#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjk s ILE 51 N 0.00 3.74 0.71 12.58 1.01 -1.26 -5.01 121.20 132.97 1yjk s ILE 51 Ca 0.00 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 61.78 1yjk s ILE 51 Cb 0.00 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1yjk s ILE 51 CO 0.00 0.08 1.07 -0.83 0.00 0.00 0.00 174.94 175.26 1yjk s GLY 52 N 1.16 1.67 0.34 6.18 0.00 -1.26 -4.96 107.32 110.46 1yjk s GLY 52 Ca 0.61 0.09 0.02 0.00 0.00 0.00 0.00 44.72 45.45 1yjk s GLY 52 CO 0.29 0.41 1.98 -0.56 0.00 0.00 0.00 173.10 175.21 1yjk h PRO 53 N -0.78 0.79 -5.42 2.90 0.13 -1.93 -3.41 132.00 124.27 1yjk h PRO 53 Ca -0.44 -0.07 -0.66 0.00 -0.87 0.00 0.00 66.00 63.96 1yjk h PRO 53 Cb 1.22 -0.16 -0.28 0.00 0.13 0.00 0.00 31.00 31.90 1yjk h PRO 53 CO 0.56 0.57 -0.79 0.54 -0.23 0.00 0.00 178.00 178.65 1yjk s VAL 54 N -5.57 2.85 -0.28 1.56 0.11 -1.26 -1.29 120.40 116.53 1yjk s VAL 54 Ca -0.10 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1yjk s VAL 54 Cb 0.17 -2.17 0.08 0.00 -1.53 0.00 0.00 36.38 32.93 1yjk s VAL 54 CO 0.77 0.54 -0.01 -0.89 -3.33 0.00 0.00 175.10 172.18 1yjk s THR 55 N 0.24 1.68 0.32 5.04 2.01 0.49 -4.96 115.64 120.46 1yjk s THR 55 Ca -0.10 -1.58 -0.29 0.00 0.31 0.00 0.00 61.69 60.02 1yjk s THR 55 Cb -0.16 -2.05 -0.12 0.00 0.01 0.00 0.00 72.50 70.17 1yjk s THR 55 CO 0.06 -0.31 1.39 -2.65 -0.69 0.00 0.00 174.62 172.42 1yjk n PRO 56 N 4.57 2.27 -0.04 4.92 -0.02 -1.26 -0.63 135.00 144.80 1yjk n PRO 56 Ca -0.07 0.80 -0.03 0.00 -2.02 0.00 0.00 63.50 62.18 1yjk n PRO 56 Cb 0.43 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 1yjk n PRO 56 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1yjk n LEU 57 N 1.25 0.00 0.00 2.45 4.77 -0.56 -4.88 117.00 120.04 1yjk n LEU 57 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1yjk n LEU 57 Cb 0.35 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1yjk n LEU 57 CO 0.63 0.20 0.00 -0.90 -1.33 0.00 0.00 177.39 175.99 1yjk n ASP 58 N -2.28 0.00 0.26 -1.43 5.68 -1.24 -4.98 116.55 112.56 1yjk n ASP 58 Ca -0.14 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.29 1yjk n ASP 58 Cb 0.74 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.42 1yjk n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yjk h ALA 59 N 0.00 1.19 0.00 2.12 0.00 -2.04 -3.29 119.26 117.23 1yjk h ALA 59 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1yjk h ALA 59 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yjk h ALA 59 CO 0.00 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 1yjk n SER 60 N -3.51 0.02 -4.24 0.00 3.41 -1.26 -5.05 113.62 102.98 1yjk n SER 60 Ca -0.01 -0.45 -0.17 0.00 -0.26 0.00 0.00 58.87 57.98 1yjk n SER 60 Cb 0.27 0.86 -0.11 0.00 -0.26 0.00 0.00 64.21 64.97 1yjk n SER 60 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1yjk s ASP 61 N -0.86 1.93 0.10 4.04 1.11 -1.24 -0.64 116.67 121.11 1yjk s ASP 61 Ca 0.00 -0.84 -0.16 0.00 0.18 0.00 0.00 52.55 51.74 1yjk s ASP 61 Cb 0.00 -0.06 0.03 0.00 1.07 0.00 0.00 42.92 43.96 1yjk s ASP 61 CO 0.00 -0.18 0.38 0.72 1.18 0.00 0.00 175.17 177.27 1yjk s PHE 62 N -2.32 -0.18 -0.04 4.23 -0.12 0.43 -1.49 117.98 118.50 1yjk s PHE 62 Ca 0.10 -0.08 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1yjk s PHE 62 Cb -0.04 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 1yjk s PHE 62 CO 0.03 -0.65 -0.03 0.00 -0.05 0.00 0.00 175.22 174.52 1yjk s ALA 63 N -3.45 3.15 -0.13 1.99 0.00 0.19 -1.05 121.76 122.47 1yjk s ALA 63 Ca 0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1yjk s ALA 63 Cb 0.01 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1yjk s ALA 63 CO -0.09 0.61 -0.09 -0.51 0.00 0.00 0.00 175.76 175.67 1yjk s LEU 64 N -1.19 2.94 -0.39 0.00 1.02 -0.47 -0.38 118.68 120.21 1yjk s LEU 64 Ca 0.16 -0.22 -0.13 0.00 0.02 0.00 0.00 54.13 53.96 1yjk s LEU 64 Cb -0.11 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.45 1yjk s LEU 64 CO 0.06 0.19 0.25 -0.62 0.02 0.00 0.00 176.35 176.25 1yjk s ASP 65 N 0.19 5.91 -0.42 2.29 2.15 -0.41 -1.03 116.67 125.35 1yjk s ASP 65 Ca -0.05 -0.94 -0.10 0.00 0.43 0.00 0.00 52.55 51.88 1yjk s ASP 65 Cb -0.15 -2.09 0.08 0.00 -0.30 0.00 0.00 42.92 40.46 1yjk s ASP 65 CO 0.04 -0.41 0.28 -0.63 -0.17 0.00 0.00 175.17 174.27 1yjk s ILE 66 N 1.61 4.38 -0.01 4.11 1.01 0.46 -4.79 121.20 127.97 1yjk s ILE 66 Ca 0.03 -1.33 0.03 0.00 0.00 0.00 0.00 60.65 59.39 1yjk s ILE 66 Cb -0.19 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1yjk s ILE 66 CO 0.08 -0.50 -0.11 -0.13 0.00 0.00 0.00 174.94 174.28 1yjk s ARG 67 N 1.46 0.89 0.21 2.79 1.81 -1.26 -1.16 118.95 123.69 1yjk s ARG 67 Ca 0.03 -0.42 -0.32 0.00 -1.72 0.00 0.00 55.73 53.30 1yjk s ARG 67 Cb -0.23 -0.86 -0.14 0.00 -0.45 0.00 0.00 34.95 33.27 1yjk s ARG 67 CO 0.03 0.23 1.33 -1.33 -0.68 0.00 0.00 175.30 174.89 1yjk n MET 68 N 2.75 1.71 -1.16 3.54 2.81 0.10 -4.84 117.12 122.03 1yjk n MET 68 Ca -0.14 0.61 -0.32 0.00 -1.81 0.00 0.00 57.70 56.04 1yjk n MET 68 Cb 0.56 -2.22 -0.04 0.00 -0.71 0.00 0.00 33.22 30.81 1yjk n MET 68 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1yjk n PRO 69 N 2.04 3.19 -2.84 0.03 -0.04 -1.26 -4.18 135.00 131.93 1yjk n PRO 69 Ca 0.13 -1.91 -0.11 0.00 -0.04 0.00 0.00 63.50 61.57 1yjk n PRO 69 Cb 0.28 -2.63 0.05 0.00 -0.04 0.00 0.00 33.50 31.17 1yjk n PRO 69 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yjk n GLY 70 N 3.48 -0.68 3.94 0.55 0.00 -1.01 -4.99 105.19 106.46 1yjk n GLY 70 Ca 0.68 0.39 -0.24 0.00 0.00 0.00 0.00 46.02 46.84 1yjk n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yjk s VAL 71 N -3.30 4.88 -0.45 1.61 -7.23 -0.28 -4.41 120.40 111.22 1yjk s VAL 71 Ca 0.35 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1yjk s VAL 71 Cb -0.05 -3.80 0.14 0.00 0.56 0.00 0.00 36.38 33.23 1yjk s VAL 71 CO 0.57 -0.57 0.25 -0.89 -0.31 0.00 0.00 175.10 174.14 1yjk s THR 72 N -2.44 1.42 0.30 5.32 2.01 -1.26 -0.91 115.64 120.09 1yjk s THR 72 Ca 0.43 -2.62 -0.29 0.00 0.31 0.00 0.00 61.69 59.52 1yjk s THR 72 Cb -0.10 -1.99 -0.11 0.00 0.01 0.00 0.00 72.50 70.31 1yjk s THR 72 CO 0.38 -0.91 1.46 -2.16 -0.69 0.00 0.00 174.62 172.70 1yjk s PRO 73 N 0.28 4.21 0.00 4.92 0.04 -1.26 -4.90 135.00 138.29 1yjk s PRO 73 Ca 0.18 2.41 0.09 0.00 0.04 0.00 0.00 61.00 63.72 1yjk s PRO 73 Cb -0.23 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1yjk s PRO 73 CO -0.01 -0.45 0.55 1.63 0.04 0.00 0.00 177.00 178.76 1yjk n LYS 74 N 1.58 2.47 -4.10 4.56 5.02 -1.26 -4.90 118.16 121.53 1yjk n LYS 74 Ca 0.04 -0.48 -0.09 0.00 -2.02 0.00 0.00 58.31 55.76 1yjk n LYS 74 Cb 0.40 -1.02 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 1yjk n LYS 74 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1yjk s GLU 75 N -1.32 0.64 0.88 1.97 0.41 -1.26 -5.11 118.70 114.91 1yjk s GLU 75 Ca 0.07 -1.12 -0.12 0.00 -0.41 0.00 0.00 54.97 53.39 1yjk s GLU 75 Cb 0.07 -0.02 0.10 0.00 -1.78 0.00 0.00 34.13 32.50 1yjk s GLU 75 CO 0.24 -0.05 1.02 0.43 -0.49 0.00 0.00 175.26 176.41 1yjk n SER 76 N 0.44 0.13 -2.92 -0.19 7.64 -1.26 -4.20 113.62 113.26 1yjk n SER 76 Ca -0.16 0.47 -0.13 0.00 1.01 0.00 0.00 58.87 60.06 1yjk n SER 76 Cb 0.59 -1.43 0.07 0.00 -1.01 0.00 0.00 64.21 62.43 1yjk n SER 76 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1yjk n ASP 77 N -3.26 -2.56 -4.45 6.43 8.00 -0.66 -4.96 116.55 115.09 1yjk n ASP 77 Ca 0.12 -0.50 -0.33 0.00 0.71 0.00 0.00 54.79 54.78 1yjk n ASP 77 Cb 0.52 -4.18 -0.13 0.00 -0.02 0.00 0.00 41.12 37.31 1yjk n ASP 77 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1yjk s THR 78 N -3.29 3.22 -0.22 -3.53 2.01 -0.43 -4.97 115.64 108.44 1yjk s THR 78 Ca 0.05 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1yjk s THR 78 Cb -0.01 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1yjk s THR 78 CO 0.58 0.56 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.75 1yjk s TYR 79 N -0.19 3.00 0.13 4.92 1.51 -1.26 -0.56 117.35 124.90 1yjk s TYR 79 Ca 0.01 -0.69 0.09 0.00 -1.01 0.00 0.00 57.07 55.47 1yjk s TYR 79 Cb -0.13 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 1yjk s TYR 79 CO 0.03 -0.41 -0.18 -0.06 -1.11 0.00 0.00 175.55 173.81 1yjk s PHE 80 N 1.35 2.52 0.03 2.71 0.08 -0.59 -1.99 117.98 122.09 1yjk s PHE 80 Ca 0.04 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 56.84 1yjk s PHE 80 Cb -0.15 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.97 1yjk s PHE 80 CO -0.00 0.40 -0.07 0.00 -0.10 0.00 0.00 175.22 175.45 1yjk s MET 82 N -1.15 1.16 0.25 0.00 0.23 -0.50 -0.23 119.30 119.05 1yjk s MET 82 Ca -0.06 -1.44 0.10 0.00 -1.03 0.00 0.00 55.69 53.26 1yjk s MET 82 Cb -0.08 0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 33.48 1yjk s MET 82 CO 0.00 -0.39 -0.17 -1.54 -2.03 0.00 0.00 175.02 170.90 1yjk s SER 83 N -3.07 3.16 -0.13 -1.18 1.04 -1.26 -0.98 113.70 111.27 1yjk s SER 83 Ca 0.29 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 1yjk s SER 83 Cb 0.05 -0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.01 1yjk s SER 83 CO 0.06 -0.07 0.20 -0.32 0.98 0.00 0.00 173.24 174.09 1yjk s MET 84 N -3.58 0.11 0.49 4.02 1.75 0.36 -4.99 119.30 117.47 1yjk s MET 84 Ca 0.27 0.48 -0.19 0.00 -1.25 0.00 0.00 55.69 55.00 1yjk s MET 84 Cb -0.03 -0.55 -0.08 0.00 2.84 0.00 0.00 34.83 37.02 1yjk s MET 84 CO 0.12 -0.42 1.02 0.50 -0.65 0.00 0.00 175.02 175.59 1yjk s ARG 85 N 2.33 3.82 0.30 4.11 3.52 -1.26 -1.26 118.95 130.51 1yjk s ARG 85 Ca 0.04 1.25 -0.29 0.00 -0.13 0.00 0.00 55.73 56.60 1yjk s ARG 85 Cb -0.13 -2.10 -0.10 0.00 -1.56 0.00 0.00 34.95 31.05 1yjk s ARG 85 CO -0.08 -0.40 1.44 -0.51 -0.81 0.00 0.00 175.30 174.93 1yjk s LEU 86 N -3.64 4.38 0.00 -0.88 1.43 0.29 -4.88 118.68 115.38 1yjk s LEU 86 Ca 0.65 2.79 0.30 0.00 -1.03 0.00 0.00 54.13 56.84 1yjk s LEU 86 Cb -0.14 -3.64 1.37 0.00 0.03 0.00 0.00 46.19 43.80 1yjk s LEU 86 CO 0.22 -0.72 1.98 -0.81 0.23 0.00 0.00 176.35 177.25 1yjk n PRO 87 N 1.53 0.24 -4.37 1.29 -0.04 -1.26 -4.79 135.00 127.60 1yjk n PRO 87 Ca 0.04 -0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 1yjk n PRO 87 Cb 0.40 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1yjk n PRO 87 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1yjk s VAL 88 N -2.77 3.19 -0.09 0.52 -7.23 -1.26 -5.04 120.40 107.73 1yjk s VAL 88 Ca 0.22 -1.22 0.11 0.00 -1.81 0.00 0.00 61.98 59.28 1yjk s VAL 88 Cb 0.20 -2.44 -0.24 0.00 0.56 0.00 0.00 36.38 34.46 1yjk s VAL 88 CO 0.50 0.20 0.50 0.47 -0.31 0.00 0.00 175.10 176.46 1yjk n ASP 89 N 1.03 0.90 -4.65 4.85 8.00 -1.26 -4.83 116.55 120.58 1yjk n ASP 89 Ca -0.15 0.30 -0.30 0.00 0.71 0.00 0.00 54.79 55.35 1yjk n ASP 89 Cb 0.52 0.02 0.17 0.00 -0.02 0.00 0.00 41.12 41.81 1yjk n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1yjk s GLU 90 N -2.57 0.81 0.36 -1.24 8.01 -1.26 -1.04 118.70 121.76 1yjk s GLU 90 Ca -0.09 1.21 -0.27 0.00 0.01 0.00 0.00 54.97 55.84 1yjk s GLU 90 Cb 0.07 -1.73 -0.12 0.00 -4.31 0.00 0.00 34.13 28.05 1yjk s GLU 90 CO 0.81 -2.67 1.24 -1.91 0.01 0.00 0.00 175.26 172.74 1yjk n GLU 91 N -4.23 1.95 -4.11 1.61 2.13 -1.26 -3.36 120.64 113.38 1yjk n GLU 91 Ca 0.09 0.69 -0.10 0.00 0.66 0.00 0.00 57.16 58.49 1yjk n GLU 91 Cb 0.53 -2.27 -0.09 0.00 0.27 0.00 0.00 31.44 29.88 1yjk n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yjk s ALA 92 N -1.13 0.62 -0.09 4.31 0.00 -0.15 -4.81 121.76 120.51 1yjk s ALA 92 Ca 0.58 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1yjk s ALA 92 Cb -0.56 1.11 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1yjk s ALA 92 CO 0.61 -0.62 -0.12 -0.06 0.00 0.00 0.00 175.76 175.56 1yjk s PHE 93 N -4.07 1.67 -0.23 0.00 0.40 0.15 -1.05 117.98 114.85 1yjk s PHE 93 Ca 0.28 -0.74 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 1yjk s PHE 93 Cb 0.05 -1.25 -0.00 0.00 0.51 0.00 0.00 43.02 42.33 1yjk s PHE 93 CO 0.07 -0.42 0.86 0.08 0.70 0.00 0.00 175.22 176.51 1yjk s VAL 94 N 1.06 4.82 0.00 -0.44 1.01 0.52 -0.82 120.40 126.56 1yjk s VAL 94 Ca -0.06 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1yjk s VAL 94 Cb -0.15 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1yjk s VAL 94 CO -0.02 -0.08 0.00 2.30 0.00 0.00 0.00 175.10 177.31 1yjk n ILE 95 N 5.19 0.00 -3.62 2.22 -5.35 -0.16 -1.00 119.36 116.63 1yjk n ILE 95 Ca 0.06 -0.40 -0.10 0.00 -0.27 0.00 0.00 62.75 62.05 1yjk n ILE 95 Cb 0.47 0.92 -0.02 0.00 -1.74 0.00 0.00 39.64 39.27 1yjk n ILE 95 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1yjk s ASP 96 N -1.07 -0.42 -0.04 7.28 2.15 -1.21 -4.80 116.67 118.56 1yjk s ASP 96 Ca 0.00 -0.29 -0.05 0.00 0.43 0.00 0.00 52.55 52.65 1yjk s ASP 96 Cb 0.00 0.65 0.01 0.00 -0.30 0.00 0.00 42.92 43.28 1yjk s ASP 96 CO 0.00 -1.13 0.12 -0.36 -0.17 0.00 0.00 175.17 173.64 1yjk s PHE 97 N -3.83 -0.09 -0.16 -5.34 0.08 -1.26 -0.86 117.98 106.52 1yjk s PHE 97 Ca 0.06 0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.32 1yjk s PHE 97 Cb -0.03 0.02 0.04 0.00 -0.57 0.00 0.00 43.02 42.48 1yjk s PHE 97 CO -0.04 -0.12 -0.02 0.21 -0.10 0.00 0.00 175.22 175.15 1yjk s LYS 98 N -0.27 1.10 0.36 0.44 2.47 0.19 -4.98 119.74 119.05 1yjk s LYS 98 Ca -0.03 -0.40 -0.26 0.00 -1.56 0.00 0.00 55.97 53.72 1yjk s LYS 98 Cb -0.03 -1.87 -0.09 0.00 -1.46 0.00 0.00 37.83 34.38 1yjk s LYS 98 CO 0.00 -0.47 1.08 -1.25 0.16 0.00 0.00 175.35 174.87 1yjk s PRO 99 N 1.74 4.31 -0.53 4.03 0.04 -1.26 -0.68 135.00 142.65 1yjk s PRO 99 Ca 0.01 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.75 1yjk s PRO 99 Cb -0.15 -2.77 0.24 0.00 0.04 0.00 0.00 34.50 31.86 1yjk s PRO 99 CO -0.07 -0.04 0.63 0.54 0.04 0.00 0.00 177.00 178.10 1yjk n ARG 100 N 0.37 1.68 -3.86 4.56 5.12 0.19 -4.90 116.66 119.82 1yjk n ARG 100 Ca 0.03 -4.02 -0.35 0.00 -1.93 0.00 0.00 57.85 51.57 1yjk n ARG 100 Cb 0.48 -1.81 -0.08 0.00 -1.16 0.00 0.00 32.46 29.88 1yjk n ARG 100 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yjk s ALA 101 N -1.82 3.64 -0.35 7.54 0.00 -1.26 -1.86 121.76 127.66 1yjk s ALA 101 Ca 0.37 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1yjk s ALA 101 Cb 0.15 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 21.16 1yjk s ALA 101 CO -0.07 0.27 2.30 0.43 0.00 0.00 0.00 175.76 178.69 1yjk n SER 102 N 3.17 2.71 0.00 0.00 7.64 -1.26 -4.85 113.62 121.03 1yjk n SER 102 Ca -0.17 0.01 0.07 0.00 1.01 0.00 0.00 58.87 59.79 1yjk n SER 102 Cb 0.53 -1.51 0.39 0.00 -1.01 0.00 0.00 64.21 62.61 1yjk n SER 102 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1yjk n MET 103 N 8.76 0.33 0.00 1.43 2.81 -1.26 -1.70 117.12 127.49 1yjk n MET 103 Ca 0.35 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1yjk n MET 103 Cb 0.43 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1yjk n MET 103 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1yjk n ASP 104 N -1.14 0.00 0.21 7.83 5.75 -1.26 -4.78 116.55 123.16 1yjk n ASP 104 Ca 0.09 0.05 0.05 0.00 -0.01 0.00 0.00 54.79 54.96 1yjk n ASP 104 Cb 0.08 -0.07 0.45 0.00 -1.03 0.00 0.00 41.12 40.55 1yjk n ASP 104 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1yjk h THR 105 N 0.00 1.15 -3.44 2.12 1.35 -1.83 -3.43 112.91 108.83 1yjk h THR 105 Ca 0.00 -0.91 -0.60 0.00 -0.55 0.00 0.00 66.41 64.35 1yjk h THR 105 Cb 0.00 1.50 -0.10 0.00 -1.73 0.00 0.00 68.15 67.82 1yjk h THR 105 CO 0.00 0.26 0.10 -0.69 -0.25 0.00 0.00 175.52 174.93 1yjk s VAL 106 N -4.40 5.03 -0.23 6.82 1.01 -0.69 -0.81 120.40 127.14 1yjk s VAL 106 Ca -0.03 1.13 -0.08 0.00 0.00 0.00 0.00 61.98 63.01 1yjk s VAL 106 Cb 0.15 -3.92 -0.18 0.00 0.00 0.00 0.00 36.38 32.43 1yjk s VAL 106 CO 0.70 0.11 -0.07 1.57 0.00 0.00 0.00 175.10 177.41 1yjk n HIS 107 N 5.10 0.42 -3.54 5.22 -0.00 -0.29 -4.72 115.22 117.41 1yjk n HIS 107 Ca -0.02 0.12 -0.11 0.00 0.46 0.00 0.00 57.72 58.17 1yjk n HIS 107 Cb 0.50 -1.05 -0.03 0.00 -0.12 0.00 0.00 29.99 29.29 1yjk n HIS 107 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1yjk s HIS 108 N -2.50 -0.38 -0.00 1.57 -3.43 -1.13 -2.04 115.29 107.38 1yjk s HIS 108 Ca -0.32 0.11 -0.01 0.00 -0.80 0.00 0.00 55.06 54.04 1yjk s HIS 108 Cb 0.10 0.48 -0.00 0.00 -1.43 0.00 0.00 32.58 31.72 1yjk s HIS 108 CO 0.61 -0.85 0.01 -1.64 -2.00 0.00 0.00 174.74 170.86 1yjk s MET 109 N -3.79 0.08 0.01 -0.38 -1.94 -0.46 -0.11 119.30 112.72 1yjk s MET 109 Ca 0.03 -0.10 0.06 0.00 -1.71 0.00 0.00 55.69 53.97 1yjk s MET 109 Cb -0.01 0.03 -0.02 0.00 2.01 0.00 0.00 34.83 36.84 1yjk s MET 109 CO -0.10 -0.01 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.20 1yjk s LEU 110 N -0.29 2.09 -0.07 -0.03 1.43 -0.18 -0.79 118.68 120.85 1yjk s LEU 110 Ca -0.03 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1yjk s LEU 110 Cb -0.02 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1yjk s LEU 110 CO -0.00 0.19 -0.19 -0.22 0.23 0.00 0.00 176.35 176.35 1yjk s LEU 111 N -0.75 1.92 0.26 1.79 2.96 0.40 -1.33 118.68 123.92 1yjk s LEU 111 Ca 0.07 -0.43 0.11 0.00 -0.22 0.00 0.00 54.13 53.66 1yjk s LEU 111 Cb -0.08 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 1yjk s LEU 111 CO 0.00 0.13 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.63 1yjk s PHE 112 N 0.29 2.35 -0.08 5.38 0.40 -0.06 -0.20 117.98 126.07 1yjk s PHE 112 Ca -0.12 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1yjk s PHE 112 Cb -0.15 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.30 1yjk s PHE 112 CO 0.05 0.65 -0.15 0.20 0.70 0.00 0.00 175.22 176.67 1yjk s GLY 113 N -3.32 1.50 0.36 4.36 0.00 0.55 -0.76 107.32 110.01 1yjk s GLY 113 Ca 0.28 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 1yjk s GLY 113 CO 0.14 -0.53 0.69 0.00 0.00 0.00 0.00 173.10 173.41 1yjk n ASN 115 N -1.31 1.15 -3.73 0.00 3.02 -1.26 -1.22 115.26 111.91 1yjk n ASN 115 Ca -0.05 -0.13 -0.29 0.00 -0.03 0.00 0.00 54.58 54.08 1yjk n ASN 115 Cb 0.60 1.64 -0.12 0.00 -0.61 0.00 0.00 39.78 41.29 1yjk n ASN 115 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1yjk s MET 116 N -3.05 1.54 0.64 3.52 -1.94 -1.26 -4.84 119.30 113.91 1yjk s MET 116 Ca -0.04 -2.36 -0.18 0.00 -1.71 0.00 0.00 55.69 51.40 1yjk s MET 116 Cb 0.11 -2.52 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 1yjk s MET 116 CO 0.68 -1.22 1.14 -2.30 -0.01 0.00 0.00 175.02 173.32 1yjk n PRO 117 N 3.07 0.98 0.21 2.03 -0.02 -1.26 -0.40 135.00 139.60 1yjk n PRO 117 Ca 0.14 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.15 1yjk n PRO 117 Cb 0.36 -2.37 0.70 0.00 -0.02 0.00 0.00 33.50 32.18 1yjk n PRO 117 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1yjk h SER 118 N 0.44 0.00 -5.12 2.55 0.02 -1.15 -3.41 113.55 106.88 1yjk h SER 118 Ca -0.50 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.34 1yjk h SER 118 Cb 1.35 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.73 1yjk h SER 118 CO 0.52 0.00 -0.48 -0.55 -1.14 0.00 0.00 176.83 175.17 1yjk s SER 119 N -4.74 0.18 0.00 3.07 0.15 -1.26 -4.96 113.70 106.14 1yjk s SER 119 Ca 0.00 -0.59 0.18 0.00 0.70 0.00 0.00 55.95 56.25 1yjk s SER 119 Cb 0.09 0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.80 1yjk s SER 119 CO 0.39 -0.58 1.07 0.35 1.20 0.00 0.00 173.24 175.67 1yjk n THR 120 N 0.48 0.00 -1.63 6.45 -2.24 -1.26 -4.92 114.28 111.15 1yjk n THR 120 Ca -0.17 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.81 1yjk n THR 120 Cb 0.60 1.37 0.05 0.00 -2.10 0.00 0.00 70.33 70.25 1yjk n THR 120 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1yjk s GLY 121 N -1.56 1.66 0.37 3.38 0.00 -1.26 -4.94 107.32 104.96 1yjk s GLY 121 Ca 0.21 -0.01 0.20 0.00 0.00 0.00 0.00 44.72 45.12 1yjk s GLY 121 CO 0.24 0.31 1.64 0.23 0.00 0.00 0.00 173.10 175.53 1yjk h SER 122 N -0.70 0.41 -5.00 1.64 0.87 -1.96 -3.44 113.55 105.37 1yjk h SER 122 Ca -0.44 0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1yjk h SER 122 Cb 1.22 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 63.24 1yjk h SER 122 CO 0.58 -0.20 0.21 -0.72 -0.53 0.00 0.00 176.83 176.17 1yjk s TYR 123 N -5.54 -0.38 0.35 2.24 1.13 -1.26 -4.69 117.35 109.21 1yjk s TYR 123 Ca -0.09 0.07 -0.02 0.00 -1.41 0.00 0.00 57.07 55.61 1yjk s TYR 123 Cb 0.31 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.79 1yjk s TYR 123 CO 0.80 -1.01 0.49 1.67 -2.51 0.00 0.00 175.55 174.98 1yjk s TRP 124 N -3.82 1.10 -0.02 -3.49 -2.14 0.68 -4.96 118.94 106.28 1yjk s TRP 124 Ca 0.05 -1.32 -0.20 0.00 2.66 0.00 0.00 56.10 57.29 1yjk s TRP 124 Cb -0.03 -0.08 -0.05 0.00 -3.10 0.00 0.00 33.47 30.21 1yjk s TRP 124 CO -0.04 -1.17 0.58 -0.06 -2.66 0.00 0.00 176.95 173.60 1yjk s PHE 125 N -2.95 3.65 -1.59 1.66 0.08 -1.26 0.07 117.98 117.64 1yjk s PHE 125 Ca 0.31 1.16 0.29 0.00 0.12 0.00 0.00 56.93 58.80 1yjk s PHE 125 Cb -0.01 -2.60 1.56 0.00 -0.57 0.00 0.00 43.02 41.39 1yjk s PHE 125 CO 0.21 0.32 2.04 0.00 -0.10 0.00 0.00 175.22 177.69 1yjk h ASP 127 N 0.00 0.50 0.30 0.00 3.45 -1.93 -1.43 116.42 117.32 1yjk h ASP 127 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1yjk h ASP 127 Cb 0.19 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1yjk h ASP 127 CO 0.00 0.30 0.00 -0.33 -1.57 0.00 0.00 179.24 177.64 1yjk h GLU 128 N 0.56 0.00 0.00 3.56 5.08 -1.66 -3.48 114.58 118.64 1yjk h GLU 128 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1yjk h GLU 128 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1yjk h GLU 128 CO -0.11 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.31 1yjk n GLY 129 N -0.77 2.71 0.10 -3.84 0.00 -0.54 -4.98 105.19 97.87 1yjk n GLY 129 Ca -0.00 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 1yjk n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yjk n THR 130 N -0.10 1.50 -4.24 2.61 -2.24 -1.26 -4.65 114.28 105.90 1yjk n THR 130 Ca 0.00 0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 1yjk n THR 130 Cb 0.00 -2.22 -0.13 0.00 -2.10 0.00 0.00 70.33 65.88 1yjk n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yjk h THR 132 N 4.48 0.88 -4.26 0.00 1.35 -0.95 -3.44 112.91 110.97 1yjk h THR 132 Ca -0.38 -2.26 -0.21 0.00 -0.55 0.00 0.00 66.41 63.02 1yjk h THR 132 Cb 1.19 2.43 0.04 0.00 -1.73 0.00 0.00 68.15 70.07 1yjk h THR 132 CO 0.43 0.50 0.05 -0.90 -0.25 0.00 0.00 175.52 175.36 1yjk n ASP 133 N -3.22 0.60 -4.73 5.36 5.75 -1.25 -5.02 116.55 114.04 1yjk n ASP 133 Ca 0.02 -1.51 -0.42 0.00 -0.01 0.00 0.00 54.79 52.87 1yjk n ASP 133 Cb 0.75 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.52 1yjk n ASP 133 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1yjk s LYS 134 N -3.62 4.28 -0.35 0.11 2.20 -1.26 -4.93 119.74 116.17 1yjk s LYS 134 Ca 0.30 2.24 -0.12 0.00 -0.36 0.00 0.00 55.97 58.03 1yjk s LYS 134 Cb -0.02 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1yjk s LYS 134 CO 0.20 -0.45 0.22 0.00 -0.36 0.00 0.00 175.35 174.96 1yjk s ALA 135 N 0.52 3.39 -0.40 3.13 0.00 -1.26 -4.58 121.76 122.57 1yjk s ALA 135 Ca 0.63 -1.51 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 1yjk s ALA 135 Cb -0.41 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.11 1yjk s ALA 135 CO 0.37 -1.13 0.50 -0.80 0.00 0.00 0.00 175.76 174.71 1yjk s ASN 136 N 1.65 6.26 0.26 0.00 0.01 0.28 -4.89 114.94 118.52 1yjk s ASN 136 Ca 0.05 -0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 51.54 1yjk s ASN 136 Cb -0.18 -2.26 -0.09 0.00 0.41 0.00 0.00 41.25 39.13 1yjk s ASN 136 CO 0.08 -0.58 1.28 -0.51 -1.51 0.00 0.00 177.10 175.87 1yjk s ILE 137 N 2.37 3.04 0.00 0.60 2.07 -1.26 -0.33 121.20 127.68 1yjk s ILE 137 Ca 0.17 0.95 0.00 0.00 -1.41 0.00 0.00 60.65 60.35 1yjk s ILE 137 Cb -0.16 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 38.83 1yjk s ILE 137 CO 0.15 0.19 0.00 0.18 -1.91 0.00 0.00 174.94 173.54 1yjk n LEU 138 N 1.74 0.00 -3.63 8.50 4.77 0.72 -4.88 117.00 124.22 1yjk n LEU 138 Ca 0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1yjk n LEU 138 Cb 0.43 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1yjk n LEU 138 CO 0.58 0.00 0.46 -0.47 -1.33 0.00 0.00 177.39 176.63 1yjk s TYR 139 N -1.93 -0.79 0.02 -1.77 5.04 -1.04 -4.98 117.35 111.90 1yjk s TYR 139 Ca 0.00 1.83 0.06 0.00 -2.44 0.00 0.00 57.07 56.52 1yjk s TYR 139 Cb 0.00 0.36 -0.02 0.00 0.35 0.00 0.00 41.96 42.65 1yjk s TYR 139 CO 0.00 -0.39 -0.17 0.00 -1.34 0.00 0.00 175.55 173.65 1yjk s ALA 140 N 0.65 1.45 -0.02 3.97 0.00 -1.26 -0.46 121.76 126.10 1yjk s ALA 140 Ca -0.02 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1yjk s ALA 140 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1yjk s ALA 140 CO -0.05 0.32 -0.12 -0.46 0.00 0.00 0.00 175.76 175.45 1yjk s TRP 141 N -0.68 1.11 -0.01 0.00 -0.00 0.03 -4.59 118.94 114.81 1yjk s TRP 141 Ca 0.05 -0.24 0.02 0.00 -0.00 0.00 0.00 56.10 55.93 1yjk s TRP 141 Cb -0.08 -0.74 -0.00 0.00 -0.00 0.00 0.00 33.47 32.65 1yjk s TRP 141 CO 0.01 -0.05 -0.06 0.00 -0.00 0.00 0.00 176.95 176.84 1yjk s ALA 142 N -0.13 0.52 0.30 5.86 0.00 -1.25 -1.35 121.76 125.71 1yjk s ALA 142 Ca 0.02 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1yjk s ALA 142 Cb -0.06 -0.14 0.69 0.00 0.00 0.00 0.00 23.12 23.61 1yjk s ALA 142 CO 0.00 0.12 1.81 -0.09 0.00 0.00 0.00 175.76 177.60 1yjk h ARG 143 N 6.03 0.81 -0.35 0.00 2.43 -1.70 -2.65 114.38 118.96 1yjk h ARG 143 Ca -0.29 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.59 1yjk h ARG 143 Cb 1.19 -0.18 -0.17 0.00 -0.42 0.00 0.00 29.97 30.38 1yjk h ARG 143 CO 0.50 0.54 -0.49 0.09 -1.51 0.00 0.00 179.97 179.10 1yjk n ASN 144 N -4.69 3.14 -2.85 -3.80 3.02 -1.26 -4.72 115.26 104.10 1yjk n ASN 144 Ca 0.21 -3.83 -0.05 0.00 -0.03 0.00 0.00 54.58 50.87 1yjk n ASN 144 Cb 0.49 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1yjk n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yjk s ALA 145 N -3.39 -1.85 0.38 5.41 0.00 -1.00 -5.01 121.76 116.31 1yjk s ALA 145 Ca 0.45 -0.53 -0.26 0.00 0.00 0.00 0.00 51.96 51.62 1yjk s ALA 145 Cb 0.40 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.80 1yjk s ALA 145 CO -0.02 -2.22 1.21 -2.14 0.00 0.00 0.00 175.76 172.60 1yjk s PRO 146 N 0.89 4.11 0.77 0.00 0.02 -1.25 -3.79 135.00 135.75 1yjk s PRO 146 Ca 0.29 1.96 -0.13 0.00 0.02 0.00 0.00 61.00 63.14 1yjk s PRO 146 Cb -0.00 -2.78 0.06 0.00 0.02 0.00 0.00 34.50 31.80 1yjk s PRO 146 CO -0.06 -0.31 1.16 -2.14 -0.33 0.00 0.00 177.00 175.33 1yjk s PRO 147 N -2.15 1.97 -0.11 5.54 0.02 -1.26 -5.00 135.00 134.00 1yjk s PRO 147 Ca 0.55 1.59 -0.05 0.00 0.02 0.00 0.00 61.00 63.11 1yjk s PRO 147 Cb -0.34 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1yjk s PRO 147 CO 0.43 -1.93 0.08 0.99 -0.33 0.00 0.00 177.00 176.24 1yjk s THR 148 N -2.31 4.98 0.51 0.99 2.01 -1.26 -5.11 115.64 115.45 1yjk s THR 148 Ca 0.70 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.49 1yjk s THR 148 Cb -0.25 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.04 1yjk s THR 148 CO 0.49 0.61 1.05 -1.14 -0.69 0.00 0.00 174.62 174.94 1yjk n ARG 149 N 2.09 1.27 -1.59 4.92 0.63 -1.26 -4.96 116.66 117.76 1yjk n ARG 149 Ca -0.19 0.47 -0.50 0.00 -0.92 0.00 0.00 57.85 56.71 1yjk n ARG 149 Cb 0.54 -2.19 -0.05 0.00 0.45 0.00 0.00 32.46 31.22 1yjk n ARG 149 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1yjk n LEU 150 N -0.18 1.68 -4.70 6.15 4.77 -1.26 -4.97 117.00 118.49 1yjk n LEU 150 Ca 0.11 1.13 -0.37 0.00 -0.03 0.00 0.00 56.01 56.85 1yjk n LEU 150 Cb 0.43 -1.22 0.06 0.00 -2.33 0.00 0.00 43.42 40.37 1yjk n LEU 150 CO 0.54 -1.13 0.81 -2.65 -1.33 0.00 0.00 177.39 173.62 1yjk n PRO 151 N 2.14 1.09 -1.83 3.23 -0.02 -1.26 -4.91 135.00 133.44 1yjk n PRO 151 Ca 0.16 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1yjk n PRO 151 Cb 0.23 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 1yjk n PRO 151 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1yjk s LYS 152 N -3.18 4.15 0.00 -0.52 2.20 -1.26 -2.46 119.74 118.67 1yjk s LYS 152 Ca 0.80 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.93 1yjk s LYS 152 Cb -0.39 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1yjk s LYS 152 CO 0.42 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1yjk n GLY 153 N 2.14 0.71 3.44 5.54 0.00 -1.26 -5.03 105.19 110.73 1yjk n GLY 153 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1yjk n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yjk s VAL 154 N -2.35 3.53 0.04 1.61 1.01 -1.03 -2.51 120.40 120.71 1yjk s VAL 154 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1yjk s VAL 154 Cb 0.00 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1yjk s VAL 154 CO 0.00 0.51 -0.04 -0.83 0.00 0.00 0.00 175.10 174.74 1yjk s GLY 155 N 0.36 0.43 0.23 4.51 0.00 -0.86 -4.69 107.32 107.29 1yjk s GLY 155 Ca -0.07 -0.95 -0.27 0.00 0.00 0.00 0.00 44.72 43.43 1yjk s GLY 155 CO 0.04 -1.03 0.86 -1.36 0.00 0.00 0.00 173.10 171.61 1yjk s PHE 156 N -2.66 3.88 -0.26 1.90 0.40 -0.17 -0.70 117.98 120.37 1yjk s PHE 156 Ca -0.03 1.75 -0.16 0.00 -0.60 0.00 0.00 56.93 57.89 1yjk s PHE 156 Cb -0.01 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.62 1yjk s PHE 156 CO -0.05 0.43 0.43 0.50 0.70 0.00 0.00 175.22 177.23 1yjk s ARG 157 N -1.38 4.06 0.33 0.44 3.52 -1.26 -0.35 118.95 124.30 1yjk s ARG 157 Ca 0.41 0.16 0.07 0.00 -0.13 0.00 0.00 55.73 56.24 1yjk s ARG 157 Cb -0.23 -3.64 -0.07 0.00 -1.56 0.00 0.00 34.95 29.46 1yjk s ARG 157 CO 0.28 -0.27 -0.03 0.14 -0.81 0.00 0.00 175.30 174.60 1yjk s VAL 158 N 2.06 1.79 0.00 7.11 -7.23 -0.21 -4.48 120.40 119.44 1yjk s VAL 158 Ca 0.18 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1yjk s VAL 158 Cb -0.16 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1yjk s VAL 158 CO 0.09 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1yjk n GLY 159 N -0.73 -1.89 7.00 2.32 0.00 -0.09 -0.97 105.19 110.82 1yjk n GLY 159 Ca -0.05 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1yjk n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yjk n GLY 160 N -0.09 0.94 0.14 -0.02 0.00 -0.21 -0.79 105.19 105.16 1yjk n GLY 160 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 1yjk n GLY 160 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yjk h GLU 161 N 0.00 0.34 -0.01 1.61 4.39 -1.93 -3.37 114.58 115.61 1yjk h GLU 161 Ca 0.00 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1yjk h GLU 161 Cb 0.00 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1yjk h GLU 161 CO 0.00 1.26 -0.40 0.25 -1.16 0.00 0.00 179.01 178.97 1yjk n THR 162 N -3.54 0.00 -3.08 1.13 -2.24 -1.26 -5.03 114.28 100.25 1yjk n THR 162 Ca -0.26 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 60.99 1yjk n THR 162 Cb 1.07 1.12 0.01 0.00 -2.10 0.00 0.00 70.33 70.43 1yjk n THR 162 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1yjk s GLY 163 N -1.91 1.54 0.41 3.38 0.00 0.03 -4.94 107.32 105.83 1yjk s GLY 163 Ca 0.10 -1.07 -0.27 0.00 0.00 0.00 0.00 44.72 43.48 1yjk s GLY 163 CO 0.42 -0.93 1.47 -0.56 0.00 0.00 0.00 173.10 173.51 1yjk s SER 164 N -4.19 6.15 0.16 1.64 0.01 -1.26 -3.58 113.70 112.63 1yjk s SER 164 Ca 0.47 3.02 0.23 0.00 1.31 0.00 0.00 55.95 60.98 1yjk s SER 164 Cb -0.10 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 1yjk s SER 164 CO 0.37 -1.00 0.98 0.29 0.41 0.00 0.00 173.24 174.29 1yjk n LYS 165 N 0.21 0.59 -4.29 12.44 4.76 -1.13 -0.91 118.16 129.82 1yjk n LYS 165 Ca 0.02 0.07 -0.21 0.00 -2.87 0.00 0.00 58.31 55.33 1yjk n LYS 165 Cb 0.40 -1.77 -0.11 0.00 -1.84 0.00 0.00 35.03 31.71 1yjk n LYS 165 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yjk s TYR 166 N -3.37 1.67 -0.09 2.13 1.51 -0.35 -0.55 117.35 118.29 1yjk s TYR 166 Ca -0.01 -0.48 -0.05 0.00 -1.01 0.00 0.00 57.07 55.52 1yjk s TYR 166 Cb 0.11 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1yjk s TYR 166 CO 0.80 0.24 0.10 -0.06 -1.11 0.00 0.00 175.55 175.53 1yjk s PHE 167 N -1.88 3.45 -0.15 2.71 0.08 -0.39 -1.45 117.98 120.35 1yjk s PHE 167 Ca 0.11 0.40 0.02 0.00 0.12 0.00 0.00 56.93 57.58 1yjk s PHE 167 Cb -0.06 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1yjk s PHE 167 CO 0.05 0.64 -0.21 0.08 -0.10 0.00 0.00 175.22 175.68 1yjk s VAL 168 N -1.02 2.11 -0.19 -0.44 1.01 0.06 -0.48 120.40 121.45 1yjk s VAL 168 Ca 0.16 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1yjk s VAL 168 Cb -0.12 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1yjk s VAL 168 CO 0.05 0.54 0.10 -0.22 0.00 0.00 0.00 175.10 175.58 1yjk s LEU 169 N 0.96 4.05 -0.19 3.92 2.96 -0.15 -0.88 118.68 129.34 1yjk s LEU 169 Ca -0.03 0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1yjk s LEU 169 Cb -0.15 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1yjk s LEU 169 CO -0.05 0.20 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.59 1yjk s GLN 170 N 0.24 3.61 -0.14 1.98 0.74 -0.44 -1.41 119.66 124.24 1yjk s GLN 170 Ca 0.07 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 54.97 1yjk s GLN 170 Cb -0.12 -3.04 0.01 0.00 1.10 0.00 0.00 33.01 30.96 1yjk s GLN 170 CO -0.01 0.04 -0.20 0.08 -0.55 0.00 0.00 175.29 174.65 1yjk s VAL 171 N 0.91 2.22 -0.26 1.34 1.01 -0.02 -1.01 120.40 124.58 1yjk s VAL 171 Ca 0.01 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1yjk s VAL 171 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1yjk s VAL 171 CO 0.02 0.54 0.06 -2.28 0.00 0.00 0.00 175.10 173.44 1yjk s HIS 172 N 0.79 3.09 -0.26 5.22 5.04 0.85 -1.54 115.29 128.49 1yjk s HIS 172 Ca -0.07 -0.60 -0.15 0.00 -1.54 0.00 0.00 55.06 52.70 1yjk s HIS 172 Cb -0.16 -2.23 -0.04 0.00 0.04 0.00 0.00 32.58 30.19 1yjk s HIS 172 CO -0.01 -0.43 0.40 0.71 -2.34 0.00 0.00 174.74 173.07 1yjk s TYR 173 N 1.58 3.27 0.00 3.88 2.02 0.28 -1.14 117.35 127.23 1yjk s TYR 173 Ca 0.06 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.23 1yjk s TYR 173 Cb -0.15 -2.58 0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1yjk s TYR 173 CO 0.03 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 1yjk n GLY 174 N 4.52 0.98 3.75 0.71 0.00 0.01 -1.31 105.19 113.86 1yjk n GLY 174 Ca -0.08 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1yjk n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yjk s ASP 175 N -1.00 6.70 0.03 1.61 1.01 -1.26 -2.16 116.67 121.59 1yjk s ASP 175 Ca 0.00 2.66 0.08 0.00 0.71 0.00 0.00 52.55 56.00 1yjk s ASP 175 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1yjk s ASP 175 CO 0.00 -0.65 -0.23 -0.63 0.21 0.00 0.00 175.17 173.87 1yjk s ILE 176 N -0.32 2.36 0.50 0.77 -1.09 -1.26 -4.78 121.20 117.37 1yjk s ILE 176 Ca 0.56 -1.24 -0.21 0.00 -2.23 0.00 0.00 60.65 57.53 1yjk s ILE 176 Cb -0.41 -1.92 -0.07 0.00 -1.58 0.00 0.00 42.46 38.48 1yjk s ILE 176 CO 0.46 0.41 1.10 -0.55 -1.23 0.00 0.00 174.94 175.13 1yjk s SER 177 N -1.15 6.09 0.67 3.58 0.15 -1.26 -4.83 113.70 116.95 1yjk s SER 177 Ca 0.12 2.12 0.39 0.00 0.70 0.00 0.00 55.95 59.28 1yjk s SER 177 Cb -0.10 -2.58 2.13 0.00 -1.71 0.00 0.00 66.02 63.76 1yjk s SER 177 CO 0.02 -0.96 2.21 0.00 1.20 0.00 0.00 173.24 175.71 1yjk h ALA 178 N 1.59 1.15 -0.07 5.45 0.00 -2.01 -3.31 119.26 122.07 1yjk h ALA 178 Ca -0.50 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1yjk h ALA 178 Cb 1.24 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1yjk h ALA 178 CO 0.59 -0.13 -0.54 1.19 0.00 0.00 0.00 179.25 180.36 1yjk n PHE 179 N -3.04 0.25 -2.32 0.00 3.72 -1.26 -4.65 117.46 110.15 1yjk n PHE 179 Ca -0.03 -1.55 -0.20 0.00 -0.05 0.00 0.00 57.45 55.63 1yjk n PHE 179 Cb 0.19 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.49 1yjk n PHE 179 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1yjk n ARG 180 N -1.06 3.06 0.21 -1.08 1.74 -1.25 -4.70 116.66 113.58 1yjk n ARG 180 Ca 0.21 -4.08 0.09 0.00 -0.77 0.00 0.00 57.85 53.30 1yjk n ARG 180 Cb 0.72 -2.08 0.35 0.00 -1.02 0.00 0.00 32.46 30.43 1yjk n ARG 180 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1yjk h ASP 181 N 2.42 0.00 0.74 0.55 3.32 -1.89 -3.17 116.42 118.39 1yjk h ASP 181 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1yjk h ASP 181 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1yjk h ASP 181 CO 0.67 0.26 -0.27 0.59 -1.72 0.00 0.00 179.24 178.77 1yjk n ASN 182 N -3.32 0.28 -4.69 6.45 4.13 -1.26 -4.98 115.26 111.87 1yjk n ASN 182 Ca 0.01 0.10 -0.41 0.00 1.68 0.00 0.00 54.58 55.96 1yjk n ASN 182 Cb 0.50 -0.10 -0.04 0.00 -1.54 0.00 0.00 39.78 38.60 1yjk n ASN 182 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1yjk s HIS 183 N -3.00 3.48 -0.04 3.10 2.46 -1.20 -5.05 115.29 115.04 1yjk s HIS 183 Ca 0.12 1.23 -0.11 0.00 0.47 0.00 0.00 55.06 56.77 1yjk s HIS 183 Cb 0.18 -2.91 -0.05 0.00 -0.13 0.00 0.00 32.58 29.67 1yjk s HIS 183 CO 0.62 -0.10 0.29 0.15 -2.47 0.00 0.00 174.74 173.23 1yjk s LYS 184 N 1.57 3.70 -0.04 2.88 1.02 -1.26 -4.21 119.74 123.40 1yjk s LYS 184 Ca 0.37 0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.57 1yjk s LYS 184 Cb -0.17 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 1yjk s LYS 184 CO 0.15 0.72 -0.20 0.34 -0.92 0.00 0.00 175.35 175.44 1yjk s ASP 185 N -1.13 2.48 -0.29 2.83 2.15 -0.09 -4.84 116.67 117.78 1yjk s ASP 185 Ca 0.21 -0.40 0.07 0.00 0.43 0.00 0.00 52.55 52.86 1yjk s ASP 185 Cb -0.14 -0.61 0.46 0.00 -0.30 0.00 0.00 42.92 42.32 1yjk s ASP 185 CO 0.10 0.20 1.19 0.00 -0.17 0.00 0.00 175.17 176.49 1yjk s SER 187 N -3.60 5.71 0.00 0.00 0.01 -1.26 -4.12 113.70 110.43 1yjk s SER 187 Ca 0.50 2.59 0.00 0.00 1.31 0.00 0.00 55.95 60.35 1yjk s SER 187 Cb 0.41 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1yjk s SER 187 CO 0.04 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.04 1yjk n GLY 188 N 0.61 -0.82 2.91 3.44 0.00 -0.78 0.00 105.19 110.55 1yjk n GLY 188 Ca 0.08 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1yjk n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yjk s VAL 189 N -4.00 -0.00 0.06 1.61 1.01 -0.31 0.54 120.40 119.31 1yjk s VAL 189 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1yjk s VAL 189 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.26 1yjk s VAL 189 CO 0.00 0.00 0.33 -0.44 0.00 0.00 0.00 175.10 174.99 1yjk s SER 190 N 0.07 6.53 -0.09 3.32 0.01 0.14 -0.41 113.70 123.28 1yjk s SER 190 Ca -0.00 0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.90 1yjk s SER 190 Cb -0.01 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 64.12 1yjk s SER 190 CO -0.00 0.18 -0.16 -0.69 0.41 0.00 0.00 173.24 172.98 1yjk s VAL 191 N -1.41 1.49 -0.31 3.43 1.01 -0.20 -0.64 120.40 123.76 1yjk s VAL 191 Ca 0.32 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 1yjk s VAL 191 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1yjk s VAL 191 CO 0.19 0.44 0.49 -2.28 0.00 0.00 0.00 175.10 173.94 1yjk s HIS 192 N 0.74 3.22 0.04 5.22 2.46 -0.04 -1.37 115.29 125.56 1yjk s HIS 192 Ca -0.12 0.37 0.06 0.00 0.47 0.00 0.00 55.06 55.84 1yjk s HIS 192 Cb -0.16 -2.80 -0.03 0.00 -0.13 0.00 0.00 32.58 29.45 1yjk s HIS 192 CO 0.03 -0.41 -0.14 -0.51 -2.47 0.00 0.00 174.74 171.24 1yjk s LEU 193 N 2.32 2.83 0.03 8.88 2.01 -0.21 -0.99 118.68 133.55 1yjk s LEU 193 Ca 0.19 -0.35 0.05 0.00 0.01 0.00 0.00 54.13 54.02 1yjk s LEU 193 Cb -0.16 -1.65 -0.02 0.00 0.01 0.00 0.00 46.19 44.37 1yjk s LEU 193 CO 0.11 0.25 -0.14 0.28 1.01 0.00 0.00 176.35 177.86 1yjk s THR 194 N -1.00 1.07 -2.14 5.49 -1.32 0.00 -0.43 115.64 117.31 1yjk s THR 194 Ca 0.17 -0.92 0.29 0.00 -1.21 0.00 0.00 61.69 60.01 1yjk s THR 194 Cb -0.11 -0.96 0.57 0.00 -1.51 0.00 0.00 72.50 70.50 1yjk s THR 194 CO 0.07 0.04 1.85 0.54 -2.21 0.00 0.00 174.62 174.91 1yjk n ARG 195 N 2.03 1.24 -2.46 7.08 1.74 0.18 0.34 116.66 126.82 1yjk n ARG 195 Ca -0.17 -0.56 -0.43 0.00 -0.77 0.00 0.00 57.85 55.92 1yjk n ARG 195 Cb 0.55 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 1yjk n ARG 195 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yjk s VAL 196 N -2.15 4.31 0.11 1.55 1.01 -1.26 -4.95 120.40 119.02 1yjk s VAL 196 Ca 0.37 1.60 -0.35 0.00 0.00 0.00 0.00 61.98 63.60 1yjk s VAL 196 Cb 0.21 -4.03 -0.15 0.00 0.00 0.00 0.00 36.38 32.40 1yjk s VAL 196 CO 0.39 -0.10 1.47 -2.65 0.00 0.00 0.00 175.10 174.21 1yjk n PRO 197 N 6.16 1.63 -3.52 2.72 -0.02 -1.26 -4.81 135.00 135.90 1yjk n PRO 197 Ca 0.13 0.59 -0.36 0.00 -2.02 0.00 0.00 63.50 61.84 1yjk n PRO 197 Cb 0.45 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1yjk n PRO 197 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1yjk s GLN 198 N 0.81 3.85 0.49 -0.52 -1.52 -1.26 -4.99 119.66 116.51 1yjk s GLN 198 Ca 0.82 0.30 0.24 0.00 -1.95 0.00 0.00 55.36 54.77 1yjk s GLN 198 Cb -0.83 -3.06 1.29 0.00 -0.22 0.00 0.00 33.01 30.20 1yjk s GLN 198 CO 0.43 0.59 2.03 -1.00 -0.25 0.00 0.00 175.29 177.10 1yjk h PRO 199 N 4.03 0.00 -4.70 2.91 0.13 -1.94 -3.43 132.00 129.00 1yjk h PRO 199 Ca -0.50 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.21 1yjk h PRO 199 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1yjk h PRO 199 CO 0.65 0.15 -0.79 -0.51 -0.23 0.00 0.00 178.00 177.27 1yjk s LEU 200 N -7.61 1.88 -0.15 1.56 1.43 -1.04 -0.81 118.68 113.94 1yjk s LEU 200 Ca -0.03 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1yjk s LEU 200 Cb 0.14 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1yjk s LEU 200 CO 0.62 0.09 -0.18 -0.63 0.23 0.00 0.00 176.35 176.48 1yjk s ILE 201 N 0.02 2.39 0.45 -0.59 -1.09 0.42 -2.03 121.20 120.78 1yjk s ILE 201 Ca -0.00 -0.86 -0.20 0.00 -2.23 0.00 0.00 60.65 57.35 1yjk s ILE 201 Cb -0.07 -1.99 -0.10 0.00 -1.58 0.00 0.00 42.46 38.73 1yjk s ILE 201 CO 0.00 0.53 0.97 0.00 -1.23 0.00 0.00 174.94 175.21 1yjk s ALA 202 N 0.81 3.02 0.15 9.38 0.00 0.12 -1.65 121.76 133.59 1yjk s ALA 202 Ca -0.06 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 1yjk s ALA 202 Cb -0.15 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1yjk s ALA 202 CO -0.01 -0.01 0.25 0.41 0.00 0.00 0.00 175.76 176.41 1yjk n GLY 203 N -0.75 2.22 3.01 0.00 0.00 0.29 -4.48 105.19 105.49 1yjk n GLY 203 Ca 0.07 -1.32 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 1yjk n GLY 203 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1yjk s MET 204 N -2.20 1.41 -0.31 1.61 1.75 -0.80 -1.43 119.30 119.32 1yjk s MET 204 Ca 0.10 -0.36 -0.05 0.00 -1.25 0.00 0.00 55.69 54.13 1yjk s MET 204 Cb -0.01 -1.22 0.04 0.00 2.84 0.00 0.00 34.83 36.48 1yjk s MET 204 CO 0.07 0.05 0.06 -0.47 -0.65 0.00 0.00 175.02 174.08 1yjk s TYR 205 N 0.53 3.22 -0.31 4.11 6.14 0.38 -0.68 117.35 130.75 1yjk s TYR 205 Ca -0.11 -1.48 -0.12 0.00 0.64 0.00 0.00 57.07 56.00 1yjk s TYR 205 Cb -0.14 -2.21 -0.03 0.00 0.42 0.00 0.00 41.96 40.00 1yjk s TYR 205 CO 0.02 -0.73 0.23 -1.17 0.64 0.00 0.00 175.55 174.55 1yjk s LEU 206 N 1.37 4.31 -0.21 6.97 2.96 0.19 -0.08 118.68 134.19 1yjk s LEU 206 Ca -0.02 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 1yjk s LEU 206 Cb -0.19 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1yjk s LEU 206 CO 0.01 -0.17 0.10 -0.04 -1.32 0.00 0.00 176.35 174.93 1yjk s MET 207 N 1.77 3.98 -0.02 1.98 -1.94 0.05 -0.13 119.30 124.99 1yjk s MET 207 Ca 0.07 -0.33 0.02 0.00 -1.71 0.00 0.00 55.69 53.74 1yjk s MET 207 Cb -0.17 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.33 1yjk s MET 207 CO 0.11 0.15 -0.05 -1.64 -0.01 0.00 0.00 175.02 173.57 1yjk s MET 208 N 0.76 0.60 -0.09 2.03 -1.94 0.07 -0.39 119.30 120.32 1yjk s MET 208 Ca 0.05 -0.17 -0.18 0.00 -1.71 0.00 0.00 55.69 53.68 1yjk s MET 208 Cb -0.13 -0.60 -0.05 0.00 2.01 0.00 0.00 34.83 36.07 1yjk s MET 208 CO 0.02 0.06 0.47 0.45 -0.01 0.00 0.00 175.02 176.01 1yjk s SER 209 N 0.24 6.72 0.00 3.03 0.15 -0.37 -4.14 113.70 119.32 1yjk s SER 209 Ca -0.03 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1yjk s SER 209 Cb -0.07 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1yjk s SER 209 CO -0.00 0.06 0.00 1.33 1.20 0.00 0.00 173.24 175.83 1yjk n VAL 210 N 3.30 0.00 0.34 4.45 0.24 -1.25 -3.62 118.33 121.79 1yjk n VAL 210 Ca -0.08 -0.25 0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1yjk n VAL 210 Cb 0.52 0.87 -0.12 0.00 -1.47 0.00 0.00 33.84 33.63 1yjk n VAL 210 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1yjk n ASP 211 N -0.69 0.85 -4.80 -1.34 -0.08 -1.25 -4.69 116.55 104.54 1yjk n ASP 211 Ca 0.00 -0.38 -0.31 0.00 -1.51 0.00 0.00 54.79 52.59 1yjk n ASP 211 Cb 0.00 1.49 -0.06 0.00 2.34 0.00 0.00 41.12 44.88 1yjk n ASP 211 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1yjk s THR 212 N -3.01 4.74 0.03 5.18 2.01 -1.26 -4.99 115.64 118.34 1yjk s THR 212 Ca -0.01 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.43 1yjk s THR 212 Cb 0.12 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 1yjk s THR 212 CO 0.74 0.18 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.02 1yjk s VAL 213 N -1.36 1.10 -0.49 3.82 1.01 -1.26 -1.28 120.40 121.93 1yjk s VAL 213 Ca 0.29 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1yjk s VAL 213 Cb -0.12 -0.98 0.10 0.00 0.00 0.00 0.00 36.38 35.37 1yjk s VAL 213 CO 0.21 0.06 0.43 -0.63 0.00 0.00 0.00 175.10 175.17 1yjk s ILE 214 N -0.74 5.15 0.14 2.22 1.01 -0.51 -4.89 121.20 123.58 1yjk s ILE 214 Ca 0.02 -1.26 -0.31 0.00 0.00 0.00 0.00 60.65 59.10 1yjk s ILE 214 Cb -0.07 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 1yjk s ILE 214 CO 0.01 -0.69 1.48 -2.84 0.00 0.00 0.00 174.94 172.90 1yjk s PRO 215 N 1.61 4.26 0.38 2.79 0.02 -1.26 -1.95 135.00 140.85 1yjk s PRO 215 Ca 0.04 2.22 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 1yjk s PRO 215 Cb -0.26 -3.21 -0.13 0.00 0.02 0.00 0.00 34.50 30.92 1yjk s PRO 215 CO 0.05 -0.53 0.78 -0.35 -0.33 0.00 0.00 177.00 176.62 1yjk n PRO 216 N 3.99 0.92 -1.06 5.54 -0.04 -1.26 -1.66 135.00 141.43 1yjk n PRO 216 Ca 0.13 0.33 -0.02 0.00 -0.04 0.00 0.00 63.50 63.90 1yjk n PRO 216 Cb 0.40 -1.70 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1yjk n PRO 216 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yjk n GLY 217 N 1.50 0.39 3.67 0.55 0.00 0.11 -4.93 105.19 106.48 1yjk n GLY 217 Ca 0.11 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1yjk n GLY 217 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yjk s GLU 218 N -1.52 4.18 0.47 1.61 0.41 -0.66 -4.67 118.70 118.52 1yjk s GLU 218 Ca 0.00 0.22 0.15 0.00 -0.41 0.00 0.00 54.97 54.93 1yjk s GLU 218 Cb 0.00 -3.53 1.09 0.00 -1.78 0.00 0.00 34.13 29.91 1yjk s GLU 218 CO 0.00 -0.03 2.05 1.57 -0.49 0.00 0.00 175.26 178.36 1yjk h LYS 219 N 7.33 0.02 -3.33 1.61 2.10 -1.91 0.32 116.57 122.72 1yjk h LYS 219 Ca -0.36 -0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 57.92 1yjk h LYS 219 Cb 1.16 -0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 32.10 1yjk h LYS 219 CO 0.72 0.12 -0.74 0.08 -2.00 0.00 0.00 179.45 177.63 1yjk s VAL 220 N -4.84 -0.10 -0.06 0.07 1.01 -1.26 -4.21 120.40 111.02 1yjk s VAL 220 Ca -0.05 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1yjk s VAL 220 Cb 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.41 1yjk s VAL 220 CO 0.69 0.17 -0.12 -0.69 0.00 0.00 0.00 175.10 175.15 1yjk s VAL 221 N 2.09 1.10 -0.08 2.92 1.01 0.37 -4.95 120.40 122.85 1yjk s VAL 221 Ca 0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 1yjk s VAL 221 Cb -0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1yjk s VAL 221 CO -0.03 0.34 0.31 0.20 0.00 0.00 0.00 175.10 175.92 1yjk s ASN 222 N 0.57 6.59 -0.22 3.32 0.01 -1.26 0.23 114.94 124.17 1yjk s ASN 222 Ca -0.12 0.70 -0.02 0.00 -0.71 0.00 0.00 52.86 52.71 1yjk s ASN 222 Cb -0.15 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.34 1yjk s ASN 222 CO 0.03 0.27 -0.09 0.00 -1.51 0.00 0.00 177.10 175.80 1yjk s ALA 223 N -0.56 2.65 -0.09 0.60 0.00 0.29 -4.97 121.76 119.69 1yjk s ALA 223 Ca 0.19 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1yjk s ALA 223 Cb -0.14 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1yjk s ALA 223 CO 0.08 -0.56 -0.01 -0.51 0.00 0.00 0.00 175.76 174.76 1yjk s ASP 224 N 1.37 5.14 -0.03 0.00 1.01 -1.26 -0.86 116.67 122.04 1yjk s ASP 224 Ca 0.03 0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.43 1yjk s ASP 224 Cb -0.15 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.32 1yjk s ASP 224 CO -0.06 0.36 -0.12 -0.63 0.21 0.00 0.00 175.17 174.93 1yjk s ILE 225 N -0.76 0.99 -0.19 0.77 1.01 0.05 -4.60 121.20 118.47 1yjk s ILE 225 Ca 0.12 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 1yjk s ILE 225 Cb -0.11 -0.87 0.05 0.00 0.01 0.00 0.00 42.46 41.54 1yjk s ILE 225 CO 0.02 0.30 0.48 -0.94 0.00 0.00 0.00 174.94 174.80 1yjk s SER 226 N 0.16 -0.55 0.02 3.58 1.04 0.37 -0.36 113.70 117.97 1yjk s SER 226 Ca -0.04 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1yjk s SER 226 Cb -0.10 0.96 -0.02 0.00 0.10 0.00 0.00 66.02 66.96 1yjk s SER 226 CO 0.01 -0.18 -0.03 0.00 0.98 0.00 0.00 173.24 174.02 1yjk s GLN 228 N -1.40 4.16 -0.16 0.00 0.74 -1.26 -1.42 119.66 120.32 1yjk s GLN 228 Ca -0.15 1.39 -0.08 0.00 0.05 0.00 0.00 55.36 56.57 1yjk s GLN 228 Cb -0.10 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.55 1yjk s GLN 228 CO -0.01 -0.12 0.12 -0.47 -0.55 0.00 0.00 175.29 174.26 1yjk s TYR 229 N -1.81 3.45 -0.04 1.67 5.04 0.14 -4.88 117.35 120.92 1yjk s TYR 229 Ca 0.59 0.37 0.22 0.00 -2.44 0.00 0.00 57.07 55.81 1yjk s TYR 229 Cb -0.18 -2.05 0.39 0.00 0.35 0.00 0.00 41.96 40.47 1yjk s TYR 229 CO 0.23 0.45 1.15 1.63 -1.34 0.00 0.00 175.55 177.67 1yjk n LYS 230 N 2.87 0.26 -3.26 4.97 5.02 -1.26 -1.26 118.16 125.50 1yjk n LYS 230 Ca -0.18 -2.05 -0.21 0.00 -2.02 0.00 0.00 58.31 53.85 1yjk n LYS 230 Cb 0.53 -0.14 0.03 0.00 -0.02 0.00 0.00 35.03 35.43 1yjk n LYS 230 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1yjk n MET 231 N 0.24 0.70 -0.71 1.97 2.81 -1.26 -4.94 117.12 115.93 1yjk n MET 231 Ca 0.01 -3.02 -0.32 0.00 -1.81 0.00 0.00 57.70 52.57 1yjk n MET 231 Cb 1.04 0.08 0.16 0.00 -0.71 0.00 0.00 33.22 33.79 1yjk n MET 231 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1yjk n TYR 232 N -1.90 -0.18 -1.74 2.03 4.01 -1.26 -3.83 117.16 114.29 1yjk n TYR 232 Ca 0.06 0.30 -0.41 0.00 -0.16 0.00 0.00 57.90 57.69 1yjk n TYR 232 Cb 0.56 -1.89 0.01 0.00 -0.31 0.00 0.00 39.34 37.71 1yjk n TYR 232 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1yjk n PRO 233 N -3.28 2.27 -4.39 -0.72 -0.02 -1.26 -4.83 135.00 122.76 1yjk n PRO 233 Ca 0.09 0.80 -0.28 0.00 -2.02 0.00 0.00 63.50 62.10 1yjk n PRO 233 Cb 0.53 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 1yjk n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yjk s MET 234 N -2.17 1.34 -0.23 -0.52 0.23 -0.77 -4.55 119.30 112.63 1yjk s MET 234 Ca 0.58 -1.28 0.02 0.00 -1.03 0.00 0.00 55.69 53.97 1yjk s MET 234 Cb -0.50 -1.75 0.05 0.00 -1.53 0.00 0.00 34.83 31.10 1yjk s MET 234 CO 0.61 0.42 -0.11 -1.01 -2.03 0.00 0.00 175.02 172.89 1yjk s HIS 235 N -1.07 2.85 -0.25 3.16 3.76 0.74 -0.25 115.29 124.23 1yjk s HIS 235 Ca 0.12 -1.96 -0.26 0.00 -0.15 0.00 0.00 55.06 52.81 1yjk s HIS 235 Cb -0.10 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.79 1yjk s HIS 235 CO 0.05 -0.82 0.92 0.08 -0.85 0.00 0.00 174.74 174.12 1yjk s VAL 236 N 1.25 4.76 0.00 -0.90 1.01 -0.13 -0.77 120.40 125.62 1yjk s VAL 236 Ca -0.04 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1yjk s VAL 236 Cb -0.18 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1yjk s VAL 236 CO -0.07 -0.15 0.33 2.22 0.00 0.00 0.00 175.10 177.42 1yjk n PHE 237 N 6.19 0.00 -3.61 5.22 1.16 -0.33 -1.93 117.46 124.15 1yjk n PHE 237 Ca 0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.56 1yjk n PHE 237 Cb 0.47 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 1yjk n PHE 237 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yjk s ALA 238 N -0.33 -1.41 0.14 1.98 0.00 -1.13 -1.73 121.76 119.27 1yjk s ALA 238 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 1yjk s ALA 238 Cb 0.00 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.01 1yjk s ALA 238 CO 0.00 -0.88 0.37 1.52 0.00 0.00 0.00 175.76 176.78 1yjk s TYR 239 N -3.82 -0.03 -0.03 0.00 1.13 -0.56 -1.12 117.35 112.91 1yjk s TYR 239 Ca 0.05 -0.32 -0.04 0.00 -1.41 0.00 0.00 57.07 55.36 1yjk s TYR 239 Cb -0.03 0.19 0.01 0.00 -1.10 0.00 0.00 41.96 41.02 1yjk s TYR 239 CO -0.05 -0.73 0.10 0.50 -2.51 0.00 0.00 175.55 172.87 1yjk s ARG 240 N -3.85 0.16 0.08 -3.49 3.52 -0.70 -0.26 118.95 114.41 1yjk s ARG 240 Ca 0.07 0.07 0.07 0.00 -0.13 0.00 0.00 55.73 55.81 1yjk s ARG 240 Cb 0.02 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1yjk s ARG 240 CO -0.08 -0.02 -0.14 0.14 -0.81 0.00 0.00 175.30 174.39 1yjk s VAL 241 N -0.13 3.13 -0.11 7.11 -7.23 -1.26 -0.47 120.40 121.44 1yjk s VAL 241 Ca -0.02 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1yjk s VAL 241 Cb -0.02 -2.42 0.06 0.00 0.56 0.00 0.00 36.38 34.56 1yjk s VAL 241 CO 0.00 0.19 0.23 -2.28 -0.31 0.00 0.00 175.10 172.92 1yjk s HIS 242 N -1.11 -0.33 0.26 2.82 5.04 -0.15 -4.79 115.29 117.03 1yjk s HIS 242 Ca 0.19 0.82 0.04 0.00 -1.54 0.00 0.00 55.06 54.56 1yjk s HIS 242 Cb -0.11 -0.08 -0.01 0.00 0.04 0.00 0.00 32.58 32.41 1yjk s HIS 242 CO 0.10 -0.30 0.26 0.25 -2.34 0.00 0.00 174.74 172.71 1yjk n THR 243 N 5.08 0.00 -1.17 0.89 -2.24 -1.26 -0.92 114.28 114.66 1yjk n THR 243 Ca -0.10 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 1yjk n THR 243 Cb 0.50 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1yjk n THR 243 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1yjk n HIS 244 N -0.47 0.00 0.27 4.78 -0.00 -1.26 -4.92 115.22 113.62 1yjk n HIS 244 Ca 0.05 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.94 1yjk n HIS 244 Cb 0.46 0.00 0.92 0.00 -0.00 0.00 0.00 29.99 31.37 1yjk n HIS 244 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1yjk h HIS 245 N 0.00 0.00 -0.00 4.41 2.07 -1.98 -2.82 115.15 116.82 1yjk h HIS 245 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1yjk h HIS 245 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1yjk h HIS 245 CO 0.00 0.00 -0.34 1.28 -3.07 0.00 0.00 177.93 175.80 1yjk n LEU 246 N -3.66 0.80 -4.74 6.12 4.77 -1.26 -4.91 117.00 114.13 1yjk n LEU 246 Ca -0.01 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.41 1yjk n LEU 246 Cb 0.20 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1yjk n LEU 246 CO 0.25 0.16 1.05 -0.83 -1.33 0.00 0.00 177.39 176.70 1yjk s GLY 247 N -2.68 2.35 -0.16 -0.72 0.00 -1.07 -1.00 107.32 104.04 1yjk s GLY 247 Ca 0.20 1.22 0.01 0.00 0.00 0.00 0.00 44.72 46.14 1yjk s GLY 247 CO 0.58 2.19 -0.14 0.28 0.00 0.00 0.00 173.10 176.02 1yjk n LYS 248 N 2.59 0.39 -3.55 2.90 5.02 0.12 -4.68 118.16 120.95 1yjk n LYS 248 Ca 0.07 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 1yjk n LYS 248 Cb 0.41 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1yjk n LYS 248 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1yjk s VAL 249 N -2.31 0.00 -0.03 -0.18 0.11 -1.14 -4.31 120.40 112.54 1yjk s VAL 249 Ca -0.21 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1yjk s VAL 249 Cb 0.06 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1yjk s VAL 249 CO 0.36 0.00 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.42 1yjk s VAL 250 N -1.11 0.28 0.02 2.04 1.01 -0.61 -0.26 120.40 121.78 1yjk s VAL 250 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1yjk s VAL 250 Cb -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1yjk s VAL 250 CO 0.05 0.16 -0.08 -0.44 0.00 0.00 0.00 175.10 174.79 1yjk s SER 251 N 0.86 0.94 -0.02 3.32 0.01 -0.44 -0.79 113.70 117.58 1yjk s SER 251 Ca -0.09 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 56.88 1yjk s SER 251 Cb -0.13 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1yjk s SER 251 CO -0.01 -0.05 -0.21 -0.83 0.41 0.00 0.00 173.24 172.55 1yjk s GLY 252 N -0.92 1.05 0.02 3.44 0.00 0.60 -1.51 107.32 110.00 1yjk s GLY 252 Ca -0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 43.78 1yjk s GLY 252 CO 0.00 -0.74 -0.02 -0.19 0.00 0.00 0.00 173.10 172.15 1yjk s TYR 253 N -0.46 0.21 -0.19 1.90 1.51 0.99 0.06 117.35 121.37 1yjk s TYR 253 Ca 0.07 -0.42 -0.14 0.00 -1.01 0.00 0.00 57.07 55.57 1yjk s TYR 253 Cb -0.09 -0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.57 1yjk s TYR 253 CO -0.00 -0.15 0.29 0.50 -1.11 0.00 0.00 175.55 175.07 1yjk s ARG 254 N -1.17 4.19 -0.18 -0.62 3.52 -0.67 -0.81 118.95 123.21 1yjk s ARG 254 Ca -0.13 0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1yjk s ARG 254 Cb -0.08 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 1yjk s ARG 254 CO -0.01 0.11 -0.03 0.08 -0.81 0.00 0.00 175.30 174.65 1yjk s VAL 255 N 0.86 3.80 -0.07 7.11 1.01 0.11 -0.59 120.40 132.63 1yjk s VAL 255 Ca 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1yjk s VAL 255 Cb -0.13 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1yjk s VAL 255 CO 0.05 0.46 -0.01 -0.60 0.00 0.00 0.00 175.10 174.99 1yjk s ARG 256 N 0.78 0.73 -1.57 2.72 3.52 -0.61 -1.12 118.95 123.40 1yjk s ARG 256 Ca -0.01 0.04 -0.09 0.00 -0.13 0.00 0.00 55.73 55.54 1yjk s ARG 256 Cb -0.14 -1.00 0.08 0.00 -1.56 0.00 0.00 34.95 32.32 1yjk s ARG 256 CO 0.02 -0.26 0.54 0.09 -0.81 0.00 0.00 175.30 174.87 1yjk n ASN 257 N 4.93 -1.53 0.00 -2.12 5.03 -1.26 -0.75 115.26 119.56 1yjk n ASN 257 Ca -0.11 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.29 1yjk n ASN 257 Cb 0.50 -2.69 0.00 0.00 -1.02 0.00 0.00 39.78 36.57 1yjk n ASN 257 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1yjk n GLY 258 N -1.77 0.83 3.62 7.41 0.00 -1.26 -5.02 105.19 108.99 1yjk n GLY 258 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1yjk n GLY 258 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yjk s GLN 259 N -0.17 3.73 -0.16 1.61 -0.21 0.07 -5.09 119.66 119.44 1yjk s GLN 259 Ca 0.00 -0.39 -0.14 0.00 0.02 0.00 0.00 55.36 54.85 1yjk s GLN 259 Cb 0.00 -3.07 -0.05 0.00 1.00 0.00 0.00 33.01 30.89 1yjk s GLN 259 CO 0.00 0.35 0.32 -1.58 -2.12 0.00 0.00 175.29 172.26 1yjk s TRP 260 N 0.12 3.45 -0.16 0.91 0.52 -1.26 -1.57 118.94 120.94 1yjk s TRP 260 Ca 0.03 0.62 -0.00 0.00 0.02 0.00 0.00 56.10 56.77 1yjk s TRP 260 Cb -0.13 -2.38 -0.00 0.00 -1.15 0.00 0.00 33.47 29.81 1yjk s TRP 260 CO 0.01 0.20 -0.14 0.99 0.02 0.00 0.00 176.95 178.04 1yjk s THR 261 N 0.59 2.77 0.25 2.01 2.01 0.24 -4.99 115.64 118.52 1yjk s THR 261 Ca 0.18 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1yjk s THR 261 Cb -0.13 -2.19 -0.11 0.00 0.01 0.00 0.00 72.50 70.08 1yjk s THR 261 CO 0.05 0.50 1.54 -0.22 -0.69 0.00 0.00 174.62 175.80 1yjk s LEU 262 N 0.91 4.37 -0.21 4.42 2.96 -1.26 -1.67 118.68 128.20 1yjk s LEU 262 Ca -0.03 2.78 -0.19 0.00 -0.22 0.00 0.00 54.13 56.47 1yjk s LEU 262 Cb -0.15 -3.62 -0.16 0.00 0.50 0.00 0.00 46.19 42.75 1yjk s LEU 262 CO -0.01 -0.82 0.12 -0.38 -1.32 0.00 0.00 176.35 173.94 1yjk n ILE 263 N 2.63 1.52 -3.62 6.68 5.41 0.11 -4.87 119.36 127.22 1yjk n ILE 263 Ca 0.09 -0.02 -0.01 0.00 1.00 0.00 0.00 62.75 63.81 1yjk n ILE 263 Cb 0.39 -2.08 -0.02 0.00 -0.71 0.00 0.00 39.64 37.22 1yjk n ILE 263 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1yjk s GLY 264 N -4.83 -0.27 -0.11 7.39 0.00 -1.12 -4.81 107.32 103.57 1yjk s GLY 264 Ca -0.28 1.68 -0.09 0.00 0.00 0.00 0.00 44.72 46.04 1yjk s GLY 264 CO 0.54 0.53 0.29 1.09 0.00 0.00 0.00 173.10 175.55 1yjk s ARG 265 N -2.09 0.31 -0.01 2.90 1.70 -1.26 -0.29 118.95 120.20 1yjk s ARG 265 Ca 0.12 0.47 -0.20 0.00 -0.47 0.00 0.00 55.73 55.64 1yjk s ARG 265 Cb 0.01 0.08 0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1yjk s ARG 265 CO -0.03 -0.08 0.44 -1.14 -1.08 0.00 0.00 175.30 173.41 1yjk s GLN 266 N 0.53 0.83 -0.04 3.89 2.00 0.03 -4.97 119.66 121.94 1yjk s GLN 266 Ca -0.03 -0.09 -0.30 0.00 -2.00 0.00 0.00 55.36 52.94 1yjk s GLN 266 Cb -0.05 0.38 -0.05 0.00 0.80 0.00 0.00 33.01 34.09 1yjk s GLN 266 CO -0.03 -0.25 1.48 1.21 -0.50 0.00 0.00 175.29 177.20 1yjk s ASN 267 N -1.41 6.79 0.00 6.67 3.84 -1.26 -1.58 114.94 127.99 1yjk s ASN 267 Ca -0.11 2.12 0.22 0.00 0.21 0.00 0.00 52.86 55.29 1yjk s ASN 267 Cb -0.03 -2.55 1.11 0.00 -0.55 0.00 0.00 41.25 39.23 1yjk s ASN 267 CO 0.05 -0.80 1.70 -0.81 -2.79 0.00 0.00 177.10 174.45 1yjk n PRO 268 N 6.12 0.32 0.11 0.43 -0.04 -1.26 -1.99 135.00 138.69 1yjk n PRO 268 Ca 0.15 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1yjk n PRO 268 Cb 0.43 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.61 1yjk n PRO 268 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1yjk h GLN 269 N 0.00 0.00 -7.37 0.54 1.08 -1.89 -3.43 115.11 104.04 1yjk h GLN 269 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1yjk h GLN 269 Cb 0.20 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 27.73 1yjk h GLN 269 CO 0.00 0.00 0.35 -0.51 -0.95 0.00 0.00 178.83 177.72 1yjk s LEU 270 N -4.81 2.87 -0.48 1.46 1.43 -0.84 -4.94 118.68 113.37 1yjk s LEU 270 Ca 0.07 1.47 -0.46 0.00 -1.03 0.00 0.00 54.13 54.18 1yjk s LEU 270 Cb 0.11 -4.21 -0.19 0.00 0.03 0.00 0.00 46.19 41.92 1yjk s LEU 270 CO 0.68 -1.70 1.76 -2.65 0.23 0.00 0.00 176.35 174.68 1yjk n PRO 271 N -3.28 0.09 -1.55 1.29 -0.02 -1.26 -4.81 135.00 125.46 1yjk n PRO 271 Ca 0.07 0.03 -0.35 0.00 -2.02 0.00 0.00 63.50 61.23 1yjk n PRO 271 Cb 0.55 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 1yjk n PRO 271 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1yjk n GLN 272 N 5.09 3.73 -1.37 -0.52 6.02 -1.26 -4.89 117.38 124.17 1yjk n GLN 272 Ca 0.37 -2.55 -0.14 0.00 -0.01 0.00 0.00 57.00 54.67 1yjk n GLN 272 Cb -0.04 -2.58 0.09 0.00 1.02 0.00 0.00 30.24 28.73 1yjk n GLN 272 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yjk n ALA 273 N 2.49 -0.33 -2.58 -1.58 0.00 -1.26 -4.87 120.51 112.37 1yjk n ALA 273 Ca 0.66 -1.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 1yjk n ALA 273 Cb 0.35 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 1yjk n ALA 273 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1yjk s PHE 274 N -2.04 3.20 0.02 0.00 0.08 -1.26 -4.35 117.98 113.63 1yjk s PHE 274 Ca 0.38 0.39 -0.19 0.00 0.12 0.00 0.00 56.93 57.63 1yjk s PHE 274 Cb -0.02 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.44 1yjk s PHE 274 CO 0.26 -0.49 0.56 0.71 -0.10 0.00 0.00 175.22 176.16 1yjk s TYR 275 N 2.48 3.73 0.46 0.36 2.02 0.64 -4.61 117.35 122.43 1yjk s TYR 275 Ca 0.22 1.19 -0.22 0.00 -0.37 0.00 0.00 57.07 57.88 1yjk s TYR 275 Cb -0.15 -2.53 -0.07 0.00 -0.40 0.00 0.00 41.96 38.81 1yjk s TYR 275 CO 0.12 0.47 1.15 -1.25 -1.57 0.00 0.00 175.55 174.47 1yjk s PRO 276 N -0.63 3.75 -0.26 -1.71 0.04 -1.26 -1.50 135.00 133.43 1yjk s PRO 276 Ca 0.29 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 1yjk s PRO 276 Cb -0.18 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 1yjk s PRO 276 CO 0.17 -0.55 0.53 0.08 0.04 0.00 0.00 177.00 177.28 1yjk s VAL 277 N -1.60 5.05 0.16 -0.36 1.01 -0.71 -4.89 120.40 119.07 1yjk s VAL 277 Ca 0.64 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 63.28 1yjk s VAL 277 Cb -0.27 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1yjk s VAL 277 CO 0.33 0.07 1.58 -0.08 0.00 0.00 0.00 175.10 176.99 1yjk h GLU 278 N 8.01 -0.27 -4.79 2.72 4.81 -1.89 -3.35 114.58 119.82 1yjk h GLU 278 Ca -0.28 0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.34 1yjk h GLU 278 Cb 1.14 0.06 -0.36 0.00 0.63 0.00 0.00 28.75 30.22 1yjk h GLU 278 CO 0.73 -0.18 -0.84 -1.01 -0.73 0.00 0.00 179.01 176.98 1yjk s HIS 279 N -5.90 2.37 0.29 0.92 3.76 -1.26 -5.10 115.29 110.37 1yjk s HIS 279 Ca -0.15 -1.37 -0.27 0.00 -0.15 0.00 0.00 55.06 53.13 1yjk s HIS 279 Cb 0.13 -1.70 -0.14 0.00 1.11 0.00 0.00 32.58 31.97 1yjk s HIS 279 CO 0.66 -0.72 0.83 -2.30 -0.85 0.00 0.00 174.74 172.36 1yjk n PRO 280 N 4.72 0.91 -3.76 8.40 -0.02 -1.26 -4.94 135.00 139.06 1yjk n PRO 280 Ca -0.18 0.32 -0.37 0.00 -2.02 0.00 0.00 63.50 61.25 1yjk n PRO 280 Cb 0.50 -1.60 -0.13 0.00 -0.02 0.00 0.00 33.50 32.26 1yjk n PRO 280 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yjk s VAL 281 N -1.11 4.08 0.11 -1.45 1.01 -0.81 -4.85 120.40 117.37 1yjk s VAL 281 Ca 0.61 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1yjk s VAL 281 Cb -0.74 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1yjk s VAL 281 CO 0.59 0.18 0.96 1.51 0.00 0.00 0.00 175.10 178.34 1yjk s ASP 282 N 1.54 7.49 -0.14 3.32 -4.77 -1.26 -0.96 116.67 121.90 1yjk s ASP 282 Ca 0.04 1.79 0.01 0.00 -3.30 0.00 0.00 52.55 51.09 1yjk s ASP 282 Cb -0.16 -2.59 0.02 0.00 -1.09 0.00 0.00 42.92 39.10 1yjk s ASP 282 CO 0.03 -0.07 -0.14 -0.69 0.70 0.00 0.00 175.17 174.99 1yjk s VAL 283 N 0.03 1.55 0.35 2.11 1.01 0.66 -5.00 120.40 121.10 1yjk s VAL 283 Ca 0.47 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1yjk s VAL 283 Cb -0.23 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1yjk s VAL 283 CO 0.30 0.45 0.07 0.42 0.00 0.00 0.00 175.10 176.34 1yjk s THR 284 N 1.38 1.07 0.08 3.92 -4.23 -1.26 -1.85 115.64 114.74 1yjk s THR 284 Ca 0.02 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.20 1yjk s THR 284 Cb -0.13 -2.69 -0.13 0.00 1.34 0.00 0.00 72.50 70.89 1yjk s THR 284 CO -0.09 0.00 1.69 0.33 -0.54 0.00 0.00 174.62 176.01 1yjk n PHE 285 N -0.75 2.32 0.00 3.99 -0.00 -1.25 -0.77 117.46 121.00 1yjk n PHE 285 Ca -0.03 0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1yjk n PHE 285 Cb 0.66 -2.59 0.00 0.00 -0.00 0.00 0.00 39.48 37.55 1yjk n PHE 285 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yjk n GLY 286 N 3.77 2.17 3.79 7.13 0.00 -0.39 -5.00 105.19 116.67 1yjk n GLY 286 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1yjk n GLY 286 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yjk s ASP 287 N -1.40 5.64 -0.10 1.61 1.01 0.05 -4.83 116.67 118.65 1yjk s ASP 287 Ca 0.00 1.89 -0.02 0.00 0.71 0.00 0.00 52.55 55.13 1yjk s ASP 287 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1yjk s ASP 287 CO 0.00 -1.27 -0.00 -0.63 0.21 0.00 0.00 175.17 173.48 1yjk s ILE 288 N -2.36 4.24 -0.02 0.77 1.01 -0.28 0.25 121.20 124.82 1yjk s ILE 288 Ca 0.65 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.89 1yjk s ILE 288 Cb -0.18 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 1yjk s ILE 288 CO 0.37 0.57 0.42 -0.76 0.00 0.00 0.00 174.94 175.54 1yjk s LEU 289 N -0.56 4.44 -0.02 2.97 1.43 -0.50 0.08 118.68 126.53 1yjk s LEU 289 Ca 0.09 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 1yjk s LEU 289 Cb -0.12 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1yjk s LEU 289 CO 0.02 0.28 -0.06 0.00 0.23 0.00 0.00 176.35 176.82 1yjk s ALA 290 N -0.81 0.61 0.04 4.21 0.00 0.01 -1.83 121.76 123.99 1yjk s ALA 290 Ca 0.24 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1yjk s ALA 290 Cb -0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1yjk s ALA 290 CO 0.13 0.10 -0.08 0.00 0.00 0.00 0.00 175.76 175.90 1yjk s ALA 291 N 0.19 0.64 -0.06 0.00 0.00 0.51 -0.01 121.76 123.04 1yjk s ALA 291 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1yjk s ALA 291 Cb -0.07 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1yjk s ALA 291 CO -0.00 0.02 -0.03 0.50 0.00 0.00 0.00 175.76 176.25 1yjk s ARG 292 N -1.44 0.83 -0.14 0.00 3.52 -0.57 -0.77 118.95 120.38 1yjk s ARG 292 Ca -0.08 -0.05 -0.06 0.00 -0.13 0.00 0.00 55.73 55.41 1yjk s ARG 292 Cb -0.09 -0.96 -0.04 0.00 -1.56 0.00 0.00 34.95 32.30 1yjk s ARG 292 CO 0.01 -0.17 0.08 0.00 -0.81 0.00 0.00 175.30 174.41 1yjk s VAL 294 N -0.37 3.55 0.23 0.00 1.01 0.65 -0.54 120.40 124.92 1yjk s VAL 294 Ca 0.10 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 61.72 1yjk s VAL 294 Cb -0.12 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1yjk s VAL 294 CO 0.02 0.48 -0.20 -0.36 0.00 0.00 0.00 175.10 175.04 1yjk s PHE 295 N 0.70 2.35 0.12 5.22 0.08 0.13 0.16 117.98 126.75 1yjk s PHE 295 Ca -0.03 -0.33 0.10 0.00 0.12 0.00 0.00 56.93 56.79 1yjk s PHE 295 Cb -0.15 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 1yjk s PHE 295 CO 0.02 0.60 -0.23 -0.08 -0.10 0.00 0.00 175.22 175.43 1yjk s THR 296 N -2.05 2.51 -0.57 0.64 -1.32 -0.17 -0.48 115.64 114.20 1yjk s THR 296 Ca 0.25 -1.64 0.05 0.00 -1.21 0.00 0.00 61.69 59.15 1yjk s THR 296 Cb -0.07 -2.13 0.08 0.00 -1.51 0.00 0.00 72.50 68.87 1yjk s THR 296 CO 0.13 0.10 0.82 0.61 -2.21 0.00 0.00 174.62 174.07 1yjk n GLY 297 N 0.89 0.35 3.68 6.08 0.00 0.11 -4.77 105.19 111.53 1yjk n GLY 297 Ca -0.17 -0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 1yjk n GLY 297 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yjk n GLU 298 N 0.18 2.35 -0.89 1.61 1.02 -1.23 0.03 120.64 123.71 1yjk n GLU 298 Ca 0.04 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1yjk n GLU 298 Cb 0.20 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 1yjk n GLU 298 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yjk n GLY 299 N 3.87 0.86 3.93 0.62 0.00 -1.26 -4.86 105.19 108.35 1yjk n GLY 299 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1yjk n GLY 299 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yjk s ARG 300 N -0.11 2.92 -0.02 1.61 6.06 -0.46 -4.99 118.95 123.96 1yjk s ARG 300 Ca 0.00 -0.12 0.02 0.00 -2.50 0.00 0.00 55.73 53.13 1yjk s ARG 300 Cb 0.00 -2.33 0.03 0.00 0.06 0.00 0.00 34.95 32.72 1yjk s ARG 300 CO 0.00 -0.63 0.80 0.25 -2.50 0.00 0.00 175.30 173.22 1yjk n THR 301 N -2.49 0.46 -3.55 4.11 -2.24 -1.26 -3.94 114.28 105.36 1yjk n THR 301 Ca 0.04 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.25 1yjk n THR 301 Cb 0.58 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1yjk n THR 301 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1yjk s GLU 302 N -0.57 0.92 0.48 -0.78 8.01 -1.26 -4.99 118.70 120.50 1yjk s GLU 302 Ca 0.04 -0.38 -0.24 0.00 0.01 0.00 0.00 54.97 54.40 1yjk s GLU 302 Cb 0.03 0.39 -0.08 0.00 -4.31 0.00 0.00 34.13 30.17 1yjk s GLU 302 CO 0.00 -0.41 1.32 0.00 0.01 0.00 0.00 175.26 176.19 1yjk n ALA 303 N -0.30 1.50 -4.05 5.21 0.00 -1.26 -4.09 120.51 117.53 1yjk n ALA 303 Ca -0.09 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 1yjk n ALA 303 Cb 0.62 -2.32 -0.16 0.00 0.00 0.00 0.00 19.45 17.59 1yjk n ALA 303 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1yjk s THR 304 N -1.25 1.85 0.08 0.00 2.01 -0.82 -4.91 115.64 112.61 1yjk s THR 304 Ca 0.65 -1.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 1yjk s THR 304 Cb -0.46 -1.83 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 1yjk s THR 304 CO 0.54 0.28 0.82 -1.00 -0.69 0.00 0.00 174.62 174.58 1yjk s HIS 305 N 1.32 3.78 -0.36 4.92 3.76 -1.26 -1.42 115.29 126.03 1yjk s HIS 305 Ca 0.00 1.59 -0.13 0.00 -0.15 0.00 0.00 55.06 56.37 1yjk s HIS 305 Cb -0.15 -2.88 0.00 0.00 1.11 0.00 0.00 32.58 30.66 1yjk s HIS 305 CO -0.09 0.28 0.24 0.42 -0.85 0.00 0.00 174.74 174.74 1yjk s ILE 306 N -0.18 5.05 0.00 0.60 1.01 -0.41 -1.64 121.20 125.64 1yjk s ILE 306 Ca 0.40 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1yjk s ILE 306 Cb -0.22 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1yjk s ILE 306 CO 0.25 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1yjk n GLY 307 N 5.09 1.03 0.00 6.18 0.00 -0.51 -3.82 105.19 113.16 1yjk n GLY 307 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1yjk n GLY 307 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yjk n SER 311 N 0.17 0.00 0.16 1.61 3.41 -1.26 -4.98 113.62 112.73 1yjk n SER 311 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1yjk n SER 311 Cb 0.06 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.27 1yjk n SER 311 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1yjk h ASP 312 N 0.00 0.00 -1.97 4.04 3.32 -1.93 -3.46 116.42 116.41 1yjk h ASP 312 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1yjk h ASP 312 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1yjk h ASP 312 CO 0.00 0.49 -0.63 -1.61 -1.72 0.00 0.00 179.24 175.78 1yjk s GLU 313 N -3.80 1.86 -0.05 3.56 0.41 -0.65 -4.79 118.70 115.24 1yjk s GLU 313 Ca -0.02 -2.02 -0.17 0.00 -0.41 0.00 0.00 54.97 52.35 1yjk s GLU 313 Cb 0.13 -1.55 0.03 0.00 -1.78 0.00 0.00 34.13 30.96 1yjk s GLU 313 CO 0.74 -0.01 0.39 -1.64 -0.49 0.00 0.00 175.26 174.25 1yjk s MET 314 N -3.70 0.68 -0.30 1.61 -1.94 -1.26 -1.43 119.30 112.96 1yjk s MET 314 Ca 0.34 0.05 -0.01 0.00 -1.71 0.00 0.00 55.69 54.36 1yjk s MET 314 Cb 0.07 0.31 0.10 0.00 2.01 0.00 0.00 34.83 37.32 1yjk s MET 314 CO 0.17 -0.18 0.08 0.00 -0.01 0.00 0.00 175.02 175.09 1yjk s ASN 316 N 1.58 3.04 -0.14 0.00 -0.87 -0.10 -1.24 114.94 117.21 1yjk s ASN 316 Ca 0.08 -0.56 0.01 0.00 -1.57 0.00 0.00 52.86 50.82 1yjk s ASN 316 Cb -0.17 -1.40 0.02 0.00 -0.02 0.00 0.00 41.25 39.68 1yjk s ASN 316 CO -0.22 0.12 -0.18 -0.22 -2.57 0.00 0.00 177.10 174.03 1yjk s LEU 317 N 0.54 1.92 -0.38 0.60 2.96 0.47 -0.97 118.68 123.81 1yjk s LEU 317 Ca -0.14 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.09 1yjk s LEU 317 Cb -0.17 -1.30 0.01 0.00 0.50 0.00 0.00 46.19 45.23 1yjk s LEU 317 CO 0.05 0.01 0.26 -0.31 -1.32 0.00 0.00 176.35 175.04 1yjk s TYR 318 N 1.12 3.24 -0.38 5.38 1.51 0.39 -0.77 117.35 127.83 1yjk s TYR 318 Ca -0.01 -0.61 -0.11 0.00 -1.01 0.00 0.00 57.07 55.32 1yjk s TYR 318 Cb -0.14 -2.52 0.03 0.00 -0.11 0.00 0.00 41.96 39.21 1yjk s TYR 318 CO -0.06 -0.56 0.21 0.42 -1.11 0.00 0.00 175.55 174.45 1yjk s ILE 319 N 1.65 4.60 -0.14 2.71 1.01 0.89 -1.73 121.20 130.19 1yjk s ILE 319 Ca 0.04 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 1yjk s ILE 319 Cb -0.19 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1yjk s ILE 319 CO 0.09 -0.25 0.53 -0.32 0.00 0.00 0.00 174.94 175.00 1yjk s MET 320 N 1.56 4.31 0.19 2.79 1.75 -0.27 -0.47 119.30 129.16 1yjk s MET 320 Ca 0.02 0.52 0.03 0.00 -1.25 0.00 0.00 55.69 55.01 1yjk s MET 320 Cb -0.19 -3.48 -0.05 0.00 2.84 0.00 0.00 34.83 33.95 1yjk s MET 320 CO 0.07 0.04 -0.01 1.52 -0.65 0.00 0.00 175.02 175.99 1yjk s TYR 321 N 0.98 1.33 0.18 4.11 -0.85 -0.51 -1.19 117.35 121.40 1yjk s TYR 321 Ca 0.27 -0.96 0.11 0.00 -0.52 0.00 0.00 57.07 55.98 1yjk s TYR 321 Cb -0.16 -0.75 -0.04 0.00 0.38 0.00 0.00 41.96 41.39 1yjk s TYR 321 CO 0.11 -0.12 -0.21 1.52 -1.52 0.00 0.00 175.55 175.33 1yjk s TYR 322 N -3.54 2.39 0.05 -3.49 -0.85 0.05 -0.55 117.35 111.42 1yjk s TYR 322 Ca 0.24 -0.32 0.04 0.00 -0.52 0.00 0.00 57.07 56.51 1yjk s TYR 322 Cb 0.05 -1.19 -0.03 0.00 0.38 0.00 0.00 41.96 41.18 1yjk s TYR 322 CO 0.05 0.49 -0.11 -1.64 -1.52 0.00 0.00 175.55 172.82 1yjk s MET 323 N -2.65 0.66 0.22 -3.49 -1.94 -0.66 -0.19 119.30 111.25 1yjk s MET 323 Ca 0.21 -0.82 -0.32 0.00 -1.71 0.00 0.00 55.69 53.05 1yjk s MET 323 Cb -0.08 -0.55 -0.14 0.00 2.01 0.00 0.00 34.83 36.07 1yjk s MET 323 CO 0.11 0.11 1.33 -1.91 -0.01 0.00 0.00 175.02 174.66 1yjk n GLU 324 N 1.45 1.78 -0.36 2.03 2.13 -1.26 -0.44 120.64 125.97 1yjk n GLU 324 Ca -0.22 0.63 0.03 0.00 0.66 0.00 0.00 57.16 58.27 1yjk n GLU 324 Cb 0.54 -2.24 0.19 0.00 0.27 0.00 0.00 31.44 30.20 1yjk n GLU 324 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yjk h ALA 325 N 3.94 1.42 0.00 4.31 0.00 -1.24 -1.55 119.26 126.14 1yjk h ALA 325 Ca -0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1yjk h ALA 325 Cb 1.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1yjk h ALA 325 CO 0.74 0.43 -0.10 1.57 0.00 0.00 0.00 179.25 181.89 1yjk h LYS 326 N 1.16 0.00 -0.06 0.00 2.10 -1.89 -2.74 116.57 115.14 1yjk h LYS 326 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1yjk h LYS 326 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1yjk h LYS 326 CO -0.17 0.10 0.00 0.66 -2.00 0.00 0.00 179.45 178.04 1yjk n TYR 327 N -3.26 0.05 -2.29 0.07 4.01 -0.64 -5.07 117.16 110.03 1yjk n TYR 327 Ca 0.00 -0.03 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 1yjk n TYR 327 Cb 0.34 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.35 1yjk n TYR 327 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yjk s ALA 328 N -1.54 3.13 -0.06 -0.72 0.00 -0.85 -4.79 121.76 116.94 1yjk s ALA 328 Ca 0.23 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.20 1yjk s ALA 328 Cb 0.16 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1yjk s ALA 328 CO 0.24 -0.54 -0.21 -0.51 0.00 0.00 0.00 175.76 174.74 1yjk s LEU 329 N -2.55 2.32 0.44 0.00 2.01 -1.26 -5.06 118.68 114.58 1yjk s LEU 329 Ca 0.58 -0.41 0.25 0.00 0.01 0.00 0.00 54.13 54.56 1yjk s LEU 329 Cb -0.30 -1.45 0.85 0.00 0.01 0.00 0.00 46.19 45.29 1yjk s LEU 329 CO 0.38 0.26 1.79 0.28 1.01 0.00 0.00 176.35 180.07 1yjk h SER 330 N 5.97 0.00 -3.64 2.29 0.02 -1.95 -3.43 113.55 112.80 1yjk h SER 330 Ca -0.35 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.47 1yjk h SER 330 Cb 1.17 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.46 1yjk h SER 330 CO 0.49 0.19 -0.28 0.12 -1.14 0.00 0.00 176.83 176.21 1yjk s PHE 331 N -3.53 -0.48 0.06 3.45 5.36 -1.26 -1.91 117.98 119.67 1yjk s PHE 331 Ca 0.02 1.10 0.01 0.00 -0.96 0.00 0.00 56.93 57.10 1yjk s PHE 331 Cb 0.09 0.18 -0.03 0.00 -0.34 0.00 0.00 43.02 42.92 1yjk s PHE 331 CO 0.63 -0.25 -0.05 -1.64 -1.46 0.00 0.00 175.22 172.46 1yjk s MET 332 N 0.63 0.60 0.02 10.12 -1.94 0.15 -4.96 119.30 123.91 1yjk s MET 332 Ca -0.03 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 52.91 1yjk s MET 332 Cb -0.05 -0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.75 1yjk s MET 332 CO -0.04 -0.04 -0.03 -0.08 -0.01 0.00 0.00 175.02 174.82 1yjk s THR 333 N -2.84 0.16 -0.11 2.05 -1.32 -1.26 -0.64 115.64 111.68 1yjk s THR 333 Ca 0.00 -0.64 0.03 0.00 -1.21 0.00 0.00 61.69 59.87 1yjk s THR 333 Cb 0.00 -0.25 0.01 0.00 -1.51 0.00 0.00 72.50 70.75 1yjk s THR 333 CO -0.05 -0.31 -0.19 0.00 -2.21 0.00 0.00 174.62 171.87 1yjk n THR 335 N 3.95 1.26 -4.59 0.00 -2.24 -1.26 -0.76 114.28 110.64 1yjk n THR 335 Ca -0.20 -1.43 -0.28 0.00 -2.27 0.00 0.00 64.05 59.87 1yjk n THR 335 Cb 0.52 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 1yjk n THR 335 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1yjk s LYS 336 N -1.71 2.01 -0.47 -0.78 -2.85 -1.26 -4.50 119.74 110.18 1yjk s LYS 336 Ca 0.14 -2.24 0.03 0.00 -1.00 0.00 0.00 55.97 52.90 1yjk s LYS 336 Cb 0.13 -0.90 0.13 0.00 -2.06 0.00 0.00 37.83 35.13 1yjk s LYS 336 CO 0.01 -0.44 0.25 1.21 0.10 0.00 0.00 175.35 176.48 1yjk s ASN 337 N -3.69 3.91 0.15 0.03 2.47 -1.25 -0.48 114.94 116.09 1yjk s ASN 337 Ca 0.19 -2.79 0.02 0.00 0.42 0.00 0.00 52.86 50.69 1yjk s ASN 337 Cb 0.02 -1.27 -0.05 0.00 -1.45 0.00 0.00 41.25 38.50 1yjk s ASN 337 CO 0.11 -0.25 1.34 1.62 -3.72 0.00 0.00 177.10 176.20 1yjk h VAL 338 N 5.34 1.50 -2.20 -5.21 3.04 -1.57 -3.38 116.25 113.78 1yjk h VAL 338 Ca -0.04 -2.70 -0.57 0.00 -1.01 0.00 0.00 66.70 62.38 1yjk h VAL 338 Cb 0.91 2.53 -0.41 0.00 -2.01 0.00 0.00 31.29 32.31 1yjk h VAL 338 CO 0.57 0.79 -0.75 0.00 -1.01 0.00 0.00 177.57 177.16 1yjk n ALA 339 N -2.47 3.96 -0.36 3.17 0.00 -1.26 -4.96 120.51 118.59 1yjk n ALA 339 Ca -0.04 -4.43 0.06 0.00 0.00 0.00 0.00 53.44 49.03 1yjk n ALA 339 Cb 0.84 -0.81 0.22 0.00 0.00 0.00 0.00 19.45 19.70 1yjk n ALA 339 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1yjk h PRO 340 N 3.35 1.02 0.00 0.00 0.13 -1.97 -1.33 132.00 133.20 1yjk h PRO 340 Ca 0.14 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1yjk h PRO 340 Cb 0.64 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 1yjk h PRO 340 CO 0.75 0.67 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.75 1yjk h ASP 341 N 1.05 0.00 -0.51 1.44 3.32 -1.96 -1.24 116.42 118.52 1yjk h ASP 341 Ca 0.48 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.62 1yjk h ASP 341 Cb 0.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1yjk h ASP 341 CO -0.24 0.01 0.35 -0.03 -1.72 0.00 0.00 179.24 177.61 1yjk h MET 342 N 0.00 0.27 0.00 3.56 4.05 -1.67 -2.54 114.93 118.60 1yjk h MET 342 Ca -0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1yjk h MET 342 Cb 0.02 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1yjk h MET 342 CO 0.00 0.18 0.00 1.19 0.23 0.00 0.00 176.91 178.51 1yjk n PHE 343 N -4.46 0.77 0.12 1.39 3.01 -0.47 -2.28 117.46 115.53 1yjk n PHE 343 Ca 0.08 0.29 0.06 0.00 1.01 0.00 0.00 57.45 58.89 1yjk n PHE 343 Cb 0.38 -0.97 0.52 0.00 -0.01 0.00 0.00 39.48 39.40 1yjk n PHE 343 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yjk h ARG 344 N 0.00 0.29 -0.39 -1.08 3.08 -1.62 -3.04 114.38 111.63 1yjk h ARG 344 Ca 0.00 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1yjk h ARG 344 Cb 0.41 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 1yjk h ARG 344 CO 0.00 0.20 0.03 0.25 -1.07 0.00 0.00 179.97 179.39 1yjk n THR 345 N -4.50 2.52 -1.67 2.04 -2.24 -0.97 -5.00 114.28 104.46 1yjk n THR 345 Ca 0.00 -2.23 -0.42 0.00 -2.27 0.00 0.00 64.05 59.14 1yjk n THR 345 Cb 0.08 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.01 1yjk n THR 345 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yjk n ILE 346 N -0.79 2.41 -1.60 2.28 3.06 -1.15 -4.95 119.36 118.62 1yjk n ILE 346 Ca 0.31 -0.50 -0.47 0.00 -2.50 0.00 0.00 62.75 59.59 1yjk n ILE 346 Cb 1.05 -1.41 -0.03 0.00 0.54 0.00 0.00 39.64 39.78 1yjk n ILE 346 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1yjk n PRO 347 N 0.19 1.42 0.00 9.51 -0.02 -1.26 -4.86 135.00 139.98 1yjk n PRO 347 Ca 0.07 0.50 0.20 0.00 -2.02 0.00 0.00 63.50 62.25 1yjk n PRO 347 Cb 0.38 -2.00 0.69 0.00 -0.02 0.00 0.00 33.50 32.55 1yjk n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yjk h ALA 348 N 3.13 2.48 -0.99 3.55 0.00 -1.99 -1.42 119.26 124.02 1yjk h ALA 348 Ca -0.43 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.69 1yjk h ALA 348 Cb 1.33 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 1yjk h ALA 348 CO 0.68 -0.63 0.63 0.93 0.00 0.00 0.00 179.25 180.86 1yjk h GLU 349 N 0.01 0.50 -0.03 0.00 5.08 -1.97 -1.62 114.58 116.55 1yjk h GLU 349 Ca 0.25 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1yjk h GLU 349 Cb 0.98 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1yjk h GLU 349 CO -0.00 0.33 0.09 0.00 -1.00 0.00 0.00 179.01 178.42 1yjk h ALA 350 N 1.63 1.26 -0.02 3.43 0.00 -1.62 -2.41 119.26 121.53 1yjk h ALA 350 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1yjk h ALA 350 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1yjk h ALA 350 CO -0.29 -0.10 -0.24 0.09 0.00 0.00 0.00 179.25 178.71 1yjk n ASN 351 N -3.27 2.18 -4.70 0.00 3.02 -0.61 -4.88 115.26 107.01 1yjk n ASN 351 Ca -0.02 -1.59 -0.42 0.00 -0.03 0.00 0.00 54.58 52.52 1yjk n ASN 351 Cb 0.16 0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 1yjk n ASN 351 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1yjk s ILE 352 N -1.99 4.88 0.81 2.41 1.01 -0.91 -5.04 121.20 122.38 1yjk s ILE 352 Ca 0.19 1.86 -0.11 0.00 0.00 0.00 0.00 60.65 62.59 1yjk s ILE 352 Cb 0.16 -4.23 0.08 0.00 0.01 0.00 0.00 42.46 38.48 1yjk s ILE 352 CO 0.39 0.11 1.09 -2.84 0.00 0.00 0.00 174.94 173.70 1yjk s PRO 353 N 1.45 1.91 -0.02 2.79 0.02 -1.26 -5.00 135.00 134.89 1yjk s PRO 353 Ca 0.46 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1yjk s PRO 353 Cb -0.19 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.49 1yjk s PRO 353 CO 0.20 -1.87 -0.00 0.42 -0.33 0.00 0.00 177.00 175.42 1yjk s ILE 354 N -2.89 0.17 -1.32 2.83 1.01 -1.26 -5.10 121.20 114.64 1yjk s ILE 354 Ca 0.62 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1yjk s ILE 354 Cb -0.18 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1yjk s ILE 354 CO 0.56 0.13 0.33 -0.81 0.00 0.00 0.00 174.94 175.15