#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2arj s VAL 2 N 0.00 3.65 -0.14 5.09 1.01 -1.26 -3.71 120.40 125.05 2arj s VAL 2 Ca 0.00 0.96 -0.22 0.00 0.00 0.00 0.00 61.98 62.73 2arj s VAL 2 Cb 0.00 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2arj s VAL 2 CO 0.00 -0.03 0.55 -1.10 0.00 0.00 0.00 175.10 174.52 2arj s GLN 3 N 2.98 0.76 0.00 2.72 -0.21 0.34 -4.99 119.66 121.27 2arj s GLN 3 Ca 0.67 0.51 0.02 0.00 0.02 0.00 0.00 55.36 56.57 2arj s GLN 3 Cb -0.32 0.36 -0.01 0.00 1.00 0.00 0.00 33.01 34.04 2arj s GLN 3 CO 0.27 -0.16 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.70 2arj s LEU 4 N -0.32 2.06 -0.08 2.90 2.01 -1.26 -0.38 118.68 123.61 2arj s LEU 4 Ca -0.05 -0.20 -0.00 0.00 0.01 0.00 0.00 54.13 53.89 2arj s LEU 4 Cb -0.03 -0.32 0.02 0.00 0.01 0.00 0.00 46.19 45.87 2arj s LEU 4 CO 0.04 0.03 -0.05 -0.54 1.01 0.00 0.00 176.35 176.84 2arj s LYS 5 N -0.43 1.08 0.00 1.70 1.02 -0.04 -4.15 119.74 118.92 2arj s LYS 5 Ca 0.00 -0.11 -0.21 0.00 0.02 0.00 0.00 55.97 55.67 2arj s LYS 5 Cb -0.04 -1.21 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 2arj s LYS 5 CO -0.00 -0.22 0.63 -1.21 -0.92 0.00 0.00 175.35 173.63 2arj s GLU 6 N 1.56 4.36 0.02 1.68 8.01 -1.26 -1.87 118.70 131.20 2arj s GLU 6 Ca 0.00 0.80 -0.00 0.00 0.01 0.00 0.00 54.97 55.78 2arj s GLU 6 Cb -0.13 -3.35 -0.02 0.00 -4.31 0.00 0.00 34.13 26.32 2arj s GLU 6 CO -0.05 0.34 -0.03 0.45 0.01 0.00 0.00 175.26 175.98 2arj s SER 7 N -0.12 0.30 0.00 -0.19 0.15 0.11 -4.69 113.70 109.27 2arj s SER 7 Ca 0.33 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2arj s SER 7 Cb -0.19 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2arj s SER 7 CO 0.18 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2arj n GLY 8 N 1.40 2.69 3.63 9.45 0.00 -1.26 -0.11 105.19 120.99 2arj n GLY 8 Ca -0.23 -0.87 -0.49 0.00 0.00 0.00 0.00 46.02 44.43 2arj n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2arj n PRO 9 N -0.85 1.59 0.00 1.61 -0.02 -1.26 -4.85 135.00 131.22 2arj n PRO 9 Ca 0.00 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 2arj n PRO 9 Cb 0.00 -2.28 0.57 0.00 -0.02 0.00 0.00 33.50 31.78 2arj n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2arj n GLY 10 N 2.96 -0.55 2.84 -1.23 0.00 -1.26 -4.72 105.19 103.22 2arj n GLY 10 Ca 0.18 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2arj n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2arj s LEU 11 N -2.26 1.02 -0.08 0.99 2.96 -1.26 -0.98 118.68 119.07 2arj s LEU 11 Ca 0.33 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 2arj s LEU 11 Cb 0.20 -0.46 -0.00 0.00 0.50 0.00 0.00 46.19 46.43 2arj s LEU 11 CO 0.42 -0.11 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.41 2arj s VAL 12 N 1.38 2.00 0.19 1.68 1.01 0.36 -4.97 120.40 122.05 2arj s VAL 12 Ca -0.04 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 2arj s VAL 12 Cb -0.13 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 2arj s VAL 12 CO -0.03 0.55 1.17 -1.58 0.00 0.00 0.00 175.10 175.22 2arj s GLN 13 N 0.19 4.52 0.66 2.72 2.00 -1.26 -1.92 119.66 126.57 2arj s GLN 13 Ca -0.14 1.85 -0.17 0.00 -2.00 0.00 0.00 55.36 54.90 2arj s GLN 13 Cb -0.16 -3.24 -0.07 0.00 0.80 0.00 0.00 33.01 30.34 2arj s GLN 13 CO 0.07 -0.03 0.48 -2.30 -0.50 0.00 0.00 175.29 173.00 2arj n PRO 14 N 2.33 0.38 0.00 1.67 -0.02 -1.26 -2.10 135.00 136.00 2arj n PRO 14 Ca 0.03 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2arj n PRO 14 Cb 0.45 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2arj n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2arj n SER 15 N 0.22 0.00 -4.12 2.55 3.41 -0.29 -4.87 113.62 110.52 2arj n SER 15 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 2arj n SER 15 Cb 0.49 -0.41 0.20 0.00 -0.26 0.00 0.00 64.21 64.23 2arj n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2arj s GLN 16 N 0.00 -0.23 -0.16 4.33 -1.52 -0.89 -3.49 119.66 117.71 2arj s GLN 16 Ca 0.00 -0.07 -0.05 0.00 -1.95 0.00 0.00 55.36 53.29 2arj s GLN 16 Cb 0.00 -1.71 -0.03 0.00 -0.22 0.00 0.00 33.01 31.04 2arj s GLN 16 CO 0.00 -3.05 0.00 0.95 -0.25 0.00 0.00 175.29 172.94 2arj s THR 17 N -3.29 4.24 0.22 -0.19 -4.23 -1.26 -2.06 115.64 109.06 2arj s THR 17 Ca 0.70 -0.23 -0.30 0.00 -1.18 0.00 0.00 61.69 60.68 2arj s THR 17 Cb -0.09 -2.87 -0.08 0.00 1.34 0.00 0.00 72.50 70.79 2arj s THR 17 CO 0.55 0.49 1.10 -0.22 -0.54 0.00 0.00 174.62 176.00 2arj s LEU 18 N 0.28 4.51 -0.16 4.79 2.96 0.53 -4.86 118.68 126.74 2arj s LEU 18 Ca -0.01 2.16 -0.01 0.00 -0.22 0.00 0.00 54.13 56.06 2arj s LEU 18 Cb -0.13 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.98 2arj s LEU 18 CO 0.02 -0.20 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.37 2arj s SER 19 N -0.38 2.69 0.15 3.68 0.01 -1.26 -0.91 113.70 117.67 2arj s SER 19 Ca 0.48 -0.60 0.11 0.00 1.31 0.00 0.00 55.95 57.24 2arj s SER 19 Cb -0.30 -0.85 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 2arj s SER 19 CO 0.37 -0.19 -0.25 -0.76 0.41 0.00 0.00 173.24 172.83 2arj s LEU 20 N 1.68 2.36 0.02 2.44 1.43 -0.03 -4.25 118.68 122.32 2arj s LEU 20 Ca 0.01 -0.78 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 2arj s LEU 20 Cb -0.15 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2arj s LEU 20 CO -0.08 0.13 -0.22 -0.89 0.23 0.00 0.00 176.35 175.53 2arj s THR 21 N -1.32 2.49 -0.21 5.49 2.01 0.85 -0.61 115.64 124.33 2arj s THR 21 Ca 0.15 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 61.00 2arj s THR 21 Cb -0.09 -1.98 0.05 0.00 0.01 0.00 0.00 72.50 70.49 2arj s THR 21 CO 0.07 0.43 -0.08 0.00 -0.69 0.00 0.00 174.62 174.35 2arj s THR 23 N 1.39 5.18 0.08 0.00 2.01 -0.78 -1.54 115.64 121.98 2arj s THR 23 Ca -0.03 0.67 0.09 0.00 0.31 0.00 0.00 61.69 62.73 2arj s THR 23 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2arj s THR 23 CO -0.07 0.54 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.47 2arj s VAL 24 N -0.71 2.44 -0.04 3.82 1.01 -0.69 -0.86 120.40 125.37 2arj s VAL 24 Ca 0.21 -1.49 -0.11 0.00 0.00 0.00 0.00 61.98 60.59 2arj s VAL 24 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2arj s VAL 24 CO 0.10 0.22 0.26 -0.94 0.00 0.00 0.00 175.10 174.74 2arj s SER 25 N -1.71 -0.17 0.00 3.32 1.04 0.48 -4.88 113.70 111.79 2arj s SER 25 Ca 0.14 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2arj s SER 25 Cb -0.10 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2arj s SER 25 CO 0.05 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2arj n GLY 26 N 1.84 0.74 3.61 7.32 0.00 -1.24 -0.50 105.19 116.96 2arj n GLY 26 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 2arj n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2arj s PHE 27 N -2.00 -0.30 0.00 1.61 -0.12 -1.26 -4.59 117.98 111.32 2arj s PHE 27 Ca 0.00 0.05 -0.11 0.00 -0.05 0.00 0.00 56.93 56.82 2arj s PHE 27 Cb 0.00 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.94 2arj s PHE 27 CO 0.00 -0.80 0.34 -1.54 -0.05 0.00 0.00 175.22 173.17 2arj s SER 28 N -2.74 6.65 0.51 1.98 1.04 -1.26 -4.96 113.70 114.92 2arj s SER 28 Ca 0.07 0.78 0.29 0.00 0.48 0.00 0.00 55.95 57.57 2arj s SER 28 Cb -0.02 -2.18 1.32 0.00 0.10 0.00 0.00 66.02 65.24 2arj s SER 28 CO -0.04 0.29 1.99 -0.07 0.98 0.00 0.00 173.24 176.39 2arj h LEU 29 N 4.39 0.00 -1.19 2.42 -0.00 -1.93 -3.08 115.31 115.92 2arj h LEU 29 Ca -0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.31 2arj h LEU 29 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 2arj h LEU 29 CO 0.63 0.13 -0.27 0.74 -0.00 0.00 0.00 178.44 179.66 2arj h THR 30 N 0.00 0.72 0.00 0.22 2.02 -1.92 -3.26 112.91 110.69 2arj h THR 30 Ca -0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2arj h THR 30 Cb 0.49 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2arj h THR 30 CO 0.02 0.27 0.00 -1.20 0.37 0.00 0.00 175.52 174.97 2arj n SER 31 N -3.52 0.03 -4.11 4.18 7.64 -1.24 -4.29 113.62 112.31 2arj n SER 31 Ca -0.00 -0.50 -0.24 0.00 1.01 0.00 0.00 58.87 59.13 2arj n SER 31 Cb 0.43 0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 64.51 2arj n SER 31 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2arj n ASN 32 N -0.92 2.96 -4.26 6.43 3.02 -1.16 -4.70 115.26 116.63 2arj n ASN 32 Ca 0.00 -2.69 -0.21 0.00 -0.03 0.00 0.00 54.58 51.66 2arj n ASN 32 Cb 0.00 0.22 -0.12 0.00 -0.61 0.00 0.00 39.78 39.27 2arj n ASN 32 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2arj s SER 33 N -3.24 2.23 -0.06 6.41 1.04 -1.01 -2.01 113.70 117.06 2arj s SER 33 Ca 0.05 -0.74 0.05 0.00 0.48 0.00 0.00 55.95 55.79 2arj s SER 33 Cb -0.00 -0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 2arj s SER 33 CO 0.03 -0.04 -0.21 -0.69 0.98 0.00 0.00 173.24 173.31 2arj s VAL 34 N -1.61 1.77 0.11 5.02 1.01 -0.83 -0.60 120.40 125.28 2arj s VAL 34 Ca 0.07 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.24 2arj s VAL 34 Cb -0.08 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2arj s VAL 34 CO 0.04 0.50 -0.21 -1.00 0.00 0.00 0.00 175.10 174.43 2arj s HIS 35 N 0.09 1.81 -0.22 5.22 3.76 -0.67 -1.54 115.29 123.74 2arj s HIS 35 Ca -0.08 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.34 2arj s HIS 35 Cb -0.14 -0.98 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 2arj s HIS 35 CO 0.04 0.22 0.05 -1.58 -0.85 0.00 0.00 174.74 172.63 2arj s TRP 36 N -1.25 3.13 -0.05 1.40 0.52 -0.28 -0.83 118.94 121.58 2arj s TRP 36 Ca 0.08 -0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.00 2arj s TRP 36 Cb -0.10 -2.15 -0.02 0.00 -1.15 0.00 0.00 33.47 30.05 2arj s TRP 36 CO 0.05 -0.15 -0.19 0.08 0.02 0.00 0.00 176.95 176.76 2arj s VAL 37 N 1.06 2.67 0.30 4.03 1.01 0.51 -0.86 120.40 129.13 2arj s VAL 37 Ca 0.04 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.23 2arj s VAL 37 Cb -0.14 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.16 2arj s VAL 37 CO 0.03 0.58 -0.07 0.00 0.00 0.00 0.00 175.10 175.64 2arj s ARG 38 N -0.56 1.64 -0.30 2.72 1.70 -0.52 0.92 118.95 124.55 2arj s ARG 38 Ca 0.08 -1.84 0.03 0.00 -0.47 0.00 0.00 55.73 53.53 2arj s ARG 38 Cb -0.11 -1.35 0.17 0.00 -0.57 0.00 0.00 34.95 33.09 2arj s ARG 38 CO 0.01 0.08 0.44 -1.14 -1.08 0.00 0.00 175.30 173.61 2arj s GLN 39 N -3.68 0.46 0.59 3.89 0.74 0.48 -1.01 119.66 121.13 2arj s GLN 39 Ca 0.31 0.14 -0.19 0.00 0.05 0.00 0.00 55.36 55.66 2arj s GLN 39 Cb 0.03 -0.22 -0.03 0.00 1.10 0.00 0.00 33.01 33.89 2arj s GLN 39 CO 0.13 -1.05 1.26 -2.14 -0.55 0.00 0.00 175.29 172.94 2arj s PRO 40 N 2.52 2.92 -0.03 1.67 0.02 -1.26 -1.68 135.00 139.16 2arj s PRO 40 Ca 0.10 1.98 -0.35 0.00 0.02 0.00 0.00 61.00 62.74 2arj s PRO 40 Cb -0.12 -1.99 -0.13 0.00 0.02 0.00 0.00 34.50 32.27 2arj s PRO 40 CO -0.28 -1.28 1.72 -2.30 -0.33 0.00 0.00 177.00 174.53 2arj n PRO 41 N -1.51 1.90 -0.62 5.54 -0.02 -1.26 -0.40 135.00 138.63 2arj n PRO 41 Ca 0.13 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2arj n PRO 41 Cb 0.48 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2arj n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2arj n GLY 42 N 3.91 1.62 3.83 -1.23 0.00 -1.26 -5.00 105.19 107.05 2arj n GLY 42 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2arj n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2arj s LYS 43 N -0.04 2.48 0.99 1.61 -0.14 0.47 -5.13 119.74 119.98 2arj s LYS 43 Ca 0.00 -1.55 -0.16 0.00 -1.36 0.00 0.00 55.97 52.90 2arj s LYS 43 Cb 0.00 -2.29 0.20 0.00 -1.68 0.00 0.00 37.83 34.06 2arj s LYS 43 CO 0.00 -0.09 1.27 0.20 -0.76 0.00 0.00 175.35 175.97 2arj s GLY 44 N -4.02 1.72 0.50 -3.33 0.00 -1.26 -4.55 107.32 96.39 2arj s GLY 44 Ca 0.44 -1.08 -0.20 0.00 0.00 0.00 0.00 44.72 43.88 2arj s GLY 44 CO 0.26 -0.33 1.04 1.08 0.00 0.00 0.00 173.10 175.16 2arj s LEU 45 N -6.05 3.79 -0.13 0.66 1.43 -1.26 -4.29 118.68 112.83 2arj s LEU 45 Ca 0.72 1.92 -0.04 0.00 -1.03 0.00 0.00 54.13 55.70 2arj s LEU 45 Cb -0.06 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.66 2arj s LEU 45 CO 0.53 -0.85 0.12 -0.70 0.23 0.00 0.00 176.35 175.69 2arj s GLU 46 N -3.37 0.05 0.24 1.70 2.12 -0.18 -4.99 118.70 114.27 2arj s GLU 46 Ca 0.67 0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.93 2arj s GLU 46 Cb -0.16 -1.04 -0.10 0.00 0.26 0.00 0.00 34.13 33.09 2arj s GLU 46 CO 0.23 -0.50 1.43 -0.46 -0.54 0.00 0.00 175.26 175.41 2arj s TRP 47 N 2.22 3.04 -0.12 5.30 -0.00 -1.26 -1.44 118.94 126.67 2arj s TRP 47 Ca 0.04 1.05 -0.10 0.00 -0.00 0.00 0.00 56.10 57.08 2arj s TRP 47 Cb -0.14 -3.80 -0.06 0.00 -0.00 0.00 0.00 33.47 29.48 2arj s TRP 47 CO -0.07 -2.58 -0.23 -1.33 -0.00 0.00 0.00 176.95 172.74 2arj n MET 48 N 2.35 0.36 -3.43 5.86 2.81 -0.04 -4.80 117.12 120.23 2arj n MET 48 Ca 0.07 0.15 0.03 0.00 -1.81 0.00 0.00 57.70 56.13 2arj n MET 48 Cb 0.40 -1.12 0.01 0.00 -0.71 0.00 0.00 33.22 31.81 2arj n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2arj n GLY 49 N 2.05 0.26 3.76 3.03 0.00 -1.23 -0.14 105.19 112.92 2arj n GLY 49 Ca -0.21 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 2arj n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2arj s GLY 50 N -3.60 0.19 -0.04 -0.02 0.00 0.12 -1.12 107.32 102.83 2arj s GLY 50 Ca 0.23 -0.56 0.06 0.00 0.00 0.00 0.00 44.72 44.45 2arj s GLY 50 CO -0.01 -0.30 -0.22 -1.50 0.00 0.00 0.00 173.10 171.07 2arj s ILE 51 N -3.82 1.79 0.64 0.90 2.07 -0.59 -0.74 121.20 121.45 2arj s ILE 51 Ca 0.16 -0.93 0.04 0.00 -1.41 0.00 0.00 60.65 58.51 2arj s ILE 51 Cb -0.04 -1.51 0.10 0.00 0.13 0.00 0.00 42.46 41.14 2arj s ILE 51 CO 0.08 0.50 0.88 0.26 -1.91 0.00 0.00 174.94 174.76 2arj s TRP 52 N -0.17 1.60 0.23 3.50 0.52 0.49 -1.96 118.94 123.15 2arj s TRP 52 Ca -0.01 -0.47 -0.06 0.00 0.02 0.00 0.00 56.10 55.58 2arj s TRP 52 Cb -0.12 -2.62 0.33 0.00 -1.15 0.00 0.00 33.47 29.91 2arj s TRP 52 CO 0.02 -1.39 1.81 0.78 0.02 0.00 0.00 176.95 178.20 2arj h GLY 53 N -0.15 1.17 -1.11 0.98 0.00 -1.55 -2.13 103.07 100.27 2arj h GLY 53 Ca -0.34 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2arj h GLY 53 CO 0.41 0.16 0.00 2.09 0.00 0.00 0.00 176.54 179.20 2arj n ASP 54 N -4.74 2.05 0.00 0.19 5.68 -1.26 -4.44 116.55 114.02 2arj n ASP 54 Ca 0.11 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2arj n ASP 54 Cb 0.22 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2arj n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2arj n GLY 55 N 1.22 1.16 3.72 6.12 0.00 -0.80 -5.07 105.19 111.54 2arj n GLY 55 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2arj n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2arj n ASP 56 N 0.00 3.30 -4.64 1.61 9.92 -1.26 -4.63 116.55 120.85 2arj n ASP 56 Ca 0.00 1.17 -0.28 0.00 -0.53 0.00 0.00 54.79 55.15 2arj n ASP 56 Cb 0.00 -1.53 -0.08 0.00 -0.64 0.00 0.00 41.12 38.87 2arj n ASP 56 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2arj s THR 57 N -0.44 3.64 -0.15 -3.53 -4.23 -1.26 -0.38 115.64 109.30 2arj s THR 57 Ca 0.61 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 2arj s THR 57 Cb -0.55 -2.78 0.07 0.00 1.34 0.00 0.00 72.50 70.58 2arj s THR 57 CO 0.54 -0.01 0.23 -0.62 -0.54 0.00 0.00 174.62 174.23 2arj s ASP 58 N -2.61 0.75 0.35 3.99 3.68 0.08 -4.98 116.67 117.91 2arj s ASP 58 Ca 0.25 0.28 0.08 0.00 2.13 0.00 0.00 52.55 55.30 2arj s ASP 58 Cb -0.10 0.52 -0.05 0.00 -1.45 0.00 0.00 42.92 41.84 2arj s ASP 58 CO 0.17 -0.27 0.09 -0.31 0.13 0.00 0.00 175.17 174.98 2arj s TYR 59 N 2.37 2.63 -0.18 -5.34 1.51 -1.26 0.12 117.35 117.20 2arj s TYR 59 Ca 0.04 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 55.57 2arj s TYR 59 Cb -0.13 -1.61 -0.05 0.00 -0.11 0.00 0.00 41.96 40.06 2arj s TYR 59 CO -0.09 0.38 0.16 0.54 -1.11 0.00 0.00 175.55 175.44 2arj s ASN 60 N -3.79 6.29 0.29 2.29 2.20 0.80 -4.91 114.94 118.10 2arj s ASN 60 Ca 0.37 0.33 0.11 0.00 -0.94 0.00 0.00 52.86 52.73 2arj s ASN 60 Cb -0.01 -2.11 0.94 0.00 -2.00 0.00 0.00 41.25 38.08 2arj s ASN 60 CO 0.21 0.21 1.33 -1.20 -2.94 0.00 0.00 177.10 174.71 2arj n SER 61 N 3.22 0.14 -0.13 3.54 7.64 -1.26 0.22 113.62 126.99 2arj n SER 61 Ca -0.16 1.42 0.24 0.00 1.01 0.00 0.00 58.87 61.38 2arj n SER 61 Cb 0.53 -0.62 0.68 0.00 -1.01 0.00 0.00 64.21 63.79 2arj n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2arj h ALA 62 N 1.69 2.63 0.00 -0.43 0.00 -1.96 -2.97 119.26 118.22 2arj h ALA 62 Ca 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2arj h ALA 62 Cb 1.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2arj h ALA 62 CO -0.71 -0.86 0.00 1.28 0.00 0.00 0.00 179.25 178.97 2arj n LEU 63 N -4.34 0.78 -0.35 0.00 4.77 0.13 -4.81 117.00 113.19 2arj n LEU 63 Ca 0.16 -0.78 -0.09 0.00 -0.03 0.00 0.00 56.01 55.27 2arj n LEU 63 Cb 0.80 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.81 2arj n LEU 63 CO 0.37 0.19 0.40 1.17 -1.33 0.00 0.00 177.39 178.19 2arj n LYS 64 N -0.02 -0.36 0.33 3.23 3.00 -0.66 -1.84 118.16 121.84 2arj n LYS 64 Ca 0.00 1.24 0.22 0.00 -0.00 0.00 0.00 58.31 59.77 2arj n LYS 64 Cb 0.07 -1.83 1.14 0.00 0.00 0.00 0.00 35.03 34.42 2arj n LYS 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2arj h SER 65 N 0.00 0.00 0.00 3.14 4.64 -1.87 -3.08 113.55 116.38 2arj h SER 65 Ca 0.13 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 2arj h SER 65 Cb 0.34 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.28 2arj h SER 65 CO -0.77 0.00 -0.65 -2.11 -0.87 0.00 0.00 176.83 172.43 2arj n ARG 66 N -3.14 0.74 -4.22 4.77 1.85 -0.77 -5.01 116.66 110.88 2arj n ARG 66 Ca -0.03 -2.43 -0.17 0.00 -1.00 0.00 0.00 57.85 54.23 2arj n ARG 66 Cb 0.10 -0.84 -0.14 0.00 -1.05 0.00 0.00 32.46 30.53 2arj n ARG 66 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2arj s LEU 67 N -1.55 2.09 -0.19 2.89 2.96 -1.08 -1.16 118.68 122.65 2arj s LEU 67 Ca 0.31 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 2arj s LEU 67 Cb 0.32 -0.35 0.09 0.00 0.50 0.00 0.00 46.19 46.76 2arj s LEU 67 CO -0.09 0.01 0.30 -0.55 -1.32 0.00 0.00 176.35 174.70 2arj s SER 68 N -0.62 0.59 -0.16 3.68 0.15 -0.35 -4.93 113.70 112.06 2arj s SER 68 Ca -0.00 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 2arj s SER 68 Cb -0.05 0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 65.03 2arj s SER 68 CO 0.00 -0.28 -0.13 -0.63 1.20 0.00 0.00 173.24 173.40 2arj s ILE 69 N 2.44 2.91 0.00 6.45 1.01 -1.26 -0.66 121.20 132.09 2arj s ILE 69 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2arj s ILE 69 Cb -0.14 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2arj s ILE 69 CO -0.12 0.50 0.00 -1.54 0.00 0.00 0.00 174.94 173.78 2arj n SER 70 N 3.99 0.38 -3.48 3.58 3.41 -1.02 -4.94 113.62 115.54 2arj n SER 70 Ca -0.19 -0.72 -0.15 0.00 -0.26 0.00 0.00 58.87 57.55 2arj n SER 70 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 2arj n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2arj s ARG 71 N -1.16 1.15 -0.41 4.33 1.70 -1.26 -0.57 118.95 122.72 2arj s ARG 71 Ca 0.00 -0.06 0.03 0.00 -0.47 0.00 0.00 55.73 55.23 2arj s ARG 71 Cb 0.00 0.53 0.12 0.00 -0.57 0.00 0.00 34.95 35.03 2arj s ARG 71 CO 0.00 -0.42 0.16 0.34 -1.08 0.00 0.00 175.30 174.30 2arj s ASP 72 N -1.86 4.31 0.52 -2.89 -1.08 0.14 -4.98 116.67 110.83 2arj s ASP 72 Ca -0.06 -2.46 0.28 0.00 -0.52 0.00 0.00 52.55 49.80 2arj s ASP 72 Cb -0.00 -1.42 1.41 0.00 -1.46 0.00 0.00 42.92 41.44 2arj s ASP 72 CO 0.00 -0.32 2.04 0.71 0.52 0.00 0.00 175.17 178.12 2arj h THR 73 N 5.98 0.47 0.00 1.71 1.35 -1.97 -1.72 112.91 118.73 2arj h THR 73 Ca -0.06 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2arj h THR 73 Cb 0.96 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2arj h THR 73 CO 0.56 0.12 0.00 -1.54 -0.25 0.00 0.00 175.52 174.41 2arj n SER 74 N -3.50 0.36 -0.20 5.36 3.41 -1.26 -3.15 113.62 114.63 2arj n SER 74 Ca -0.01 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.20 2arj n SER 74 Cb 0.27 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.62 2arj n SER 74 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2arj n LYS 75 N -1.87 0.91 -3.86 4.33 5.02 -0.69 -5.01 118.16 116.99 2arj n LYS 75 Ca 0.04 -1.56 -0.26 0.00 -2.02 0.00 0.00 58.31 54.51 2arj n LYS 75 Cb 0.26 -0.93 0.02 0.00 -0.02 0.00 0.00 35.03 34.36 2arj n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2arj n ASN 76 N -0.59 -2.30 -4.12 4.39 3.02 -0.99 -4.81 115.26 109.86 2arj n ASN 76 Ca 0.06 -0.86 -0.25 0.00 -0.03 0.00 0.00 54.58 53.50 2arj n ASN 76 Cb 0.58 -3.71 -0.16 0.00 -0.61 0.00 0.00 39.78 35.89 2arj n ASN 76 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2arj s GLN 77 N -6.37 1.54 -0.06 3.52 -0.21 -0.92 -1.70 119.66 115.46 2arj s GLN 77 Ca 0.27 -0.56 0.06 0.00 0.02 0.00 0.00 55.36 55.14 2arj s GLN 77 Cb -0.14 -1.39 -0.01 0.00 1.00 0.00 0.00 33.01 32.47 2arj s GLN 77 CO 0.84 0.26 -0.24 0.08 -2.12 0.00 0.00 175.29 174.11 2arj s VAL 78 N -0.07 2.01 0.21 1.09 1.01 -0.59 0.27 120.40 124.33 2arj s VAL 78 Ca -0.01 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.03 2arj s VAL 78 Cb -0.10 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2arj s VAL 78 CO 0.01 0.56 -0.09 -0.36 0.00 0.00 0.00 175.10 175.22 2arj s PHE 79 N -0.11 2.61 -0.13 5.22 0.40 0.26 0.01 117.98 126.22 2arj s PHE 79 Ca -0.05 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2arj s PHE 79 Cb -0.14 -1.24 0.03 0.00 0.51 0.00 0.00 43.02 42.19 2arj s PHE 79 CO 0.04 0.55 -0.06 -1.17 0.70 0.00 0.00 175.22 175.28 2arj s LEU 80 N -3.06 1.33 -0.13 -0.37 2.96 0.22 -2.43 118.68 117.20 2arj s LEU 80 Ca 0.27 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 2arj s LEU 80 Cb -0.08 -0.85 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 2arj s LEU 80 CO 0.16 -0.15 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.36 2arj s LYS 81 N 1.69 3.37 -0.01 1.98 3.01 0.17 -0.85 119.74 129.10 2arj s LYS 81 Ca 0.03 -0.69 0.04 0.00 -1.01 0.00 0.00 55.97 54.34 2arj s LYS 81 Cb -0.14 -2.62 -0.01 0.00 -1.01 0.00 0.00 37.83 34.05 2arj s LYS 81 CO -0.08 0.22 -0.14 1.41 0.51 0.00 0.00 175.35 177.27 2arj s MET 82 N 0.34 1.16 0.19 1.68 1.75 -0.09 -1.21 119.30 123.12 2arj s MET 82 Ca -0.11 -0.48 0.00 0.00 -1.25 0.00 0.00 55.69 53.85 2arj s MET 82 Cb -0.16 -1.10 -0.04 0.00 2.84 0.00 0.00 34.83 36.37 2arj s MET 82 CO 0.06 0.27 0.36 -0.80 -0.65 0.00 0.00 175.02 174.26 2arj s ASN 82 N -0.24 6.37 -0.49 1.11 0.01 -0.31 -0.35 114.94 121.04 2arj s ASN 82 Ca 0.04 0.33 -0.06 0.00 -0.71 0.00 0.00 52.86 52.46 2arj s ASN 82 Cb -0.06 -1.98 0.01 0.00 0.41 0.00 0.00 41.25 39.63 2arj s ASN 82 CO -0.00 -0.02 0.41 -1.54 -1.51 0.00 0.00 177.10 174.43 2arj n SER 82 N -0.66 -3.26 -4.76 -1.22 3.41 -1.13 -4.88 113.62 101.13 2arj n SER 82 Ca -0.05 -0.53 -0.37 0.00 -0.26 0.00 0.00 58.87 57.65 2arj n SER 82 Cb 0.54 -1.05 0.03 0.00 -0.26 0.00 0.00 64.21 63.47 2arj n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2arj s LEU 82 N -3.45 3.83 0.00 1.04 1.02 -0.88 -4.62 118.68 115.62 2arj s LEU 82 Ca 0.06 2.53 0.06 0.00 0.02 0.00 0.00 54.13 56.80 2arj s LEU 82 Cb -0.01 -4.37 -0.02 0.00 0.02 0.00 0.00 46.19 41.81 2arj s LEU 82 CO 0.59 -1.43 0.23 0.00 0.02 0.00 0.00 176.35 175.76 2arj n GLN 83 N -1.08 0.48 -0.15 1.70 1.13 -1.26 -1.13 117.38 117.07 2arj n GLN 83 Ca 0.11 -3.46 -0.07 0.00 -1.94 0.00 0.00 57.00 51.64 2arj n GLN 83 Cb 0.47 2.41 -0.01 0.00 0.11 0.00 0.00 30.24 33.22 2arj n GLN 83 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2arj h THR 84 N 1.92 0.20 0.00 5.09 2.02 -1.98 -1.31 112.91 118.86 2arj h THR 84 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2arj h THR 84 Cb 1.23 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2arj h THR 84 CO 0.42 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.41 2arj n ASP 85 N -5.42 0.00 -0.00 4.18 3.85 -1.26 -1.29 116.55 116.61 2arj n ASP 85 Ca 0.02 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.18 2arj n ASP 85 Cb 0.34 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.01 2arj n ASP 85 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2arj n ASP 86 N -0.86 0.90 -4.66 -1.12 8.00 -0.49 -4.94 116.55 113.38 2arj n ASP 86 Ca 0.00 -0.62 -0.43 0.00 0.71 0.00 0.00 54.79 54.45 2arj n ASP 86 Cb 0.00 1.21 -0.03 0.00 -0.02 0.00 0.00 41.12 42.28 2arj n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2arj n THR 87 N -1.57 0.71 -3.80 -3.53 -1.04 -0.41 -4.87 114.28 99.78 2arj n THR 87 Ca 0.01 -0.16 -0.03 0.00 -2.04 0.00 0.00 64.05 61.83 2arj n THR 87 Cb 0.29 -2.27 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 2arj n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2arj s ALA 88 N 4.72 -1.67 -0.09 2.41 0.00 -1.14 -4.34 121.76 121.66 2arj s ALA 88 Ca 0.91 -0.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 2arj s ALA 88 Cb -0.47 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2arj s ALA 88 CO 0.43 -1.05 0.38 0.42 0.00 0.00 0.00 175.76 175.94 2arj s ILE 89 N -2.70 5.18 -0.22 0.00 1.01 -0.68 -1.40 121.20 122.39 2arj s ILE 89 Ca 0.17 0.76 -0.05 0.00 0.00 0.00 0.00 60.65 61.53 2arj s ILE 89 Cb -0.01 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2arj s ILE 89 CO 0.03 0.45 0.00 -0.31 0.00 0.00 0.00 174.94 175.11 2arj s TYR 90 N -0.11 3.02 -0.08 3.97 1.51 0.06 -0.39 117.35 125.33 2arj s TYR 90 Ca 0.22 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 2arj s TYR 90 Cb -0.15 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 2arj s TYR 90 CO 0.09 -0.37 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.02 2arj s PHE 91 N 1.30 2.90 -0.04 2.71 0.08 0.26 -2.01 117.98 123.18 2arj s PHE 91 Ca 0.04 -0.12 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 2arj s PHE 91 Cb -0.15 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 2arj s PHE 91 CO 0.01 0.20 0.17 0.00 -0.10 0.00 0.00 175.22 175.50 2arj s THR 93 N -1.24 -0.38 0.50 0.00 -1.32 -0.01 -1.29 115.64 111.89 2arj s THR 93 Ca 0.24 0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.77 2arj s THR 93 Cb -0.12 -0.88 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 2arj s THR 93 CO 0.15 0.02 0.72 -2.16 -2.21 0.00 0.00 174.62 171.14 2arj s PRO 94 N 2.10 2.81 -0.31 7.08 0.04 -1.25 -1.68 135.00 143.79 2arj s PRO 94 Ca -0.08 -0.62 -0.03 0.00 0.04 0.00 0.00 61.00 60.31 2arj s PRO 94 Cb -0.09 -2.52 0.04 0.00 0.04 0.00 0.00 34.50 31.98 2arj s PRO 94 CO -0.17 -0.49 0.03 -0.51 0.04 0.00 0.00 177.00 175.89 2arj s LEU 95 N -4.66 3.97 -0.31 -3.56 1.43 0.23 -4.57 118.68 111.21 2arj s LEU 95 Ca 0.53 -1.20 -0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2arj s LEU 95 Cb -0.10 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.43 2arj s LEU 95 CO 0.38 -0.27 0.01 0.27 0.23 0.00 0.00 176.35 176.97 2arj s ILE 96 N 1.30 2.79 0.00 -0.59 -5.25 -1.26 -2.40 121.20 115.79 2arj s ILE 96 Ca -0.04 -1.63 0.00 0.00 -0.99 0.00 0.00 60.65 57.99 2arj s ILE 96 Cb -0.19 -2.70 0.00 0.00 2.95 0.00 0.00 42.46 42.51 2arj s ILE 96 CO -0.00 -0.23 0.00 0.61 -1.79 0.00 0.00 174.94 173.53 2arj n GLY 97 N 4.54 0.48 3.48 6.27 0.00 -1.26 -4.90 105.19 113.80 2arj n GLY 97 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 2arj n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2arj s SER 98 N -2.46 0.61 -0.04 1.61 0.01 -1.26 -5.06 113.70 107.11 2arj s SER 98 Ca 0.00 -1.35 0.10 0.00 1.31 0.00 0.00 55.95 56.01 2arj s SER 98 Cb 0.00 0.62 0.27 0.00 0.21 0.00 0.00 66.02 67.11 2arj s SER 98 CO 0.00 -1.21 1.21 0.79 0.41 0.00 0.00 173.24 174.44 2arj n TRP 99 N -0.49 0.40 -4.37 2.43 7.02 -1.26 -4.78 117.44 116.39 2arj n TRP 99 Ca 0.00 -0.60 -0.24 0.00 -1.02 0.00 0.00 57.50 55.64 2arj n TRP 99 Cb 0.62 -0.09 -0.09 0.00 -2.42 0.00 0.00 31.31 29.33 2arj n TRP 99 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 2arj s TYR 100 N -1.46 2.51 -1.02 -5.99 1.13 -1.26 -5.09 117.35 106.17 2arj s TYR 100 Ca 0.21 -0.27 -0.11 0.00 -1.41 0.00 0.00 57.07 55.49 2arj s TYR 100 Cb 0.14 -1.13 0.25 0.00 -1.10 0.00 0.00 41.96 40.13 2arj s TYR 100 CO 0.10 0.63 1.01 -0.06 -2.51 0.00 0.00 175.55 174.72 2arj s PHE 100 N -2.26 4.06 -0.41 -3.49 0.40 -1.26 -4.70 117.98 110.32 2arj s PHE 100 Ca 0.29 -2.42 0.23 0.00 -0.60 0.00 0.00 56.93 54.43 2arj s PHE 100 Cb -0.06 -3.86 0.19 0.00 0.51 0.00 0.00 43.02 39.80 2arj s PHE 100 CO 0.17 -0.99 1.26 0.38 0.70 0.00 0.00 175.22 176.73 2arj h ASP 101 N 7.09 0.00 -4.41 1.36 2.03 -1.99 -3.45 116.42 117.05 2arj h ASP 101 Ca 0.16 -0.06 -0.69 0.00 -0.73 0.00 0.00 57.03 55.71 2arj h ASP 101 Cb 0.93 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.13 2arj h ASP 101 CO 0.94 0.03 -0.89 -0.36 -1.03 0.00 0.00 179.24 177.93 2arj s PHE 102 N -3.27 2.35 0.01 4.15 0.08 -1.26 -5.14 117.98 114.89 2arj s PHE 102 Ca 0.03 -0.53 0.03 0.00 0.12 0.00 0.00 56.93 56.58 2arj s PHE 102 Cb 0.10 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 2arj s PHE 102 CO 0.74 -0.10 -0.09 -1.58 -0.10 0.00 0.00 175.22 174.09 2arj s TRP 103 N -0.46 0.80 0.78 0.36 0.52 -1.26 -3.84 118.94 115.84 2arj s TRP 103 Ca 0.05 -0.24 -0.11 0.00 0.02 0.00 0.00 56.10 55.83 2arj s TRP 103 Cb -0.11 -0.50 0.06 0.00 -1.15 0.00 0.00 33.47 31.77 2arj s TRP 103 CO 0.01 -0.01 1.08 0.20 0.02 0.00 0.00 176.95 178.24 2arj s GLY 104 N -0.61 1.65 0.57 0.98 0.00 -0.41 -4.72 107.32 104.78 2arj s GLY 104 Ca 0.01 0.07 0.35 0.00 0.00 0.00 0.00 44.72 45.14 2arj s GLY 104 CO 0.00 0.44 2.05 -0.56 0.00 0.00 0.00 173.10 175.03 2arj h PRO 105 N -1.08 0.00 0.00 2.90 0.13 -1.90 -3.45 132.00 128.60 2arj h PRO 105 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2arj h PRO 105 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2arj h PRO 105 CO 0.55 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 2arj n GLY 106 N -0.16 1.43 3.20 1.56 0.00 -1.26 -5.02 105.19 104.94 2arj n GLY 106 Ca -0.00 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 2arj n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2arj s THR 107 N -1.82 1.60 0.26 2.61 -4.23 -0.85 -4.87 115.64 108.34 2arj s THR 107 Ca 0.00 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.36 2arj s THR 107 Cb 0.00 -1.34 -0.09 0.00 1.34 0.00 0.00 72.50 72.40 2arj s THR 107 CO 0.00 0.45 1.07 -0.04 -0.54 0.00 0.00 174.62 175.57 2arj s MET 108 N -0.32 4.67 -0.25 3.99 -1.94 -1.26 -0.76 119.30 123.42 2arj s MET 108 Ca 0.04 1.74 -0.02 0.00 -1.71 0.00 0.00 55.69 55.74 2arj s MET 108 Cb -0.09 -3.22 0.08 0.00 2.01 0.00 0.00 34.83 33.61 2arj s MET 108 CO 0.00 0.24 0.06 0.08 -0.01 0.00 0.00 175.02 175.39 2arj s VAL 109 N -1.00 0.65 -0.01 -6.03 1.01 -0.49 -4.55 120.40 109.98 2arj s VAL 109 Ca 0.45 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 2arj s VAL 109 Cb -0.31 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2arj s VAL 109 CO 0.39 -0.43 0.77 -0.89 0.00 0.00 0.00 175.10 174.93 2arj s THR 110 N 1.77 4.88 -0.48 3.92 2.01 -0.16 -2.86 115.64 124.71 2arj s THR 110 Ca 0.04 1.61 -0.16 0.00 0.31 0.00 0.00 61.69 63.49 2arj s THR 110 Cb -0.17 -4.11 0.08 0.00 0.01 0.00 0.00 72.50 68.31 2arj s THR 110 CO -0.17 0.29 0.43 0.00 -0.69 0.00 0.00 174.62 174.48 2arj s ALA 111 N 0.42 3.55 0.04 7.40 0.00 -1.26 -0.49 121.76 131.43 2arj s ALA 111 Ca 0.40 -2.13 -0.25 0.00 0.00 0.00 0.00 51.96 49.97 2arj s ALA 111 Cb -0.19 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 19.86 2arj s ALA 111 CO 0.22 -1.79 0.58 0.45 0.00 0.00 0.00 175.76 175.21 2arj s SER 112 N 2.74 -0.53 0.23 0.00 0.15 -0.81 -4.50 113.70 110.98 2arj s SER 112 Ca 0.05 0.30 0.24 0.00 0.70 0.00 0.00 55.95 57.24 2arj s SER 112 Cb -0.25 0.53 0.34 0.00 -1.71 0.00 0.00 66.02 64.93 2arj s SER 112 CO 0.07 -0.74 1.39 0.77 1.20 0.00 0.00 173.24 175.93 2arj h SER 113 N 2.69 0.00 -4.14 5.45 4.64 -1.96 -3.36 113.55 116.87 2arj h SER 113 Ca -0.30 -0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.40 2arj h SER 113 Cb 1.21 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.46 2arj h SER 113 CO 0.40 0.04 0.45 0.00 -0.87 0.00 0.00 176.83 176.84 2arj s ALA 114 N -3.22 2.24 0.47 5.18 0.00 -1.26 -5.01 121.76 120.16 2arj s ALA 114 Ca 0.05 1.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 2arj s ALA 114 Cb 0.10 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 2arj s ALA 114 CO 0.71 -1.74 0.88 -0.65 0.00 0.00 0.00 175.76 174.95 2arj s GLN 115 N -3.64 3.83 0.36 0.00 -1.52 -1.26 -5.04 119.66 112.38 2arj s GLN 115 Ca 0.78 0.68 -0.28 0.00 -1.95 0.00 0.00 55.36 54.59 2arj s GLN 115 Cb -0.33 -2.26 -0.11 0.00 -0.22 0.00 0.00 33.01 30.09 2arj s GLN 115 CO 0.42 -0.18 1.50 0.99 -0.25 0.00 0.00 175.29 177.77 2arj s THR 116 N -2.55 2.10 -0.04 -0.19 2.01 -1.26 -4.81 115.64 110.89 2arj s THR 116 Ca 0.54 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.64 2arj s THR 116 Cb -0.10 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.37 2arj s THR 116 CO 0.33 0.02 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.37 2arj s THR 117 N -0.88 0.43 0.58 -0.82 2.01 -0.07 -4.92 115.64 111.97 2arj s THR 117 Ca 0.55 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.32 2arj s THR 117 Cb -0.46 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2arj s THR 117 CO 0.59 0.21 1.12 0.00 -0.69 0.00 0.00 174.62 175.85 2arj s ALA 118 N 1.06 2.64 0.49 7.40 0.00 -1.26 -1.02 121.76 131.07 2arj s ALA 118 Ca -0.09 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.42 2arj s ALA 118 Cb -0.14 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2arj s ALA 118 CO -0.01 -0.90 0.98 -1.25 0.00 0.00 0.00 175.76 174.57 2arj s PRO 119 N -3.52 4.02 -0.17 0.00 0.04 -1.26 -4.40 135.00 129.71 2arj s PRO 119 Ca 0.71 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.70 2arj s PRO 119 Cb -0.23 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2arj s PRO 119 CO 0.31 -0.21 0.08 -1.12 0.04 0.00 0.00 177.00 176.11 2arj s SER 120 N -2.73 5.84 -0.13 6.66 0.01 -0.23 -4.91 113.70 118.20 2arj s SER 120 Ca 0.60 0.18 0.01 0.00 1.31 0.00 0.00 55.95 58.05 2arj s SER 120 Cb -0.10 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 2arj s SER 120 CO 0.25 0.22 -0.17 -0.69 0.41 0.00 0.00 173.24 173.27 2arj s VAL 121 N 0.07 2.66 -0.03 3.43 1.01 -1.26 -0.24 120.40 126.04 2arj s VAL 121 Ca 0.07 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2arj s VAL 121 Cb -0.12 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2arj s VAL 121 CO 0.00 0.53 -0.05 -0.31 0.00 0.00 0.00 175.10 175.27 2arj s TYR 122 N 0.51 0.68 0.44 5.22 2.02 0.71 -4.99 117.35 121.94 2arj s TYR 122 Ca -0.11 -0.16 -0.23 0.00 -0.37 0.00 0.00 57.07 56.19 2arj s TYR 122 Cb -0.16 -0.56 -0.08 0.00 -0.40 0.00 0.00 41.96 40.76 2arj s TYR 122 CO 0.04 -0.13 1.10 -1.25 -1.57 0.00 0.00 175.55 173.75 2arj s PRO 123 N 0.55 3.94 -0.25 -1.71 0.04 -1.26 -0.94 135.00 135.37 2arj s PRO 123 Ca -0.07 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.62 2arj s PRO 123 Cb -0.11 -2.44 0.06 0.00 0.04 0.00 0.00 34.50 32.05 2arj s PRO 123 CO 0.00 -0.36 -0.10 -0.51 0.04 0.00 0.00 177.00 176.07 2arj s LEU 124 N -2.90 3.12 0.07 -3.56 1.43 0.13 -4.84 118.68 112.14 2arj s LEU 124 Ca 0.61 -1.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 2arj s LEU 124 Cb -0.25 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2arj s LEU 124 CO 0.30 -0.19 -0.21 0.00 0.23 0.00 0.00 176.35 176.47 2arj s ALA 125 N 1.20 1.84 0.22 4.21 0.00 -1.26 -1.52 121.76 126.45 2arj s ALA 125 Ca -0.07 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 2arj s ALA 125 Cb -0.19 -0.32 -0.15 0.00 0.00 0.00 0.00 23.12 22.45 2arj s ALA 125 CO -0.06 0.40 1.00 -2.30 0.00 0.00 0.00 175.76 174.80 2arj n PRO 126 N 1.54 1.04 0.07 0.00 -0.02 -1.26 -4.91 135.00 131.46 2arj n PRO 126 Ca -0.18 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 2arj n PRO 126 Cb 0.53 -1.73 0.24 0.00 -0.02 0.00 0.00 33.50 32.52 2arj n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2arj n GLY 127 N 1.66 -1.48 2.67 -1.23 0.00 -1.26 -3.93 105.19 101.62 2arj n GLY 127 Ca 0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 2arj n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2arj s GLY 129 N -0.54 2.25 0.29 0.00 0.00 -1.25 -5.18 107.32 102.89 2arj s GLY 129 Ca 0.10 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.94 2arj s GLY 129 CO -0.04 -1.82 0.00 -1.26 0.00 0.00 0.00 173.10 169.98 2arj n SER 135 N -1.46 -7.67 -0.31 1.64 2.88 -1.26 -4.88 113.62 102.57 2arj n SER 135 Ca 0.01 1.33 0.04 0.00 -1.33 0.00 0.00 58.87 58.91 2arj n SER 135 Cb 0.63 -4.51 0.18 0.00 -0.75 0.00 0.00 64.21 59.76 2arj n SER 135 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2arj h SER 136 N 3.16 0.75 -3.45 -3.46 0.02 -1.95 -3.38 113.55 105.25 2arj h SER 136 Ca 0.00 0.04 -0.61 0.00 -0.84 0.00 0.00 61.79 60.38 2arj h SER 136 Cb 0.00 -0.10 -0.14 0.00 0.14 0.00 0.00 62.40 62.29 2arj h SER 136 CO 0.00 0.43 -0.51 -0.89 -1.14 0.00 0.00 176.83 174.71 2arj s THR 137 N -6.02 5.24 -0.01 -2.27 2.01 -1.26 -4.29 115.64 109.04 2arj s THR 137 Ca -0.12 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.08 2arj s THR 137 Cb 0.20 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 2arj s THR 137 CO 0.79 0.39 -0.23 0.68 -0.69 0.00 0.00 174.62 175.56 2arj s VAL 138 N 0.76 2.35 -0.15 3.82 -7.23 -0.67 -4.93 120.40 114.34 2arj s VAL 138 Ca 0.07 -1.06 -0.21 0.00 -1.81 0.00 0.00 61.98 58.97 2arj s VAL 138 Cb -0.13 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 2arj s VAL 138 CO 0.02 0.54 0.63 -0.89 -0.31 0.00 0.00 175.10 175.09 2arj s THR 139 N -0.68 5.04 0.43 5.32 2.01 -1.26 -1.73 115.64 124.76 2arj s THR 139 Ca 0.11 1.23 0.07 0.00 0.31 0.00 0.00 61.69 63.41 2arj s THR 139 Cb -0.10 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2arj s THR 139 CO 0.00 0.17 0.12 -0.76 -0.69 0.00 0.00 174.62 173.47 2arj s LEU 140 N 1.48 2.96 0.12 4.42 1.43 0.80 -4.69 118.68 125.20 2arj s LEU 140 Ca 0.31 -1.22 -0.25 0.00 -1.03 0.00 0.00 54.13 51.94 2arj s LEU 140 Cb -0.16 -1.21 0.08 0.00 0.03 0.00 0.00 46.19 44.93 2arj s LEU 140 CO 0.12 -0.56 0.69 -0.83 0.23 0.00 0.00 176.35 176.00 2arj s GLY 141 N -3.86 -0.55 -0.08 -3.19 0.00 -0.57 -1.08 107.32 97.98 2arj s GLY 141 Ca 0.36 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.72 2arj s GLY 141 CO 0.20 0.20 -0.18 0.00 0.00 0.00 0.00 173.10 173.31 2arj s LEU 143 N -0.08 3.81 -0.29 0.00 0.20 -0.11 -1.24 118.68 120.97 2arj s LEU 143 Ca -0.04 -0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.72 2arj s LEU 143 Cb -0.14 -2.04 0.06 0.00 -0.43 0.00 0.00 46.19 43.63 2arj s LEU 143 CO 0.04 -0.02 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.35 2arj s VAL 144 N 1.57 2.63 -0.06 1.68 1.01 -0.33 -0.21 120.40 126.69 2arj s VAL 144 Ca 0.07 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.55 2arj s VAL 144 Cb -0.15 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2arj s VAL 144 CO 0.07 -0.09 -0.12 -0.75 0.00 0.00 0.00 175.10 174.20 2arj s LYS 145 N 1.18 1.63 0.00 2.72 2.20 0.66 -0.24 119.74 127.89 2arj s LYS 145 Ca -0.06 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2arj s LYS 145 Cb -0.20 -1.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.75 2arj s LYS 145 CO -0.03 0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2arj n GLY 146 N 3.68 0.70 3.57 5.54 0.00 0.87 -1.07 105.19 118.47 2arj n GLY 146 Ca -0.22 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 2arj n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2arj s TYR 147 N -2.70 2.65 -0.10 1.61 1.13 -0.57 -4.41 117.35 114.96 2arj s TYR 147 Ca 0.00 -0.21 -0.10 0.00 -1.41 0.00 0.00 57.07 55.35 2arj s TYR 147 Cb 0.00 -1.32 0.03 0.00 -1.10 0.00 0.00 41.96 39.57 2arj s TYR 147 CO 0.00 0.49 0.28 0.12 -2.51 0.00 0.00 175.55 173.93 2arj s PHE 148 N -1.57 -0.29 0.57 -3.49 5.36 -0.18 -0.29 117.98 118.08 2arj s PHE 148 Ca 0.24 0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 56.87 2arj s PHE 148 Cb -0.09 0.10 0.12 0.00 -0.34 0.00 0.00 43.02 42.81 2arj s PHE 148 CO 0.15 -0.17 0.78 -0.35 -1.46 0.00 0.00 175.22 174.16 2arj n PRO 149 N 2.76 -0.20 -0.69 10.12 -0.04 -1.26 -0.89 135.00 144.80 2arj n PRO 149 Ca -0.14 -1.79 -0.28 0.00 -0.04 0.00 0.00 63.50 61.25 2arj n PRO 149 Cb 0.58 -0.62 0.24 0.00 -0.04 0.00 0.00 33.50 33.66 2arj n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2arj s GLU 150 N -4.54 -0.77 0.68 0.54 0.41 -1.26 -4.76 118.70 109.01 2arj s GLU 150 Ca 0.49 0.71 -0.07 0.00 -0.41 0.00 0.00 54.97 55.69 2arj s GLU 150 Cb -0.02 -1.58 0.05 0.00 -1.78 0.00 0.00 34.13 30.79 2arj s GLU 150 CO 0.33 -3.59 1.00 -1.25 -0.49 0.00 0.00 175.26 171.26 2arj s PRO 151 N -4.58 2.37 -0.00 0.39 0.04 -1.26 -4.93 135.00 127.03 2arj s PRO 151 Ca 0.68 -0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.59 2arj s PRO 151 Cb -0.23 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 2arj s PRO 151 CO 0.63 -1.13 -0.09 0.08 0.04 0.00 0.00 177.00 176.53 2arj s VAL 152 N -3.21 0.74 -0.03 -0.36 1.01 -1.26 -4.61 120.40 112.69 2arj s VAL 152 Ca 0.59 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 2arj s VAL 152 Cb -0.11 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2arj s VAL 152 CO 0.45 0.18 0.17 -0.89 0.00 0.00 0.00 175.10 175.02 2arj s THR 153 N -0.27 5.42 -0.10 3.92 2.01 -0.33 -4.98 115.64 121.31 2arj s THR 153 Ca 0.03 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 2arj s THR 153 Cb -0.04 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 69.02 2arj s THR 153 CO -0.00 0.37 0.21 0.54 -0.69 0.00 0.00 174.62 175.05 2arj s VAL 154 N -1.28 -0.30 0.43 3.82 0.11 -1.26 -1.77 120.40 120.16 2arj s VAL 154 Ca 0.25 0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.66 2arj s VAL 154 Cb -0.13 -0.36 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 2arj s VAL 154 CO 0.16 0.12 0.06 0.42 -3.33 0.00 0.00 175.10 172.54 2arj s THR 156 N 2.20 1.95 -0.05 5.04 -4.23 0.27 -4.94 115.64 115.87 2arj s THR 156 Ca 0.01 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 2arj s THR 156 Cb -0.12 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2arj s THR 156 CO -0.07 0.00 -0.16 0.26 -0.54 0.00 0.00 174.62 174.11 2arj s TRP 157 N -2.71 1.64 -1.45 3.99 0.52 -1.22 0.09 118.94 119.80 2arj s TRP 157 Ca 0.32 -0.51 -0.06 0.00 0.02 0.00 0.00 56.10 55.88 2arj s TRP 157 Cb 0.07 -1.12 0.01 0.00 -1.15 0.00 0.00 33.47 31.27 2arj s TRP 157 CO 0.17 -0.20 0.24 0.09 0.02 0.00 0.00 176.95 177.27 2arj n ASN 162 N 3.32 -0.37 -3.04 2.95 3.02 0.73 -1.39 115.26 120.47 2arj n ASN 162 Ca -0.19 -1.20 -0.21 0.00 -0.03 0.00 0.00 54.58 52.95 2arj n ASN 162 Cb 0.53 -2.06 0.01 0.00 -0.61 0.00 0.00 39.78 37.65 2arj n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2arj n SER 163 N -2.80 -4.59 0.00 6.41 7.64 -1.26 -1.61 113.62 117.41 2arj n SER 163 Ca -0.28 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.36 2arj n SER 163 Cb 0.67 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 2arj n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2arj n GLY 164 N -1.21 2.94 0.36 0.23 0.00 -0.60 -4.93 105.19 101.98 2arj n GLY 164 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 2arj n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2arj h ALA 165 N 0.00 1.56 -2.05 4.61 0.00 -1.25 -3.27 119.26 118.87 2arj h ALA 165 Ca 0.00 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 2arj h ALA 165 Cb 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 17.40 2arj h ALA 165 CO 0.00 0.34 0.34 -0.51 0.00 0.00 0.00 179.25 179.43 2arj s LEU 166 N -9.87 4.28 0.00 0.00 1.43 -0.49 -4.62 118.68 109.42 2arj s LEU 166 Ca -0.11 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2arj s LEU 166 Cb 0.19 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2arj s LEU 166 CO 0.79 -0.92 0.00 -0.24 0.23 0.00 0.00 176.35 176.20 2arj n SER 167 N 6.72 0.00 0.00 2.29 2.88 -1.23 -3.43 113.62 120.84 2arj n SER 167 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2arj n SER 167 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2arj n SER 167 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2arj n SER 168 N -0.56 0.00 -1.78 -3.46 7.64 -1.26 -3.04 113.62 111.16 2arj n SER 168 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2arj n SER 168 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 2arj n SER 168 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2arj n ASP 169 N 0.00 3.55 -4.72 6.43 -0.08 -1.26 -4.96 116.55 115.50 2arj n ASP 169 Ca 0.00 -3.03 -0.42 0.00 -1.51 0.00 0.00 54.79 49.83 2arj n ASP 169 Cb 0.00 -0.72 -0.03 0.00 2.34 0.00 0.00 41.12 42.71 2arj n ASP 169 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2arj s VAL 171 N -2.18 4.10 -0.20 5.18 1.01 -1.17 -4.19 120.40 122.94 2arj s VAL 171 Ca 0.38 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.97 2arj s VAL 171 Cb 0.31 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2arj s VAL 171 CO 0.08 0.18 -0.11 -1.00 0.00 0.00 0.00 175.10 174.24 2arj s HIS 172 N 0.57 2.51 -0.20 5.22 3.76 -0.35 -4.98 115.29 121.82 2arj s HIS 172 Ca 0.54 -1.64 -0.03 0.00 -0.15 0.00 0.00 55.06 53.78 2arj s HIS 172 Cb -0.28 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 2arj s HIS 172 CO 0.31 -0.76 -0.06 -0.08 -0.85 0.00 0.00 174.74 173.30 2arj s THR 173 N 1.37 3.31 0.10 1.30 -1.32 -1.26 -0.09 115.64 119.05 2arj s THR 173 Ca -0.01 -0.53 -0.11 0.00 -1.21 0.00 0.00 61.69 59.83 2arj s THR 173 Cb -0.16 -2.48 -0.06 0.00 -1.51 0.00 0.00 72.50 68.29 2arj s THR 173 CO -0.08 0.45 0.45 -0.36 -2.21 0.00 0.00 174.62 172.86 2arj s PHE 174 N 1.18 3.59 0.19 9.09 0.40 -0.15 -5.00 117.98 127.29 2arj s PHE 174 Ca 0.02 0.88 -0.32 0.00 -0.60 0.00 0.00 56.93 56.91 2arj s PHE 174 Cb -0.14 -2.23 -0.16 0.00 0.51 0.00 0.00 43.02 41.00 2arj s PHE 174 CO -0.02 0.49 1.07 -2.30 0.70 0.00 0.00 175.22 175.17 2arj n PRO 175 N 0.89 1.06 -2.49 0.24 -0.02 -1.26 -4.37 135.00 129.05 2arj n PRO 175 Ca -0.07 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 2arj n PRO 175 Cb 0.52 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 2arj n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2arj s ALA 176 N -0.43 2.99 -0.10 3.55 0.00 -1.26 -4.82 121.76 121.68 2arj s ALA 176 Ca 0.70 0.71 0.02 0.00 0.00 0.00 0.00 51.96 53.39 2arj s ALA 176 Cb -0.84 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 18.98 2arj s ALA 176 CO 0.54 -0.33 -0.17 0.54 0.00 0.00 0.00 175.76 176.35 2arj s VAL 177 N -1.75 2.73 0.18 0.00 0.11 -0.59 -4.95 120.40 116.13 2arj s VAL 177 Ca 0.62 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 2arj s VAL 177 Cb -0.21 -2.10 -0.08 0.00 -1.53 0.00 0.00 36.38 32.47 2arj s VAL 177 CO 0.26 0.55 0.92 -0.22 -3.33 0.00 0.00 175.10 173.28 2arj s LEU 178 N 0.10 4.59 -0.22 2.54 0.20 -1.26 -2.23 118.68 122.39 2arj s LEU 178 Ca -0.08 1.84 -0.09 0.00 0.69 0.00 0.00 54.13 56.49 2arj s LEU 178 Cb -0.15 -3.55 0.09 0.00 -0.43 0.00 0.00 46.19 42.15 2arj s LEU 178 CO 0.05 0.09 0.49 -1.10 -0.29 0.00 0.00 176.35 175.59 2arj s GLN 181 N -0.76 0.43 -1.47 1.98 -1.52 0.48 -4.93 119.66 113.86 2arj s GLN 181 Ca 0.42 1.08 -0.02 0.00 -1.95 0.00 0.00 55.36 54.89 2arj s GLN 181 Cb -0.25 0.33 0.00 0.00 -0.22 0.00 0.00 33.01 32.88 2arj s GLN 181 CO 0.30 -0.21 0.21 0.43 -0.25 0.00 0.00 175.29 175.77 2arj n SER 182 N 5.03 0.10 -1.29 5.90 7.64 -1.26 -1.07 113.62 128.66 2arj n SER 182 Ca -0.14 -1.17 -0.16 0.00 1.01 0.00 0.00 58.87 58.42 2arj n SER 182 Cb 0.52 -2.20 -0.06 0.00 -1.01 0.00 0.00 64.21 61.46 2arj n SER 182 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2arj n GLY 183 N -2.31 1.28 2.94 0.23 0.00 -1.26 -4.98 105.19 101.09 2arj n GLY 183 Ca -0.31 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2arj n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2arj s LEU 184 N -3.71 2.12 -0.06 0.99 1.43 -0.24 -4.79 118.68 114.43 2arj s LEU 184 Ca 0.00 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2arj s LEU 184 Cb 0.00 0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.20 2arj s LEU 184 CO 0.00 -0.14 0.13 -0.31 0.23 0.00 0.00 176.35 176.26 2arj s TYR 185 N -0.74 3.49 -0.03 0.29 2.02 0.61 -0.39 117.35 122.60 2arj s TYR 185 Ca -0.08 0.38 0.05 0.00 -0.37 0.00 0.00 57.07 57.06 2arj s TYR 185 Cb -0.05 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 2arj s TYR 185 CO -0.00 0.65 -0.19 0.99 -1.57 0.00 0.00 175.55 175.43 2arj s THR 186 N -1.16 1.51 0.10 -0.71 2.01 -0.95 -0.09 115.64 116.35 2arj s THR 186 Ca 0.21 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2arj s THR 186 Cb -0.12 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2arj s THR 186 CO 0.11 0.43 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.15 2arj s LEU 187 N -0.28 2.40 0.18 4.42 0.20 0.67 -1.54 118.68 124.73 2arj s LEU 187 Ca 0.03 -0.81 0.02 0.00 0.69 0.00 0.00 54.13 54.07 2arj s LEU 187 Cb -0.09 -0.32 -0.05 0.00 -0.43 0.00 0.00 46.19 45.30 2arj s LEU 187 CO 0.00 -0.25 0.00 0.42 -0.29 0.00 0.00 176.35 176.24 2arj s THR 188 N -2.38 0.70 -0.05 3.68 -4.23 -1.26 -1.18 115.64 110.91 2arj s THR 188 Ca 0.05 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.51 2arj s THR 188 Cb -0.03 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.69 2arj s THR 188 CO 0.00 -0.47 0.17 -0.55 -0.54 0.00 0.00 174.62 173.24 2arj s SER 189 N -3.18 -0.15 0.13 3.99 0.15 -0.38 -0.98 113.70 113.29 2arj s SER 189 Ca 0.24 0.26 0.08 0.00 0.70 0.00 0.00 55.95 57.23 2arj s SER 189 Cb 0.06 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2arj s SER 189 CO 0.04 -0.12 -0.19 -0.94 1.20 0.00 0.00 173.24 173.23 2arj s SER 190 N -0.17 2.59 0.07 5.45 1.04 0.87 0.02 113.70 123.57 2arj s SER 190 Ca -0.03 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 55.59 2arj s SER 190 Cb -0.02 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 2arj s SER 190 CO 0.01 0.00 0.04 0.68 0.98 0.00 0.00 173.24 174.95 2arj s VAL 191 N -1.65 0.18 0.17 5.02 -7.23 -0.24 -1.21 120.40 115.44 2arj s VAL 191 Ca 0.11 -1.67 0.10 0.00 -1.81 0.00 0.00 61.98 58.72 2arj s VAL 191 Cb -0.08 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 2arj s VAL 191 CO 0.05 -0.84 -0.22 0.42 -0.31 0.00 0.00 175.10 174.20 2arj s THR 192 N -3.92 2.13 -0.19 5.32 -4.23 -1.26 -0.14 115.64 113.35 2arj s THR 192 Ca 0.09 -1.92 -0.17 0.00 -1.18 0.00 0.00 61.69 58.52 2arj s THR 192 Cb 0.07 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.99 2arj s THR 192 CO -0.09 -0.14 0.50 -0.55 -0.54 0.00 0.00 174.62 173.80 2arj s SER 193 N -2.51 -0.53 -0.09 3.99 0.15 -0.71 -4.81 113.70 109.19 2arj s SER 193 Ca 0.17 1.01 0.07 0.00 0.70 0.00 0.00 55.95 57.89 2arj s SER 193 Cb -0.08 1.01 -0.24 0.00 -1.71 0.00 0.00 66.02 65.00 2arj s SER 193 CO 0.08 -0.18 0.48 -1.20 1.20 0.00 0.00 173.24 173.63 2arj n SER 194 N 2.97 1.24 -0.30 5.45 7.64 -1.26 -1.67 113.62 127.69 2arj n SER 194 Ca -0.14 0.29 0.14 0.00 1.01 0.00 0.00 58.87 60.17 2arj n SER 194 Cb 0.57 -0.24 0.64 0.00 -1.01 0.00 0.00 64.21 64.16 2arj n SER 194 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2arj n THR 195 N -3.17 0.03 -0.45 0.44 -2.24 -1.26 -4.83 114.28 102.81 2arj n THR 195 Ca -0.24 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 2arj n THR 195 Cb 1.06 0.10 0.17 0.00 -2.10 0.00 0.00 70.33 69.56 2arj n THR 195 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2arj n TRP 196 N -0.26 -2.74 0.00 4.78 -0.00 -1.26 -0.92 117.44 117.04 2arj n TRP 196 Ca 0.20 -0.19 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 2arj n TRP 196 Cb 0.25 -1.36 0.00 0.00 -0.00 0.00 0.00 31.31 30.20 2arj n TRP 196 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 2arj n PRO 198 N -2.54 0.00 -0.27 5.87 -0.02 -1.26 -4.47 135.00 132.32 2arj n PRO 198 Ca 0.08 0.00 0.25 0.00 -2.02 0.00 0.00 63.50 61.81 2arj n PRO 198 Cb 0.35 0.00 0.60 0.00 -0.02 0.00 0.00 33.50 34.43 2arj n PRO 198 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2arj h SER 199 N 0.00 0.26 -3.52 2.55 4.64 -1.94 -3.30 113.55 112.24 2arj h SER 199 Ca 0.00 0.04 -0.67 0.00 -0.47 0.00 0.00 61.79 60.69 2arj h SER 199 Cb 0.00 -0.01 -0.29 0.00 -0.31 0.00 0.00 62.40 61.79 2arj h SER 199 CO 0.00 0.07 -0.70 -1.10 -0.87 0.00 0.00 176.83 174.23 2arj s GLN 200 N -5.26 3.03 0.45 4.77 -0.21 -0.09 -5.09 119.66 117.25 2arj s GLN 200 Ca -0.07 -0.87 -0.24 0.00 0.02 0.00 0.00 55.36 54.20 2arj s GLN 200 Cb 0.23 -3.11 -0.09 0.00 1.00 0.00 0.00 33.01 31.05 2arj s GLN 200 CO 0.79 -0.37 1.26 2.41 -2.12 0.00 0.00 175.29 177.26 2arj n THR 202 N 4.76 2.82 -4.36 -0.19 -1.04 -1.24 -4.24 114.28 110.79 2arj n THR 202 Ca -0.16 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.09 2arj n THR 202 Cb 0.48 -1.56 -0.17 0.00 -1.82 0.00 0.00 70.33 67.27 2arj n THR 202 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2arj s VAL 203 N -1.24 1.17 -0.03 12.58 -7.23 -1.26 -4.99 120.40 119.40 2arj s VAL 203 Ca 0.64 -0.45 0.03 0.00 -1.81 0.00 0.00 61.98 60.39 2arj s VAL 203 Cb -0.49 -1.10 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 2arj s VAL 203 CO 0.56 0.37 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.72 2arj s THR 204 N 1.03 0.96 -0.12 5.32 2.01 -1.26 -2.47 115.64 121.11 2arj s THR 204 Ca -0.07 -0.47 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 2arj s THR 204 Cb -0.15 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 2arj s THR 204 CO -0.01 0.29 0.16 0.00 -0.69 0.00 0.00 174.62 174.37 2arj s ASN 206 N -0.86 4.27 -0.04 0.00 -0.87 0.11 -1.05 114.94 116.50 2arj s ASN 206 Ca 0.15 -0.49 0.05 0.00 -1.57 0.00 0.00 52.86 51.00 2arj s ASN 206 Cb -0.12 -1.72 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 2arj s ASN 206 CO 0.04 -0.04 -0.20 0.54 -2.57 0.00 0.00 177.10 174.86 2arj s VAL 210 N 1.45 1.66 -0.02 1.60 0.11 0.58 -0.57 120.40 125.21 2arj s VAL 210 Ca 0.05 -0.85 0.08 0.00 -2.93 0.00 0.00 61.98 58.33 2arj s VAL 210 Cb -0.15 -1.41 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 2arj s VAL 210 CO -0.04 0.47 -0.25 0.00 -3.33 0.00 0.00 175.10 171.95 2arj s ALA 211 N -0.09 2.19 -0.34 1.54 0.00 -0.73 -0.76 121.76 123.58 2arj s ALA 211 Ca -0.02 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 2arj s ALA 211 Cb -0.12 -0.58 0.13 0.00 0.00 0.00 0.00 23.12 22.56 2arj s ALA 211 CO 0.02 0.53 0.22 -1.58 0.00 0.00 0.00 175.76 174.95 2arj s HIS 212 N -0.62 0.46 0.34 0.00 2.46 0.11 -1.19 115.29 116.85 2arj s HIS 212 Ca 0.10 -1.31 0.08 0.00 0.47 0.00 0.00 55.06 54.40 2arj s HIS 212 Cb -0.10 -0.83 0.60 0.00 -0.13 0.00 0.00 32.58 32.12 2arj s HIS 212 CO -0.01 -0.85 1.79 -1.35 -2.47 0.00 0.00 174.74 171.86 2arj h PRO 213 N 7.37 0.22 -1.04 2.88 0.11 -1.81 -0.41 132.00 139.32 2arj h PRO 213 Ca -0.00 -0.08 0.27 0.00 0.11 0.00 0.00 66.00 66.30 2arj h PRO 213 Cb 0.99 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 31.97 2arj h PRO 213 CO 0.29 0.50 0.64 0.00 -0.21 0.00 0.00 178.00 179.23 2arj h ALA 214 N 1.50 2.03 -0.21 -0.75 0.00 -1.91 -0.48 119.26 119.43 2arj h ALA 214 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2arj h ALA 214 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2arj h ALA 214 CO 0.05 -0.50 0.00 -1.13 0.00 0.00 0.00 179.25 177.67 2arj n SER 215 N -4.79 2.49 -3.84 0.00 3.41 -0.79 -4.98 113.62 105.11 2arj n SER 215 Ca 0.27 -1.81 -0.28 0.00 -0.26 0.00 0.00 58.87 56.80 2arj n SER 215 Cb 0.86 -0.14 0.03 0.00 -0.26 0.00 0.00 64.21 64.70 2arj n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2arj n SER 216 N 0.44 -4.31 -4.65 4.04 7.64 -0.19 -4.93 113.62 111.65 2arj n SER 216 Ca 0.09 -0.76 -0.37 0.00 1.01 0.00 0.00 58.87 58.84 2arj n SER 216 Cb 0.35 -4.04 -0.10 0.00 -1.01 0.00 0.00 64.21 59.41 2arj n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2arj s THR 217 N -3.37 5.35 -0.11 0.44 2.01 -0.25 -4.96 115.64 114.75 2arj s THR 217 Ca 0.53 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.72 2arj s THR 217 Cb -0.26 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2arj s THR 217 CO 0.82 0.34 -0.12 -0.75 -0.69 0.00 0.00 174.62 174.22 2arj s LYS 218 N 1.10 1.91 -0.09 4.92 2.36 -1.26 0.08 119.74 128.76 2arj s LYS 218 Ca 0.07 -0.43 -0.06 0.00 -2.55 0.00 0.00 55.97 53.00 2arj s LYS 218 Cb -0.14 -1.73 0.04 0.00 -1.05 0.00 0.00 37.83 34.95 2arj s LYS 218 CO 0.05 -0.14 0.23 0.54 1.55 0.00 0.00 175.35 177.58 2arj s VAL 219 N 1.23 -0.02 -0.13 4.02 0.11 0.06 -5.02 120.40 120.64 2arj s VAL 219 Ca -0.03 0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 59.07 2arj s VAL 219 Cb -0.14 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2arj s VAL 219 CO -0.04 0.04 0.02 -1.81 -3.33 0.00 0.00 175.10 169.97 2arj s ASP 220 N 0.76 5.32 -0.12 3.54 1.01 -1.26 -0.31 116.67 125.61 2arj s ASP 220 Ca -0.05 0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.29 2arj s ASP 220 Cb -0.07 -1.73 0.02 0.00 1.01 0.00 0.00 42.92 42.15 2arj s ASP 220 CO -0.05 0.27 -0.12 -1.10 0.21 0.00 0.00 175.17 174.38 2arj s GLN 221 N -0.22 2.02 0.23 8.23 -1.52 -0.21 -4.99 119.66 123.20 2arj s GLN 221 Ca 0.06 -0.46 -0.29 0.00 -1.95 0.00 0.00 55.36 52.72 2arj s GLN 221 Cb -0.12 -1.86 -0.09 0.00 -0.22 0.00 0.00 33.01 30.72 2arj s GLN 221 CO 0.02 -0.18 0.91 0.21 -0.25 0.00 0.00 175.29 175.99 2arj s LYS 222 N 1.37 4.77 -0.69 2.91 2.20 -1.26 -1.39 119.74 127.64 2arj s LYS 222 Ca 0.01 1.40 -0.17 0.00 -0.36 0.00 0.00 55.97 56.85 2arj s LYS 222 Cb -0.13 -3.22 0.15 0.00 -1.51 0.00 0.00 37.83 33.11 2arj s LYS 222 CO -0.07 0.50 0.72 0.42 -0.36 0.00 0.00 175.35 176.56 2arj s ILE 223 N -1.22 5.16 0.31 5.43 1.01 -1.03 -4.79 121.20 126.06 2arj s ILE 223 Ca 0.41 -1.65 0.11 0.00 0.00 0.00 0.00 60.65 59.52 2arj s ILE 223 Cb -0.25 -4.48 -0.06 0.00 0.01 0.00 0.00 42.46 37.69 2arj s ILE 223 CO 0.30 -1.07 -0.13 -0.69 0.00 0.00 0.00 174.94 173.35 2arj s VAL 226 N 1.62 2.47 0.00 2.92 1.01 -1.26 -4.87 120.40 122.30 2arj s VAL 226 Ca 0.14 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 59.85 2arj s VAL 226 Cb -0.19 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2arj s VAL 226 CO -0.01 -0.31 0.00 -2.65 0.00 0.00 0.00 175.10 172.13 2arj n PRO 227 N -0.73 1.84 0.00 2.72 -0.02 -1.26 -4.86 135.00 132.69 2arj n PRO 227 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2arj n PRO 227 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 2arj n PRO 227 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02