#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aaz s VAL 2 N 0.00 4.96 0.10 -0.39 -7.23 -1.26 -4.29 120.40 112.29 3aaz s VAL 2 Ca 0.00 1.09 0.03 0.00 -1.81 0.00 0.00 61.98 61.29 3aaz s VAL 2 Cb 0.00 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.05 3aaz s VAL 2 CO 0.00 0.47 -0.09 0.42 -0.31 0.00 0.00 175.10 175.58 3aaz s THR 3 N -0.43 0.88 0.19 5.32 -4.23 -0.87 -5.00 115.64 111.51 3aaz s THR 3 Ca 0.28 -1.71 0.09 0.00 -1.18 0.00 0.00 61.69 59.16 3aaz s THR 3 Cb -0.17 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3aaz s THR 3 CO 0.15 -0.64 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.66 3aaz s LEU 4 N -2.60 2.48 -0.24 4.79 1.43 -1.26 -1.76 118.68 121.52 3aaz s LEU 4 Ca 0.07 -0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 52.19 3aaz s LEU 4 Cb -0.01 -0.85 0.12 0.00 0.03 0.00 0.00 46.19 45.49 3aaz s LEU 4 CO -0.01 -0.05 0.48 -0.75 0.23 0.00 0.00 176.35 176.26 3aaz s LYS 5 N -3.07 0.42 0.66 1.70 2.20 -0.79 -4.35 119.74 116.50 3aaz s LYS 5 Ca 0.19 1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 56.70 3aaz s LYS 5 Cb -0.05 0.29 -0.00 0.00 -1.51 0.00 0.00 37.83 36.56 3aaz s LYS 5 CO 0.08 -0.38 1.05 -1.21 -0.36 0.00 0.00 175.35 174.52 3aaz s GLU 6 N 2.69 3.09 -0.13 4.03 8.01 -1.26 -1.66 118.70 133.47 3aaz s GLU 6 Ca 0.04 0.48 -0.34 0.00 0.01 0.00 0.00 54.97 55.17 3aaz s GLU 6 Cb -0.13 -2.07 0.13 0.00 -4.31 0.00 0.00 34.13 27.74 3aaz s GLU 6 CO -0.16 -0.85 1.18 -1.54 0.01 0.00 0.00 175.26 173.91 3aaz s SER 7 N -4.30 -0.15 0.00 -0.19 1.04 -0.71 -4.92 113.70 104.48 3aaz s SER 7 Ca 0.56 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.96 3aaz s SER 7 Cb -0.11 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3aaz s SER 7 CO 0.51 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.05 3aaz n GLY 8 N -0.18 0.46 3.69 7.32 0.00 -1.26 -1.72 105.19 113.49 3aaz n GLY 8 Ca -0.02 -1.69 -0.45 0.00 0.00 0.00 0.00 46.02 43.87 3aaz n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3aaz n PRO 9 N -1.60 2.33 0.11 1.61 -0.02 -1.26 -4.88 135.00 131.28 3aaz n PRO 9 Ca 0.00 0.84 0.13 0.00 -2.02 0.00 0.00 63.50 62.44 3aaz n PRO 9 Cb 0.00 -2.61 0.31 0.00 -0.02 0.00 0.00 33.50 31.18 3aaz n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3aaz h THR 10 N 3.57 0.00 -3.38 3.45 1.03 -1.94 -3.46 112.91 112.18 3aaz h THR 10 Ca -0.45 -0.57 -0.30 0.00 -0.01 0.00 0.00 66.41 65.08 3aaz h THR 10 Cb 1.24 1.47 -0.35 0.00 -1.07 0.00 0.00 68.15 69.44 3aaz h THR 10 CO 0.88 0.00 -0.70 -0.22 -0.01 0.00 0.00 175.52 175.48 3aaz s LEU 11 N -4.74 0.70 -0.01 0.00 2.96 -1.26 -1.31 118.68 115.02 3aaz s LEU 11 Ca 0.09 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3aaz s LEU 11 Cb 0.11 0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.84 3aaz s LEU 11 CO 0.64 -0.17 -0.04 0.54 -1.32 0.00 0.00 176.35 176.00 3aaz s VAL 12 N 1.44 0.34 0.46 1.68 0.11 -0.55 -4.99 120.40 118.89 3aaz s VAL 12 Ca -0.05 -0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 58.62 3aaz s VAL 12 Cb -0.12 -0.30 -0.08 0.00 -1.53 0.00 0.00 36.38 34.34 3aaz s VAL 12 CO -0.04 0.11 1.08 -0.54 -3.33 0.00 0.00 175.10 172.38 3aaz s LYS 13 N 0.05 3.85 0.36 1.54 1.02 -1.25 -1.07 119.74 124.24 3aaz s LYS 13 Ca -0.00 1.51 -0.27 0.00 0.02 0.00 0.00 55.97 57.24 3aaz s LYS 13 Cb -0.03 -2.28 -0.12 0.00 -0.52 0.00 0.00 37.83 34.88 3aaz s LYS 13 CO -0.00 -0.42 1.14 -2.30 -0.92 0.00 0.00 175.35 172.85 3aaz n PRO 14 N -0.65 1.70 0.00 -1.68 -0.02 -1.26 -1.79 135.00 131.29 3aaz n PRO 14 Ca 0.08 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3aaz n PRO 14 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3aaz n PRO 14 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3aaz n THR 15 N -0.01 0.00 -2.31 3.45 -1.04 0.28 -4.91 114.28 109.74 3aaz n THR 15 Ca 0.07 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.83 3aaz n THR 15 Cb 0.36 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.98 3aaz n THR 15 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3aaz s GLN 16 N -0.41 1.71 -0.12 -2.82 -0.21 -0.74 -3.60 119.66 113.47 3aaz s GLN 16 Ca 0.00 -0.63 -0.06 0.00 0.02 0.00 0.00 55.36 54.69 3aaz s GLN 16 Cb 0.00 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 3aaz s GLN 16 CO 0.00 -1.52 0.11 0.99 -2.12 0.00 0.00 175.29 172.76 3aaz s THR 17 N -3.31 5.28 -0.16 -0.19 2.01 -1.26 -1.55 115.64 116.46 3aaz s THR 17 Ca 0.65 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.71 3aaz s THR 17 Cb -0.07 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3aaz s THR 17 CO 0.46 0.60 0.06 -0.22 -0.69 0.00 0.00 174.62 174.82 3aaz s LEU 18 N -0.85 3.82 -0.13 4.42 2.96 0.62 -4.97 118.68 124.55 3aaz s LEU 18 Ca 0.14 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 3aaz s LEU 18 Cb -0.12 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3aaz s LEU 18 CO 0.03 0.22 -0.16 0.28 -1.32 0.00 0.00 176.35 175.41 3aaz s THR 19 N 0.06 1.62 0.06 3.68 -1.32 -1.26 -0.31 115.64 118.17 3aaz s THR 19 Ca 0.05 -0.70 0.06 0.00 -1.21 0.00 0.00 61.69 59.90 3aaz s THR 19 Cb -0.12 -1.48 -0.04 0.00 -1.51 0.00 0.00 72.50 69.35 3aaz s THR 19 CO 0.01 0.47 -0.13 -0.76 -2.21 0.00 0.00 174.62 171.99 3aaz s LEU 20 N 1.12 2.87 0.09 9.08 1.02 0.69 -4.34 118.68 129.20 3aaz s LEU 20 Ca -0.03 -0.37 0.08 0.00 0.02 0.00 0.00 54.13 53.83 3aaz s LEU 20 Cb -0.14 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 3aaz s LEU 20 CO -0.05 0.23 -0.20 -0.89 0.02 0.00 0.00 176.35 175.46 3aaz s THR 21 N -1.05 1.62 -0.17 5.49 2.01 -0.70 -0.67 115.64 122.16 3aaz s THR 21 Ca 0.18 -1.44 -0.01 0.00 0.31 0.00 0.00 61.69 60.73 3aaz s THR 21 Cb -0.11 -1.47 0.05 0.00 0.01 0.00 0.00 72.50 70.98 3aaz s THR 21 CO 0.09 -0.03 -0.03 0.00 -0.69 0.00 0.00 174.62 173.96 3aaz s THR 23 N 1.68 5.31 -0.03 0.00 2.01 -0.66 -1.67 115.64 122.28 3aaz s THR 23 Ca -0.00 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.48 3aaz s THR 23 Cb -0.16 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 3aaz s THR 23 CO -0.07 0.55 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.04 3aaz s PHE 24 N -0.69 3.06 0.12 4.92 0.40 -0.97 -1.89 117.98 122.92 3aaz s PHE 24 Ca 0.18 0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.66 3aaz s PHE 24 Cb -0.14 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 3aaz s PHE 24 CO 0.07 0.44 -0.16 -1.12 0.70 0.00 0.00 175.22 175.14 3aaz s SER 25 N -1.28 2.22 0.00 1.36 0.01 -0.72 -4.83 113.70 110.45 3aaz s SER 25 Ca 0.17 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.65 3aaz s SER 25 Cb -0.11 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.02 3aaz s SER 25 CO 0.07 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.26 3aaz n GLY 26 N 0.67 0.67 3.48 3.44 0.00 -1.26 -2.05 105.19 110.15 3aaz n GLY 26 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 3aaz n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3aaz s PHE 27 N -2.19 -0.59 -0.30 1.61 -0.71 -1.26 -4.80 117.98 109.74 3aaz s PHE 27 Ca 0.00 0.98 -0.22 0.00 -1.04 0.00 0.00 56.93 56.66 3aaz s PHE 27 Cb 0.00 0.37 -0.00 0.00 -1.21 0.00 0.00 43.02 42.17 3aaz s PHE 27 CO 0.00 -0.58 0.70 0.45 -1.34 0.00 0.00 175.22 174.45 3aaz s SER 28 N -1.25 6.57 0.63 1.98 0.15 -1.26 -4.95 113.70 115.58 3aaz s SER 28 Ca -0.11 0.53 -0.15 0.00 0.70 0.00 0.00 55.95 56.93 3aaz s SER 28 Cb -0.01 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 3aaz s SER 28 CO 0.09 -0.54 1.08 -0.76 1.20 0.00 0.00 173.24 174.31 3aaz s LEU 29 N 2.76 3.40 0.00 3.45 1.43 -1.26 -2.76 118.68 125.71 3aaz s LEU 29 Ca 0.28 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 3aaz s LEU 29 Cb -0.15 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.54 3aaz s LEU 29 CO 0.12 -1.40 0.00 -1.14 0.23 0.00 0.00 176.35 174.16 3aaz n ARG 30 N -2.34 0.00 0.00 1.70 0.63 -1.26 -4.78 116.66 110.61 3aaz n ARG 30 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3aaz n ARG 30 Cb 0.53 -0.06 0.00 0.00 0.45 0.00 0.00 32.46 33.37 3aaz n ARG 30 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3aaz n THR 31 N -0.79 0.00 -3.61 5.15 -1.04 -1.19 -5.09 114.28 107.71 3aaz n THR 31 Ca 0.00 -0.26 -0.25 0.00 -2.04 0.00 0.00 64.05 61.51 3aaz n THR 31 Cb 0.00 1.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.49 3aaz n THR 31 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3aaz s SER 32 N -0.52 6.34 0.00 8.00 0.15 -1.11 -5.03 113.70 121.52 3aaz s SER 32 Ca 0.00 0.37 0.23 0.00 0.70 0.00 0.00 55.95 57.24 3aaz s SER 32 Cb 0.00 -1.99 0.49 0.00 -1.71 0.00 0.00 66.02 62.80 3aaz s SER 32 CO 0.00 -0.16 1.43 0.54 1.20 0.00 0.00 173.24 176.25 3aaz n ARG 33 N -1.29 2.28 -2.28 5.44 5.12 -1.26 -4.85 116.66 119.82 3aaz n ARG 33 Ca -0.05 -1.92 -0.35 0.00 -1.93 0.00 0.00 57.85 53.59 3aaz n ARG 33 Cb 0.55 -1.48 -0.00 0.00 -1.16 0.00 0.00 32.46 30.37 3aaz n ARG 33 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3aaz s VAL 34 N -1.65 3.23 0.53 1.55 -7.23 -1.26 -4.30 120.40 111.27 3aaz s VAL 34 Ca 0.36 0.76 0.02 0.00 -1.81 0.00 0.00 61.98 61.31 3aaz s VAL 34 Cb 0.21 -3.31 0.03 0.00 0.56 0.00 0.00 36.38 33.88 3aaz s VAL 34 CO 0.30 -0.17 0.75 -0.83 -0.31 0.00 0.00 175.10 174.84 3aaz s GLY 35 N -1.80 1.85 -0.12 2.32 0.00 -0.90 -3.50 107.32 105.17 3aaz s GLY 35 Ca 0.72 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 44.02 3aaz s GLY 35 CO 0.26 -1.11 0.25 0.14 0.00 0.00 0.00 173.10 172.64 3aaz s VAL 36 N -2.70 -0.28 0.20 1.40 1.01 0.12 -1.54 120.40 118.60 3aaz s VAL 36 Ca 0.57 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.86 3aaz s VAL 36 Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 3aaz s VAL 36 CO 0.38 0.10 0.14 -0.44 0.00 0.00 0.00 175.10 175.28 3aaz s SER 37 N 2.05 5.42 -0.12 3.32 0.01 -0.35 -0.90 113.70 123.13 3aaz s SER 37 Ca -0.02 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.02 3aaz s SER 37 Cb -0.12 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 3aaz s SER 37 CO -0.08 0.04 -0.07 0.26 0.41 0.00 0.00 173.24 173.79 3aaz s TRP 38 N -1.88 2.94 0.01 2.43 0.52 -0.28 -1.23 118.94 121.45 3aaz s TRP 38 Ca 0.31 -0.26 0.05 0.00 0.02 0.00 0.00 56.10 56.23 3aaz s TRP 38 Cb -0.09 -1.84 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 3aaz s TRP 38 CO 0.23 0.06 -0.17 0.42 0.02 0.00 0.00 176.95 177.52 3aaz s ILE 39 N -0.07 1.31 0.22 2.03 1.01 0.24 -0.81 121.20 125.13 3aaz s ILE 39 Ca 0.00 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3aaz s ILE 39 Cb -0.13 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 3aaz s ILE 39 CO 0.03 0.24 -0.18 0.00 0.00 0.00 0.00 174.94 175.03 3aaz s ARG 40 N -0.74 1.44 -0.21 2.79 1.70 0.51 0.13 118.95 124.57 3aaz s ARG 40 Ca 0.05 -1.60 -0.03 0.00 -0.47 0.00 0.00 55.73 53.68 3aaz s ARG 40 Cb -0.07 -1.44 0.07 0.00 -0.57 0.00 0.00 34.95 32.94 3aaz s ARG 40 CO 0.00 0.27 0.06 -1.14 -1.08 0.00 0.00 175.30 173.42 3aaz s GLN 41 N -3.31 0.47 0.75 3.89 0.74 0.13 0.01 119.66 122.34 3aaz s GLN 41 Ca 0.23 -0.42 -0.12 0.00 0.05 0.00 0.00 55.36 55.10 3aaz s GLN 41 Cb -0.04 -1.94 0.05 0.00 1.10 0.00 0.00 33.01 32.18 3aaz s GLN 41 CO 0.10 -0.72 1.11 -2.14 -0.55 0.00 0.00 175.29 173.09 3aaz s PRO 42 N 1.93 2.27 0.02 1.67 0.02 -1.26 -0.75 135.00 138.90 3aaz s PRO 42 Ca 0.02 1.32 -0.33 0.00 0.02 0.00 0.00 61.00 62.03 3aaz s PRO 42 Cb -0.17 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 3aaz s PRO 42 CO -0.13 -1.65 1.82 -0.35 -0.33 0.00 0.00 177.00 176.36 3aaz n PRO 43 N -3.21 2.38 -1.54 5.54 -0.04 -1.26 -0.85 135.00 136.02 3aaz n PRO 43 Ca 0.10 0.87 -0.14 0.00 -0.04 0.00 0.00 63.50 64.29 3aaz n PRO 43 Cb 0.52 -2.72 -0.05 0.00 -0.04 0.00 0.00 33.50 31.21 3aaz n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3aaz n GLY 44 N 4.17 1.19 3.63 0.55 0.00 -1.26 -5.00 105.19 108.47 3aaz n GLY 44 Ca 0.20 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3aaz n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aaz s LYS 45 N -3.43 1.99 0.95 1.61 -0.14 -0.03 -5.15 119.74 115.54 3aaz s LYS 45 Ca 0.00 -2.05 -0.11 0.00 -1.36 0.00 0.00 55.97 52.45 3aaz s LYS 45 Cb 0.00 -1.70 0.16 0.00 -1.68 0.00 0.00 37.83 34.61 3aaz s LYS 45 CO 0.00 -0.04 1.09 0.00 -0.76 0.00 0.00 175.35 175.64 3aaz s ALA 46 N -2.68 1.13 0.28 5.17 0.00 -1.26 -4.57 121.76 119.82 3aaz s ALA 46 Ca 0.36 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 3aaz s ALA 46 Cb 0.08 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3aaz s ALA 46 CO 0.19 -2.75 0.99 -0.51 0.00 0.00 0.00 175.76 173.68 3aaz s LEU 47 N -6.52 4.54 -0.10 0.00 1.43 -1.26 -4.32 118.68 112.44 3aaz s LEU 47 Ca 0.65 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.79 3aaz s LEU 47 Cb -0.21 -3.73 0.01 0.00 0.03 0.00 0.00 46.19 42.30 3aaz s LEU 47 CO 0.59 -0.00 -0.15 -0.70 0.23 0.00 0.00 176.35 176.31 3aaz s GLU 48 N -1.49 2.19 0.18 1.70 2.12 0.10 -4.98 118.70 118.51 3aaz s GLU 48 Ca 0.45 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 54.92 3aaz s GLU 48 Cb -0.26 -1.82 -0.07 0.00 0.26 0.00 0.00 34.13 32.24 3aaz s GLU 48 CO 0.33 -0.02 0.99 -0.46 -0.54 0.00 0.00 175.26 175.56 3aaz s TRP 49 N 0.85 3.81 -0.18 5.30 -0.00 -1.26 -0.36 118.94 127.09 3aaz s TRP 49 Ca -0.10 1.79 -0.07 0.00 -0.00 0.00 0.00 56.10 57.73 3aaz s TRP 49 Cb -0.15 -3.09 -0.09 0.00 -0.00 0.00 0.00 33.47 30.14 3aaz s TRP 49 CO 0.01 0.07 -0.22 1.28 -0.00 0.00 0.00 176.95 178.09 3aaz n LEU 50 N 2.16 1.69 -3.60 5.86 4.77 0.01 -4.61 117.00 123.27 3aaz n LEU 50 Ca 0.01 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3aaz n LEU 50 Cb 0.48 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3aaz n LEU 50 CO 0.51 0.48 0.88 0.00 -1.33 0.00 0.00 177.39 177.94 3aaz s ALA 51 N -2.34 -1.99 0.07 -1.18 0.00 -1.21 -0.51 121.76 114.59 3aaz s ALA 51 Ca -0.26 1.69 0.05 0.00 0.00 0.00 0.00 51.96 53.45 3aaz s ALA 51 Cb 0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3aaz s ALA 51 CO 0.35 -0.28 -0.14 -1.58 0.00 0.00 0.00 175.76 174.11 3aaz s HIS 52 N -0.92 1.20 -0.05 0.00 2.46 -0.69 -1.12 115.29 116.17 3aaz s HIS 52 Ca 0.02 -0.46 0.02 0.00 0.47 0.00 0.00 55.06 55.10 3aaz s HIS 52 Cb -0.01 -0.68 0.02 0.00 -0.13 0.00 0.00 32.58 31.78 3aaz s HIS 52 CO -0.02 0.05 -0.08 -1.50 -2.47 0.00 0.00 174.74 170.73 3aaz s ILE 53 N -1.29 0.76 0.61 0.89 2.07 -0.08 -1.78 121.20 122.38 3aaz s ILE 53 Ca -0.02 -0.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.96 3aaz s ILE 53 Cb -0.10 -0.73 0.06 0.00 0.13 0.00 0.00 42.46 41.82 3aaz s ILE 53 CO 0.02 0.27 0.85 -0.31 -1.91 0.00 0.00 174.94 173.86 3aaz s TYR 54 N 0.73 2.41 0.61 3.50 1.51 -0.85 -0.70 117.35 124.55 3aaz s TYR 54 Ca -0.12 -0.12 0.33 0.00 -1.01 0.00 0.00 57.07 56.15 3aaz s TYR 54 Cb -0.14 -2.81 1.96 0.00 -0.11 0.00 0.00 41.96 40.85 3aaz s TYR 54 CO 0.02 -1.15 2.28 0.11 -1.11 0.00 0.00 175.55 175.69 3aaz h TRP 55 N -0.12 0.00 -0.58 2.71 5.08 -1.74 -2.75 115.95 118.55 3aaz h TRP 55 Ca -0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.57 3aaz h TRP 55 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3aaz h TRP 55 CO 0.20 0.00 0.00 -0.40 -1.28 0.00 0.00 178.44 176.96 3aaz n ASP 56 N -3.67 3.21 0.00 0.11 3.85 -1.26 -4.91 116.55 113.88 3aaz n ASP 56 Ca -0.03 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 3aaz n ASP 56 Cb 0.09 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 3aaz n ASP 56 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3aaz n ASP 57 N 1.16 -0.25 -4.74 -1.12 10.43 -1.04 -5.04 116.55 115.96 3aaz n ASP 57 Ca 0.20 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.19 3aaz n ASP 57 Cb 0.52 -0.19 0.05 0.00 1.84 0.00 0.00 41.12 43.34 3aaz n ASP 57 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3aaz s ASP 58 N -2.87 4.89 -0.02 -2.24 2.15 -1.26 -4.88 116.67 112.45 3aaz s ASP 58 Ca 0.00 2.48 -0.03 0.00 0.43 0.00 0.00 52.55 55.42 3aaz s ASP 58 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3aaz s ASP 58 CO 0.00 -1.80 0.08 -0.54 -0.17 0.00 0.00 175.17 172.74 3aaz s LYS 59 N -3.39 0.20 0.17 4.34 1.02 -1.26 -2.02 119.74 118.81 3aaz s LYS 59 Ca 0.79 -0.08 0.06 0.00 0.02 0.00 0.00 55.97 56.76 3aaz s LYS 59 Cb -0.33 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 3aaz s LYS 59 CO 0.36 -0.04 -0.12 1.03 -0.92 0.00 0.00 175.35 175.67 3aaz s ARG 60 N -0.44 1.18 -0.06 1.68 1.81 -0.73 -4.99 118.95 117.40 3aaz s ARG 60 Ca -0.05 -1.50 -0.10 0.00 -1.72 0.00 0.00 55.73 52.35 3aaz s ARG 60 Cb -0.03 -0.86 0.02 0.00 -0.45 0.00 0.00 34.95 33.63 3aaz s ARG 60 CO 0.00 0.13 0.26 0.71 -0.68 0.00 0.00 175.30 175.72 3aaz s TYR 61 N -3.11 -0.21 -0.20 -0.53 2.02 -1.26 -1.70 117.35 112.36 3aaz s TYR 61 Ca 0.19 0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 57.04 3aaz s TYR 61 Cb 0.01 0.07 -0.08 0.00 -0.40 0.00 0.00 41.96 41.56 3aaz s TYR 61 CO 0.03 -0.23 2.14 -1.71 -1.57 0.00 0.00 175.55 174.21 3aaz n ASN 62 N 2.26 3.13 -0.35 2.29 2.85 0.34 -4.86 115.26 120.92 3aaz n ASN 62 Ca -0.17 0.45 0.24 0.00 -0.11 0.00 0.00 54.58 54.99 3aaz n ASN 62 Cb 0.57 -1.46 0.49 0.00 1.24 0.00 0.00 39.78 40.62 3aaz n ASN 62 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3aaz h PRO 63 N 13.06 0.35 -0.09 1.20 0.11 -1.95 0.22 132.00 144.91 3aaz h PRO 63 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3aaz h PRO 63 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3aaz h PRO 63 CO 0.97 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.86 3aaz n SER 64 N -4.89 1.36 0.00 -2.05 3.41 -1.26 -3.68 113.62 106.51 3aaz n SER 64 Ca 0.30 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 3aaz n SER 64 Cb 0.97 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 3aaz n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3aaz n LEU 65 N 0.09 0.00 -0.01 1.04 4.77 0.56 -4.88 117.00 118.58 3aaz n LEU 65 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3aaz n LEU 65 Cb 0.30 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3aaz n LEU 65 CO 0.14 0.00 0.02 1.17 -1.33 0.00 0.00 177.39 177.39 3aaz n LYS 66 N -1.14 -0.00 0.10 3.23 4.81 0.10 0.57 118.16 125.82 3aaz n LYS 66 Ca 0.00 0.05 0.11 0.00 -0.87 0.00 0.00 58.31 57.60 3aaz n LYS 66 Cb 0.02 -0.07 0.45 0.00 0.02 0.00 0.00 35.03 35.45 3aaz n LYS 66 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3aaz n SER 67 N -3.95 0.54 -0.00 3.14 3.41 -1.26 -1.95 113.62 113.54 3aaz n SER 67 Ca 0.01 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 3aaz n SER 67 Cb 0.02 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 63.14 3aaz n SER 67 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3aaz n ARG 68 N -2.08 1.89 -3.98 4.33 1.74 0.19 -4.97 116.66 113.78 3aaz n ARG 68 Ca 0.03 -0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.74 3aaz n ARG 68 Cb 0.25 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 3aaz n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3aaz s LEU 69 N -2.77 4.17 -0.05 0.55 1.43 -0.82 -2.15 118.68 119.03 3aaz s LEU 69 Ca 0.05 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 3aaz s LEU 69 Cb 0.12 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.33 3aaz s LEU 69 CO 0.63 0.37 -0.12 -0.89 0.23 0.00 0.00 176.35 176.58 3aaz s THR 70 N -0.81 1.05 -0.02 5.49 2.01 -0.20 -4.93 115.64 118.23 3aaz s THR 70 Ca 0.13 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.70 3aaz s THR 70 Cb -0.12 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 3aaz s THR 70 CO 0.03 0.33 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.71 3aaz s ILE 71 N 0.49 3.63 0.35 1.82 2.07 -1.26 -0.86 121.20 127.43 3aaz s ILE 71 Ca -0.10 -0.70 -0.04 0.00 -1.41 0.00 0.00 60.65 58.40 3aaz s ILE 71 Cb -0.14 -2.54 0.01 0.00 0.13 0.00 0.00 42.46 39.92 3aaz s ILE 71 CO 0.02 0.46 0.51 -0.94 -1.91 0.00 0.00 174.94 173.08 3aaz s SER 72 N -1.23 0.81 -0.08 4.50 1.04 -0.01 -4.99 113.70 113.75 3aaz s SER 72 Ca 0.16 -1.44 -0.03 0.00 0.48 0.00 0.00 55.95 55.11 3aaz s SER 72 Cb -0.11 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.73 3aaz s SER 72 CO 0.06 -1.33 0.17 -0.75 0.98 0.00 0.00 173.24 172.36 3aaz s LYS 73 N -3.00 0.12 -0.53 4.02 2.20 -1.26 -1.33 119.74 119.96 3aaz s LYS 73 Ca 0.29 0.41 0.04 0.00 -0.36 0.00 0.00 55.97 56.35 3aaz s LYS 73 Cb -0.01 -0.16 0.13 0.00 -1.51 0.00 0.00 37.83 36.28 3aaz s LYS 73 CO 0.19 -0.16 0.27 0.34 -0.36 0.00 0.00 175.35 175.63 3aaz s ASP 74 N 1.18 4.32 0.00 1.43 -1.08 -0.49 -4.97 116.67 117.06 3aaz s ASP 74 Ca -0.09 -3.04 0.14 0.00 -0.52 0.00 0.00 52.55 49.04 3aaz s ASP 74 Cb -0.11 -1.63 0.62 0.00 -1.46 0.00 0.00 42.92 40.34 3aaz s ASP 74 CO -0.07 -0.23 1.45 0.35 0.52 0.00 0.00 175.17 177.20 3aaz n THR 75 N 3.07 0.99 0.09 1.71 -2.24 -1.26 -1.41 114.28 115.22 3aaz n THR 75 Ca 0.06 0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 62.04 3aaz n THR 75 Cb 0.32 -1.00 0.12 0.00 -2.10 0.00 0.00 70.33 67.67 3aaz n THR 75 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3aaz h SER 76 N 0.00 0.24 -0.23 3.42 4.64 -1.93 -2.94 113.55 116.76 3aaz h SER 76 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3aaz h SER 76 Cb 0.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3aaz h SER 76 CO 0.00 0.79 0.00 0.29 -0.87 0.00 0.00 176.83 177.04 3aaz n LYS 77 N -3.86 1.92 -3.65 4.77 4.76 -1.04 -5.01 118.16 116.06 3aaz n LYS 77 Ca -0.02 -1.83 -0.25 0.00 -2.87 0.00 0.00 58.31 53.34 3aaz n LYS 77 Cb 0.62 -1.35 0.07 0.00 -1.84 0.00 0.00 35.03 32.53 3aaz n LYS 77 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3aaz n ASN 78 N 0.96 -5.74 -4.36 4.39 5.15 -0.50 -4.80 115.26 110.36 3aaz n ASN 78 Ca 0.13 -0.59 -0.22 0.00 -0.60 0.00 0.00 54.58 53.29 3aaz n ASN 78 Cb 0.45 -4.82 -0.11 0.00 -0.53 0.00 0.00 39.78 34.77 3aaz n ASN 78 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3aaz s GLN 79 N -6.31 1.34 -0.09 1.20 -0.21 -0.84 -2.30 119.66 112.45 3aaz s GLN 79 Ca 0.55 -1.46 0.02 0.00 0.02 0.00 0.00 55.36 54.50 3aaz s GLN 79 Cb -0.25 -1.42 -0.02 0.00 1.00 0.00 0.00 33.01 32.32 3aaz s GLN 79 CO 0.75 0.29 -0.17 0.08 -2.12 0.00 0.00 175.29 174.12 3aaz s VAL 80 N -2.07 2.77 0.02 1.09 1.01 -0.67 -1.39 120.40 121.17 3aaz s VAL 80 Ca 0.18 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3aaz s VAL 80 Cb -0.06 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3aaz s VAL 80 CO 0.08 0.55 -0.12 -0.69 0.00 0.00 0.00 175.10 174.92 3aaz s VAL 81 N -0.03 3.27 -0.12 2.92 1.01 -0.44 -1.38 120.40 125.62 3aaz s VAL 81 Ca -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3aaz s VAL 81 Cb -0.14 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.84 3aaz s VAL 81 CO 0.04 0.35 -0.17 -0.22 0.00 0.00 0.00 175.10 175.11 3aaz s LEU 82 N -1.47 1.82 -0.10 3.92 2.96 0.16 -0.83 118.68 125.13 3aaz s LEU 82 Ca 0.16 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 3aaz s LEU 82 Cb -0.11 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 3aaz s LEU 82 CO 0.07 0.02 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.20 3aaz s THR 83 N 1.03 3.99 -0.09 3.68 2.01 -0.04 -0.22 115.64 125.99 3aaz s THR 83 Ca -0.05 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 3aaz s THR 83 Cb -0.15 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.71 3aaz s THR 83 CO -0.03 0.57 -0.00 -0.32 -0.69 0.00 0.00 174.62 174.14 3aaz s MET 84 N -0.45 0.69 0.59 4.92 1.75 0.58 -1.04 119.30 126.34 3aaz s MET 84 Ca 0.07 0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.54 3aaz s MET 84 Cb -0.12 -1.16 0.05 0.00 2.84 0.00 0.00 34.83 36.44 3aaz s MET 84 CO 0.02 -0.34 0.83 0.95 -0.65 0.00 0.00 175.02 175.83 3aaz s THR 85 N 1.94 2.53 -1.41 10.11 -4.23 -0.91 -0.28 115.64 123.39 3aaz s THR 85 Ca 0.04 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 3aaz s THR 85 Cb -0.13 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3aaz s THR 85 CO -0.06 0.00 0.40 0.59 -0.54 0.00 0.00 174.62 175.01 3aaz n ASN 86 N -2.47 -0.42 -4.75 3.99 4.13 -1.18 -4.89 115.26 109.67 3aaz n ASN 86 Ca 0.09 -1.04 -0.41 0.00 1.68 0.00 0.00 54.58 54.91 3aaz n ASN 86 Cb 0.60 -2.92 0.01 0.00 -1.54 0.00 0.00 39.78 35.93 3aaz n ASN 86 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3aaz n MET 87 N -4.42 2.32 -4.26 3.52 2.81 -0.59 -4.54 117.12 111.96 3aaz n MET 87 Ca -0.30 0.82 -0.19 0.00 -1.81 0.00 0.00 57.70 56.22 3aaz n MET 87 Cb 0.68 -2.59 -0.11 0.00 -0.71 0.00 0.00 33.22 30.49 3aaz n MET 87 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3aaz s ASP 88 N -0.37 2.13 0.59 7.83 3.68 -1.26 0.10 116.67 129.37 3aaz s ASP 88 Ca 0.58 -0.81 0.29 0.00 2.13 0.00 0.00 52.55 54.75 3aaz s ASP 88 Cb -0.47 -0.09 1.53 0.00 -1.45 0.00 0.00 42.92 42.44 3aaz s ASP 88 CO 0.60 -0.11 1.95 -0.65 0.13 0.00 0.00 175.17 177.09 3aaz h PRO 89 N 3.52 0.00 0.00 4.34 0.11 -1.95 0.39 132.00 138.42 3aaz h PRO 89 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3aaz h PRO 89 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3aaz h PRO 89 CO 0.50 0.00 0.00 1.55 -0.21 0.00 0.00 178.00 179.84 3aaz n VAL 90 N -3.70 0.27 1.08 3.15 3.14 -1.26 -2.60 118.33 118.41 3aaz n VAL 90 Ca 0.06 0.07 0.12 0.00 -2.96 0.00 0.00 64.34 61.63 3aaz n VAL 90 Cb 0.56 -0.70 0.19 0.00 -1.06 0.00 0.00 33.84 32.83 3aaz n VAL 90 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3aaz n ASP 91 N -1.25 0.95 -4.68 6.55 8.00 0.14 -4.89 116.55 121.37 3aaz n ASP 91 Ca 0.11 -0.75 -0.50 0.00 0.71 0.00 0.00 54.79 54.37 3aaz n ASP 91 Cb 0.16 0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 3aaz n ASP 91 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3aaz n THR 92 N -1.04 0.44 -3.77 -3.53 -1.04 -1.07 -4.92 114.28 99.35 3aaz n THR 92 Ca 0.08 -0.08 0.02 0.00 -2.04 0.00 0.00 64.05 62.04 3aaz n THR 92 Cb 0.36 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 3aaz n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3aaz s ALA 93 N 3.43 -2.39 -0.15 2.41 0.00 -0.15 -4.41 121.76 120.49 3aaz s ALA 93 Ca 0.91 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 53.14 3aaz s ALA 93 Cb -0.76 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3aaz s ALA 93 CO 0.52 -1.10 0.56 0.99 0.00 0.00 0.00 175.76 176.73 3aaz s THR 94 N -2.19 5.10 -0.23 0.00 2.01 0.07 -0.89 115.64 119.53 3aaz s THR 94 Ca 0.21 1.09 -0.08 0.00 0.31 0.00 0.00 61.69 63.21 3aaz s THR 94 Cb 0.03 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3aaz s THR 94 CO -0.03 0.22 0.09 -0.31 -0.69 0.00 0.00 174.62 173.90 3aaz s TYR 95 N 1.24 3.17 -0.02 4.92 2.02 0.31 0.20 117.35 129.19 3aaz s TYR 95 Ca 0.28 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 3aaz s TYR 95 Cb -0.16 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 3aaz s TYR 95 CO 0.11 -0.12 -0.07 0.71 -1.57 0.00 0.00 175.55 174.61 3aaz s TYR 96 N 1.15 2.90 -0.19 2.71 2.02 0.34 -1.28 117.35 125.00 3aaz s TYR 96 Ca 0.05 -0.02 -0.14 0.00 -0.37 0.00 0.00 57.07 56.59 3aaz s TYR 96 Cb -0.14 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3aaz s TYR 96 CO 0.04 0.36 0.29 0.00 -1.57 0.00 0.00 175.55 174.66 3aaz s ALA 98 N 0.89 0.52 0.11 0.00 0.00 -0.36 -1.88 121.76 121.03 3aaz s ALA 98 Ca 0.15 0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.87 3aaz s ALA 98 Cb -0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 3aaz s ALA 98 CO 0.05 -0.13 0.83 0.50 0.00 0.00 0.00 175.76 177.01 3aaz s ARG 99 N 1.18 4.60 -0.41 0.00 3.52 -0.44 -1.21 118.95 126.20 3aaz s ARG 99 Ca -0.07 1.22 -0.09 0.00 -0.13 0.00 0.00 55.73 56.66 3aaz s ARG 99 Cb -0.14 -3.33 0.07 0.00 -1.56 0.00 0.00 34.95 29.99 3aaz s ARG 99 CO -0.02 0.36 0.24 0.50 -0.81 0.00 0.00 175.30 175.57 3aaz s ARG 100 N -0.40 2.59 0.36 5.12 3.52 -0.59 -0.92 118.95 128.62 3aaz s ARG 100 Ca 0.40 -1.43 0.07 0.00 -0.13 0.00 0.00 55.73 54.64 3aaz s ARG 100 Cb -0.22 -3.74 -0.01 0.00 -1.56 0.00 0.00 34.95 29.42 3aaz s ARG 100 CO 0.26 -0.92 0.47 0.20 -0.81 0.00 0.00 175.30 174.50 3aaz s GLY 101 N 2.02 1.72 0.12 8.12 0.00 -0.27 -2.11 107.32 116.91 3aaz s GLY 101 Ca 0.03 -1.55 0.11 0.00 0.00 0.00 0.00 44.72 43.31 3aaz s GLY 101 CO 0.02 -1.44 -0.26 -1.36 0.00 0.00 0.00 173.10 170.06 3aaz s PHE 102 N -2.24 2.27 -0.02 1.90 0.08 -1.26 -2.59 117.98 116.12 3aaz s PHE 102 Ca 0.47 -0.39 -0.05 0.00 0.12 0.00 0.00 56.93 57.08 3aaz s PHE 102 Cb -0.09 -1.24 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 3aaz s PHE 102 CO 0.31 0.30 0.12 0.71 -0.10 0.00 0.00 175.22 176.56 3aaz s TYR 103 N -1.04 -0.03 0.00 0.36 2.02 -0.34 -5.01 117.35 113.31 3aaz s TYR 103 Ca 0.13 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 3aaz s TYR 103 Cb -0.10 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.45 3aaz s TYR 103 CO 0.05 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.27 3aaz n GLY 104 N 2.24 0.42 0.12 0.71 0.00 -1.26 -2.62 105.19 104.79 3aaz n GLY 104 Ca -0.18 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 3aaz n GLY 104 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3aaz h ARG 105 N 0.00 0.00 -0.87 1.61 2.43 -2.00 -2.53 114.38 113.01 3aaz h ARG 105 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 3aaz h ARG 105 Cb 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.35 3aaz h ARG 105 CO 0.00 0.69 0.43 1.63 -1.51 0.00 0.00 179.97 181.20 3aaz n LYS 106 N -3.46 2.99 -1.79 0.20 4.76 -1.26 -4.93 118.16 114.67 3aaz n LYS 106 Ca 0.00 -2.89 -0.20 0.00 -2.87 0.00 0.00 58.31 52.35 3aaz n LYS 106 Cb 0.74 -2.15 -0.07 0.00 -1.84 0.00 0.00 35.03 31.71 3aaz n LYS 106 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3aaz n TYR 107 N -0.53 -0.30 0.29 2.13 4.01 -0.95 -4.88 117.16 116.92 3aaz n TYR 107 Ca 0.47 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.35 3aaz n TYR 107 Cb 1.47 -3.50 0.68 0.00 -0.31 0.00 0.00 39.34 37.68 3aaz n TYR 107 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 3aaz h GLU 108 N 0.00 0.00 -5.04 -0.72 9.09 -1.74 -3.42 114.58 112.75 3aaz h GLU 108 Ca -0.43 0.00 -0.44 0.00 0.05 0.00 0.00 59.36 58.54 3aaz h GLU 108 Cb 1.32 0.00 -0.29 0.00 -1.65 0.00 0.00 28.75 28.13 3aaz h GLU 108 CO 0.59 0.00 -0.80 0.14 0.05 0.00 0.00 179.01 178.99 3aaz s VAL 109 N -3.60 0.93 0.06 -1.06 -7.23 -1.08 -5.03 120.40 103.40 3aaz s VAL 109 Ca -0.00 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 3aaz s VAL 109 Cb 0.09 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 3aaz s VAL 109 CO 0.35 0.26 -0.07 0.54 -0.31 0.00 0.00 175.10 175.88 3aaz s ASN 110 N -0.28 0.88 -0.16 4.85 2.20 -1.26 -1.20 114.94 119.98 3aaz s ASN 110 Ca 0.05 -0.75 -0.34 0.00 -0.94 0.00 0.00 52.86 50.87 3aaz s ASN 110 Cb -0.05 0.08 0.13 0.00 -2.00 0.00 0.00 41.25 39.41 3aaz s ASN 110 CO -0.00 -0.34 1.15 -1.38 -2.94 0.00 0.00 177.10 173.59 3aaz s HIS 111 N -2.43 -0.17 0.26 1.54 -3.43 -1.07 -5.00 115.29 104.98 3aaz s HIS 111 Ca -0.01 0.12 -0.30 0.00 -0.80 0.00 0.00 55.06 54.07 3aaz s HIS 111 Cb -0.03 0.52 -0.10 0.00 -1.43 0.00 0.00 32.58 31.54 3aaz s HIS 111 CO -0.02 -0.26 1.37 -0.06 -2.00 0.00 0.00 174.74 173.76 3aaz s PHE 112 N -2.46 3.10 0.00 0.38 0.08 -1.26 -1.11 117.98 116.70 3aaz s PHE 112 Ca 0.08 1.19 0.00 0.00 0.12 0.00 0.00 56.93 58.32 3aaz s PHE 112 Cb -0.01 -3.72 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 3aaz s PHE 112 CO -0.05 -2.22 0.00 -0.40 -0.10 0.00 0.00 175.22 172.45 3aaz n ASP 113 N 2.02 0.00 -4.75 1.36 3.85 -0.10 -4.89 116.55 114.04 3aaz n ASP 113 Ca 0.05 0.00 -0.40 0.00 -0.71 0.00 0.00 54.79 53.72 3aaz n ASP 113 Cb 0.41 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.14 3aaz n ASP 113 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3aaz s TYR 114 N 0.00 3.68 0.15 2.11 2.02 -1.26 -4.87 117.35 119.18 3aaz s TYR 114 Ca 0.00 1.72 0.10 0.00 -0.37 0.00 0.00 57.07 58.52 3aaz s TYR 114 Cb 0.00 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.31 3aaz s TYR 114 CO 0.00 -0.33 -0.23 -1.58 -1.57 0.00 0.00 175.55 171.84 3aaz s TRP 115 N -0.86 2.10 0.62 2.71 0.52 -1.26 -1.32 118.94 121.44 3aaz s TRP 115 Ca 0.45 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 56.10 3aaz s TRP 115 Cb -0.30 -1.08 0.14 0.00 -1.15 0.00 0.00 33.47 31.08 3aaz s TRP 115 CO 0.37 0.37 0.85 0.41 0.02 0.00 0.00 176.95 178.97 3aaz n GLY 116 N 0.58 -0.56 0.15 0.98 0.00 -0.79 -4.70 105.19 100.85 3aaz n GLY 116 Ca -0.15 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.17 3aaz n GLY 116 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3aaz h GLN 117 N 0.00 0.00 0.00 1.61 -0.00 -1.92 -3.46 115.11 111.34 3aaz h GLN 117 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 3aaz h GLN 117 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.33 3aaz h GLN 117 CO 0.23 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.47 3aaz n GLY 118 N 0.80 1.52 3.11 0.06 0.00 -1.26 -5.06 105.19 104.36 3aaz n GLY 118 Ca 0.04 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 3aaz n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3aaz s THR 119 N -2.67 0.93 -0.20 2.61 -1.32 -0.40 -4.81 115.64 109.78 3aaz s THR 119 Ca 0.00 -0.95 -0.12 0.00 -1.21 0.00 0.00 61.69 59.41 3aaz s THR 119 Cb 0.00 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 70.08 3aaz s THR 119 CO 0.00 -0.07 0.23 -0.89 -2.21 0.00 0.00 174.62 171.68 3aaz s THR 120 N -0.89 5.34 -0.15 5.08 2.01 -1.26 -0.53 115.64 125.23 3aaz s THR 120 Ca -0.01 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.38 3aaz s THR 120 Cb -0.08 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.88 3aaz s THR 120 CO 0.01 0.37 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.44 3aaz s VAL 121 N 0.71 1.82 -0.12 3.82 1.01 -0.07 -4.47 120.40 123.11 3aaz s VAL 121 Ca 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3aaz s VAL 121 Cb -0.13 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3aaz s VAL 121 CO 0.03 0.50 -0.13 -0.89 0.00 0.00 0.00 175.10 174.61 3aaz s THR 122 N 1.15 3.09 -0.31 3.92 2.01 -0.43 -0.97 115.64 124.10 3aaz s THR 122 Ca -0.00 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 3aaz s THR 122 Cb -0.14 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3aaz s THR 122 CO -0.07 0.53 0.11 -0.69 -0.69 0.00 0.00 174.62 173.81 3aaz s VAL 123 N 0.18 4.06 -0.12 3.82 1.01 -1.26 -1.49 120.40 126.61 3aaz s VAL 123 Ca -0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3aaz s VAL 123 Cb -0.15 -3.15 0.12 0.00 0.00 0.00 0.00 36.38 33.20 3aaz s VAL 123 CO 0.05 -0.01 0.96 -0.55 0.00 0.00 0.00 175.10 175.55 3aaz s SER 124 N 1.50 -0.38 0.00 3.32 0.15 -0.24 -4.51 113.70 113.55 3aaz s SER 124 Ca 0.02 0.31 0.28 0.00 0.70 0.00 0.00 55.95 57.26 3aaz s SER 124 Cb -0.18 0.33 1.12 0.00 -1.71 0.00 0.00 66.02 65.58 3aaz s SER 124 CO 0.03 -0.42 1.78 -1.54 1.20 0.00 0.00 173.24 174.29 3aaz n SER 125 N 0.48 1.05 -4.87 5.45 3.41 -1.26 -3.89 113.62 113.99 3aaz n SER 125 Ca -0.10 -1.16 -0.31 0.00 -0.26 0.00 0.00 58.87 57.04 3aaz n SER 125 Cb 0.59 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 3aaz n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3aaz s ALA 126 N -2.18 3.38 0.63 7.33 0.00 -1.26 -5.05 121.76 124.61 3aaz s ALA 126 Ca 0.35 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 3aaz s ALA 126 Cb 0.21 -2.66 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 3aaz s ALA 126 CO 0.40 0.13 1.06 -1.12 0.00 0.00 0.00 175.76 176.23 3aaz s SER 127 N -2.91 5.63 0.18 0.00 0.01 -1.26 -5.00 113.70 110.35 3aaz s SER 127 Ca 0.51 1.76 -0.31 0.00 1.31 0.00 0.00 55.95 59.22 3aaz s SER 127 Cb -0.10 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 3aaz s SER 127 CO 0.27 -1.27 1.49 -0.89 0.41 0.00 0.00 173.24 173.25 3aaz s THR 128 N -2.64 2.77 -0.03 1.44 2.01 -1.26 -4.69 115.64 113.23 3aaz s THR 128 Ca 0.62 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.19 3aaz s THR 128 Cb -0.15 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.02 3aaz s THR 128 CO 0.43 0.06 0.06 -0.75 -0.69 0.00 0.00 174.62 173.73 3aaz s LYS 129 N 0.63 -0.04 0.62 4.92 2.36 -0.53 -4.95 119.74 122.74 3aaz s LYS 129 Ca 0.65 0.30 -0.17 0.00 -2.55 0.00 0.00 55.97 54.20 3aaz s LYS 129 Cb -0.42 -0.35 -0.02 0.00 -1.05 0.00 0.00 37.83 36.00 3aaz s LYS 129 CO 0.35 -0.24 1.14 0.20 1.55 0.00 0.00 175.35 178.35 3aaz s GLY 130 N 1.59 2.41 0.52 5.54 0.00 -1.26 -0.88 107.32 115.22 3aaz s GLY 130 Ca -0.03 0.74 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 3aaz s GLY 130 CO -0.03 1.10 0.98 2.56 0.00 0.00 0.00 173.10 177.71 3aaz s PRO 131 N -3.71 3.92 -0.02 2.90 0.04 -1.26 -4.39 135.00 132.48 3aaz s PRO 131 Ca 0.71 0.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.62 3aaz s PRO 131 Cb -0.24 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 3aaz s PRO 131 CO 0.36 -0.28 0.21 -1.12 0.04 0.00 0.00 177.00 176.21 3aaz s SER 132 N -3.16 6.42 -0.14 6.66 0.01 0.86 -4.92 113.70 119.43 3aaz s SER 132 Ca 0.58 0.44 0.01 0.00 1.31 0.00 0.00 55.95 58.29 3aaz s SER 132 Cb -0.10 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.11 3aaz s SER 132 CO 0.33 0.28 -0.14 -0.69 0.41 0.00 0.00 173.24 173.43 3aaz s VAL 133 N -1.28 1.52 0.09 3.43 1.01 -1.26 -0.90 120.40 123.00 3aaz s VAL 133 Ca 0.26 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.72 3aaz s VAL 133 Cb -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3aaz s VAL 133 CO 0.16 0.45 -0.24 -0.36 0.00 0.00 0.00 175.10 175.11 3aaz s PHE 134 N 1.42 2.08 0.21 5.22 0.08 -0.09 -4.97 117.98 121.91 3aaz s PHE 134 Ca 0.03 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.38 3aaz s PHE 134 Cb -0.13 -1.18 -0.09 0.00 -0.57 0.00 0.00 43.02 41.05 3aaz s PHE 134 CO -0.09 0.21 1.40 -2.14 -0.10 0.00 0.00 175.22 174.50 3aaz s PRO 135 N -1.65 4.31 -0.60 0.24 0.02 -1.26 0.03 135.00 136.09 3aaz s PRO 135 Ca 0.10 2.20 -0.11 0.00 0.02 0.00 0.00 61.00 63.20 3aaz s PRO 135 Cb -0.10 -3.16 0.15 0.00 0.02 0.00 0.00 34.50 31.42 3aaz s PRO 135 CO 0.04 -0.39 0.51 -0.51 -0.33 0.00 0.00 177.00 176.32 3aaz s LEU 136 N 0.07 6.05 0.20 -5.54 1.43 0.95 -4.76 118.68 117.07 3aaz s LEU 136 Ca 0.60 -2.19 -0.25 0.00 -1.03 0.00 0.00 54.13 51.27 3aaz s LEU 136 Cb -0.40 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 3aaz s LEU 136 CO 0.39 -0.67 0.79 0.00 0.23 0.00 0.00 176.35 177.09 3aaz s ALA 137 N 0.95 3.41 0.15 4.21 0.00 -1.26 -1.00 121.76 128.23 3aaz s ALA 137 Ca 0.09 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.09 3aaz s ALA 137 Cb -0.22 -2.97 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 3aaz s ALA 137 CO -0.02 0.28 1.67 -1.25 0.00 0.00 0.00 175.76 176.45 3aaz s PRO 138 N -1.40 4.17 0.32 0.00 0.04 -1.26 -4.91 135.00 131.96 3aaz s PRO 138 Ca 0.39 2.47 0.05 0.00 0.04 0.00 0.00 61.00 63.95 3aaz s PRO 138 Cb -0.22 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 3aaz s PRO 138 CO 0.25 -0.71 0.31 -1.13 0.04 0.00 0.00 177.00 175.76 3aaz n SER 139 N 4.55 -0.81 -0.30 6.66 3.41 -1.26 -4.42 113.62 121.44 3aaz n SER 139 Ca 0.15 -3.01 0.14 0.00 -0.26 0.00 0.00 58.87 55.89 3aaz n SER 139 Cb 0.38 1.77 0.38 0.00 -0.26 0.00 0.00 64.21 66.48 3aaz n SER 139 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3aaz h SER 140 N 1.92 0.66 0.41 4.04 0.87 -1.95 -1.61 113.55 117.88 3aaz h SER 140 Ca -0.23 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3aaz h SER 140 Cb 1.13 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3aaz h SER 140 CO 0.33 0.28 0.00 0.29 -0.53 0.00 0.00 176.83 177.20 3aaz n LYS 141 N -4.62 0.34 -0.84 2.24 4.76 -1.26 -2.45 118.16 116.33 3aaz n LYS 141 Ca 0.20 0.07 0.03 0.00 -2.87 0.00 0.00 58.31 55.74 3aaz n LYS 141 Cb 0.56 -1.50 0.17 0.00 -1.84 0.00 0.00 35.03 32.42 3aaz n LYS 141 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3aaz n SER 142 N -1.27 1.90 -4.26 4.39 3.41 -0.61 -5.02 113.62 112.15 3aaz n SER 142 Ca 0.11 -3.67 -0.18 0.00 -0.26 0.00 0.00 58.87 54.88 3aaz n SER 142 Cb 0.18 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.53 3aaz n SER 142 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3aaz s THR 143 N -3.01 1.40 -0.27 6.66 2.01 -1.03 -0.88 115.64 120.51 3aaz s THR 143 Ca 0.39 -1.84 -0.05 0.00 0.31 0.00 0.00 61.69 60.50 3aaz s THR 143 Cb 0.37 -1.66 0.15 0.00 0.01 0.00 0.00 72.50 71.37 3aaz s THR 143 CO -0.07 -0.47 0.54 -0.44 -0.69 0.00 0.00 174.62 173.49 3aaz s SER 144 N -2.67 -0.83 1.81 3.53 0.01 -0.67 -5.01 113.70 109.88 3aaz s SER 144 Ca 0.12 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.37 3aaz s SER 144 Cb -0.03 1.88 0.00 0.00 0.21 0.00 0.00 66.02 68.08 3aaz s SER 144 CO 0.03 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.04 3aaz n GLY 145 N 5.42 3.33 0.03 3.44 0.00 -1.26 -2.50 105.19 113.64 3aaz n GLY 145 Ca -0.06 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3aaz n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aaz n GLY 146 N 0.00 -1.48 3.42 -0.02 0.00 -1.26 -4.91 105.19 100.94 3aaz n GLY 146 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3aaz n GLY 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3aaz s THR 147 N -3.04 3.03 -0.04 2.61 -4.23 -1.04 -0.32 115.64 112.61 3aaz s THR 147 Ca 0.12 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 3aaz s THR 147 Cb 0.17 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 3aaz s THR 147 CO 0.60 0.56 -0.13 0.00 -0.54 0.00 0.00 174.62 175.12 3aaz s ALA 148 N -0.18 2.75 -0.16 3.99 0.00 0.24 -1.66 121.76 126.74 3aaz s ALA 148 Ca -0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 3aaz s ALA 148 Cb -0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 3aaz s ALA 148 CO 0.03 0.57 0.00 0.00 0.00 0.00 0.00 175.76 176.36 3aaz s ALA 149 N -0.80 3.17 0.10 0.00 0.00 -0.06 -0.81 121.76 123.35 3aaz s ALA 149 Ca 0.13 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.34 3aaz s ALA 149 Cb -0.11 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3aaz s ALA 149 CO 0.02 0.21 -0.11 -0.48 0.00 0.00 0.00 175.76 175.40 3aaz s LEU 150 N 0.33 2.41 0.00 0.00 0.05 -0.66 -4.25 118.68 116.56 3aaz s LEU 150 Ca -0.01 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.34 3aaz s LEU 150 Cb -0.13 -0.35 0.00 0.00 -2.05 0.00 0.00 46.19 43.66 3aaz s LEU 150 CO 0.02 -0.25 0.00 0.61 -0.55 0.00 0.00 176.35 176.18 3aaz n GLY 151 N 0.50 2.70 3.27 -3.48 0.00 -0.17 -0.19 105.19 107.81 3aaz n GLY 151 Ca -0.15 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 3aaz n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aaz s LEU 153 N -0.28 4.12 -0.26 0.00 2.96 0.10 -0.66 118.68 124.66 3aaz s LEU 153 Ca 0.00 0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 3aaz s LEU 153 Cb -0.13 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.20 3aaz s LEU 153 CO 0.02 -0.06 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.28 3aaz s VAL 154 N 1.42 3.20 0.01 1.68 1.01 0.16 -0.92 120.40 126.97 3aaz s VAL 154 Ca 0.15 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3aaz s VAL 154 Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3aaz s VAL 154 CO 0.08 0.16 -0.03 -0.75 0.00 0.00 0.00 175.10 174.55 3aaz s LYS 155 N 1.38 0.27 -0.60 2.72 2.20 -0.08 -0.79 119.74 124.83 3aaz s LYS 155 Ca 0.01 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.22 3aaz s LYS 155 Cb -0.17 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 3aaz s LYS 155 CO -0.02 0.01 0.20 -0.25 -0.36 0.00 0.00 175.35 174.93 3aaz n ASP 156 N 2.24 -3.22 -4.84 1.43 8.00 0.13 -0.10 116.55 120.19 3aaz n ASP 156 Ca -0.18 -0.10 -0.21 0.00 0.71 0.00 0.00 54.79 55.01 3aaz n ASP 156 Cb 0.57 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.12 39.45 3aaz n ASP 156 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3aaz s TYR 157 N -2.72 2.99 -0.28 1.24 -0.85 -1.15 -4.46 117.35 112.12 3aaz s TYR 157 Ca 0.10 -0.22 -0.22 0.00 -0.52 0.00 0.00 57.07 56.21 3aaz s TYR 157 Cb -0.04 -1.64 0.10 0.00 0.38 0.00 0.00 41.96 40.76 3aaz s TYR 157 CO 0.12 0.32 0.85 0.12 -1.52 0.00 0.00 175.55 175.44 3aaz s PHE 158 N -2.23 -0.72 0.13 -3.49 2.19 -0.06 -0.43 117.98 113.36 3aaz s PHE 158 Ca 0.38 1.61 -0.01 0.00 0.33 0.00 0.00 56.93 59.24 3aaz s PHE 158 Cb -0.07 0.39 0.03 0.00 -1.31 0.00 0.00 43.02 42.06 3aaz s PHE 158 CO 0.26 -0.35 0.18 -0.35 1.83 0.00 0.00 175.22 176.79 3aaz n PRO 159 N 3.08 0.32 -1.19 10.12 -0.04 -1.26 -1.46 135.00 144.57 3aaz n PRO 159 Ca -0.16 -0.42 -0.35 0.00 -0.04 0.00 0.00 63.50 62.53 3aaz n PRO 159 Cb 0.57 -0.14 0.10 0.00 -0.04 0.00 0.00 33.50 33.98 3aaz n PRO 159 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3aaz n GLU 160 N -1.34 0.26 -3.32 0.54 4.07 -1.26 -4.72 120.64 114.86 3aaz n GLU 160 Ca 0.03 0.15 -0.19 0.00 -0.06 0.00 0.00 57.16 57.08 3aaz n GLU 160 Cb 0.10 -2.12 0.00 0.00 -0.06 0.00 0.00 31.44 29.36 3aaz n GLU 160 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3aaz s PRO 161 N -3.41 3.05 0.13 5.31 0.04 -1.26 -4.91 135.00 133.95 3aaz s PRO 161 Ca 0.69 -0.98 0.08 0.00 0.04 0.00 0.00 61.00 60.83 3aaz s PRO 161 Cb -0.32 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3aaz s PRO 161 CO 0.55 -0.05 -0.10 0.54 0.04 0.00 0.00 177.00 177.98 3aaz s VAL 162 N -2.26 3.29 -0.12 -0.36 0.11 -1.26 -4.41 120.40 115.39 3aaz s VAL 162 Ca 0.47 -1.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 3aaz s VAL 162 Cb -0.10 -2.56 -0.03 0.00 -1.53 0.00 0.00 36.38 32.17 3aaz s VAL 162 CO 0.32 0.05 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.18 3aaz s THR 163 N -1.34 3.62 -0.09 5.04 2.01 0.11 -4.99 115.64 120.01 3aaz s THR 163 Ca 0.22 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 3aaz s THR 163 Cb -0.10 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 69.90 3aaz s THR 163 CO 0.14 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.88 3aaz s VAL 164 N -0.08 0.69 0.44 3.82 1.01 -1.25 -1.23 120.40 123.79 3aaz s VAL 164 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3aaz s VAL 164 Cb -0.13 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3aaz s VAL 164 CO 0.03 0.31 0.03 -0.94 0.00 0.00 0.00 175.10 174.53 3aaz s SER 165 N 1.78 3.60 -0.04 3.32 1.04 -0.81 -4.96 113.70 117.64 3aaz s SER 165 Ca 0.04 -1.53 0.06 0.00 0.48 0.00 0.00 55.95 55.00 3aaz s SER 165 Cb -0.13 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 3aaz s SER 165 CO -0.06 -0.70 -0.23 0.26 0.98 0.00 0.00 173.24 173.49 3aaz s TRP 166 N -2.93 2.15 -1.18 5.02 0.52 -1.26 -1.03 118.94 120.22 3aaz s TRP 166 Ca 0.22 -0.52 -0.19 0.00 0.02 0.00 0.00 56.10 55.62 3aaz s TRP 166 Cb 0.05 -1.40 -0.00 0.00 -1.15 0.00 0.00 33.47 30.97 3aaz s TRP 166 CO 0.11 -0.12 0.73 0.09 0.02 0.00 0.00 176.95 177.79 3aaz n ASN 167 N 2.76 -4.49 -3.97 2.95 3.02 -0.54 -1.58 115.26 113.40 3aaz n ASN 167 Ca -0.17 -1.04 -0.30 0.00 -0.03 0.00 0.00 54.58 53.04 3aaz n ASN 167 Cb 0.52 -3.17 -0.02 0.00 -0.61 0.00 0.00 39.78 36.50 3aaz n ASN 167 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3aaz n SER 168 N -2.66 -1.56 -0.37 6.41 7.64 -1.26 -4.68 113.62 117.14 3aaz n SER 168 Ca -0.13 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.66 3aaz n SER 168 Cb 0.60 -2.71 0.00 0.00 -1.01 0.00 0.00 64.21 61.09 3aaz n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aaz n GLY 169 N -2.04 -3.34 2.42 0.23 0.00 -0.61 -4.87 105.19 96.98 3aaz n GLY 169 Ca -0.25 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 3aaz n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aaz n ALA 170 N -1.04 -0.26 -2.42 4.61 0.00 -1.25 -4.83 120.51 115.32 3aaz n ALA 170 Ca 0.00 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 3aaz n ALA 170 Cb 0.01 -1.65 0.01 0.00 0.00 0.00 0.00 19.45 17.82 3aaz n ALA 170 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3aaz n LEU 171 N -1.79 6.48 0.00 0.00 4.77 -1.22 -4.87 117.00 120.36 3aaz n LEU 171 Ca -0.16 -5.22 0.00 0.00 -0.03 0.00 0.00 56.01 50.60 3aaz n LEU 171 Cb 0.52 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3aaz n LEU 171 CO 0.23 2.04 0.00 1.07 -1.33 0.00 0.00 177.39 179.40 3aaz n THR 172 N -0.33 0.00 0.00 -5.08 5.66 -1.26 -4.83 114.28 108.44 3aaz n THR 172 Ca 0.45 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.45 3aaz n THR 172 Cb 0.34 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 3aaz n THR 172 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3aaz n SER 173 N -0.15 0.00 -1.76 1.09 7.64 -1.26 -3.72 113.62 115.46 3aaz n SER 173 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 3aaz n SER 173 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 3aaz n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aaz n GLY 174 N 0.00 3.20 3.70 0.23 0.00 -1.26 -4.97 105.19 106.09 3aaz n GLY 174 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3aaz n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aaz s VAL 175 N -2.49 4.90 -0.18 1.61 1.01 -1.24 -2.62 120.40 121.38 3aaz s VAL 175 Ca 0.44 1.81 0.01 0.00 0.00 0.00 0.00 61.98 64.24 3aaz s VAL 175 Cb 0.35 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3aaz s VAL 175 CO 0.11 0.12 -0.12 -1.00 0.00 0.00 0.00 175.10 174.21 3aaz s HIS 176 N 1.44 2.37 -0.35 5.22 3.76 0.41 -4.99 115.29 123.14 3aaz s HIS 176 Ca 0.45 -1.48 -0.10 0.00 -0.15 0.00 0.00 55.06 53.78 3aaz s HIS 176 Cb -0.19 -1.65 0.02 0.00 1.11 0.00 0.00 32.58 31.88 3aaz s HIS 176 CO 0.20 -0.72 0.18 0.99 -0.85 0.00 0.00 174.74 174.53 3aaz s THR 177 N 1.42 4.48 0.47 1.30 2.01 -1.26 -0.72 115.64 123.34 3aaz s THR 177 Ca 0.01 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.04 3aaz s THR 177 Cb -0.15 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 3aaz s THR 177 CO -0.09 -0.13 1.10 -0.36 -0.69 0.00 0.00 174.62 174.44 3aaz s PHE 178 N 1.55 2.93 0.43 4.92 0.40 -0.71 -4.99 117.98 122.52 3aaz s PHE 178 Ca 0.02 1.57 -0.25 0.00 -0.60 0.00 0.00 56.93 57.67 3aaz s PHE 178 Cb -0.19 -3.23 -0.10 0.00 0.51 0.00 0.00 43.02 40.02 3aaz s PHE 178 CO 0.06 -1.18 1.20 -2.30 0.70 0.00 0.00 175.22 173.70 3aaz n PRO 179 N -0.71 1.74 -2.08 0.24 -0.02 -1.26 -4.62 135.00 128.28 3aaz n PRO 179 Ca 0.08 0.62 -0.36 0.00 -2.02 0.00 0.00 63.50 61.82 3aaz n PRO 179 Cb 0.50 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3aaz n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3aaz s ALA 180 N -1.22 2.68 0.05 3.55 0.00 -1.26 -4.83 121.76 120.72 3aaz s ALA 180 Ca 0.62 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.66 3aaz s ALA 180 Cb -0.52 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 3aaz s ALA 180 CO 0.57 -1.01 -0.22 0.54 0.00 0.00 0.00 175.76 175.64 3aaz s VAL 181 N -1.59 1.81 -0.21 0.00 0.11 -0.24 -4.94 120.40 115.35 3aaz s VAL 181 Ca 0.73 -1.28 -0.24 0.00 -2.93 0.00 0.00 61.98 58.26 3aaz s VAL 181 Cb -0.30 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 3aaz s VAL 181 CO 0.34 0.23 0.80 -0.22 -3.33 0.00 0.00 175.10 172.92 3aaz s LEU 182 N -1.25 4.12 0.82 2.54 2.96 -1.26 -0.83 118.68 125.78 3aaz s LEU 182 Ca 0.09 1.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.94 3aaz s LEU 182 Cb -0.09 -3.17 0.09 0.00 0.50 0.00 0.00 46.19 43.52 3aaz s LEU 182 CO 0.02 -0.44 1.11 -1.10 -1.32 0.00 0.00 176.35 174.62 3aaz s GLN 183 N 2.47 1.87 0.65 1.98 -1.52 0.66 -4.90 119.66 120.87 3aaz s GLN 183 Ca 0.35 0.54 0.41 0.00 -1.95 0.00 0.00 55.36 54.71 3aaz s GLN 183 Cb -0.16 -1.90 2.27 0.00 -0.22 0.00 0.00 33.01 33.00 3aaz s GLN 183 CO 0.10 -1.75 2.33 0.66 -0.25 0.00 0.00 175.29 176.37 3aaz h SER 184 N -1.18 0.00 1.18 5.90 4.64 -1.96 0.11 113.55 122.24 3aaz h SER 184 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3aaz h SER 184 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3aaz h SER 184 CO 0.60 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.33 3aaz h SER 185 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.45 113.55 117.69 3aaz h SER 185 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3aaz h SER 185 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3aaz h SER 185 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3aaz n GLY 186 N 0.54 0.72 3.47 -0.77 0.00 0.38 -5.07 105.19 104.46 3aaz n GLY 186 Ca 0.03 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 3aaz n GLY 186 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aaz s LEU 187 N 0.00 2.61 0.35 0.99 1.43 -1.25 -4.87 118.68 117.94 3aaz s LEU 187 Ca 0.00 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 3aaz s LEU 187 Cb 0.00 -1.32 -0.07 0.00 0.03 0.00 0.00 46.19 44.83 3aaz s LEU 187 CO 0.00 0.11 0.69 -0.31 0.23 0.00 0.00 176.35 177.08 3aaz s TYR 188 N -1.72 3.45 -0.01 0.29 1.51 0.42 -0.25 117.35 121.05 3aaz s TYR 188 Ca 0.22 0.97 -0.06 0.00 -1.01 0.00 0.00 57.07 57.19 3aaz s TYR 188 Cb -0.08 -2.36 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 3aaz s TYR 188 CO 0.12 0.03 0.12 0.45 -1.11 0.00 0.00 175.55 175.15 3aaz s SER 189 N -2.94 0.01 0.17 2.29 0.15 -0.01 -0.69 113.70 112.67 3aaz s SER 189 Ca 0.50 -0.11 -0.23 0.00 0.70 0.00 0.00 55.95 56.80 3aaz s SER 189 Cb -0.10 0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.48 3aaz s SER 189 CO 0.28 -0.27 0.68 -1.48 1.20 0.00 0.00 173.24 173.64 3aaz s LEU 190 N -0.99 -0.45 0.07 3.45 2.34 0.03 -1.07 118.68 122.05 3aaz s LEU 190 Ca -0.11 -0.17 0.08 0.00 0.06 0.00 0.00 54.13 54.00 3aaz s LEU 190 Cb -0.06 2.55 -0.03 0.00 -0.56 0.00 0.00 46.19 48.08 3aaz s LEU 190 CO 0.01 -1.02 -0.20 -0.44 -1.06 0.00 0.00 176.35 173.64 3aaz s SER 191 N -2.77 3.68 -0.08 1.48 0.01 -1.26 0.37 113.70 115.12 3aaz s SER 191 Ca 0.04 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.83 3aaz s SER 191 Cb -0.02 -0.50 -0.00 0.00 0.21 0.00 0.00 66.02 65.70 3aaz s SER 191 CO -0.07 0.23 -0.23 -0.55 0.41 0.00 0.00 173.24 173.03 3aaz s SER 192 N -1.65 2.96 0.08 2.44 0.15 0.17 -1.73 113.70 116.11 3aaz s SER 192 Ca 0.15 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.31 3aaz s SER 192 Cb -0.10 -1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 63.05 3aaz s SER 192 CO 0.06 0.18 -0.08 -0.69 1.20 0.00 0.00 173.24 173.91 3aaz s VAL 193 N 0.15 0.71 -0.09 4.45 1.01 0.10 -0.07 120.40 126.67 3aaz s VAL 193 Ca -0.12 -1.52 -0.07 0.00 0.00 0.00 0.00 61.98 60.28 3aaz s VAL 193 Cb -0.16 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.08 3aaz s VAL 193 CO 0.06 -0.59 0.22 0.54 0.00 0.00 0.00 175.10 175.34 3aaz s VAL 194 N -2.40 -0.02 -0.16 2.92 0.11 0.73 -0.45 120.40 121.14 3aaz s VAL 194 Ca 0.02 0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 3aaz s VAL 194 Cb -0.03 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3aaz s VAL 194 CO -0.01 0.02 0.07 -0.89 -3.33 0.00 0.00 175.10 170.96 3aaz s THR 195 N 0.57 4.86 0.02 5.04 2.01 -1.08 -1.65 115.64 125.40 3aaz s THR 195 Ca -0.04 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.82 3aaz s THR 195 Cb -0.05 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.32 3aaz s THR 195 CO -0.03 0.51 0.27 0.68 -0.69 0.00 0.00 174.62 175.36 3aaz s VAL 196 N -0.04 0.08 0.18 3.82 -7.23 0.01 -4.44 120.40 112.77 3aaz s VAL 196 Ca 0.07 -0.64 -0.33 0.00 -1.81 0.00 0.00 61.98 59.27 3aaz s VAL 196 Cb -0.12 -0.77 -0.15 0.00 0.56 0.00 0.00 36.38 35.90 3aaz s VAL 196 CO 0.01 -0.35 1.18 -2.65 -0.31 0.00 0.00 175.10 172.98 3aaz n PRO 197 N 0.94 1.23 0.14 4.82 -0.02 -1.26 0.82 135.00 141.66 3aaz n PRO 197 Ca -0.20 0.44 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 3aaz n PRO 197 Cb 0.58 -1.95 0.04 0.00 -0.02 0.00 0.00 33.50 32.15 3aaz n PRO 197 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3aaz h SER 198 N 3.43 0.00 0.09 2.55 4.64 -0.96 -3.33 113.55 119.97 3aaz h SER 198 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3aaz h SER 198 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3aaz h SER 198 CO 0.70 0.36 -0.07 0.77 -0.87 0.00 0.00 176.83 177.72 3aaz h SER 199 N 0.00 0.00 -1.59 4.97 4.64 -1.91 -3.41 113.55 116.25 3aaz h SER 199 Ca -0.03 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.84 3aaz h SER 199 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3aaz h SER 199 CO 0.04 0.07 -0.34 -0.55 -0.87 0.00 0.00 176.83 175.18 3aaz s SER 200 N -6.83 5.48 0.00 4.97 0.15 -1.25 -4.86 113.70 111.36 3aaz s SER 200 Ca -0.04 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.12 3aaz s SER 200 Cb 0.16 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 3aaz s SER 200 CO 0.65 -0.61 0.00 0.18 1.20 0.00 0.00 173.24 174.67 3aaz n LEU 201 N -1.65 0.00 0.00 3.45 4.77 -1.26 -4.83 117.00 117.48 3aaz n LEU 201 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3aaz n LEU 201 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3aaz n LEU 201 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3aaz n GLY 202 N 0.00 0.80 1.85 -0.72 0.00 -1.26 -4.66 105.19 101.19 3aaz n GLY 202 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3aaz n GLY 202 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3aaz n THR 203 N 0.00 1.99 -4.33 2.61 5.66 -1.26 -4.85 114.28 114.10 3aaz n THR 203 Ca 0.00 -0.80 -0.27 0.00 -3.05 0.00 0.00 64.05 59.94 3aaz n THR 203 Cb 0.00 -1.65 -0.17 0.00 -1.55 0.00 0.00 70.33 66.96 3aaz n THR 203 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3aaz s GLN 204 N 0.91 1.85 -0.08 1.09 1.11 -1.26 -5.12 119.66 118.15 3aaz s GLN 204 Ca 0.27 -0.42 0.01 0.00 0.01 0.00 0.00 55.36 55.22 3aaz s GLN 204 Cb 0.13 -1.64 -0.03 0.00 -1.01 0.00 0.00 33.01 30.46 3aaz s GLN 204 CO 0.00 -0.09 -0.09 0.99 0.01 0.00 0.00 175.29 176.11 3aaz s THR 205 N 1.09 3.54 -0.16 -0.19 2.01 -1.26 -4.68 115.64 115.98 3aaz s THR 205 Ca -0.06 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 3aaz s THR 205 Cb -0.14 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 69.97 3aaz s THR 205 CO -0.02 0.58 0.05 -0.31 -0.69 0.00 0.00 174.62 174.23 3aaz s TYR 206 N -0.53 0.61 -0.07 4.92 2.02 -1.26 -4.98 117.35 118.06 3aaz s TYR 206 Ca 0.08 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3aaz s TYR 206 Cb -0.12 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.57 3aaz s TYR 206 CO 0.02 -0.52 -0.02 0.42 -1.57 0.00 0.00 175.55 173.88 3aaz s ILE 207 N 2.00 4.10 -0.11 2.71 1.09 -1.26 -1.03 121.20 128.70 3aaz s ILE 207 Ca 0.01 -0.35 -0.04 0.00 -1.10 0.00 0.00 60.65 59.17 3aaz s ILE 207 Cb -0.16 -2.72 -0.04 0.00 -1.06 0.00 0.00 42.46 38.49 3aaz s ILE 207 CO -0.08 0.59 0.04 0.00 -0.10 0.00 0.00 174.94 175.39 3aaz s ASN 209 N -0.78 4.76 -0.14 0.00 -0.87 -0.20 -2.78 114.94 114.94 3aaz s ASN 209 Ca 0.12 -0.66 0.01 0.00 -1.57 0.00 0.00 52.86 50.76 3aaz s ASN 209 Cb -0.12 -1.80 -0.01 0.00 -0.02 0.00 0.00 41.25 39.31 3aaz s ASN 209 CO 0.03 -0.13 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.58 3aaz s VAL 210 N 1.46 2.78 -0.10 1.60 1.01 -1.12 -1.92 120.40 124.11 3aaz s VAL 210 Ca 0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3aaz s VAL 210 Cb -0.16 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.09 3aaz s VAL 210 CO -0.00 0.52 -0.03 0.21 0.00 0.00 0.00 175.10 175.80 3aaz s ASN 211 N 0.53 1.91 -0.46 3.32 3.84 -0.37 -2.03 114.94 121.67 3aaz s ASN 211 Ca -0.10 -0.21 0.03 0.00 0.21 0.00 0.00 52.86 52.78 3aaz s ASN 211 Cb -0.16 -0.62 0.12 0.00 -0.55 0.00 0.00 41.25 40.04 3aaz s ASN 211 CO 0.04 -0.17 0.21 -2.28 -2.79 0.00 0.00 177.10 172.11 3aaz s HIS 212 N 1.85 3.44 0.22 0.43 5.65 -0.79 0.09 115.29 126.19 3aaz s HIS 212 Ca 0.05 -3.00 -0.08 0.00 0.25 0.00 0.00 55.06 52.28 3aaz s HIS 212 Cb -0.13 -2.94 0.25 0.00 -1.18 0.00 0.00 32.58 28.59 3aaz s HIS 212 CO -0.07 -0.84 1.86 0.87 -0.65 0.00 0.00 174.74 175.91 3aaz h LYS 213 N 7.07 0.92 -0.87 2.88 1.57 -1.83 -2.68 116.57 123.62 3aaz h LYS 213 Ca -0.06 -0.06 0.19 0.00 -1.87 0.00 0.00 60.65 58.85 3aaz h LYS 213 Cb 0.95 -0.21 -0.11 0.00 0.08 0.00 0.00 32.23 32.95 3aaz h LYS 213 CO 0.64 0.61 0.40 -1.35 -0.57 0.00 0.00 179.45 179.18 3aaz h PRO 214 N 0.95 0.47 -0.48 3.15 0.11 -1.91 -1.14 132.00 133.15 3aaz h PRO 214 Ca 0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3aaz h PRO 214 Cb 0.07 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3aaz h PRO 214 CO -0.13 0.31 0.00 -1.13 -0.21 0.00 0.00 178.00 176.84 3aaz n SER 215 N -4.98 3.16 -3.98 -2.05 3.41 -1.14 -4.96 113.62 103.08 3aaz n SER 215 Ca 0.20 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.46 3aaz n SER 215 Cb 0.56 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.21 3aaz n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3aaz n ASN 216 N 1.26 -4.28 -4.16 4.04 5.15 -0.43 -4.89 115.26 111.94 3aaz n ASN 216 Ca 0.20 -1.18 -0.31 0.00 -0.60 0.00 0.00 54.58 52.69 3aaz n ASN 216 Cb 0.53 -1.56 -0.17 0.00 -0.53 0.00 0.00 39.78 38.05 3aaz n ASN 216 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3aaz s THR 217 N -3.34 1.90 -0.10 -0.44 2.01 -1.03 -5.04 115.64 109.59 3aaz s THR 217 Ca 0.31 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.43 3aaz s THR 217 Cb -0.17 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 3aaz s THR 217 CO 0.94 0.52 -0.18 -0.54 -0.69 0.00 0.00 174.62 174.67 3aaz s LYS 218 N 0.65 3.10 -0.07 4.92 1.02 -1.26 -1.88 119.74 126.21 3aaz s LYS 218 Ca -0.12 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 3aaz s LYS 218 Cb -0.16 -2.45 0.03 0.00 -0.52 0.00 0.00 37.83 34.73 3aaz s LYS 218 CO 0.03 0.27 0.03 0.08 -0.92 0.00 0.00 175.35 174.83 3aaz s VAL 219 N 0.18 0.20 -0.00 3.17 1.01 -0.86 -5.03 120.40 119.06 3aaz s VAL 219 Ca -0.10 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3aaz s VAL 219 Cb -0.16 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 3aaz s VAL 219 CO 0.06 0.18 0.41 -1.81 0.00 0.00 0.00 175.10 173.94 3aaz s ASP 220 N 2.04 6.80 -0.16 3.32 1.11 -1.26 -2.78 116.67 125.74 3aaz s ASP 220 Ca 0.05 0.96 -0.04 0.00 0.18 0.00 0.00 52.55 53.69 3aaz s ASP 220 Cb -0.13 -2.25 0.08 0.00 1.07 0.00 0.00 42.92 41.69 3aaz s ASP 220 CO -0.05 0.32 0.25 -0.75 1.18 0.00 0.00 175.17 176.13 3aaz s LYS 221 N -1.04 0.17 0.16 8.23 2.47 -1.12 -5.03 119.74 123.58 3aaz s LYS 221 Ca 0.24 0.57 -0.27 0.00 -1.56 0.00 0.00 55.97 54.94 3aaz s LYS 221 Cb -0.17 -0.41 -0.08 0.00 -1.46 0.00 0.00 37.83 35.72 3aaz s LYS 221 CO 0.13 -0.42 0.85 0.21 0.16 0.00 0.00 175.35 176.29 3aaz s LYS 222 N 2.40 4.67 -0.12 4.03 2.20 -1.26 -1.35 119.74 130.30 3aaz s LYS 222 Ca 0.04 1.29 0.03 0.00 -0.36 0.00 0.00 55.97 56.97 3aaz s LYS 222 Cb -0.13 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3aaz s LYS 222 CO -0.10 0.46 -0.22 0.08 -0.36 0.00 0.00 175.35 175.21 3aaz s VAL 223 N -0.81 2.20 0.34 4.02 1.01 -0.20 -4.91 120.40 122.05 3aaz s VAL 223 Ca 0.39 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3aaz s VAL 223 Cb -0.24 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3aaz s VAL 223 CO 0.28 0.55 0.56 -1.61 0.00 0.00 0.00 175.10 174.88 3aaz s GLU 224 N 0.55 1.95 0.00 2.72 2.02 -1.26 -4.44 118.70 120.24 3aaz s GLU 224 Ca -0.13 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.25 3aaz s GLU 224 Cb -0.17 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.56 3aaz s GLU 224 CO 0.04 -0.84 0.00 -0.35 0.02 0.00 0.00 175.26 174.13 3aaz n PRO 225 N -0.53 1.98 -0.92 0.39 -0.05 -1.26 -4.41 135.00 130.20 3aaz n PRO 225 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.43 3aaz n PRO 225 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.06 3aaz n PRO 225 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 3aaz n LYS 226 N 0.00 2.20 0.00 0.54 4.01 -1.26 -5.01 118.16 118.63 3aaz n LYS 226 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3aaz n LYS 226 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3aaz n LYS 226 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 3aaz n SER 227 N -0.72 0.94 -2.40 4.39 7.64 -1.26 -5.11 113.62 117.09 3aaz n SER 227 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 3aaz n SER 227 Cb 0.00 0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 3aaz n SER 227 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03