#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 6.28 -0.26 0.00 1.01 -1.26 -5.05 116.67 117.39 1jyc s ASP 2 Ca 0.00 0.41 -0.08 0.00 0.71 0.00 0.00 52.55 53.59 1jyc s ASP 2 Cb 0.00 -2.00 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 1jyc s ASP 2 CO 0.00 0.37 0.09 -0.89 0.21 0.00 0.00 175.17 174.95 1jyc s THR 3 N -1.09 4.44 -0.03 -1.27 2.01 -1.26 -5.04 115.64 113.41 1jyc s THR 3 Ca 0.18 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.06 1jyc s THR 3 Cb -0.12 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1jyc s THR 3 CO 0.07 0.29 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.44 1jyc s ILE 4 N 1.63 1.80 -0.08 1.82 -1.09 -1.26 -3.61 121.20 120.40 1jyc s ILE 4 Ca 0.06 -0.96 -0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1jyc s ILE 4 Cb -0.15 -1.50 0.03 0.00 -1.58 0.00 0.00 42.46 39.25 1jyc s ILE 4 CO 0.05 0.51 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.54 1jyc s VAL 5 N -0.42 0.65 0.06 2.92 1.01 -0.85 -0.31 120.40 123.45 1jyc s VAL 5 Ca 0.06 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1jyc s VAL 5 Cb -0.10 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1jyc s VAL 5 CO 0.00 0.29 0.30 0.00 0.00 0.00 0.00 175.10 175.70 1jyc s ALA 6 N 1.66 -0.66 -0.25 5.51 0.00 -0.70 -0.67 121.76 126.66 1jyc s ALA 6 Ca 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1jyc s ALA 6 Cb -0.13 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1jyc s ALA 6 CO -0.05 -0.45 -0.01 0.08 0.00 0.00 0.00 175.76 175.33 1jyc s VAL 7 N -2.86 3.44 -0.11 0.00 1.01 -0.35 -0.16 120.40 121.37 1jyc s VAL 7 Ca -0.03 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1jyc s VAL 7 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1jyc s VAL 7 CO -0.05 0.25 0.13 -1.83 0.00 0.00 0.00 175.10 173.59 1jyc s GLU 8 N 1.44 3.38 -0.99 2.72 -1.05 -0.11 -1.52 118.70 122.58 1jyc s GLU 8 Ca 0.03 -0.18 -0.03 0.00 -0.15 0.00 0.00 54.97 54.64 1jyc s GLU 8 Cb -0.16 -3.13 0.28 0.00 -0.44 0.00 0.00 34.13 30.68 1jyc s GLU 8 CO -0.02 0.76 1.16 1.28 0.95 0.00 0.00 175.26 179.40 1jyc n LEU 9 N 1.92 5.41 -4.58 1.83 4.32 0.18 -2.08 117.00 124.00 1jyc n LEU 9 Ca -0.19 -5.20 -0.42 0.00 -0.02 0.00 0.00 56.01 50.18 1jyc n LEU 9 Cb 0.55 -1.19 -0.03 0.00 -1.62 0.00 0.00 43.42 41.13 1jyc n LEU 9 CO 0.32 1.65 1.42 -0.62 -1.22 0.00 0.00 177.39 178.94 1jyc s ASP 10 N -0.93 5.90 -0.06 -1.43 -1.08 -0.77 -2.51 116.67 115.77 1jyc s ASP 10 Ca 0.32 0.74 0.10 0.00 -0.52 0.00 0.00 52.55 53.18 1jyc s ASP 10 Cb 0.01 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.33 1jyc s ASP 10 CO 0.00 -1.81 1.23 0.35 0.52 0.00 0.00 175.17 175.47 1jyc n THR 11 N 7.17 1.00 -3.68 1.71 -2.24 -1.16 -1.95 114.28 115.13 1jyc n THR 11 Ca 0.18 -0.64 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 1jyc n THR 11 Cb 0.49 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.70 -0.63 -0.84 4.78 5.04 -1.25 -4.43 117.35 118.32 1jyc s TYR 12 Ca 0.28 1.28 -0.25 0.00 -2.44 0.00 0.00 57.07 55.95 1jyc s TYR 12 Cb 0.18 0.20 0.05 0.00 0.35 0.00 0.00 41.96 42.74 1jyc s TYR 12 CO 0.13 -0.39 1.29 -2.14 -1.34 0.00 0.00 175.55 173.10 1jyc s PRO 13 N 2.10 3.35 -1.08 4.97 0.02 -1.26 -4.88 135.00 138.20 1jyc s PRO 13 Ca -0.04 -0.72 -0.04 0.00 0.02 0.00 0.00 61.00 60.22 1jyc s PRO 13 Cb -0.11 -4.64 0.30 0.00 0.02 0.00 0.00 34.50 30.08 1jyc s PRO 13 CO -0.12 -2.11 1.55 0.09 -0.33 0.00 0.00 177.00 176.09 1jyc n ASN 14 N 8.82 6.51 0.00 2.53 4.13 -1.26 -4.78 115.26 131.21 1jyc n ASN 14 Ca 0.14 -3.44 0.00 0.00 1.68 0.00 0.00 54.58 52.96 1jyc n ASN 14 Cb 0.49 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.46 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 1.23 0.88 1.44 3.41 -2.24 -1.25 -0.85 114.28 116.90 1jyc n THR 15 Ca 0.29 0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.46 1jyc n THR 15 Cb 0.32 -1.28 0.44 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.17 1.23 -0.27 3.42 5.75 -1.26 -3.84 116.55 120.41 1jyc n ASP 16 Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 1jyc n ASP 16 Cb 0.06 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1jyc n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1jyc n ILE 17 N 0.03 0.00 0.00 2.12 -5.35 -0.03 -5.03 119.36 111.11 1jyc n ILE 17 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1jyc n ILE 17 Cb 0.26 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 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 0.00 1.76 3.53 3.28 0.00 -1.23 -4.71 105.19 107.82 1jyc n GLY 18 Ca 0.00 -0.56 -0.53 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 0.61 -4.22 1.61 9.92 -1.22 -4.92 116.55 118.33 1jyc n ASP 19 Ca 0.00 1.14 -0.29 0.00 -0.53 0.00 0.00 54.79 55.11 1jyc n ASP 19 Cb 0.00 -1.08 0.24 0.00 -0.64 0.00 0.00 41.12 39.64 1jyc n ASP 19 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1jyc s PRO 20 N -0.19 -1.01 -0.21 -0.24 0.04 -1.26 -3.97 135.00 128.15 1jyc s PRO 20 Ca 0.80 0.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 1jyc s PRO 20 Cb -1.01 -1.58 0.12 0.00 0.04 0.00 0.00 34.50 32.06 1jyc s PRO 20 CO 0.53 -3.67 2.13 -1.13 0.04 0.00 0.00 177.00 174.90 1jyc n SER 21 N -4.82 6.07 -3.63 6.66 3.41 -1.26 -4.62 113.62 115.43 1jyc n SER 21 Ca 0.07 -2.85 -0.04 0.00 -0.26 0.00 0.00 58.87 55.79 1jyc n SER 21 Cb 0.57 -1.11 -0.01 0.00 -0.26 0.00 0.00 64.21 63.40 1jyc n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1jyc s TYR 22 N -1.13 -0.19 0.44 7.33 -0.85 -1.26 -5.00 117.35 116.69 1jyc s TYR 22 Ca 0.25 -0.01 -0.25 0.00 -0.52 0.00 0.00 57.07 56.54 1jyc s TYR 22 Cb 0.18 0.58 -0.09 0.00 0.38 0.00 0.00 41.96 43.01 1jyc s TYR 22 CO -0.02 -0.58 1.34 -2.30 -1.52 0.00 0.00 175.55 172.47 1jyc n PRO 23 N -0.36 2.04 -3.92 -3.49 -0.02 -1.26 -4.67 135.00 123.31 1jyc n PRO 23 Ca -0.07 0.73 -0.08 0.00 -2.02 0.00 0.00 63.50 62.06 1jyc n PRO 23 Cb 0.61 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.21 0.13 0.07 6.00 -3.43 -0.82 -1.26 115.29 114.77 1jyc s HIS 24 Ca 0.62 -0.56 0.08 0.00 -0.80 0.00 0.00 55.06 54.40 1jyc s HIS 24 Cb -0.48 0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 31.13 1jyc s HIS 24 CO 0.57 -1.18 -0.23 0.96 -2.00 0.00 0.00 174.74 172.86 1jyc s ILE 25 N -3.71 1.85 0.25 -5.38 -4.36 -0.68 -1.86 121.20 107.31 1jyc s ILE 25 Ca 0.17 -1.42 -0.17 0.00 -0.26 0.00 0.00 60.65 58.97 1jyc s ILE 25 Cb -0.04 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 42.06 1jyc s ILE 25 CO 0.09 0.13 0.58 -0.83 0.24 0.00 0.00 174.94 175.16 1jyc s GLY 26 N -1.54 0.14 -0.19 6.27 0.00 -0.88 -1.22 107.32 109.90 1jyc s GLY 26 Ca 0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 1jyc s GLY 26 CO 0.03 -0.33 -0.08 -0.42 0.00 0.00 0.00 173.10 172.30 1jyc s ILE 27 N -3.95 3.15 -0.15 0.90 1.01 -0.85 -0.94 121.20 120.39 1jyc s ILE 27 Ca 0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1jyc s ILE 27 Cb -0.03 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1jyc s ILE 27 CO 0.05 0.46 -0.03 -1.81 0.00 0.00 0.00 174.94 173.62 1jyc s ASP 28 N 1.18 4.89 -0.39 3.58 1.01 0.77 -0.50 116.67 127.21 1jyc s ASP 28 Ca 0.02 -0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.23 1jyc s ASP 28 Cb -0.14 -1.74 0.11 0.00 1.01 0.00 0.00 42.92 42.16 1jyc s ASP 28 CO -0.02 0.20 0.12 -0.63 0.21 0.00 0.00 175.17 175.04 1jyc s ILE 29 N 0.20 2.21 -0.97 0.77 -1.09 -1.26 -1.71 121.20 119.34 1jyc s ILE 29 Ca -0.01 -2.54 0.00 0.00 -2.23 0.00 0.00 60.65 55.87 1jyc s ILE 29 Cb -0.14 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1jyc s ILE 29 CO 0.03 -0.67 0.00 0.29 -1.23 0.00 0.00 174.94 173.35 1jyc n LYS 30 N 3.96 -1.40 -3.63 2.79 5.02 0.58 -4.94 118.16 120.53 1jyc n LYS 30 Ca 0.04 0.78 -0.15 0.00 -2.02 0.00 0.00 58.31 56.96 1jyc n LYS 30 Cb 0.39 -5.01 -0.07 0.00 -0.02 0.00 0.00 35.03 30.32 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 -2.43 -0.56 0.38 4.39 0.15 -1.26 -4.94 113.70 109.42 1jyc s SER 31 Ca 0.00 0.81 0.28 0.00 0.70 0.00 0.00 55.95 57.73 1jyc s SER 31 Cb 0.00 0.79 1.08 0.00 -1.71 0.00 0.00 66.02 66.17 1jyc s SER 31 CO 0.00 -0.41 1.82 1.62 1.20 0.00 0.00 173.24 177.47 1jyc h VAL 32 N 3.67 0.00 -1.84 4.45 3.04 -1.84 -3.39 116.25 120.33 1jyc h VAL 32 Ca -0.28 -0.41 -0.61 0.00 -1.01 0.00 0.00 66.70 64.39 1jyc h VAL 32 Cb 1.16 1.29 -0.12 0.00 -2.01 0.00 0.00 31.29 31.61 1jyc h VAL 32 CO 0.28 0.00 1.15 -0.13 -1.01 0.00 0.00 177.57 177.86 1jyc s ARG 33 N -3.43 3.44 0.23 4.17 0.52 -1.26 -4.98 118.95 117.64 1jyc s ARG 33 Ca 0.04 -1.00 -0.28 0.00 -0.52 0.00 0.00 55.73 53.97 1jyc s ARG 33 Cb 0.09 -4.86 -0.16 0.00 0.52 0.00 0.00 34.95 30.54 1jyc s ARG 33 CO 0.49 -2.06 0.66 0.43 0.02 0.00 0.00 175.30 174.83 1jyc n SER 34 N 8.42 -0.50 0.05 0.23 7.64 -1.26 -4.81 113.62 123.38 1jyc n SER 34 Ca 0.20 1.14 -0.13 0.00 1.01 0.00 0.00 58.87 61.09 1jyc n SER 34 Cb 0.49 -1.05 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 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 1.28 0.48 -3.03 1.43 1.79 -1.15 -3.45 116.57 113.92 1jyc h LYS 35 Ca -0.32 -0.45 -0.15 0.00 -2.18 0.00 0.00 60.65 57.55 1jyc h LYS 35 Cb 1.41 0.11 -0.25 0.00 -1.58 0.00 0.00 32.23 31.92 1jyc h LYS 35 CO 0.58 1.09 -0.38 0.21 -1.08 0.00 0.00 179.45 179.87 1jyc s LYS 36 N -3.47 0.33 0.41 3.15 2.20 -1.25 -5.03 119.74 116.09 1jyc s LYS 36 Ca -0.07 0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.96 1jyc s LYS 36 Cb 0.09 0.16 -0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1jyc s LYS 36 CO 0.87 -0.04 0.03 0.25 -0.36 0.00 0.00 175.35 176.09 1jyc n THR 37 N 2.97 0.00 -3.61 3.43 -2.24 -1.26 -2.00 114.28 111.57 1jyc n THR 37 Ca -0.13 -2.02 -0.03 0.00 -2.27 0.00 0.00 64.05 59.60 1jyc n THR 37 Cb 0.58 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 1jyc n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyc s ALA 38 N -2.78 -2.22 0.20 6.98 0.00 -0.35 -4.96 121.76 118.62 1jyc s ALA 38 Ca 0.04 2.25 -0.32 0.00 0.00 0.00 0.00 51.96 53.93 1jyc s ALA 38 Cb 0.00 -1.70 -0.15 0.00 0.00 0.00 0.00 23.12 21.28 1jyc s ALA 38 CO 0.03 -0.50 1.29 1.17 0.00 0.00 0.00 175.76 177.75 1jyc n LYS 39 N 4.20 1.57 -3.97 0.00 4.81 -1.26 -1.69 118.16 121.82 1jyc n LYS 39 Ca -0.17 0.56 -0.26 0.00 -0.87 0.00 0.00 58.31 57.57 1jyc n LYS 39 Cb 0.56 -2.14 -0.17 0.00 0.02 0.00 0.00 35.03 33.30 1jyc n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1jyc s TRP 40 N -0.07 1.33 -1.06 5.64 -0.00 -0.39 -4.78 118.94 119.61 1jyc s TRP 40 Ca 0.72 -0.61 -0.08 0.00 -0.00 0.00 0.00 56.10 56.12 1jyc s TRP 40 Cb -0.76 -1.13 -0.14 0.00 -0.00 0.00 0.00 33.47 31.44 1jyc s TRP 40 CO 0.50 -0.45 3.03 0.09 -0.00 0.00 0.00 176.95 180.12 1jyc n ASN 41 N 4.81 7.23 -4.35 5.86 3.02 -1.26 -4.38 115.26 126.19 1jyc n ASN 41 Ca -0.13 -2.50 -0.44 0.00 -0.03 0.00 0.00 54.58 51.48 1jyc n ASN 41 Cb 0.50 -1.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.22 1jyc n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1jyc n MET 42 N 3.32 0.08 -3.86 3.52 0.00 -1.26 -4.97 117.12 113.96 1jyc n MET 42 Ca 0.64 0.03 -0.28 0.00 -0.00 0.00 0.00 57.70 58.08 1jyc n MET 42 Cb 0.41 -1.07 -0.16 0.00 0.00 0.00 0.00 33.22 32.40 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 -1.07 1.24 -0.03 2.12 -0.21 -1.26 -5.12 119.66 115.33 1jyc s GLN 43 Ca 0.61 -0.61 -0.30 0.00 0.02 0.00 0.00 55.36 55.08 1jyc s GLN 43 Cb -0.71 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1jyc s GLN 43 CO 0.60 -0.54 1.18 1.21 -2.12 0.00 0.00 175.29 175.62 1jyc s ASN 44 N 1.64 7.09 0.00 5.90 3.84 -1.26 -2.87 114.94 129.28 1jyc s ASN 44 Ca -0.02 1.84 0.00 0.00 0.21 0.00 0.00 52.86 54.90 1jyc s ASN 44 Cb -0.17 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1jyc s ASN 44 CO -0.07 -0.53 0.00 0.61 -2.79 0.00 0.00 177.10 174.32 1jyc n GLY 45 N 3.28 0.92 3.56 1.21 0.00 -0.97 -4.97 105.19 108.23 1jyc n GLY 45 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1jyc n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyc s LYS 46 N -0.66 3.18 0.11 1.61 -0.14 -1.14 -4.99 119.74 117.70 1jyc s LYS 46 Ca 0.00 -0.52 -0.31 0.00 -1.36 0.00 0.00 55.97 53.78 1jyc s LYS 46 Cb 0.00 -2.75 -0.07 0.00 -1.68 0.00 0.00 37.83 33.32 1jyc s LYS 46 CO 0.00 0.49 1.35 0.08 -0.76 0.00 0.00 175.35 176.51 1jyc s VAL 47 N -0.32 3.44 0.51 3.17 1.01 -1.26 -4.45 120.40 122.50 1jyc s VAL 47 Ca 0.05 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1jyc s VAL 47 Cb -0.12 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1jyc s VAL 47 CO 0.02 0.08 0.02 -0.83 0.00 0.00 0.00 175.10 174.40 1jyc s GLY 48 N 1.08 2.99 -0.01 4.51 0.00 -0.05 -4.54 107.32 111.31 1jyc s GLY 48 Ca 0.63 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1jyc s GLY 48 CO 0.30 -2.19 0.00 -1.59 0.00 0.00 0.00 173.10 169.63 1jyc s THR 49 N -2.87 0.05 -0.06 0.90 2.01 -0.49 -1.93 115.64 113.25 1jyc s THR 49 Ca 0.08 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.16 1jyc s THR 49 Cb 0.02 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.43 1jyc s THR 49 CO 0.04 0.05 -0.23 0.00 -0.69 0.00 0.00 174.62 173.78 1jyc s ALA 50 N 0.32 2.04 -0.10 7.40 0.00 -0.65 -1.33 121.76 129.44 1jyc s ALA 50 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1jyc s ALA 50 Cb -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1jyc s ALA 50 CO -0.01 0.38 -0.09 -1.58 0.00 0.00 0.00 175.76 174.46 1jyc s HIS 51 N -0.07 1.48 -0.05 0.00 2.46 0.34 -2.12 115.29 117.33 1jyc s HIS 51 Ca -0.05 -0.68 0.06 0.00 0.47 0.00 0.00 55.06 54.86 1jyc s HIS 51 Cb -0.14 -1.18 -0.01 0.00 -0.13 0.00 0.00 32.58 31.12 1jyc s HIS 51 CO 0.04 -0.44 -0.23 0.42 -2.47 0.00 0.00 174.74 172.06 1jyc s ILE 52 N 1.36 1.89 0.07 0.89 1.09 -0.06 -0.52 121.20 125.92 1jyc s ILE 52 Ca -0.01 -0.98 -0.00 0.00 -1.10 0.00 0.00 60.65 58.55 1jyc s ILE 52 Cb -0.14 -1.59 -0.04 0.00 -1.06 0.00 0.00 42.46 39.63 1jyc s ILE 52 CO -0.04 0.53 -0.03 0.27 -0.10 0.00 0.00 174.94 175.56 1jyc s ILE 53 N -0.20 0.36 -0.28 2.92 -4.36 -0.46 -0.64 121.20 118.54 1jyc s ILE 53 Ca -0.01 -1.86 -0.24 0.00 -0.26 0.00 0.00 60.65 58.28 1jyc s ILE 53 Cb -0.12 -1.61 0.13 0.00 1.25 0.00 0.00 42.46 42.10 1jyc s ILE 53 CO 0.02 -0.92 1.04 -0.47 0.24 0.00 0.00 174.94 174.85 1jyc s TYR 54 N -3.84 -0.47 0.03 1.37 5.04 -0.66 -2.00 117.35 116.82 1jyc s TYR 54 Ca 0.10 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 1jyc s TYR 54 Cb 0.07 0.37 -0.02 0.00 0.35 0.00 0.00 41.96 42.73 1jyc s TYR 54 CO -0.08 -0.23 -0.04 0.54 -1.34 0.00 0.00 175.55 174.41 1jyc s ASN 55 N 0.32 0.39 0.27 4.32 2.20 -1.26 -1.46 114.94 119.72 1jyc s ASN 55 Ca 0.02 -0.53 0.25 0.00 -0.94 0.00 0.00 52.86 51.67 1jyc s ASN 55 Cb -0.05 0.09 0.90 0.00 -2.00 0.00 0.00 41.25 40.19 1jyc s ASN 55 CO -0.07 -0.29 1.75 0.77 -2.94 0.00 0.00 177.10 176.32 1jyc h SER 56 N 4.56 0.00 0.04 3.54 4.64 -0.13 0.28 113.55 126.48 1jyc h SER 56 Ca -0.33 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1jyc h SER 56 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1jyc h SER 56 CO 0.42 0.00 -0.02 0.58 -0.87 0.00 0.00 176.83 176.94 1jyc h VAL 57 N 0.00 1.32 0.00 0.95 2.07 -1.89 -3.33 116.25 115.37 1jyc h VAL 57 Ca 0.00 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 1jyc h VAL 57 Cb 0.58 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1jyc h VAL 57 CO 0.00 0.30 -1.34 0.47 0.02 0.00 0.00 177.57 177.02 1jyc n ASP 58 N -4.86 0.78 -3.76 0.57 8.00 -1.24 -5.00 116.55 111.04 1jyc n ASP 58 Ca -0.09 0.33 -0.23 0.00 0.71 0.00 0.00 54.79 55.51 1jyc n ASP 58 Cb 0.27 0.40 0.03 0.00 -0.02 0.00 0.00 41.12 41.79 1jyc n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jyc n LYS 59 N -2.77 -4.83 -4.86 -1.24 5.02 0.08 -4.92 118.16 104.65 1jyc n LYS 59 Ca -0.07 0.59 -0.27 0.00 -2.02 0.00 0.00 58.31 56.54 1jyc n LYS 59 Cb 0.73 -5.15 -0.16 0.00 -0.02 0.00 0.00 35.03 30.42 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 -6.14 2.04 -0.27 1.97 3.52 -1.26 -1.65 118.95 117.16 1jyc s ARG 60 Ca 0.11 -0.62 -0.09 0.00 -0.13 0.00 0.00 55.73 55.00 1jyc s ARG 60 Cb -0.05 -1.68 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 1jyc s ARG 60 CO 0.82 0.17 0.13 -1.17 -0.81 0.00 0.00 175.30 174.45 1jyc s LEU 61 N 0.27 3.75 0.13 -0.88 2.96 -0.40 -4.08 118.68 120.42 1jyc s LEU 61 Ca -0.10 -0.14 0.09 0.00 -0.22 0.00 0.00 54.13 53.76 1jyc s LEU 61 Cb -0.14 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1jyc s LEU 61 CO 0.04 -0.05 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.37 1jyc s SER 62 N 1.68 2.70 -0.03 3.68 0.01 -0.85 -1.62 113.70 119.28 1jyc s SER 62 Ca 0.07 -0.76 -0.07 0.00 1.31 0.00 0.00 55.95 56.50 1jyc s SER 62 Cb -0.16 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.92 1jyc s SER 62 CO 0.07 0.04 0.16 0.00 0.41 0.00 0.00 173.24 173.92 1jyc s ALA 63 N -1.46 -0.38 -0.03 1.44 0.00 -0.53 -1.35 121.76 119.44 1jyc s ALA 63 Ca 0.11 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1jyc s ALA 63 Cb -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1jyc s ALA 63 CO 0.05 -0.15 -0.08 0.08 0.00 0.00 0.00 175.76 175.67 1jyc s VAL 64 N -0.66 0.73 -0.07 0.00 1.01 0.32 -2.17 120.40 119.56 1jyc s VAL 64 Ca -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1jyc s VAL 64 Cb -0.04 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1jyc s VAL 64 CO 0.01 0.24 -0.11 -0.69 0.00 0.00 0.00 175.10 174.55 1jyc s VAL 65 N 0.41 1.07 0.19 2.92 1.01 -0.57 -0.50 120.40 124.93 1jyc s VAL 65 Ca -0.06 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1jyc s VAL 65 Cb -0.11 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1jyc s VAL 65 CO 0.01 0.34 0.28 -0.94 0.00 0.00 0.00 175.10 174.79 1jyc s SER 66 N 0.81 0.05 0.06 3.32 1.04 -0.44 -1.23 113.70 117.31 1jyc s SER 66 Ca -0.12 -1.03 0.07 0.00 0.48 0.00 0.00 55.95 55.35 1jyc s SER 66 Cb -0.15 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1jyc s SER 66 CO 0.02 -0.93 -0.19 -0.31 0.98 0.00 0.00 173.24 172.80 1jyc s TYR 67 N -4.03 1.68 -0.01 5.02 1.51 -1.26 -1.39 117.35 118.88 1jyc s TYR 67 Ca 0.24 -0.38 -0.36 0.00 -1.01 0.00 0.00 57.07 55.56 1jyc s TYR 67 Cb 0.03 -0.98 -0.15 0.00 -0.11 0.00 0.00 41.96 40.76 1jyc s TYR 67 CO 0.05 0.11 1.61 -2.30 -1.11 0.00 0.00 175.55 173.91 1jyc n PRO 68 N 1.66 1.67 0.00 -1.71 -0.02 -1.26 -1.75 135.00 133.59 1jyc n PRO 68 Ca -0.18 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1jyc n PRO 68 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1jyc n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jyc n ASN 69 N 4.29 0.00 -3.29 2.55 5.03 -1.26 -4.99 115.26 117.59 1jyc n ASN 69 Ca 0.21 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.45 1jyc n ASN 69 Cb 0.23 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 39.15 1jyc n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jyc n ALA 70 N 0.00 -1.67 -2.38 5.41 0.00 -0.72 -5.07 120.51 116.08 1jyc n ALA 70 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 53.44 52.17 1jyc n ALA 70 Cb 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 19.45 19.42 1jyc n ALA 70 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jyc n ASP 71 N -3.92 0.49 -4.43 0.00 3.85 -1.26 -4.67 116.55 106.61 1jyc n ASP 71 Ca 0.11 -1.41 -0.32 0.00 -0.71 0.00 0.00 54.79 52.46 1jyc n ASP 71 Cb 0.41 -0.23 -0.14 0.00 -1.35 0.00 0.00 41.12 39.81 1jyc n ASP 71 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1jyc s SER 72 N -2.45 3.71 -0.16 -1.12 0.01 -1.26 -4.06 113.70 108.36 1jyc s SER 72 Ca 0.24 -0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 1jyc s SER 72 Cb -0.01 -0.67 -0.05 0.00 0.21 0.00 0.00 66.02 65.50 1jyc s SER 72 CO 0.16 0.33 0.20 0.00 0.41 0.00 0.00 173.24 174.33 1jyc s ALA 73 N -0.71 3.69 0.06 1.44 0.00 -0.36 -4.95 121.76 120.93 1jyc s ALA 73 Ca 0.11 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1jyc s ALA 73 Cb -0.10 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 1jyc s ALA 73 CO 0.00 0.23 -0.15 0.99 0.00 0.00 0.00 175.76 176.84 1jyc s THR 74 N 0.08 1.16 -0.17 0.00 2.01 -1.26 -1.51 115.64 115.95 1jyc s THR 74 Ca 0.13 -1.22 -0.15 0.00 0.31 0.00 0.00 61.69 60.76 1jyc s THR 74 Cb -0.12 -1.09 0.05 0.00 0.01 0.00 0.00 72.50 71.35 1jyc s THR 74 CO 0.02 -0.13 0.45 0.54 -0.69 0.00 0.00 174.62 174.81 1jyc s VAL 75 N -1.12 -0.00 0.03 3.82 0.11 -0.92 -4.79 120.40 117.53 1jyc s VAL 75 Ca -0.00 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1jyc s VAL 75 Cb -0.09 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1jyc s VAL 75 CO 0.02 0.00 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.31 1jyc s SER 76 N 0.41 0.48 -0.12 3.54 0.01 -1.26 -1.46 113.70 115.31 1jyc s SER 76 Ca -0.01 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 56.64 1jyc s SER 76 Cb -0.04 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.31 1jyc s SER 76 CO -0.01 -0.28 0.28 -0.47 0.41 0.00 0.00 173.24 173.17 1jyc s TYR 77 N -1.53 -0.37 -0.36 2.43 5.04 -0.64 -4.94 117.35 116.98 1jyc s TYR 77 Ca -0.13 0.86 -0.26 0.00 -2.44 0.00 0.00 57.07 55.10 1jyc s TYR 77 Cb -0.09 0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.33 1jyc s TYR 77 CO -0.01 -0.23 0.95 -0.51 -1.34 0.00 0.00 175.55 174.41 1jyc s ASP 78 N 0.96 6.71 -0.14 4.32 1.01 -1.26 -1.28 116.67 126.99 1jyc s ASP 78 Ca -0.07 0.65 -0.08 0.00 0.71 0.00 0.00 52.55 53.76 1jyc s ASP 78 Cb -0.08 -2.47 0.05 0.00 1.01 0.00 0.00 42.92 41.43 1jyc s ASP 78 CO -0.07 -0.86 0.35 0.54 0.21 0.00 0.00 175.17 175.34 1jyc s VAL 79 N 3.50 -0.03 -0.52 -1.27 0.11 -0.66 -5.00 120.40 116.53 1jyc s VAL 79 Ca 0.39 0.11 -0.23 0.00 -2.93 0.00 0.00 61.98 59.32 1jyc s VAL 79 Cb -0.12 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1jyc s VAL 79 CO 0.18 0.04 0.86 -0.62 -3.33 0.00 0.00 175.10 172.24 1jyc s ASP 80 N 1.27 6.34 0.15 3.54 2.15 -1.26 -4.50 116.67 124.36 1jyc s ASP 80 Ca -0.09 -0.36 0.17 0.00 0.43 0.00 0.00 52.55 52.70 1jyc s ASP 80 Cb -0.09 -2.40 0.76 0.00 -0.30 0.00 0.00 42.92 40.89 1jyc s ASP 80 CO -0.10 -1.11 1.52 0.18 -0.17 0.00 0.00 175.17 175.49 1jyc n LEU 81 N 7.11 0.35 0.26 -1.34 4.77 -1.26 -2.48 117.00 124.40 1jyc n LEU 81 Ca 0.01 0.61 0.15 0.00 -0.03 0.00 0.00 56.01 56.74 1jyc n LEU 81 Cb 0.47 -0.58 0.64 0.00 -2.33 0.00 0.00 43.42 41.62 1jyc n LEU 81 CO 0.61 -0.52 0.94 0.44 -1.33 0.00 0.00 177.39 177.53 1jyc h ASP 82 N 0.00 0.00 -0.47 -1.43 3.32 -1.90 -2.14 116.42 113.80 1jyc h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jyc h ASP 82 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1jyc h ASP 82 CO 0.00 0.09 0.00 0.59 -1.72 0.00 0.00 179.24 178.20 1jyc n ASN 83 N -3.26 3.92 0.00 6.45 3.02 -1.04 -4.54 115.26 119.82 1jyc n ASN 83 Ca -0.00 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1jyc n ASN 83 Cb 0.33 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.60 0.00 -4.43 2.41 0.31 -1.04 -5.09 118.33 111.09 1jyc n VAL 84 Ca 0.20 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.28 1jyc n VAL 84 Cb 0.72 -0.54 -0.11 0.00 -0.91 0.00 0.00 33.84 33.01 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 -3.49 2.59 0.89 7.52 1.43 -0.83 -4.94 118.68 121.85 1jyc s LEU 85 Ca 0.00 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 1jyc s LEU 85 Cb 0.00 -1.21 0.13 0.00 0.03 0.00 0.00 46.19 45.14 1jyc s LEU 85 CO 0.00 0.08 1.12 -2.16 0.23 0.00 0.00 176.35 175.62 1jyc s PRO 86 N -3.11 1.28 0.22 1.29 0.04 -1.26 -4.78 135.00 128.67 1jyc s PRO 86 Ca 0.26 0.39 -0.09 0.00 0.04 0.00 0.00 61.00 61.59 1jyc s PRO 86 Cb -0.07 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 32.81 1jyc s PRO 86 CO 0.13 -2.13 1.89 1.49 0.04 0.00 0.00 177.00 178.42 1jyc h GLU 87 N -1.45 1.04 -5.32 4.56 4.81 -1.95 -3.41 114.58 112.86 1jyc h GLU 87 Ca -0.50 -0.06 -0.64 0.00 -0.13 0.00 0.00 59.36 58.03 1jyc h GLU 87 Cb 1.32 -0.23 -0.22 0.00 0.63 0.00 0.00 28.75 30.24 1jyc h GLU 87 CO 0.61 0.69 -0.68 -1.58 -0.73 0.00 0.00 179.01 177.32 1jyc s TRP 88 N -6.13 3.00 0.32 0.92 0.52 -1.26 -2.51 118.94 113.80 1jyc s TRP 88 Ca -0.13 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.72 1jyc s TRP 88 Cb 0.16 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 1jyc s TRP 88 CO 0.79 -0.04 0.21 1.33 0.02 0.00 0.00 176.95 179.25 1jyc n VAL 89 N 3.50 0.00 -4.36 4.03 0.24 -0.39 -4.32 118.33 117.03 1jyc n VAL 89 Ca -0.17 -2.17 -0.19 0.00 -2.04 0.00 0.00 64.34 59.77 1jyc n VAL 89 Cb 0.52 0.98 -0.15 0.00 -1.47 0.00 0.00 33.84 33.72 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 -3.28 0.74 0.12 7.34 3.52 0.23 -0.03 118.95 127.58 1jyc s ARG 90 Ca 0.30 -0.31 0.06 0.00 -0.13 0.00 0.00 55.73 55.64 1jyc s ARG 90 Cb 0.01 -0.71 -0.04 0.00 -1.56 0.00 0.00 34.95 32.65 1jyc s ARG 90 CO 0.21 0.18 -0.02 0.14 -0.81 0.00 0.00 175.30 175.01 1jyc s VAL 91 N -0.16 3.81 0.05 7.11 -7.23 -1.26 -1.59 120.40 121.13 1jyc s VAL 91 Ca 0.03 -1.18 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 1jyc s VAL 91 Cb -0.04 -2.85 0.03 0.00 0.56 0.00 0.00 36.38 34.08 1jyc s VAL 91 CO -0.00 0.04 0.40 0.61 -0.31 0.00 0.00 175.10 175.84 1jyc n GLY 92 N 0.34 0.91 3.29 2.32 0.00 -0.23 -2.12 105.19 109.71 1jyc n GLY 92 Ca -0.11 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 2.12 0.04 0.99 1.43 -0.22 -0.90 118.68 122.14 1jyc s LEU 93 Ca 0.09 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1jyc s LEU 93 Cb -0.01 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1jyc s LEU 93 CO 0.01 0.25 -0.04 -0.55 0.23 0.00 0.00 176.35 176.25 1jyc s SER 94 N -0.94 0.50 0.11 2.29 0.15 -0.52 -0.93 113.70 114.34 1jyc s SER 94 Ca 0.10 -0.80 -0.25 0.00 0.70 0.00 0.00 55.95 55.70 1jyc s SER 94 Cb -0.09 0.14 0.08 0.00 -1.71 0.00 0.00 66.02 64.44 1jyc s SER 94 CO 0.01 -0.45 0.67 0.00 1.20 0.00 0.00 173.24 174.67 1jyc s ALA 95 N -2.86 -1.66 0.20 5.45 0.00 -0.99 -0.28 121.76 121.63 1jyc s ALA 95 Ca -0.02 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 1jyc s ALA 95 Cb 0.00 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1jyc s ALA 95 CO -0.06 -0.72 0.48 -1.54 0.00 0.00 0.00 175.76 173.92 1jyc s SER 96 N -2.58 -0.18 0.17 0.00 1.04 -1.09 -2.71 113.70 108.35 1jyc s SER 96 Ca 0.01 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1jyc s SER 96 Cb -0.01 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1jyc s SER 96 CO -0.11 -1.05 0.05 0.42 0.98 0.00 0.00 173.24 173.53 1jyc s THR 97 N -3.91 0.34 0.00 2.02 -4.23 -0.37 -0.91 115.64 108.57 1jyc s THR 97 Ca 0.13 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1jyc s THR 97 Cb -0.00 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1jyc s THR 97 CO -0.00 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 1jyc n GLY 98 N -0.21 2.48 0.27 3.99 0.00 -1.26 -1.42 105.19 109.04 1jyc n GLY 98 Ca -0.04 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 1.01 -9.61 0.99 5.85 -1.97 0.54 115.31 112.12 1jyc h LEU 99 Ca 0.00 -0.43 -0.59 0.00 0.84 0.00 0.00 57.88 57.70 1jyc h LEU 99 Cb 0.00 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.66 1jyc h LEU 99 CO 0.00 1.22 -0.62 -0.31 -0.34 0.00 0.00 178.44 178.39 1jyc s TYR 100 N -4.53 2.96 0.24 1.25 2.02 -1.26 -4.91 117.35 113.12 1jyc s TYR 100 Ca -0.11 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1jyc s TYR 100 Cb 0.11 -1.42 -0.05 0.00 -0.40 0.00 0.00 41.96 40.21 1jyc s TYR 100 CO 0.88 0.52 0.10 -1.59 -1.57 0.00 0.00 175.55 173.89 1jyc s LYS 101 N -3.05 1.34 0.23 -0.62 0.00 -1.25 -4.60 119.74 111.79 1jyc s LYS 101 Ca 0.29 -1.72 -0.22 0.00 0.00 0.00 0.00 55.97 54.32 1jyc s LYS 101 Cb -0.09 -0.11 0.04 0.00 0.00 0.00 0.00 37.83 37.67 1jyc s LYS 101 CO 0.21 -0.32 0.70 -1.83 0.00 0.00 0.00 175.35 174.10 1jyc s GLU 102 N -4.07 1.60 0.01 1.78 -1.05 -1.11 -4.19 118.70 111.68 1jyc s GLU 102 Ca 0.38 -0.81 -0.11 0.00 -0.15 0.00 0.00 54.97 54.28 1jyc s GLU 102 Cb 0.08 0.59 -0.05 0.00 -0.44 0.00 0.00 34.13 34.30 1jyc s GLU 102 CO 0.13 -0.72 0.36 0.95 0.95 0.00 0.00 175.26 176.92 1jyc s THR 103 N -3.83 5.14 -0.67 1.83 -4.23 0.41 -4.73 115.64 109.55 1jyc s THR 103 Ca 0.08 0.55 0.05 0.00 -1.18 0.00 0.00 61.69 61.19 1jyc s THR 103 Cb -0.04 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.39 1jyc s THR 103 CO 0.00 0.46 0.70 0.59 -0.54 0.00 0.00 174.62 175.83 1jyc n ASN 104 N 1.43 3.65 -4.71 3.99 4.13 -1.26 -3.35 115.26 119.15 1jyc n ASN 104 Ca -0.12 -3.39 -0.39 0.00 1.68 0.00 0.00 54.58 52.36 1jyc n ASN 104 Cb 0.53 -0.71 -0.05 0.00 -1.54 0.00 0.00 39.78 38.00 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 -2.22 5.09 -0.20 3.41 2.01 -1.15 -2.49 115.64 120.08 1jyc s THR 105 Ca 0.36 1.23 -0.06 0.00 0.31 0.00 0.00 61.69 63.53 1jyc s THR 105 Cb 0.10 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1jyc s THR 105 CO -0.05 0.25 0.04 -0.63 -0.69 0.00 0.00 174.62 173.54 1jyc s ILE 106 N 0.96 4.35 -0.06 1.82 -1.09 -0.53 -1.11 121.20 125.54 1jyc s ILE 106 Ca 0.32 -0.18 0.22 0.00 -2.23 0.00 0.00 60.65 58.78 1jyc s ILE 106 Cb -0.16 -2.98 -0.31 0.00 -1.58 0.00 0.00 42.46 37.43 1jyc s ILE 106 CO 0.14 0.42 0.49 0.18 -1.23 0.00 0.00 174.94 174.94 1jyc n LEU 107 N 4.11 0.07 -3.56 2.97 4.32 -0.37 -1.71 117.00 122.83 1jyc n LEU 107 Ca -0.17 0.03 -0.12 0.00 -0.02 0.00 0.00 56.01 55.73 1jyc n LEU 107 Cb 0.52 0.04 -0.05 0.00 -1.62 0.00 0.00 43.42 42.30 1jyc n LEU 107 CO 0.33 0.03 0.71 -0.94 -1.22 0.00 0.00 177.39 176.29 1jyc s SER 108 N -4.67 -0.43 -0.12 -1.43 1.04 -1.24 -4.61 113.70 102.24 1jyc s SER 108 Ca -0.08 0.45 -0.07 0.00 0.48 0.00 0.00 55.95 56.74 1jyc s SER 108 Cb 0.13 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.65 1jyc s SER 108 CO 0.89 -0.40 0.30 0.86 0.98 0.00 0.00 173.24 175.87 1jyc s TRP 109 N -1.18 -0.40 0.07 5.02 -0.00 0.70 -1.93 118.94 121.23 1jyc s TRP 109 Ca -0.03 0.91 0.04 0.00 -0.00 0.00 0.00 56.10 57.02 1jyc s TRP 109 Cb -0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 33.47 33.55 1jyc s TRP 109 CO 0.03 -0.25 -0.12 -1.12 -0.00 0.00 0.00 176.95 175.49 1jyc s SER 110 N 1.11 1.46 -0.18 5.86 0.01 0.11 0.67 113.70 122.73 1jyc s SER 110 Ca -0.08 -0.66 -0.20 0.00 1.31 0.00 0.00 55.95 56.32 1jyc s SER 110 Cb -0.08 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.18 1jyc s SER 110 CO -0.08 -0.15 0.56 0.12 0.41 0.00 0.00 173.24 174.09 1jyc s PHE 111 N -1.60 -0.59 -0.09 2.43 5.36 -0.61 -1.25 117.98 121.62 1jyc s PHE 111 Ca -0.02 1.37 -0.04 0.00 -0.96 0.00 0.00 56.93 57.29 1jyc s PHE 111 Cb -0.08 0.22 0.04 0.00 -0.34 0.00 0.00 43.02 42.87 1jyc s PHE 111 CO 0.01 -0.34 0.20 0.99 -1.46 0.00 0.00 175.22 174.62 1jyc s THR 112 N 0.01 -0.06 0.01 0.12 2.01 -0.66 -1.59 115.64 115.50 1jyc s THR 112 Ca -0.02 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.19 1jyc s THR 112 Cb -0.04 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1jyc s THR 112 CO 0.02 0.07 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.34 1jyc s SER 113 N 1.27 1.58 -0.04 3.53 0.15 -0.36 -1.42 113.70 118.41 1jyc s SER 113 Ca -0.09 -0.34 -0.05 0.00 0.70 0.00 0.00 55.95 56.17 1jyc s SER 113 Cb -0.11 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.07 1jyc s SER 113 CO -0.07 0.10 0.13 -0.54 1.20 0.00 0.00 173.24 174.06 1jyc s LYS 114 N -0.70 0.21 -0.05 5.44 1.02 -0.23 -1.67 119.74 123.76 1jyc s LYS 114 Ca 0.03 0.08 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 1jyc s LYS 114 Cb -0.06 0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.37 1jyc s LYS 114 CO 0.00 -0.03 0.01 -0.51 -0.92 0.00 0.00 175.35 173.90 1jyc s LEU 115 N -0.18 0.78 -0.07 3.17 1.02 -0.14 -1.87 118.68 121.39 1jyc s LEU 115 Ca -0.03 -0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.10 1jyc s LEU 115 Cb -0.02 -0.30 -0.03 0.00 0.02 0.00 0.00 46.19 45.86 1jyc s LEU 115 CO 0.00 -0.16 -0.09 -0.75 0.02 0.00 0.00 176.35 175.38 1jyc s LYS 116 N 1.56 2.80 0.00 1.70 2.20 -0.70 -0.29 119.74 127.01 1jyc s LYS 116 Ca -0.02 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 1jyc s LYS 116 Cb -0.13 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 1jyc s LYS 116 CO -0.03 0.60 0.00 0.43 -0.36 0.00 0.00 175.35 175.99 1jyc n SER 117 N 2.42 1.98 -2.88 1.43 7.64 -0.80 -0.14 113.62 123.27 1jyc n SER 117 Ca -0.18 -0.37 -0.13 0.00 1.01 0.00 0.00 58.87 59.21 1jyc n SER 117 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1jyc n SER 117 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jyc n ASN 118 N -0.37 3.27 -3.61 6.43 3.02 -1.26 -4.60 115.26 118.14 1jyc n ASN 118 Ca 0.00 -2.14 -0.03 0.00 -0.03 0.00 0.00 54.58 52.38 1jyc n ASN 118 Cb 0.00 -0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 38.26 1jyc n ASN 118 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jyc s SER 119 N 3.44 -0.67 0.08 6.41 0.01 -1.26 -5.09 113.70 116.63 1jyc s SER 119 Ca 0.29 1.02 -0.30 0.00 1.31 0.00 0.00 55.95 58.27 1jyc s SER 119 Cb 0.09 1.40 -0.10 0.00 0.21 0.00 0.00 66.02 67.63 1jyc s SER 119 CO -0.02 -0.16 1.91 -0.89 0.41 0.00 0.00 173.24 174.49 1jyc s THR 120 N 1.70 2.77 -0.29 1.44 2.01 -1.26 -1.68 115.64 120.33 1jyc s THR 120 Ca -0.08 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1jyc s THR 120 Cb -0.05 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1jyc s THR 120 CO -0.17 -0.00 0.00 1.57 -0.69 0.00 0.00 174.62 175.33 1jyc n HIS 121 N 6.66 0.00 -3.34 4.92 -0.00 -1.26 -4.98 115.22 117.22 1jyc n HIS 121 Ca 0.19 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.47 1jyc n HIS 121 Cb 0.40 -1.08 -0.07 0.00 -0.00 0.00 0.00 29.99 29.23 1jyc n HIS 121 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1jyc s GLU 122 N -1.43 3.01 0.03 1.57 0.41 -0.68 -5.03 118.70 116.59 1jyc s GLU 122 Ca 0.00 -1.24 0.04 0.00 -0.41 0.00 0.00 54.97 53.36 1jyc s GLU 122 Cb 0.00 -4.12 -0.02 0.00 -1.78 0.00 0.00 34.13 28.21 1jyc s GLU 122 CO 0.00 -1.05 -0.11 0.99 -0.49 0.00 0.00 175.26 174.59 1jyc s THR 123 N 1.85 0.86 -0.05 3.63 2.01 -1.26 -1.90 115.64 120.78 1jyc s THR 123 Ca 0.06 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1jyc s THR 123 Cb -0.23 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1jyc s THR 123 CO 0.08 -0.05 -0.15 0.20 -0.69 0.00 0.00 174.62 174.01 1jyc s ASN 124 N -1.04 4.00 0.02 3.53 -0.87 0.60 -4.95 114.94 116.23 1jyc s ASN 124 Ca -0.01 -0.21 -0.09 0.00 -1.57 0.00 0.00 52.86 50.99 1jyc s ASN 124 Cb -0.07 -0.86 0.00 0.00 -0.02 0.00 0.00 41.25 40.30 1jyc s ASN 124 CO 0.01 0.34 0.17 0.00 -2.57 0.00 0.00 177.10 175.05 1jyc s ALA 125 N -0.69 -0.34 -0.02 0.60 0.00 -1.26 -0.97 121.76 119.08 1jyc s ALA 125 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1jyc s ALA 125 Cb -0.11 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1jyc s ALA 125 CO 0.01 -0.30 -0.06 -1.17 0.00 0.00 0.00 175.76 174.23 1jyc s LEU 126 N -1.83 1.73 -0.11 0.00 2.96 -0.67 -5.00 118.68 115.76 1jyc s LEU 126 Ca -0.09 -0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1jyc s LEU 126 Cb -0.03 -0.42 0.04 0.00 0.50 0.00 0.00 46.19 46.27 1jyc s LEU 126 CO -0.02 0.03 0.29 -2.28 -1.32 0.00 0.00 176.35 173.06 1jyc s HIS 127 N 0.27 -0.35 -0.01 5.38 5.65 -1.26 -1.23 115.29 123.74 1jyc s HIS 127 Ca -0.04 0.83 -0.09 0.00 0.25 0.00 0.00 55.06 56.01 1jyc s HIS 127 Cb -0.08 0.11 0.01 0.00 -1.18 0.00 0.00 32.58 31.44 1jyc s HIS 127 CO 0.00 -0.19 0.19 -0.59 -0.65 0.00 0.00 174.74 173.50 1jyc s PHE 128 N 0.57 -0.06 -0.02 3.88 -0.12 -0.62 -5.02 117.98 116.59 1jyc s PHE 128 Ca -0.03 0.08 -0.00 0.00 -0.05 0.00 0.00 56.93 56.93 1jyc s PHE 128 Cb -0.05 0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.38 1jyc s PHE 128 CO -0.03 -0.29 0.03 1.41 -0.05 0.00 0.00 175.22 176.29 1jyc s MET 129 N -1.13 -0.01 -0.19 1.99 1.75 -1.26 -1.58 119.30 118.87 1jyc s MET 129 Ca -0.12 0.20 -0.00 0.00 -1.25 0.00 0.00 55.69 54.52 1jyc s MET 129 Cb -0.06 -0.31 0.01 0.00 2.84 0.00 0.00 34.83 37.31 1jyc s MET 129 CO 0.02 -0.19 -0.15 -0.06 -0.65 0.00 0.00 175.02 173.99 1jyc s PHE 130 N 1.23 2.83 -0.01 4.11 0.08 0.21 -4.93 117.98 121.50 1jyc s PHE 130 Ca -0.07 -1.32 0.02 0.00 0.12 0.00 0.00 56.93 55.67 1jyc s PHE 130 Cb -0.13 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1jyc s PHE 130 CO -0.03 -0.67 0.02 0.09 -0.10 0.00 0.00 175.22 174.53 1jyc n ASN 131 N 4.55 4.60 -4.28 1.36 3.02 -1.26 -0.21 115.26 123.03 1jyc n ASN 131 Ca -0.20 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.10 1jyc n ASN 131 Cb 0.51 0.70 -0.13 0.00 -0.61 0.00 0.00 39.78 40.24 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 -2.06 1.27 -0.15 3.52 -0.21 -1.26 -4.67 119.66 116.09 1jyc s GLN 132 Ca -0.01 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.28 1jyc s GLN 132 Cb 0.01 -1.50 0.03 0.00 1.00 0.00 0.00 33.01 32.55 1jyc s GLN 132 CO 0.07 0.36 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.43 1jyc s PHE 133 N -1.01 2.00 0.67 0.91 0.08 0.81 -5.01 117.98 116.44 1jyc s PHE 133 Ca 0.08 -1.16 -0.11 0.00 0.12 0.00 0.00 56.93 55.86 1jyc s PHE 133 Cb -0.10 -1.49 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1jyc s PHE 133 CO 0.03 -0.64 1.05 -1.12 -0.10 0.00 0.00 175.22 174.44 1jyc s SER 134 N 1.54 5.67 0.44 1.36 0.01 -1.26 -3.28 113.70 118.18 1jyc s SER 134 Ca 0.04 1.53 0.15 0.00 1.31 0.00 0.00 55.95 58.97 1jyc s SER 134 Cb -0.14 -2.47 0.97 0.00 0.21 0.00 0.00 66.02 64.60 1jyc s SER 134 CO -0.09 -1.25 1.97 0.07 0.41 0.00 0.00 173.24 174.35 1jyc h LYS 135 N -0.58 0.00 -3.12 12.44 2.10 -1.87 -3.27 116.57 122.28 1jyc h LYS 135 Ca -0.44 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.59 1jyc h LYS 135 Cb 1.20 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 32.12 1jyc h LYS 135 CO 0.59 0.21 -0.56 0.34 -2.00 0.00 0.00 179.45 178.03 1jyc s ASP 136 N -6.95 4.84 -1.17 7.07 2.15 -1.26 -4.74 116.67 116.61 1jyc s ASP 136 Ca -0.04 -3.79 -0.15 0.00 0.43 0.00 0.00 52.55 49.00 1jyc s ASP 136 Cb 0.15 -1.65 0.15 0.00 -0.30 0.00 0.00 42.92 41.28 1jyc s ASP 136 CO 0.70 -0.10 1.42 -1.58 -0.17 0.00 0.00 175.17 175.43 1jyc s GLN 137 N -1.37 4.01 0.08 4.34 2.00 -1.23 -4.86 119.66 122.62 1jyc s GLN 137 Ca 0.24 -2.40 0.09 0.00 -2.00 0.00 0.00 55.36 51.30 1jyc s GLN 137 Cb -0.06 -5.09 0.43 0.00 0.80 0.00 0.00 33.01 29.09 1jyc s GLN 137 CO -0.15 -1.81 1.28 1.63 -0.50 0.00 0.00 175.29 175.73 1jyc n LYS 138 N 6.05 0.04 -0.39 1.67 5.02 -1.26 -1.70 118.16 127.59 1jyc n LYS 138 Ca 0.36 0.47 0.11 0.00 -2.02 0.00 0.00 58.31 57.23 1jyc n LYS 138 Cb 0.44 -1.62 0.32 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.70 3.88 -4.33 4.39 5.75 -1.26 -4.89 116.55 118.38 1jyc n ASP 139 Ca 0.01 -2.06 -0.27 0.00 -0.01 0.00 0.00 54.79 52.46 1jyc n ASP 139 Cb 0.06 -0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 39.53 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 -1.10 2.27 -0.36 -2.12 1.43 -0.69 -0.96 118.68 117.15 1jyc s LEU 140 Ca 0.47 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1jyc s LEU 140 Cb 0.25 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 45.45 1jyc s LEU 140 CO 0.31 0.15 0.12 -0.63 0.23 0.00 0.00 176.35 176.53 1jyc s ILE 141 N -1.02 3.55 -0.16 -0.59 1.01 0.45 -4.84 121.20 119.59 1jyc s ILE 141 Ca 0.10 -1.43 -0.18 0.00 0.00 0.00 0.00 60.65 59.14 1jyc s ILE 141 Cb -0.10 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1jyc s ILE 141 CO 0.04 -0.32 0.49 -0.76 0.00 0.00 0.00 174.94 174.39 1jyc s LEU 142 N 1.31 4.20 0.16 2.97 1.43 -1.26 -1.40 118.68 126.10 1jyc s LEU 142 Ca 0.00 0.72 0.11 0.00 -1.03 0.00 0.00 54.13 53.93 1jyc s LEU 142 Cb -0.21 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1jyc s LEU 142 CO 0.00 -0.09 -0.25 -1.10 0.23 0.00 0.00 176.35 175.14 1jyc s GLN 143 N 1.17 1.43 5.92 1.70 -0.21 -0.34 -4.95 119.66 124.38 1jyc s GLN 143 Ca 0.24 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 54.20 1jyc s GLN 143 Cb -0.15 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.05 1jyc s GLN 143 CO 0.10 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 174.08 1jyc n GLY 144 N 0.58 2.51 0.16 3.09 0.00 -1.26 -1.55 105.19 108.72 1jyc n GLY 144 Ca -0.15 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 2.35 0.50 -4.73 1.61 8.00 0.16 -4.93 116.55 119.51 1jyc n ASP 145 Ca 0.00 -1.48 -0.40 0.00 0.71 0.00 0.00 54.79 53.62 1jyc n ASP 145 Cb 0.00 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.47 1.58 -3.07 2.24 0.00 -1.14 -4.48 120.51 115.17 1jyc n ALA 146 Ca 0.15 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 1jyc n ALA 146 Cb 0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.23 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 -1.23 0.06 0.22 0.00 -4.23 -0.29 -4.78 115.64 105.40 1jyc s THR 147 Ca 0.64 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 1jyc s THR 147 Cb -0.46 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.19 1jyc s THR 147 CO 0.56 -0.27 0.07 0.42 -0.54 0.00 0.00 174.62 174.86 1jyc s THR 148 N -3.76 0.54 0.00 3.99 -4.23 -1.26 -0.82 115.64 110.09 1jyc s THR 148 Ca 0.02 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1jyc s THR 148 Cb 0.01 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1jyc s THR 148 CO -0.12 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1jyc n GLY 149 N -0.37 2.43 3.56 3.99 0.00 -0.99 -4.44 105.19 109.37 1jyc n GLY 149 Ca -0.02 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.35 3.28 -1.35 2.61 -4.23 -1.25 -2.30 115.64 111.04 1jyc s THR 150 Ca 0.00 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1jyc s THR 150 Cb 0.00 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1jyc s THR 150 CO 0.00 -0.57 0.00 0.47 -0.54 0.00 0.00 174.62 173.98 1jyc n ASP 151 N 13.09 -4.52 0.00 3.99 9.92 -1.26 -1.76 116.55 136.00 1jyc n ASP 151 Ca 0.25 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 1jyc n ASP 151 Cb 0.52 -3.52 0.00 0.00 -0.64 0.00 0.00 41.12 37.47 1jyc n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyc n GLY 152 N -1.10 0.35 4.00 0.44 0.00 -0.97 -4.95 105.19 102.96 1jyc n GLY 152 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.16 5.39 -0.30 1.61 0.01 -0.72 -0.13 114.94 118.64 1jyc s ASN 153 Ca 0.00 -0.35 -0.01 0.00 -0.71 0.00 0.00 52.86 51.79 1jyc s ASN 153 Cb 0.00 -0.56 0.06 0.00 0.41 0.00 0.00 41.25 41.15 1jyc s ASN 153 CO 0.00 -1.02 -0.00 -0.22 -1.51 0.00 0.00 177.10 174.35 1jyc s LEU 154 N -4.56 3.93 -0.43 0.60 2.96 -0.69 -2.36 118.68 118.13 1jyc s LEU 154 Ca 0.57 -1.35 -0.20 0.00 -0.22 0.00 0.00 54.13 52.93 1jyc s LEU 154 Cb -0.09 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.93 1jyc s LEU 154 CO 0.36 -0.27 0.59 -1.61 -1.32 0.00 0.00 176.35 174.10 1jyc s GLU 155 N 1.22 3.25 0.33 1.98 0.41 -0.00 -1.46 118.70 124.43 1jyc s GLU 155 Ca -0.05 -0.45 0.13 0.00 -0.41 0.00 0.00 54.97 54.20 1jyc s GLU 155 Cb -0.20 -3.95 0.57 0.00 -1.78 0.00 0.00 34.13 28.78 1jyc s GLU 155 CO -0.02 -0.96 1.72 -0.07 -0.49 0.00 0.00 175.26 175.44 1jyc h LEU 156 N 9.53 0.00 -8.88 1.80 3.38 -1.74 -0.74 115.31 118.65 1jyc h LEU 156 Ca -0.26 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.35 1jyc h LEU 156 Cb 1.10 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 1jyc h LEU 156 CO 0.87 0.47 -0.64 0.42 0.09 0.00 0.00 178.44 179.65 1jyc s THR 157 N -3.82 0.87 0.45 0.22 -4.23 -1.26 -2.87 115.64 105.00 1jyc s THR 157 Ca -0.02 -2.01 -0.24 0.00 -1.18 0.00 0.00 61.69 58.24 1jyc s THR 157 Cb 0.13 -2.41 -0.09 0.00 1.34 0.00 0.00 72.50 71.47 1jyc s THR 157 CO 0.73 -0.24 1.28 0.54 -0.54 0.00 0.00 174.62 176.39 1jyc n ARG 158 N -0.42 1.87 0.00 3.99 5.12 -1.26 -4.84 116.66 121.11 1jyc n ARG 158 Ca -0.04 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.55 1jyc n ARG 158 Cb 0.65 -2.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 1jyc n ARG 158 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1jyc n VAL 159 N -0.42 0.00 -0.73 1.55 0.31 -1.26 -2.06 118.33 115.71 1jyc n VAL 159 Ca 0.07 -0.02 0.10 0.00 -0.01 0.00 0.00 64.34 64.48 1jyc n VAL 159 Cb 0.41 0.55 -0.03 0.00 -0.91 0.00 0.00 33.84 33.86 1jyc n VAL 159 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jyc n SER 160 N -0.08 -4.36 -0.03 4.52 3.41 -1.25 -0.92 113.62 114.90 1jyc n SER 160 Ca 0.00 0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1jyc n SER 160 Cb 0.00 -2.29 -0.06 0.00 -0.26 0.00 0.00 64.21 61.59 1jyc n SER 160 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jyc h SER 161 N -0.69 0.18 0.00 4.04 0.02 -2.02 -3.01 113.55 112.07 1jyc h SER 161 Ca -0.02 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1jyc h SER 161 Cb 0.68 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1jyc h SER 161 CO 0.02 0.39 0.00 -0.46 -1.14 0.00 0.00 176.83 175.64 1jyc n ASN 162 N -4.84 0.38 -0.71 3.07 0.23 -1.26 -4.86 115.26 107.27 1jyc n ASN 162 Ca -0.06 -1.82 -0.09 0.00 -0.53 0.00 0.00 54.58 52.08 1jyc n ASN 162 Cb 0.17 -0.19 -0.04 0.00 -2.08 0.00 0.00 39.78 37.64 1jyc n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jyc n GLY 163 N 0.26 1.09 3.66 4.83 0.00 -1.14 -5.02 105.19 108.87 1jyc n GLY 163 Ca 0.00 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1jyc n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jyc s SER 164 N -2.86 6.29 0.66 1.61 1.04 -0.10 -4.95 113.70 115.39 1jyc s SER 164 Ca 0.00 0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.58 1jyc s SER 164 Cb 0.00 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.93 1jyc s SER 164 CO 0.00 -0.03 1.19 -0.81 0.98 0.00 0.00 173.24 174.57 1jyc n PRO 165 N 4.51 0.94 -4.11 4.02 -0.04 -1.25 -3.94 135.00 135.14 1jyc n PRO 165 Ca -0.11 0.38 -0.28 0.00 -0.04 0.00 0.00 63.50 63.45 1jyc n PRO 165 Cb 0.51 -2.43 -0.07 0.00 -0.04 0.00 0.00 33.50 31.48 1jyc n PRO 165 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1jyc s GLN 166 N -3.31 2.73 0.72 0.54 -1.52 -0.88 -4.87 119.66 113.07 1jyc s GLN 166 Ca 0.80 -0.89 -0.06 0.00 -1.95 0.00 0.00 55.36 53.26 1jyc s GLN 166 Cb -0.38 -2.58 0.08 0.00 -0.22 0.00 0.00 33.01 29.91 1jyc s GLN 166 CO 0.43 0.50 1.03 0.20 -0.25 0.00 0.00 175.29 177.20 1jyc s GLY 167 N -2.81 1.71 -1.28 3.09 0.00 -1.26 -4.45 107.32 102.32 1jyc s GLY 167 Ca 0.29 -1.05 -0.18 0.00 0.00 0.00 0.00 44.72 43.77 1jyc s GLY 167 CO 0.21 -0.61 0.56 1.44 0.00 0.00 0.00 173.10 174.71 1jyc n SER 168 N -2.96 -2.95 -4.26 1.64 7.64 0.18 -4.80 113.62 108.11 1jyc n SER 168 Ca 0.09 -1.15 -0.21 0.00 1.01 0.00 0.00 58.87 58.62 1jyc n SER 168 Cb 0.60 -2.48 -0.12 0.00 -1.01 0.00 0.00 64.21 61.21 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 -3.81 2.27 -0.15 6.43 0.15 -1.13 -4.94 113.70 112.52 1jyc s SER 169 Ca 0.31 -0.75 -0.12 0.00 0.70 0.00 0.00 55.95 56.10 1jyc s SER 169 Cb -0.14 -0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1jyc s SER 169 CO 0.93 -0.04 0.39 -0.69 1.20 0.00 0.00 173.24 175.02 1jyc s VAL 170 N -1.64 -0.01 0.06 4.45 1.01 -1.26 -1.23 120.40 121.77 1jyc s VAL 170 Ca 0.08 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1jyc s VAL 170 Cb -0.08 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1jyc s VAL 170 CO 0.04 0.01 0.50 -0.83 0.00 0.00 0.00 175.10 174.83 1jyc s GLY 171 N 0.63 -0.40 0.11 4.51 0.00 -1.10 0.39 107.32 111.45 1jyc s GLY 171 Ca -0.03 0.52 -0.03 0.00 0.00 0.00 0.00 44.72 45.17 1jyc s GLY 171 CO -0.04 0.22 0.09 0.50 0.00 0.00 0.00 173.10 173.87 1jyc s ARG 172 N -2.58 0.87 -0.09 2.90 0.52 -0.59 -2.33 118.95 117.64 1jyc s ARG 172 Ca -0.05 -1.28 -0.04 0.00 -0.52 0.00 0.00 55.73 53.85 1jyc s ARG 172 Cb -0.01 0.27 0.05 0.00 0.52 0.00 0.00 34.95 35.78 1jyc s ARG 172 CO -0.03 -0.25 0.18 0.00 0.02 0.00 0.00 175.30 175.22 1jyc s ALA 173 N -3.98 -0.25 0.08 2.13 0.00 -0.11 -1.20 121.76 118.43 1jyc s ALA 173 Ca 0.16 0.65 0.09 0.00 0.00 0.00 0.00 51.96 52.87 1jyc s ALA 173 Cb 0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1jyc s ALA 173 CO -0.03 -0.51 -0.25 -0.51 0.00 0.00 0.00 175.76 174.46 1jyc s LEU 174 N 2.12 2.23 0.25 0.00 1.02 -0.49 -1.06 118.68 122.76 1jyc s LEU 174 Ca 0.01 -0.64 -0.30 0.00 0.02 0.00 0.00 54.13 53.22 1jyc s LEU 174 Cb -0.12 -1.16 -0.09 0.00 0.02 0.00 0.00 46.19 44.84 1jyc s LEU 174 CO -0.06 0.19 1.31 0.12 0.02 0.00 0.00 176.35 177.93 1jyc s PHE 175 N -0.92 3.19 0.14 0.29 5.36 -0.90 -0.41 117.98 124.72 1jyc s PHE 175 Ca 0.11 1.30 -0.22 0.00 -0.96 0.00 0.00 56.93 57.16 1jyc s PHE 175 Cb -0.10 -3.63 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 1jyc s PHE 175 CO 0.03 -1.87 1.66 -0.92 -1.46 0.00 0.00 175.22 172.66 1jyc h TYR 176 N 4.57 -0.43 -3.75 10.12 3.20 -1.37 -3.44 116.97 125.87 1jyc h TYR 176 Ca -0.46 0.03 -0.50 0.00 3.14 0.00 0.00 58.73 60.93 1jyc h TYR 176 Cb 1.22 0.22 0.01 0.00 1.54 0.00 0.00 36.73 39.72 1jyc h TYR 176 CO 0.59 -0.24 0.45 0.00 -1.64 0.00 0.00 178.16 177.33 1jyc s ALA 177 N -6.14 3.39 0.77 1.82 0.00 -1.26 -5.03 121.76 115.31 1jyc s ALA 177 Ca -0.14 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 1jyc s ALA 177 Cb 0.11 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.98 1jyc s ALA 177 CO 0.68 -0.10 1.12 -2.14 0.00 0.00 0.00 175.76 175.32 1jyc s PRO 178 N -1.19 2.13 -0.02 0.00 0.02 -1.26 -4.85 135.00 129.84 1jyc s PRO 178 Ca 0.45 1.37 0.07 0.00 0.02 0.00 0.00 61.00 62.91 1jyc s PRO 178 Cb -0.30 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.33 1jyc s PRO 178 CO 0.38 -1.76 -0.24 0.08 -0.33 0.00 0.00 177.00 175.13 1jyc s VAL 179 N -2.60 1.88 -0.77 3.83 1.01 0.95 -4.96 120.40 119.73 1jyc s VAL 179 Ca 0.65 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1jyc s VAL 179 Cb -0.21 -1.56 0.14 0.00 0.00 0.00 0.00 36.38 34.75 1jyc s VAL 179 CO 0.51 0.53 0.89 -2.28 0.00 0.00 0.00 175.10 174.75 1jyc s HIS 180 N -0.56 3.18 -0.80 5.22 2.46 -1.26 -1.26 115.29 122.27 1jyc s HIS 180 Ca 0.09 -1.31 0.26 0.00 0.47 0.00 0.00 55.06 54.58 1jyc s HIS 180 Cb -0.09 -4.09 0.81 0.00 -0.13 0.00 0.00 32.58 29.08 1jyc s HIS 180 CO -0.01 -1.33 1.71 1.51 -2.47 0.00 0.00 174.74 174.16 1jyc n ILE 181 N 5.22 0.38 -3.63 0.89 0.13 -1.04 -4.90 119.36 116.40 1jyc n ILE 181 Ca 0.08 -0.20 -0.03 0.00 -1.10 0.00 0.00 62.75 61.50 1jyc n ILE 181 Cb 0.46 -0.44 -0.01 0.00 -0.84 0.00 0.00 39.64 38.81 1jyc n ILE 181 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 1jyc s TRP 182 N -3.08 -0.14 -0.20 9.51 1.48 -1.25 -4.86 118.94 120.39 1jyc s TRP 182 Ca 0.11 -0.02 -0.27 0.00 -1.06 0.00 0.00 56.10 54.85 1jyc s TRP 182 Cb 0.14 0.57 0.10 0.00 -1.16 0.00 0.00 33.47 33.12 1jyc s TRP 182 CO 0.61 -0.47 0.90 -2.00 -4.06 0.00 0.00 176.95 171.92 1jyc s GLU 183 N -2.81 0.70 0.15 3.25 2.12 -1.26 -4.79 118.70 116.05 1jyc s GLU 183 Ca 0.11 0.49 -0.21 0.00 0.36 0.00 0.00 54.97 55.72 1jyc s GLU 183 Cb 0.01 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.76 1jyc s GLU 183 CO -0.03 -0.15 1.65 0.77 -0.54 0.00 0.00 175.26 176.96 1jyc h SER 184 N 3.69 -0.57 -0.30 -1.70 0.02 -2.02 -1.88 113.55 110.79 1jyc h SER 184 Ca -0.25 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1jyc h SER 184 Cb 1.16 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 1jyc h SER 184 CO 0.20 -0.22 0.21 -1.28 -1.14 0.00 0.00 176.83 174.60 1jyc h SER 185 N -0.17 0.11 -1.52 3.07 0.87 -1.97 -3.44 113.55 110.50 1jyc h SER 185 Ca 0.13 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.97 1jyc h SER 185 Cb 0.37 -0.02 0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1jyc h SER 185 CO -0.33 0.07 0.55 0.00 -0.53 0.00 0.00 176.83 176.59 1jyc n ALA 186 N -2.56 -1.10 0.02 6.23 0.00 -0.71 -4.24 120.51 118.14 1jyc n ALA 186 Ca 0.03 0.49 -0.21 0.00 0.00 0.00 0.00 53.44 53.75 1jyc n ALA 186 Cb 0.28 -2.07 -0.14 0.00 0.00 0.00 0.00 19.45 17.52 1jyc n ALA 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jyc h VAL 187 N 3.94 1.14 -3.21 0.00 2.07 -0.83 -3.46 116.25 115.91 1jyc h VAL 187 Ca -0.48 -2.43 -0.28 0.00 0.82 0.00 0.00 66.70 64.33 1jyc h VAL 187 Cb 1.34 2.82 -0.34 0.00 -1.52 0.00 0.00 31.29 33.59 1jyc h VAL 187 CO 0.83 0.70 -0.64 -0.69 0.02 0.00 0.00 177.57 177.79 1jyc s VAL 188 N -2.47 -0.15 -0.03 2.57 1.01 -1.25 -4.85 120.40 115.23 1jyc s VAL 188 Ca -0.18 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1jyc s VAL 188 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1jyc s VAL 188 CO 0.78 0.12 -0.11 0.00 0.00 0.00 0.00 175.10 175.88 1jyc s ALA 189 N 1.73 1.05 0.18 5.51 0.00 -1.26 -1.72 121.76 127.25 1jyc s ALA 189 Ca -0.03 -0.41 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 1jyc s ALA 189 Cb -0.12 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.66 1jyc s ALA 189 CO -0.05 0.17 0.57 -1.54 0.00 0.00 0.00 175.76 174.90 1jyc s SER 190 N 0.22 -0.39 0.03 0.00 1.04 -0.78 0.69 113.70 114.51 1jyc s SER 190 Ca -0.05 -0.26 -0.21 0.00 0.48 0.00 0.00 55.95 55.92 1jyc s SER 190 Cb -0.10 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1jyc s SER 190 CO 0.01 -1.03 0.47 0.72 0.98 0.00 0.00 173.24 174.39 1jyc s PHE 191 N -3.82 -0.35 -0.10 5.02 -0.12 -0.54 -1.07 117.98 117.01 1jyc s PHE 191 Ca 0.05 0.40 -0.08 0.00 -0.05 0.00 0.00 56.93 57.25 1jyc s PHE 191 Cb -0.01 0.28 0.03 0.00 -0.63 0.00 0.00 43.02 42.68 1jyc s PHE 191 CO -0.07 -0.59 0.25 -1.83 -0.05 0.00 0.00 175.22 172.93 1jyc s GLU 192 N -2.28 0.28 0.06 1.99 -1.05 -0.51 -1.65 118.70 115.54 1jyc s GLU 192 Ca -0.06 0.38 0.05 0.00 -0.15 0.00 0.00 54.97 55.18 1jyc s GLU 192 Cb -0.01 0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1jyc s GLU 192 CO -0.01 -0.06 -0.13 0.00 0.95 0.00 0.00 175.26 176.01 1jyc s ALA 193 N 0.33 1.10 -0.04 -0.84 0.00 0.19 -1.65 121.76 120.85 1jyc s ALA 193 Ca -0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 1jyc s ALA 193 Cb -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1jyc s ALA 193 CO -0.01 0.17 0.10 0.99 0.00 0.00 0.00 175.76 177.00 1jyc s THR 194 N -1.12 0.00 -0.12 0.00 2.01 -0.38 -0.88 115.64 115.15 1jyc s THR 194 Ca -0.01 -0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 1jyc s THR 194 Cb -0.09 -0.15 0.04 0.00 0.01 0.00 0.00 72.50 72.31 1jyc s THR 194 CO 0.02 -0.02 0.47 0.72 -0.69 0.00 0.00 174.62 175.12 1jyc s PHE 195 N -0.01 -0.46 -0.11 4.92 -0.71 -0.90 0.04 117.98 120.76 1jyc s PHE 195 Ca -0.01 1.01 -0.04 0.00 -1.04 0.00 0.00 56.93 56.85 1jyc s PHE 195 Cb -0.01 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1jyc s PHE 195 CO 0.00 -0.34 0.06 0.95 -1.34 0.00 0.00 175.22 174.55 1jyc s THR 196 N -0.35 4.79 0.19 -4.49 -4.23 -0.81 -1.64 115.64 109.11 1jyc s THR 196 Ca -0.05 -0.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 1jyc s THR 196 Cb -0.03 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 1jyc s THR 196 CO 0.03 0.60 -0.07 0.72 -0.54 0.00 0.00 174.62 175.36 1jyc s PHE 197 N -0.80 1.47 -0.29 3.99 -0.12 -0.81 -1.23 117.98 120.18 1jyc s PHE 197 Ca 0.13 -0.79 -0.03 0.00 -0.05 0.00 0.00 56.93 56.18 1jyc s PHE 197 Cb -0.12 -0.79 0.10 0.00 -0.63 0.00 0.00 43.02 41.58 1jyc s PHE 197 CO 0.03 0.08 0.12 -1.17 -0.05 0.00 0.00 175.22 174.23 1jyc s LEU 198 N -3.25 0.84 -0.42 -1.99 2.96 -0.27 -0.87 118.68 115.69 1jyc s LEU 198 Ca 0.23 -1.33 -0.15 0.00 -0.22 0.00 0.00 54.13 52.65 1jyc s LEU 198 Cb 0.03 -0.44 0.03 0.00 0.50 0.00 0.00 46.19 46.31 1jyc s LEU 198 CO 0.05 -0.43 0.32 -0.63 -1.32 0.00 0.00 176.35 174.33 1jyc s ILE 199 N 2.01 5.25 -0.03 6.68 1.01 -1.26 -2.94 121.20 131.93 1jyc s ILE 199 Ca 0.09 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.13 1jyc s ILE 199 Cb -0.16 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1jyc s ILE 199 CO -0.34 -0.34 -0.25 -0.75 0.00 0.00 0.00 174.94 173.26 1jyc s LYS 200 N 1.70 2.19 -0.25 2.79 2.20 -1.21 -2.28 119.74 124.87 1jyc s LYS 200 Ca 0.05 -0.91 -0.02 0.00 -0.36 0.00 0.00 55.97 54.74 1jyc s LYS 200 Cb -0.19 -2.08 0.08 0.00 -1.51 0.00 0.00 37.83 34.12 1jyc s LYS 200 CO 0.10 0.54 0.05 0.45 -0.36 0.00 0.00 175.35 176.13 1jyc s SER 201 N -0.57 3.50 0.08 1.43 0.15 -1.26 -0.45 113.70 116.58 1jyc s SER 201 Ca 0.09 -1.21 -0.23 0.00 0.70 0.00 0.00 55.95 55.29 1jyc s SER 201 Cb -0.10 -0.77 -0.16 0.00 -1.71 0.00 0.00 66.02 63.28 1jyc s SER 201 CO -0.00 -0.35 1.68 1.55 1.20 0.00 0.00 173.24 177.33 1jyc h PRO 202 N 8.15 -0.00 0.00 5.44 0.13 -1.96 -0.28 132.00 143.47 1jyc h PRO 202 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1jyc h PRO 202 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1jyc h PRO 202 CO 0.40 0.05 0.00 -0.44 -0.23 0.00 0.00 178.00 177.79 1jyc h ASP 203 N -0.06 0.00 -4.76 1.44 3.32 -1.95 -3.46 116.42 110.95 1jyc h ASP 203 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jyc h ASP 203 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1jyc h ASP 203 CO 0.00 0.00 -0.17 -0.24 -1.72 0.00 0.00 179.24 177.11 1jyc n SER 204 N -2.99 -6.44 0.00 6.45 2.88 -0.12 -5.02 113.62 108.38 1jyc n SER 204 Ca -0.02 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1jyc n SER 204 Cb 0.11 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 1jyc n SER 204 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1jyc n HIS 205 N -1.03 0.00 -1.63 0.66 -0.00 -1.26 -5.10 115.22 106.86 1jyc n HIS 205 Ca 0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.39 1jyc n HIS 205 Cb 0.43 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.48 1jyc n HIS 205 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1jyc n PRO 206 N 0.00 0.91 0.00 1.57 -0.02 -1.26 -4.24 135.00 131.96 1jyc n PRO 206 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1jyc n PRO 206 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1jyc n PRO 206 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jyc n ALA 207 N -1.87 0.00 0.00 3.55 0.00 -1.26 -4.70 120.51 116.22 1jyc n ALA 207 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1jyc n ALA 207 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1jyc n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jyc n ASP 208 N 0.00 3.09 0.00 0.00 9.92 -0.09 -2.73 116.55 126.74 1jyc n ASP 208 Ca 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1jyc n ASP 208 Cb 0.00 0.86 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 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 1.78 3.06 3.33 0.44 0.00 -1.24 -2.99 105.19 109.57 1jyc n GLY 209 Ca 0.00 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.95 1.76 -0.04 -0.61 1.01 -1.05 -2.68 121.20 117.65 1jyc s ILE 210 Ca 0.00 -1.97 -0.16 0.00 0.00 0.00 0.00 60.65 58.52 1jyc s ILE 210 Cb 0.00 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.64 1jyc s ILE 210 CO 0.00 -0.39 0.34 0.00 0.00 0.00 0.00 174.94 174.89 1jyc s ALA 211 N -2.27 -0.87 -0.18 9.38 0.00 0.62 0.51 121.76 128.93 1jyc s ALA 211 Ca 0.17 0.52 -0.07 0.00 0.00 0.00 0.00 51.96 52.58 1jyc s ALA 211 Cb -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1jyc s ALA 211 CO 0.06 -0.25 0.05 0.12 0.00 0.00 0.00 175.76 175.74 1jyc s PHE 212 N -1.05 3.21 0.13 0.00 5.36 -0.57 -1.44 117.98 123.61 1jyc s PHE 212 Ca -0.11 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 1jyc s PHE 212 Cb -0.04 -2.07 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 1jyc s PHE 212 CO 0.04 0.11 0.00 -0.59 -1.46 0.00 0.00 175.22 173.32 1jyc s PHE 213 N 0.42 0.92 -0.01 10.12 -0.71 -0.08 -1.21 117.98 127.44 1jyc s PHE 213 Ca 0.02 -1.08 0.04 0.00 -1.04 0.00 0.00 56.93 54.87 1jyc s PHE 213 Cb -0.13 -0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 41.13 1jyc s PHE 213 CO 0.01 -0.33 -0.13 0.42 -1.34 0.00 0.00 175.22 173.85 1jyc s ILE 214 N -3.83 1.03 0.36 -4.49 1.01 0.16 -1.06 121.20 114.38 1jyc s ILE 214 Ca 0.19 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 1jyc s ILE 214 Cb 0.07 -0.86 0.04 0.00 0.01 0.00 0.00 42.46 41.71 1jyc s ILE 214 CO -0.01 0.29 0.71 -0.94 0.00 0.00 0.00 174.94 175.00 1jyc s SER 215 N -0.26 0.13 0.52 3.58 1.04 -0.62 -2.01 113.70 116.08 1jyc s SER 215 Ca 0.04 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 55.13 1jyc s SER 215 Cb -0.05 0.79 -0.06 0.00 0.10 0.00 0.00 66.02 66.80 1jyc s SER 215 CO -0.00 -1.55 1.26 0.54 0.98 0.00 0.00 173.24 174.47 1jyc s ASN 216 N -3.08 5.60 0.38 7.02 4.22 -1.24 -0.60 114.94 127.24 1jyc s ASN 216 Ca 0.18 2.53 0.20 0.00 -2.14 0.00 0.00 52.86 53.63 1jyc s ASN 216 Cb -0.04 -2.62 1.20 0.00 1.28 0.00 0.00 41.25 41.08 1jyc s ASN 216 CO 0.12 -1.33 1.66 0.40 -2.04 0.00 0.00 177.10 175.92 1jyc h ILE 217 N 1.51 0.26 -0.38 0.54 2.04 -1.85 -2.00 117.51 117.63 1jyc h ILE 217 Ca -0.50 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1jyc h ILE 217 Cb 1.28 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1jyc h ILE 217 CO 0.58 0.04 0.06 0.47 0.00 0.00 0.00 178.15 179.31 1jyc n ASP 218 N -4.91 3.76 -4.77 1.72 8.00 -1.26 -4.90 116.55 114.20 1jyc n ASP 218 Ca 0.33 -2.62 -0.39 0.00 0.71 0.00 0.00 54.79 52.83 1jyc n ASP 218 Cb 1.12 -0.63 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 1jyc n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1jyc s SER 219 N -0.44 6.45 0.14 -2.24 0.15 -0.75 -5.05 113.70 111.95 1jyc s SER 219 Ca 0.33 2.43 -0.08 0.00 0.70 0.00 0.00 55.95 59.33 1jyc s SER 219 Cb 0.25 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 1jyc s SER 219 CO 0.09 -0.74 0.23 -0.94 1.20 0.00 0.00 173.24 173.08 1jyc s SER 220 N -1.03 0.10 0.20 5.45 1.04 -1.26 -5.10 113.70 113.11 1jyc s SER 220 Ca 0.57 -0.87 -0.32 0.00 0.48 0.00 0.00 55.95 55.81 1jyc s SER 220 Cb -0.33 0.39 -0.12 0.00 0.10 0.00 0.00 66.02 66.06 1jyc s SER 220 CO 0.41 -0.83 1.72 -0.38 0.98 0.00 0.00 173.24 175.14 1jyc n ILE 221 N -0.16 0.01 -1.90 -1.02 5.41 -1.26 -4.99 119.36 115.45 1jyc n ILE 221 Ca -0.09 -0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.34 1jyc n ILE 221 Cb 0.63 -1.96 0.02 0.00 -0.71 0.00 0.00 39.64 37.62 1jyc n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1jyc s PRO 222 N 1.18 3.32 0.45 0.38 0.02 -1.26 -4.99 135.00 134.10 1jyc s PRO 222 Ca 0.75 1.00 -0.25 0.00 0.02 0.00 0.00 61.00 62.52 1jyc s PRO 222 Cb -0.52 -2.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.88 1jyc s PRO 222 CO 0.33 -0.79 1.44 0.43 -0.33 0.00 0.00 177.00 178.07 1jyc n SER 223 N -2.47 3.35 -2.96 2.53 7.64 -1.26 -2.70 113.62 117.74 1jyc n SER 223 Ca 0.08 1.12 -0.15 0.00 1.01 0.00 0.00 58.87 60.93 1jyc n SER 223 Cb 0.53 -1.61 -0.01 0.00 -1.01 0.00 0.00 64.21 62.12 1jyc n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jyc n GLY 224 N 0.57 -0.49 1.54 0.23 0.00 -1.26 -4.80 105.19 100.98 1jyc n GLY 224 Ca 0.05 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.93 3.49 -3.79 1.61 3.41 -1.10 -4.89 113.62 110.43 1jyc n SER 225 Ca -0.03 -2.76 -0.24 0.00 -0.26 0.00 0.00 58.87 55.58 1jyc n SER 225 Cb 0.54 -0.66 0.16 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.14 0.00 -1.85 6.66 -2.24 -1.26 0.25 114.28 115.70 1jyc n THR 226 Ca 0.27 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1jyc n THR 226 Cb 1.02 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.32 3.09 0.34 3.38 0.00 -0.51 -3.07 105.19 106.10 1jyc n GLY 227 Ca 0.14 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 46.08 1jyc n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jyc h ARG 228 N 0.00 0.00 -0.00 1.61 0.11 -1.89 -2.22 114.38 111.98 1jyc h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jyc h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1jyc h ARG 228 CO 0.00 0.00 -0.05 1.28 0.10 0.00 0.00 179.97 181.30 1jyc n LEU 229 N -3.14 0.27 -1.74 0.08 4.77 -1.18 -4.93 117.00 111.13 1jyc n LEU 229 Ca -0.01 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1jyc n LEU 229 Cb 0.34 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1jyc n LEU 229 CO 0.18 0.05 -0.12 0.18 -1.33 0.00 0.00 177.39 176.35 1jyc n LEU 230 N -1.04 -0.91 -2.00 2.23 4.77 -0.84 -1.51 117.00 117.71 1jyc n LEU 230 Ca 0.16 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.22 1jyc n LEU 230 Cb 0.24 -1.89 -0.01 0.00 -2.33 0.00 0.00 43.42 39.44 1jyc n LEU 230 CO 0.22 -0.42 -0.21 0.61 -1.33 0.00 0.00 177.39 176.27 1jyc n GLY 231 N -0.42 -0.34 1.12 -0.72 0.00 0.14 -4.14 105.19 100.82 1jyc n GLY 231 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.53 0.05 -4.68 0.99 4.77 -0.57 -4.63 117.00 110.40 1jyc n LEU 232 Ca -0.20 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.46 1jyc n LEU 232 Cb 0.65 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 1jyc n LEU 232 CO 0.25 -0.06 -0.33 -0.36 -1.33 0.00 0.00 177.39 175.56 1jyc s PHE 233 N -2.00 3.04 0.11 -1.77 0.08 -1.21 -4.74 117.98 111.49 1jyc s PHE 233 Ca 0.00 0.05 0.18 0.00 0.12 0.00 0.00 56.93 57.28 1jyc s PHE 233 Cb 0.00 -1.63 0.57 0.00 -0.57 0.00 0.00 43.02 41.39 1jyc s PHE 233 CO 0.00 0.46 1.68 -1.00 -0.10 0.00 0.00 175.22 176.26 1jyc h PRO 234 N 4.12 0.00 0.00 0.24 0.13 -1.93 -3.43 132.00 131.13 1jyc h PRO 234 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.28 1jyc h PRO 234 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1jyc h PRO 234 CO 0.58 0.40 -0.27 -0.40 -0.23 0.00 0.00 178.00 178.08 1jyc n ASP 235 N -3.46 -1.17 -1.55 1.44 5.68 -1.26 -4.89 116.55 111.34 1jyc n ASP 235 Ca 0.00 -3.07 -0.06 0.00 -0.50 0.00 0.00 54.79 51.17 1jyc n ASP 235 Cb 0.55 2.30 0.24 0.00 -1.14 0.00 0.00 41.12 43.08 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 -0.63 4.35 1.68 2.12 0.00 -1.26 -4.71 120.51 122.06 1jyc n ALA 236 Ca -0.13 -2.69 0.13 0.00 0.00 0.00 0.00 53.44 50.75 1jyc n ALA 236 Cb 0.61 -1.01 0.80 0.00 0.00 0.00 0.00 19.45 19.85 1jyc n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59