc s GLN 137 N -0.77 3.94 0.31 -0.67 2.00 -1.19 -4.87 119.66 118.40 1jyc s GLN 137 Ca 0.31 -2.25 0.21 0.00 -2.00 0.00 0.00 55.36 51.63 1jyc s GLN 137 Cb 0.03 -5.10 1.14 0.00 0.80 0.00 0.00 33.01 29.88 1jyc s GLN 137 CO -0.17 -1.85 1.65 1.63 -0.50 0.00 0.00 175.29 176.05 1jyc n LYS 138 N 6.34 0.14 -0.42 1.67 5.02 -1.26 -1.55 118.16 128.09 1jyc n LYS 138 Ca 0.35 0.63 0.08 0.00 -2.02 0.00 0.00 58.31 57.35 1jyc n LYS 138 Cb 0.45 -1.95 0.27 0.00 -0.02 0.00 0.00 35.03 33.79 1jyc n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jyc n ASP 139 N -2.24 3.60 -4.17 4.39 5.75 -1.26 -4.87 116.55 117.75 1jyc n ASP 139 Ca -0.01 -2.23 -0.24 0.00 -0.01 0.00 0.00 54.79 52.30 1jyc n ASP 139 Cb 0.04 -0.47 -0.15 0.00 -1.03 0.00 0.00 41.12 39.51 1jyc n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1jyc s LEU 140 N -1.36 2.09 -0.30 -2.12 1.43 -0.60 -1.46 118.68 116.36 1jyc s LEU 140 Ca 0.40 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 1jyc s LEU 140 Cb 0.24 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 1jyc s LEU 140 CO 0.22 0.17 0.14 -0.63 0.23 0.00 0.00 176.35 176.48 1jyc s ILE 141 N -0.57 4.61 -0.21 -0.59 1.01 -0.52 -4.89 121.20 120.04 1jyc s ILE 141 Ca 0.06 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 1jyc s ILE 141 Cb -0.07 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 1jyc s ILE 141 CO 0.00 0.12 0.14 -0.76 0.00 0.00 0.00 174.94 174.44 1jyc s LEU 142 N 1.62 4.20 0.23 2.97 1.43 -1.26 -1.99 118.68 125.87 1jyc s LEU 142 Ca 0.05 0.21 0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1jyc s LEU 142 Cb -0.17 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 1jyc s LEU 142 CO 0.06 0.16 -0.20 -1.10 0.23 0.00 0.00 176.35 175.50 1jyc s GLN 143 N 0.47 1.52 5.70 1.70 -0.21 -0.61 -4.97 119.66 123.26 1jyc s GLN 143 Ca 0.08 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 53.84 1jyc s GLN 143 Cb -0.11 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.27 1jyc s GLN 143 CO -0.01 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 1jyc n GLY 144 N -0.22 2.64 0.34 3.09 0.00 -1.26 -1.57 105.19 108.21 1jyc n GLY 144 Ca -0.09 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.59 1jyc n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyc n ASP 145 N 1.17 1.02 -4.73 1.61 8.00 0.20 -4.90 116.55 118.93 1jyc n ASP 145 Ca 0.00 -1.66 -0.41 0.00 0.71 0.00 0.00 54.79 53.43 1jyc n ASP 145 Cb 0.00 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.03 1jyc n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jyc n ALA 146 N -0.08 1.67 -3.17 2.24 0.00 -1.13 -4.43 120.51 115.60 1jyc n ALA 146 Ca 0.14 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.75 1jyc n ALA 146 Cb 0.22 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.26 1jyc n ALA 146 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jyc s THR 147 N -1.16 0.07 0.25 0.00 -4.23 -0.45 -4.82 115.64 105.30 1jyc s THR 147 Ca 0.58 -0.55 0.05 0.00 -1.18 0.00 0.00 61.69 60.59 1jyc s THR 147 Cb -0.50 -0.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.63 1jyc s THR 147 CO 0.60 -0.30 -0.03 0.42 -0.54 0.00 0.00 174.62 174.77 1jyc s THR 148 N -1.58 1.27 0.00 3.99 -4.23 -1.26 -1.17 115.64 112.66 1jyc s THR 148 Ca -0.12 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 1jyc s THR 148 Cb -0.05 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1jyc s THR 148 CO 0.02 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1jyc n GLY 149 N -0.47 2.32 3.61 3.99 0.00 -1.09 -4.21 105.19 109.34 1jyc n GLY 149 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1jyc n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jyc s THR 150 N -2.38 3.77 -0.64 2.61 -4.23 -1.25 -2.76 115.64 110.75 1jyc s THR 150 Ca 0.00 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1jyc s THR 150 Cb 0.00 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1jyc s THR 150 CO 0.00 -0.55 0.00 -0.67 -0.54 0.00 0.00 174.62 172.86 1jyc n ASP 151 N 9.04 -5.50 0.00 3.99 2.03 -1.26 -0.92 116.55 123.93 1jyc n ASP 151 Ca 0.18 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1jyc n ASP 151 Cb 0.47 -3.53 0.00 0.00 -0.72 0.00 0.00 41.12 37.34 1jyc n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jyc n GLY 152 N 0.11 0.68 4.01 0.27 0.00 -1.11 -4.96 105.19 104.17 1jyc n GLY 152 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1jyc n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jyc s ASN 153 N -2.38 5.63 -0.33 1.61 0.01 -0.10 0.26 114.94 119.64 1jyc s ASN 153 Ca 0.00 -0.38 -0.05 0.00 -0.71 0.00 0.00 52.86 51.72 1jyc s ASN 153 Cb 0.00 -0.68 0.04 0.00 0.41 0.00 0.00 41.25 41.02 1jyc s ASN 153 CO 0.00 -0.79 0.08 -0.22 -1.51 0.00 0.00 177.10 174.66 1jyc s LEU 154 N -4.38 4.23 -0.42 0.60 2.96 -0.40 -2.93 118.68 118.34 1jyc s LEU 154 Ca 0.55 -1.20 -0.18 0.00 -0.22 0.00 0.00 54.13 53.08 1jyc s LEU 154 Cb -0.10 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1jyc s LEU 154 CO 0.33 -0.31 0.51 -1.61 -1.32 0.00 0.00 176.35 173.95 1jyc s GLU 155 N 1.36 3.23 0.21 1.98 0.41 -0.31 -0.66 118.70 124.91 1jyc s GLU 155 Ca -0.02 -0.56 0.02 0.00 -0.41 0.00 0.00 54.97 53.99 1jyc s GLU 155 Cb -0.20 -3.94 0.15 0.00 -1.78 0.00 0.00 34.13 28.37 1jyc s GLU 155 CO 0.02 -0.86 1.50 -0.07 -0.49 0.00 0.00 175.26 175.35 1jyc h LEU 156 N 9.24 0.36 -9.18 1.80 3.38 -1.73 -1.18 115.31 118.00 1jyc h LEU 156 Ca -0.26 -0.22 -0.59 0.00 0.09 0.00 0.00 57.88 56.89 1jyc h LEU 156 Cb 1.11 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 1jyc h LEU 156 CO 0.82 0.92 -0.75 0.42 0.09 0.00 0.00 178.44 179.94 1jyc s THR 157 N -3.67 2.39 0.21 0.22 -4.23 -1.26 -2.92 115.64 106.38 1jyc s THR 157 Ca -0.05 -2.38 -0.31 0.00 -1.18 0.00 0.00 61.69 57.78 1jyc s THR 157 Cb 0.11 -2.28 -0.15 0.00 1.34 0.00 0.00 72.50 71.51 1jyc s THR 157 CO 0.82 -0.42 1.00 0.54 -0.54 0.00 0.00 174.62 176.02 1jyc n ARG 158 N -0.60 1.00 -3.80 3.99 5.12 -1.26 -4.82 116.66 116.29 1jyc n ARG 158 Ca -0.05 0.35 -0.15 0.00 -1.93 0.00 0.00 57.85 56.07 1jyc n ARG 158 Cb 0.60 -1.72 -0.16 0.00 -1.16 0.00 0.00 32.46 30.02 1jyc n ARG 158 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1jyc s VAL 159 N -0.63 -0.02 1.36 1.55 0.11 -1.26 -2.50 120.40 119.01 1jyc s VAL 159 Ca 0.67 0.20 -0.22 0.00 -2.93 0.00 0.00 61.98 59.70 1jyc s VAL 159 Cb -0.83 -0.11 0.34 0.00 -1.53 0.00 0.00 36.38 34.25 1jyc s VAL 159 CO 0.56 0.10 0.98 -0.94 -3.33 0.00 0.00 175.10 172.47 1jyc s SER 160 N 1.07 -0.52 0.30 3.54 1.04 0.22 -4.82 113.70 114.53 1jyc s SER 160 Ca -0.09 0.81 -0.02 0.00 0.48 0.00 0.00 55.95 57.12 1jyc s SER 160 Cb -0.13 -1.14 0.43 0.00 0.10 0.00 0.00 66.02 65.29 1jyc s SER 160 CO -0.03 -5.02 1.97 0.28 0.98 0.00 0.00 173.24 171.42 1jyc h SER 161 N -3.19 0.96 0.77 7.02 0.02 -2.02 -2.22 113.55 114.89 1jyc h SER 161 Ca -0.44 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1jyc h SER 161 Cb 1.33 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1jyc h SER 161 CO 0.30 0.70 -0.32 0.59 -1.14 0.00 0.00 176.83 176.96 1jyc n ASN 162 N -4.41 0.38 0.00 3.07 5.03 -1.26 -4.92 115.26 113.15 1jyc n ASN 162 Ca 0.09 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.64 1jyc n ASN 162 Cb 0.02 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 1jyc n ASN 162 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jyc n GLY 163 N 1.47 0.92 3.72 7.41 0.00 -0.84 -5.09 105.19 112.79 1jyc n GLY 163 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1jyc n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jyc s SER 164 N -1.66 7.23 0.60 1.61 0.01 -1.26 -4.66 113.70 115.56 1jyc s SER 164 Ca 0.00 1.99 -0.16 0.00 1.31 0.00 0.00 55.95 59.09 1jyc s SER 164 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1jyc s SER 164 CO 0.00 -0.30 1.07 -2.16 0.41 0.00 0.00 173.24 172.25 1jyc s PRO 165 N 0.34 3.25 0.16 12.44 0.04 -1.26 0.69 135.00 150.66 1jyc s PRO 165 Ca 0.53 1.24 0.09 0.00 0.04 0.00 0.00 61.00 62.90 1jyc s PRO 165 Cb -0.28 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1jyc s PRO 165 CO 0.32 -0.87 -0.15 -0.65 0.04 0.00 0.00 177.00 175.69 1jyc s GLN 166 N -4.06 1.89 0.68 4.56 -0.21 -1.04 -4.83 119.66 116.64 1jyc s GLN 166 Ca 0.64 -1.27 -0.10 0.00 0.02 0.00 0.00 55.36 54.65 1jyc s GLN 166 Cb -0.17 -2.10 0.01 0.00 1.00 0.00 0.00 33.01 31.76 1jyc s GLN 166 CO 0.37 0.45 1.05 0.20 -2.12 0.00 0.00 175.29 175.24 1jyc s GLY 167 N -2.56 1.62 -1.03 3.09 0.00 -1.26 -4.45 107.32 102.72 1jyc s GLY 167 Ca 0.22 -0.43 -0.15 0.00 0.00 0.00 0.00 44.72 44.35 1jyc s GLY 167 CO 0.13 -0.08 0.74 1.44 0.00 0.00 0.00 173.10 175.33 1jyc n SER 168 N -2.91 -5.53 -4.12 1.64 7.64 -0.72 -4.79 113.62 104.83 1jyc n SER 168 Ca 0.06 -0.90 -0.15 0.00 1.01 0.00 0.00 58.87 58.90 1jyc n SER 168 Cb 0.57 -3.24 -0.11 0.00 -1.01 0.00 0.00 64.21 60.42 1jyc n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jyc s SER 169 N -3.32 1.25 -0.01 6.43 0.15 -1.21 -4.93 113.70 112.06 1jyc s SER 169 Ca 0.33 -0.63 -0.15 0.00 0.70 0.00 0.00 55.95 56.20 1jyc s SER 169 Cb -0.12 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 1jyc s SER 169 CO 0.86 -0.18 0.32 0.68 1.20 0.00 0.00 173.24 176.13 1jyc s VAL 170 N -1.59 0.06 -0.20 4.45 -7.23 -1.26 -1.48 120.40 113.15 1jyc s VAL 170 Ca -0.04 -0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 59.37 1jyc s VAL 170 Cb -0.08 -0.64 0.15 0.00 0.56 0.00 0.00 36.38 36.37 1jyc s VAL 170 CO 0.01 -0.25 1.12 -0.83 -0.31 0.00 0.00 175.10 174.84 1jyc s GLY 171 N -1.35 -0.17 0.19 2.32 0.00 -1.13 0.61 107.32 107.80 1jyc s GLY 171 Ca -0.13 2.20 -0.02 0.00 0.00 0.00 0.00 44.72 46.77 1jyc s GLY 171 CO 0.04 0.98 0.14 0.50 0.00 0.00 0.00 173.10 174.76 1jyc s ARG 172 N -1.28 1.18 -0.09 2.90 0.52 -0.61 -2.56 118.95 119.01 1jyc s ARG 172 Ca 0.03 -1.58 -0.04 0.00 -0.52 0.00 0.00 55.73 53.63 1jyc s ARG 172 Cb -0.01 0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.79 1jyc s ARG 172 CO -0.02 -0.39 0.18 0.00 0.02 0.00 0.00 175.30 175.09 1jyc s ALA 173 N -4.13 -0.24 0.01 2.13 0.00 -0.39 -1.57 121.76 117.57 1jyc s ALA 173 Ca 0.36 0.64 0.07 0.00 0.00 0.00 0.00 51.96 53.02 1jyc s ALA 173 Cb 0.07 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1jyc s ALA 173 CO 0.10 -0.55 -0.19 -0.51 0.00 0.00 0.00 175.76 174.62 1jyc s LEU 174 N 2.23 2.52 0.29 0.00 1.02 -0.84 -0.18 118.68 123.72 1jyc s LEU 174 Ca 0.02 -0.39 -0.29 0.00 0.02 0.00 0.00 54.13 53.48 1jyc s LEU 174 Cb -0.12 -1.48 -0.10 0.00 0.02 0.00 0.00 46.19 44.51 1jyc s LEU 174 CO -0.06 0.29 1.25 0.12 0.02 0.00 0.00 176.35 177.97 1jyc s PHE 175 N -0.83 3.23 0.14 0.29 5.36 -0.28 -1.44 117.98 124.46 1jyc s PHE 175 Ca 0.13 1.45 -0.19 0.00 -0.96 0.00 0.00 56.93 57.37 1jyc s PHE 175 Cb -0.10 -3.56 0.02 0.00 -0.34 0.00 0.00 43.02 39.04 1jyc s PHE 175 CO 0.03 -1.52 1.70 -0.92 -1.46 0.00 0.00 175.22 173.05 1jyc h TYR 176 N 3.88 -0.10 -3.76 10.12 5.03 -1.60 -3.43 116.97 127.12 1jyc h TYR 176 Ca -0.48 0.02 -0.50 0.00 2.58 0.00 0.00 58.73 60.36 1jyc h TYR 176 Cb 1.22 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.58 1jyc h TYR 176 CO 0.58 -0.09 0.40 0.00 -1.32 0.00 0.00 178.16 177.73 1jyc s ALA 177 N -6.20 3.36 0.70 1.82 0.00 -1.26 -5.02 121.76 115.16 1jyc s ALA 177 Ca -0.13 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 1jyc s ALA 177 Cb 0.12 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1jyc s ALA 177 CO 0.69 0.05 1.20 -2.14 0.00 0.00 0.00 175.76 175.57 1jyc s PRO 178 N -1.20 2.34 -0.09 0.00 0.02 -1.26 -4.84 135.00 129.97 1jyc s PRO 178 Ca 0.43 1.74 0.04 0.00 0.02 0.00 0.00 61.00 63.22 1jyc s PRO 178 Cb -0.28 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1jyc s PRO 178 CO 0.35 -1.67 -0.23 0.08 -0.33 0.00 0.00 177.00 175.20 1jyc s VAL 179 N -1.95 1.95 -0.66 3.83 1.01 0.10 -4.96 120.40 119.73 1jyc s VAL 179 Ca 0.74 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 1jyc s VAL 179 Cb -0.29 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.45 1jyc s VAL 179 CO 0.43 0.54 1.11 -2.28 0.00 0.00 0.00 175.10 174.89 1jyc s HIS 180 N 0.31 2.54 -0.19 5.22 2.46 -1.26 -1.45 115.29 122.91 1jyc s HIS 180 Ca -0.17 -0.15 0.18 0.00 0.47 0.00 0.00 55.06 55.39 1jyc s HIS 180 Cb -0.17 -4.41 -0.00 0.00 -0.13 0.00 0.00 32.58 27.87 1jyc s HIS 180 CO 0.08 -1.76 1.12 0.97 -2.47 0.00 0.00 174.74 172.69 1jyc h ILE 181 N 6.02 0.44 -2.29 0.89 6.09 -1.65 -3.48 117.51 123.54 1jyc h ILE 181 Ca -0.28 -1.73 -0.06 0.00 -1.37 0.00 0.00 64.86 61.42 1jyc h ILE 181 Cb 1.06 2.02 -0.18 0.00 0.47 0.00 0.00 36.82 40.19 1jyc h ILE 181 CO 1.20 0.25 0.15 -1.66 -3.07 0.00 0.00 178.15 175.02 1jyc s TRP 182 N -3.06 -0.59 0.04 2.19 1.48 -1.25 -4.85 118.94 112.91 1jyc s TRP 182 Ca 0.01 0.89 0.03 0.00 -1.06 0.00 0.00 56.10 55.97 1jyc s TRP 182 Cb 0.08 0.41 -0.02 0.00 -1.16 0.00 0.00 33.47 32.78 1jyc s TRP 182 CO 0.77 -0.64 -0.11 -2.00 -4.06 0.00 0.00 176.95 170.92 1jyc s GLU 183 N -1.70 0.69 0.17 3.25 2.12 -1.26 -4.72 118.70 117.25 1jyc s GLU 183 Ca -0.09 -0.72 -0.15 0.00 0.36 0.00 0.00 54.97 54.37 1jyc s GLU 183 Cb -0.01 -0.61 0.11 0.00 0.26 0.00 0.00 34.13 33.89 1jyc s GLU 183 CO 0.05 0.14 1.73 0.77 -0.54 0.00 0.00 175.26 177.41 1jyc h SER 184 N 4.78 0.03 -2.60 -1.70 0.02 -2.02 -3.11 113.55 108.95 1jyc h SER 184 Ca -0.36 0.07 -0.78 0.00 -0.84 0.00 0.00 61.79 59.87 1jyc h SER 184 Cb 1.19 0.08 -0.29 0.00 0.14 0.00 0.00 62.40 63.52 1jyc h SER 184 CO 0.43 0.05 0.71 -1.54 -1.14 0.00 0.00 176.83 175.34 1jyc n SER 185 N -5.08 6.48 -4.05 3.07 3.41 -1.26 -4.97 113.62 111.22 1jyc n SER 185 Ca 0.03 -3.53 -0.31 0.00 -0.26 0.00 0.00 58.87 54.80 1jyc n SER 185 Cb 0.18 -1.16 -0.16 0.00 -0.26 0.00 0.00 64.21 62.81 1jyc n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyc s ALA 186 N -3.35 2.15 0.11 7.33 0.00 -1.18 -1.62 121.76 125.21 1jyc s ALA 186 Ca 0.35 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 1jyc s ALA 186 Cb 0.12 -1.24 -0.07 0.00 0.00 0.00 0.00 23.12 21.93 1jyc s ALA 186 CO 0.01 -0.63 1.72 0.28 0.00 0.00 0.00 175.76 177.13 1jyc h VAL 187 N 6.23 1.11 -3.39 0.00 2.07 -1.25 -3.44 116.25 117.58 1jyc h VAL 187 Ca -0.34 -0.29 -0.21 0.00 0.82 0.00 0.00 66.70 66.68 1jyc h VAL 187 Cb 1.11 0.89 -0.28 0.00 -1.52 0.00 0.00 31.29 31.49 1jyc h VAL 187 CO 0.54 0.11 -0.59 -0.69 0.02 0.00 0.00 177.57 176.96 1jyc s VAL 188 N -5.89 -0.01 -0.02 2.57 1.01 -1.20 -4.87 120.40 111.98 1jyc s VAL 188 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1jyc s VAL 188 Cb 0.08 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.30 1jyc s VAL 188 CO 0.70 0.02 0.01 0.00 0.00 0.00 0.00 175.10 175.84 1jyc s ALA 189 N 0.39 0.18 0.13 5.51 0.00 -1.26 -1.25 121.76 125.45 1jyc s ALA 189 Ca -0.03 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 1jyc s ALA 189 Cb -0.04 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1jyc s ALA 189 CO -0.02 -0.08 0.36 -1.54 0.00 0.00 0.00 175.76 174.48 1jyc s SER 190 N 0.98 -0.14 0.02 0.00 1.04 -0.55 -0.17 113.70 114.88 1jyc s SER 190 Ca -0.09 -0.44 -0.18 0.00 0.48 0.00 0.00 55.95 55.72 1jyc s SER 190 Cb -0.12 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1jyc s SER 190 CO -0.02 -0.85 0.41 0.72 0.98 0.00 0.00 173.24 174.48 1jyc s PHE 191 N -3.83 -0.28 -0.04 5.02 -0.12 -0.78 -0.82 117.98 117.13 1jyc s PHE 191 Ca 0.05 0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 57.21 1jyc s PHE 191 Cb 0.02 0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1jyc s PHE 191 CO -0.10 -0.53 0.10 -1.83 -0.05 0.00 0.00 175.22 172.81 1jyc s GLU 192 N -2.11 0.09 0.07 1.99 -1.05 -0.20 -2.39 118.70 115.09 1jyc s GLU 192 Ca -0.08 0.21 0.08 0.00 -0.15 0.00 0.00 54.97 55.03 1jyc s GLU 192 Cb -0.02 -0.06 -0.03 0.00 -0.44 0.00 0.00 34.13 33.59 1jyc s GLU 192 CO 0.00 -0.08 -0.21 0.00 0.95 0.00 0.00 175.26 175.93 1jyc s ALA 193 N 0.53 1.77 -0.05 -0.84 0.00 -0.01 -1.64 121.76 121.51 1jyc s ALA 193 Ca -0.04 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 1jyc s ALA 193 Cb -0.06 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1jyc s ALA 193 CO -0.02 0.38 0.21 0.99 0.00 0.00 0.00 175.76 177.31 1jyc s THR 194 N -0.94 0.03 -0.09 0.00 2.01 -0.70 -0.27 115.64 115.67 1jyc s THR 194 Ca 0.07 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1jyc s THR 194 Cb -0.09 -0.37 0.07 0.00 0.01 0.00 0.00 72.50 72.12 1jyc s THR 194 CO 0.03 -0.12 0.69 0.72 -0.69 0.00 0.00 174.62 175.24 1jyc s PHE 195 N -0.42 -0.68 -0.09 4.92 -0.71 -0.85 -1.03 117.98 119.12 1jyc s PHE 195 Ca -0.05 1.26 -0.00 0.00 -1.04 0.00 0.00 56.93 57.09 1jyc s PHE 195 Cb -0.03 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.13 1jyc s PHE 195 CO 0.01 -0.57 -0.06 0.95 -1.34 0.00 0.00 175.22 174.22 1jyc s THR 196 N -0.92 3.78 0.27 -4.49 -4.23 -0.82 -1.24 115.64 107.99 1jyc s THR 196 Ca -0.09 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.02 1jyc s THR 196 Cb -0.01 -2.57 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 1jyc s THR 196 CO 0.08 0.58 0.02 0.72 -0.54 0.00 0.00 174.62 175.48 1jyc s PHE 197 N -0.55 1.75 -0.28 3.99 -0.12 -0.91 -0.96 117.98 120.91 1jyc s PHE 197 Ca 0.08 -0.92 -0.03 0.00 -0.05 0.00 0.00 56.93 56.00 1jyc s PHE 197 Cb -0.12 -1.06 0.10 0.00 -0.63 0.00 0.00 43.02 41.32 1jyc s PHE 197 CO 0.02 -0.00 0.16 -1.17 -0.05 0.00 0.00 175.22 174.17 1jyc s LEU 198 N -3.38 0.37 -0.45 -1.99 2.96 0.19 -1.54 118.68 114.83 1jyc s LEU 198 Ca 0.32 -1.10 -0.14 0.00 -0.22 0.00 0.00 54.13 52.99 1jyc s LEU 198 Cb 0.07 -0.17 0.06 0.00 0.50 0.00 0.00 46.19 46.65 1jyc s LEU 198 CO 0.12 -0.42 0.35 -0.63 -1.32 0.00 0.00 176.35 174.45 1jyc s ILE 199 N 2.16 5.05 -0.03 6.68 1.01 -1.26 -3.09 121.20 131.71 1jyc s ILE 199 Ca 0.08 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1jyc s ILE 199 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1jyc s ILE 199 CO -0.33 -0.51 -0.16 -0.75 0.00 0.00 0.00 174.94 173.18 1jyc s LYS 200 N 1.61 2.40 -0.02 2.79 2.36 -1.25 -1.91 119.74 125.72 1jyc s LYS 200 Ca 0.04 -0.76 0.00 0.00 -2.55 0.00 0.00 55.97 52.70 1jyc s LYS 200 Cb -0.23 -2.31 0.02 0.00 -1.05 0.00 0.00 37.83 34.26 1jyc s LYS 200 CO 0.06 0.61 0.02 0.45 1.55 0.00 0.00 175.35 178.04 1jyc s SER 201 N -0.80 0.06 -0.13 1.43 0.15 -1.26 0.33 113.70 113.48 1jyc s SER 201 Ca 0.12 0.03 -0.22 0.00 0.70 0.00 0.00 55.95 56.57 1jyc s SER 201 Cb -0.10 -0.06 -0.20 0.00 -1.71 0.00 0.00 66.02 63.95 1jyc s SER 201 CO 0.01 -0.10 0.57 1.55 1.20 0.00 0.00 173.24 176.47 1jyc h PRO 202 N 7.03 0.00 0.00 5.44 0.13 -1.96 -3.48 132.00 139.16 1jyc h PRO 202 Ca -0.41 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.57 1jyc h PRO 202 Cb 1.14 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.35 1jyc h PRO 202 CO 0.49 0.77 0.03 -0.40 -0.23 0.00 0.00 178.00 178.66 1jyc n ASP 203 N -4.64 -1.60 0.00 1.44 5.68 -1.26 -4.97 116.55 111.20 1jyc n ASP 203 Ca -0.09 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 1jyc n ASP 203 Cb 0.38 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1jyc n ASP 203 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1jyc n SER 204 N -3.76 0.00 -4.63 -1.12 7.64 -1.26 -4.63 113.62 105.86 1jyc n SER 204 Ca 0.06 0.48 -0.35 0.00 1.01 0.00 0.00 58.87 60.07 1jyc n SER 204 Cb 0.23 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.32 1jyc n SER 204 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1jyc s HIS 205 N -0.96 3.16 0.66 1.43 5.65 -1.26 -5.10 115.29 118.88 1jyc s HIS 205 Ca 0.00 0.06 -0.11 0.00 0.25 0.00 0.00 55.06 55.25 1jyc s HIS 205 Cb 0.00 -1.90 -0.01 0.00 -1.18 0.00 0.00 32.58 29.49 1jyc s HIS 205 CO 0.00 0.28 1.05 -1.25 -0.65 0.00 0.00 174.74 174.17 1jyc s PRO 206 N -0.30 3.18 -0.26 2.88 0.04 -1.26 -4.26 135.00 135.02 1jyc s PRO 206 Ca 0.07 0.93 -0.26 0.00 0.04 0.00 0.00 61.00 61.77 1jyc s PRO 206 Cb -0.12 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.54 1jyc s PRO 206 CO 0.02 -0.91 1.14 0.00 0.04 0.00 0.00 177.00 177.29 1jyc s ALA 207 N -3.01 -2.03 0.00 8.56 0.00 -1.15 -4.32 121.76 119.81 1jyc s ALA 207 Ca 0.58 1.77 0.00 0.00 0.00 0.00 0.00 51.96 54.31 1jyc s ALA 207 Cb -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1jyc s ALA 207 CO 0.52 -0.22 0.00 -0.25 0.00 0.00 0.00 175.76 175.81 1jyc n ASP 208 N 1.63 1.23 0.00 0.00 9.92 0.20 -3.35 116.55 126.17 1jyc n ASP 208 Ca -0.11 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 1jyc n ASP 208 Cb 0.57 0.65 0.00 0.00 -0.64 0.00 0.00 41.12 41.70 1jyc n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyc n GLY 209 N 1.02 1.24 3.23 0.44 0.00 -1.23 -2.19 105.19 107.71 1jyc n GLY 209 Ca 0.00 -2.00 -0.17 0.00 0.00 0.00 0.00 46.02 43.85 1jyc n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jyc s ILE 210 N -1.12 1.23 -0.14 -0.61 1.01 -0.93 -2.82 121.20 117.83 1jyc s ILE 210 Ca 0.00 -1.76 -0.18 0.00 0.00 0.00 0.00 60.65 58.71 1jyc s ILE 210 Cb 0.00 -1.55 0.04 0.00 0.01 0.00 0.00 42.46 40.96 1jyc s ILE 210 CO 0.00 -0.50 0.47 0.00 0.00 0.00 0.00 174.94 174.91 1jyc s ALA 211 N -2.40 -1.17 -0.13 9.38 0.00 0.03 0.97 121.76 128.44 1jyc s ALA 211 Ca 0.10 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 1jyc s ALA 211 Cb -0.03 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1jyc s ALA 211 CO 0.02 -0.25 0.25 0.12 0.00 0.00 0.00 175.76 175.91 1jyc s PHE 212 N -0.15 3.53 0.06 0.00 5.36 -0.41 -1.17 117.98 125.20 1jyc s PHE 212 Ca -0.03 0.60 -0.05 0.00 -0.96 0.00 0.00 56.93 56.49 1jyc s PHE 212 Cb -0.03 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 1jyc s PHE 212 CO 0.02 0.42 0.09 -0.59 -1.46 0.00 0.00 175.22 173.70 1jyc s PHE 213 N -0.12 0.30 -0.05 10.12 -0.71 -0.51 -0.88 117.98 126.14 1jyc s PHE 213 Ca 0.16 -0.74 0.04 0.00 -1.04 0.00 0.00 56.93 55.34 1jyc s PHE 213 Cb -0.13 -0.20 -0.00 0.00 -1.21 0.00 0.00 43.02 41.48 1jyc s PHE 213 CO 0.04 -0.44 -0.16 0.42 -1.34 0.00 0.00 175.22 173.74 1jyc s ILE 214 N -3.60 1.39 0.36 -4.49 1.01 -0.09 -1.24 121.20 114.54 1jyc s ILE 214 Ca 0.03 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1jyc s ILE 214 Cb 0.05 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1jyc s ILE 214 CO -0.09 0.40 0.50 -0.94 0.00 0.00 0.00 174.94 174.81 1jyc s SER 215 N 0.12 1.05 0.54 3.58 1.04 -0.47 -2.16 113.70 117.40 1jyc s SER 215 Ca -0.06 -1.54 -0.20 0.00 0.48 0.00 0.00 55.95 54.63 1jyc s SER 215 Cb -0.12 0.69 -0.06 0.00 0.10 0.00 0.00 66.02 66.64 1jyc s SER 215 CO 0.03 -1.35 1.18 0.54 0.98 0.00 0.00 173.24 174.61 1jyc s ASN 216 N -3.26 5.66 0.23 7.02 4.22 -1.23 -1.30 114.94 126.27 1jyc s ASN 216 Ca 0.30 2.31 -0.11 0.00 -2.14 0.00 0.00 52.86 53.22 1jyc s ASN 216 Cb -0.01 -2.60 0.32 0.00 1.28 0.00 0.00 41.25 40.24 1jyc s ASN 216 CO 0.22 -1.27 1.62 0.40 -2.04 0.00 0.00 177.10 176.03 1jyc h ILE 217 N 1.30 0.33 -0.34 0.54 2.04 -1.86 -2.36 117.51 117.16 1jyc h ILE 217 Ca -0.50 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 1jyc h ILE 217 Cb 1.27 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1jyc h ILE 217 CO 0.57 0.01 0.16 -0.90 0.00 0.00 0.00 178.15 177.99 1jyc n ASP 218 N -5.42 3.17 -4.75 1.72 5.75 -1.26 -4.86 116.55 110.89 1jyc n ASP 218 Ca 0.10 -2.55 -0.37 0.00 -0.01 0.00 0.00 54.79 51.97 1jyc n ASP 218 Cb 0.39 -0.61 0.03 0.00 -1.03 0.00 0.00 41.12 39.90 1jyc n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1jyc s SER 219 N -0.11 5.28 0.10 -1.12 0.15 -0.89 -5.05 113.70 112.07 1jyc s SER 219 Ca 0.23 2.46 -0.09 0.00 0.70 0.00 0.00 55.95 59.24 1jyc s SER 219 Cb 0.19 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1jyc s SER 219 CO 0.05 -1.54 0.22 -0.94 1.20 0.00 0.00 173.24 172.24 1jyc s SER 220 N -1.45 0.08 0.12 5.45 1.04 -1.26 -5.08 113.70 112.60 1jyc s SER 220 Ca 0.75 -0.65 -0.31 0.00 0.48 0.00 0.00 55.95 56.22 1jyc s SER 220 Cb -0.32 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 66.06 1jyc s SER 220 CO 0.36 -0.76 1.84 -0.63 0.98 0.00 0.00 173.24 175.02 1jyc s ILE 221 N -3.87 2.55 0.52 -1.02 1.01 -1.26 -4.95 121.20 114.17 1jyc s ILE 221 Ca 0.06 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 1jyc s ILE 221 Cb 0.04 -3.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 1jyc s ILE 221 CO -0.10 -0.00 1.13 -2.84 0.00 0.00 0.00 174.94 173.13 1jyc s PRO 222 N 2.82 3.49 0.15 2.79 0.02 -1.26 -4.95 135.00 138.05 1jyc s PRO 222 Ca 0.81 1.62 -0.31 0.00 0.02 0.00 0.00 61.00 63.14 1jyc s PRO 222 Cb -0.46 -2.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.87 1jyc s PRO 222 CO 0.37 -0.74 1.40 -1.12 -0.33 0.00 0.00 177.00 176.58 1jyc s SER 223 N -1.70 6.79 0.00 2.53 0.01 -1.26 -2.29 113.70 117.78 1jyc s SER 223 Ca 0.70 2.41 0.00 0.00 1.31 0.00 0.00 55.95 60.38 1jyc s SER 223 Cb -0.24 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1jyc s SER 223 CO 0.28 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1jyc n GLY 224 N 3.17 0.48 1.01 3.44 0.00 -1.26 -4.89 105.19 107.14 1jyc n GLY 224 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1jyc n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jyc n SER 225 N -0.08 2.82 -3.99 1.61 3.41 -0.97 -4.81 113.62 111.61 1jyc n SER 225 Ca 0.00 -1.85 -0.24 0.00 -0.26 0.00 0.00 58.87 56.51 1jyc n SER 225 Cb 0.04 -0.48 0.15 0.00 -0.26 0.00 0.00 64.21 63.67 1jyc n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jyc n THR 226 N 0.57 0.00 -2.30 6.66 -2.24 -1.26 0.39 114.28 116.09 1jyc n THR 226 Ca 0.00 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1jyc n THR 226 Cb 0.46 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1jyc n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jyc n GLY 227 N -2.51 3.18 0.14 3.38 0.00 -0.09 -2.61 105.19 106.67 1jyc n GLY 227 Ca 0.15 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1jyc n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jyc n ARG 228 N 14.00 0.08 -0.04 1.61 1.85 -1.26 -1.93 116.66 130.97 1jyc n ARG 228 Ca 0.00 0.54 0.12 0.00 -1.00 0.00 0.00 57.85 57.51 1jyc n ARG 228 Cb 0.00 -2.01 0.40 0.00 -1.05 0.00 0.00 32.46 29.80 1jyc n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1jyc n LEU 229 N -1.96 1.85 -1.49 2.89 4.77 -1.07 -4.94 117.00 117.05 1jyc n LEU 229 Ca -0.01 -0.69 -0.07 0.00 -0.03 0.00 0.00 56.01 55.21 1jyc n LEU 229 Cb 0.27 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1jyc n LEU 229 CO 0.05 0.35 -0.07 0.18 -1.33 0.00 0.00 177.39 176.57 1jyc n LEU 230 N 0.44 -0.52 -1.09 2.23 4.77 -0.81 -0.79 117.00 121.24 1jyc n LEU 230 Ca 0.17 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.23 1jyc n LEU 230 Cb 0.39 -1.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.09 1jyc n LEU 230 CO 0.15 -0.28 -0.13 0.61 -1.33 0.00 0.00 177.39 176.41 1jyc n GLY 231 N -0.25 1.07 0.00 -0.72 0.00 0.16 -4.15 105.19 101.30 1jyc n GLY 231 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1jyc n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jyc n LEU 232 N -1.55 0.00 -4.18 0.99 4.77 0.03 -4.56 117.00 112.50 1jyc n LEU 232 Ca -0.13 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.59 1jyc n LEU 232 Cb 0.46 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1jyc n LEU 232 CO 0.19 0.00 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.38 1jyc s PHE 233 N -1.94 1.66 0.25 -1.77 0.08 -1.16 -4.87 117.98 110.23 1jyc s PHE 233 Ca 0.00 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.74 1jyc s PHE 233 Cb 0.00 -1.07 0.30 0.00 -0.57 0.00 0.00 43.02 41.68 1jyc s PHE 233 CO 0.00 -0.04 1.62 -1.00 -0.10 0.00 0.00 175.22 175.70 1jyc h PRO 234 N 5.73 0.40 0.00 0.24 0.13 -1.92 -3.41 132.00 133.18 1jyc h PRO 234 Ca -0.37 -0.21 -0.22 0.00 -0.87 0.00 0.00 66.00 64.33 1jyc h PRO 234 Cb 1.15 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1jyc h PRO 234 CO 0.48 0.77 -0.20 -0.40 -0.23 0.00 0.00 178.00 178.42 1jyc n ASP 235 N -4.01 0.14 -1.93 1.44 5.68 -1.26 -4.82 116.55 111.78 1jyc n ASP 235 Ca -0.02 -1.93 -0.23 0.00 -0.50 0.00 0.00 54.79 52.11 1jyc n ASP 235 Cb 0.52 0.63 0.08 0.00 -1.14 0.00 0.00 41.12 41.21 1jyc n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jyc n ALA 236 N -2.07 5.31 1.66 2.12 0.00 -1.26 -4.76 120.51 121.50 1jyc n ALA 236 Ca -0.06 -3.52 0.15 0.00 0.00 0.00 0.00 53.44 50.01 1jyc n ALA 236 Cb 0.26 -0.91 0.66 0.00 0.00 0.00 0.00 19.45 19.46 1jyc n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59