#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cee s GLN 2 N 0.00 3.51 -0.05 2.12 1.11 -1.26 -5.03 119.66 120.06 1cee s GLN 2 Ca 0.00 -0.31 -0.03 0.00 0.01 0.00 0.00 55.36 55.02 1cee s GLN 2 Cb 0.00 -2.70 0.02 0.00 -1.01 0.00 0.00 33.01 29.32 1cee s GLN 2 CO 0.00 0.21 0.12 0.99 0.01 0.00 0.00 175.29 176.62 1cee s THR 3 N -2.20 -0.02 -0.22 -0.19 2.01 -1.26 -2.58 115.64 111.17 1cee s THR 3 Ca 0.40 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.39 1cee s THR 3 Cb -0.10 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1cee s THR 3 CO 0.34 0.03 0.09 -0.63 -0.69 0.00 0.00 174.62 173.76 1cee s ILE 4 N 0.47 4.80 -0.75 1.82 1.09 -0.80 -4.89 121.20 122.94 1cee s ILE 4 Ca -0.03 -0.02 -0.22 0.00 -1.10 0.00 0.00 60.65 59.28 1cee s ILE 4 Cb -0.05 -3.21 0.08 0.00 -1.06 0.00 0.00 42.46 38.22 1cee s ILE 4 CO -0.02 0.38 1.05 -0.75 -0.10 0.00 0.00 174.94 175.51 1cee s LYS 5 N 1.00 3.25 -0.25 2.79 2.47 -1.26 0.13 119.74 127.88 1cee s LYS 5 Ca 0.05 -1.01 -0.08 0.00 -1.56 0.00 0.00 55.97 53.37 1cee s LYS 5 Cb -0.14 -4.45 -0.03 0.00 -1.46 0.00 0.00 37.83 31.75 1cee s LYS 5 CO 0.03 -1.86 0.10 0.00 0.16 0.00 0.00 175.35 173.78 1cee s VAL 7 N 1.47 1.20 -0.17 0.00 0.11 -1.26 0.83 120.40 122.59 1cee s VAL 7 Ca 0.06 -0.48 -0.24 0.00 -2.93 0.00 0.00 61.98 58.39 1cee s VAL 7 Cb -0.15 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 1cee s VAL 7 CO 0.05 0.38 0.76 -0.69 -3.33 0.00 0.00 175.10 172.27 1cee s VAL 8 N 0.92 4.93 0.22 2.04 1.01 -0.98 -1.80 120.40 126.74 1cee s VAL 8 Ca -0.09 1.49 0.07 0.00 0.00 0.00 0.00 61.98 63.45 1cee s VAL 8 Cb -0.15 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1cee s VAL 8 CO 0.00 0.06 -0.12 0.68 0.00 0.00 0.00 175.10 175.73 1cee s VAL 9 N 2.00 1.63 0.00 2.92 -7.23 0.18 -3.59 120.40 116.32 1cee s VAL 9 Ca 0.35 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1cee s VAL 9 Cb -0.16 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1cee s VAL 9 CO 0.12 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1cee n GLY 10 N -0.41 4.29 2.44 2.32 0.00 -1.26 -2.80 105.19 109.78 1cee n GLY 10 Ca -0.07 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1cee n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cee n ASP 11 N 0.00 7.53 0.00 1.61 9.92 -1.26 -4.37 116.55 129.98 1cee n ASP 11 Ca 0.00 -3.08 0.00 0.00 -0.53 0.00 0.00 54.79 51.18 1cee n ASP 11 Cb 0.00 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.13 1cee n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cee n GLY 12 N 1.69 3.72 0.00 0.44 0.00 -1.26 -5.04 105.19 104.74 1cee n GLY 12 Ca 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1cee n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cee n ALA 13 N -3.00 0.00 -1.93 4.61 0.00 -1.26 -4.65 120.51 114.28 1cee n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cee n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cee n ALA 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1cee n VAL 14 N 0.00 -6.20 0.00 0.00 0.24 -1.26 -4.66 118.33 106.45 1cee n VAL 14 Ca 0.00 1.53 0.00 0.00 -2.04 0.00 0.00 64.34 63.83 1cee n VAL 14 Cb 0.00 -3.11 0.00 0.00 -1.47 0.00 0.00 33.84 29.26 1cee n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cee n GLY 15 N 1.81 3.13 0.39 7.63 0.00 -1.26 -4.78 105.19 112.11 1cee n GLY 15 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 1cee n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cee h LYS 16 N 0.00 -0.06 0.00 1.61 3.64 -1.92 0.40 116.57 120.23 1cee h LYS 16 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cee h LYS 16 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1cee h LYS 16 CO 0.00 -0.04 -1.07 2.41 -2.27 0.00 0.00 179.45 178.48 1cee n THR 17 N -5.40 0.12 0.13 1.00 -1.04 -1.26 -3.19 114.28 104.63 1cee n THR 17 Ca 0.06 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1cee n THR 17 Cb 0.35 0.31 0.04 0.00 -1.82 0.00 0.00 70.33 69.22 1cee n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee n LEU 19 N -3.34 2.09 -0.25 0.00 0.00 0.05 -3.15 117.00 112.40 1cee n LEU 19 Ca 0.01 0.21 0.06 0.00 0.00 0.00 0.00 56.01 56.28 1cee n LEU 19 Cb 0.75 -0.68 0.19 0.00 0.00 0.00 0.00 43.42 43.68 1cee n LEU 19 CO 0.42 0.73 0.96 -0.07 0.00 0.00 0.00 177.39 179.43 1cee h LEU 20 N 0.04 0.10 0.03 -1.96 3.38 -1.64 0.55 115.31 115.82 1cee h LEU 20 Ca -0.42 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1cee h LEU 20 Cb 2.03 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.94 1cee h LEU 20 CO 0.06 0.00 -0.02 0.40 0.09 0.00 0.00 178.44 178.98 1cee h ILE 21 N 0.32 1.37 0.00 1.22 1.08 -1.73 -3.14 117.51 116.64 1cee h ILE 21 Ca 0.42 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1cee h ILE 21 Cb 0.70 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 1cee h ILE 21 CO -0.48 0.41 0.05 0.28 -0.69 0.00 0.00 178.15 177.71 1cee h SER 22 N -0.85 0.00 0.38 1.72 0.02 -1.40 0.68 113.55 114.10 1cee h SER 22 Ca -0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1cee h SER 22 Cb 0.70 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.26 1cee h SER 22 CO 0.01 0.00 -1.47 0.22 -1.14 0.00 0.00 176.83 174.45 1cee h TYR 23 N 0.00 0.73 0.00 3.45 3.20 0.10 -1.87 116.97 122.59 1cee h TYR 23 Ca 0.00 -0.53 -0.32 0.00 3.14 0.00 0.00 58.73 61.01 1cee h TYR 23 Cb 0.09 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 1cee h TYR 23 CO 0.00 1.48 -2.22 2.41 -1.64 0.00 0.00 178.16 178.18 1cee n THR 24 N -3.61 1.32 -0.01 1.81 -1.04 -0.38 -4.55 114.28 107.82 1cee n THR 24 Ca -0.16 -0.82 0.05 0.00 -2.04 0.00 0.00 64.05 61.09 1cee n THR 24 Cb 1.07 -0.53 -0.09 0.00 -1.82 0.00 0.00 70.33 68.96 1cee n THR 24 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1cee n THR 25 N -2.77 0.04 -1.29 12.58 -2.24 0.22 -4.99 114.28 115.84 1cee n THR 25 Ca -0.28 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 1cee n THR 25 Cb 1.09 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 1cee n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cee n ASN 26 N -1.94 -4.45 -4.09 3.42 5.15 -0.70 -4.97 115.26 107.68 1cee n ASN 26 Ca -0.03 0.24 -0.32 0.00 -0.60 0.00 0.00 54.58 53.87 1cee n ASN 26 Cb 0.34 -2.82 -0.16 0.00 -0.53 0.00 0.00 39.78 36.62 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1cee s LYS 27 N -2.70 2.67 0.10 1.20 2.36 -1.26 -4.95 119.74 117.16 1cee s LYS 27 Ca 0.00 -0.96 -0.31 0.00 -2.55 0.00 0.00 55.97 52.15 1cee s LYS 27 Cb 0.00 -2.62 -0.09 0.00 -1.05 0.00 0.00 37.83 34.06 1cee s LYS 27 CO 0.00 -0.33 1.73 0.12 1.55 0.00 0.00 175.35 178.42 1cee s PHE 28 N 1.26 2.35 0.69 4.03 2.19 -1.26 -3.99 117.98 123.24 1cee s PHE 28 Ca 0.01 0.19 -0.12 0.00 0.33 0.00 0.00 56.93 57.33 1cee s PHE 28 Cb -0.15 -4.06 0.01 0.00 -1.31 0.00 0.00 43.02 37.51 1cee s PHE 28 CO -0.10 -4.29 1.07 -1.25 1.83 0.00 0.00 175.22 172.47 1cee s PRO 29 N 2.56 2.85 0.00 10.12 0.04 -1.26 -4.99 135.00 144.32 1cee s PRO 29 Ca 0.77 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1cee s PRO 29 Cb -0.43 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1cee s PRO 29 CO 0.34 -1.17 0.22 0.45 0.04 0.00 0.00 177.00 176.88 1cee n SER 30 N -2.96 0.45 -4.47 6.66 2.88 -1.26 -5.07 113.62 109.84 1cee n SER 30 Ca 0.08 -0.73 -0.29 0.00 -1.33 0.00 0.00 58.87 56.60 1cee n SER 30 Cb 0.53 0.37 0.24 0.00 -0.75 0.00 0.00 64.21 64.60 1cee n SER 30 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cee n GLU 31 N -0.37 -2.18 -1.67 -1.46 2.13 -1.26 -5.06 120.64 110.78 1cee n GLU 31 Ca 0.00 -0.60 0.00 0.00 0.66 0.00 0.00 57.16 57.22 1cee n GLU 31 Cb 0.03 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1cee n GLU 31 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1cee n TYR 32 N -4.86 0.00 -1.25 4.31 4.02 -1.26 -5.11 117.16 113.01 1cee n TYR 32 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.05 1cee n TYR 32 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.80 1cee n TYR 32 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1cee n VAL 33 N 0.00 -0.88 -0.83 -0.72 0.24 -1.26 -4.84 118.33 110.04 1cee n VAL 33 Ca 0.00 0.77 -0.34 0.00 -2.04 0.00 0.00 64.34 62.73 1cee n VAL 33 Cb 0.00 -1.18 0.11 0.00 -1.47 0.00 0.00 33.84 31.30 1cee n VAL 33 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1cee n PRO 34 N -3.91 -0.49 0.06 7.34 -0.02 -1.26 -4.92 135.00 131.80 1cee n PRO 34 Ca -0.07 -0.12 -0.02 0.00 -2.02 0.00 0.00 63.50 61.27 1cee n PRO 34 Cb 0.51 -1.55 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 1cee n PRO 34 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1cee h THR 35 N -1.50 0.88 0.00 3.45 2.02 -1.95 -3.47 112.91 112.33 1cee h THR 35 Ca -0.45 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.31 1cee h THR 35 Cb 1.31 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 1cee h THR 35 CO 0.31 0.50 0.00 0.52 0.37 0.00 0.00 175.52 177.22 1cee n VAL 36 N -3.10 0.00 -3.15 3.16 0.31 -1.26 -4.22 118.33 110.07 1cee n VAL 36 Ca -0.05 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.33 1cee n VAL 36 Cb 0.85 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.77 1cee n VAL 36 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1cee s PHE 37 N 0.00 -0.69 -0.08 3.52 5.36 -1.26 -3.64 117.98 121.20 1cee s PHE 37 Ca 0.00 0.71 0.03 0.00 -0.96 0.00 0.00 56.93 56.71 1cee s PHE 37 Cb 0.00 0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.92 1cee s PHE 37 CO 0.00 -0.38 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.70 1cee s ASP 38 N 2.94 2.35 -0.05 6.13 1.01 -1.22 -4.95 116.67 122.89 1cee s ASP 38 Ca 0.03 -0.41 0.05 0.00 0.71 0.00 0.00 52.55 52.93 1cee s ASP 38 Cb -0.10 -1.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.75 1cee s ASP 38 CO -0.13 0.09 -0.19 0.21 0.21 0.00 0.00 175.17 175.36 1cee s ASN 39 N 0.49 3.61 0.06 0.27 2.47 -1.26 -0.78 114.94 119.79 1cee s ASN 39 Ca -0.16 -0.33 -0.05 0.00 0.42 0.00 0.00 52.86 52.74 1cee s ASN 39 Cb -0.16 -0.76 -0.02 0.00 -1.45 0.00 0.00 41.25 38.85 1cee s ASN 39 CO 0.06 0.31 0.08 -0.31 -3.72 0.00 0.00 177.10 173.51 1cee s TYR 40 N -0.52 0.31 -0.09 0.43 1.51 -0.01 -5.01 117.35 113.97 1cee s TYR 40 Ca 0.07 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1cee s TYR 40 Cb -0.11 -0.21 0.03 0.00 -0.11 0.00 0.00 41.96 41.55 1cee s TYR 40 CO 0.01 -0.43 -0.02 0.00 -1.11 0.00 0.00 175.55 174.00 1cee s ALA 41 N -3.55 0.93 -0.06 3.71 0.00 -1.26 0.71 121.76 122.24 1cee s ALA 41 Ca 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1cee s ALA 41 Cb 0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1cee s ALA 41 CO -0.09 -0.47 0.05 0.08 0.00 0.00 0.00 175.76 175.33 1cee s VAL 42 N 1.88 4.63 -0.39 0.00 1.01 -0.91 -4.88 120.40 121.74 1cee s VAL 42 Ca 0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1cee s VAL 42 Cb -0.13 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1cee s VAL 42 CO -0.06 0.52 0.22 -0.89 0.00 0.00 0.00 175.10 174.89 1cee s THR 43 N -1.01 4.23 0.23 3.92 2.01 -1.26 0.13 115.64 123.90 1cee s THR 43 Ca 0.17 -1.23 0.11 0.00 0.31 0.00 0.00 61.69 61.05 1cee s THR 43 Cb -0.12 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1cee s THR 43 CO 0.06 -0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.73 1cee s VAL 44 N 1.45 2.61 -0.97 3.82 1.01 -1.03 -4.90 120.40 122.39 1cee s VAL 44 Ca 0.02 -2.12 -0.18 0.00 0.00 0.00 0.00 61.98 59.70 1cee s VAL 44 Cb -0.21 -2.32 0.13 0.00 0.00 0.00 0.00 36.38 33.98 1cee s VAL 44 CO 0.03 -0.25 1.19 -0.04 0.00 0.00 0.00 175.10 176.04 1cee s MET 45 N -3.10 3.66 -0.20 2.72 -1.94 -1.26 0.50 119.30 119.68 1cee s MET 45 Ca 0.26 -1.81 -0.07 0.00 -1.71 0.00 0.00 55.69 52.35 1cee s MET 45 Cb -0.07 -4.97 -0.04 0.00 2.01 0.00 0.00 34.83 31.76 1cee s MET 45 CO 0.13 -1.81 0.06 0.42 -0.01 0.00 0.00 175.02 173.82 1cee s ILE 46 N 2.73 4.64 -0.84 2.53 1.01 -0.10 -4.37 121.20 126.80 1cee s ILE 46 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1cee s ILE 46 Cb -0.04 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1cee s ILE 46 CO -0.08 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1cee n GLY 47 N 3.88 0.22 2.22 6.18 0.00 -1.26 -2.77 105.19 113.67 1cee n GLY 47 Ca -0.16 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1cee n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cee n GLY 48 N -1.19 0.30 3.26 -0.02 0.00 -1.26 -5.01 105.19 101.27 1cee n GLY 48 Ca -0.11 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1cee n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cee s GLU 49 N -4.04 0.93 -0.14 1.61 2.02 -1.11 -5.13 118.70 112.84 1cee s GLU 49 Ca 0.00 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 1cee s GLU 49 Cb 0.00 0.40 -0.03 0.00 0.10 0.00 0.00 34.13 34.59 1cee s GLU 49 CO 0.00 -0.33 1.54 -1.25 0.02 0.00 0.00 175.26 175.24 1cee s PRO 50 N -3.50 4.06 0.40 0.39 0.04 -1.26 -0.93 135.00 134.20 1cee s PRO 50 Ca 0.02 1.87 0.01 0.00 0.04 0.00 0.00 61.00 62.93 1cee s PRO 50 Cb 0.02 -3.95 0.01 0.00 0.04 0.00 0.00 34.50 30.62 1cee s PRO 50 CO -0.09 -0.96 0.04 0.66 0.04 0.00 0.00 177.00 176.69 1cee n TYR 51 N 7.44 0.69 -3.84 0.56 4.02 0.18 -4.67 117.16 121.54 1cee n TYR 51 Ca 0.17 -1.94 -0.13 0.00 -0.01 0.00 0.00 57.90 56.00 1cee n TYR 51 Cb 0.44 -0.27 -0.14 0.00 -0.02 0.00 0.00 39.34 39.35 1cee n TYR 51 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1cee s THR 52 N -2.39 -0.01 -0.40 -0.72 2.01 -1.07 -2.47 115.64 110.60 1cee s THR 52 Ca 0.03 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 1cee s THR 52 Cb -0.00 -0.07 0.10 0.00 0.01 0.00 0.00 72.50 72.53 1cee s THR 52 CO 0.02 0.01 0.19 -0.22 -0.69 0.00 0.00 174.62 173.94 1cee s LEU 53 N 0.20 5.05 -0.64 4.42 2.96 0.35 -1.90 118.68 129.13 1cee s LEU 53 Ca -0.02 -1.80 -0.26 0.00 -0.22 0.00 0.00 54.13 51.83 1cee s LEU 53 Cb -0.02 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1cee s LEU 53 CO -0.01 -0.51 1.90 -0.83 -1.32 0.00 0.00 176.35 175.59 1cee s GLY 54 N 1.85 0.15 -0.05 7.98 0.00 0.35 -2.14 107.32 115.47 1cee s GLY 54 Ca 0.05 -0.73 -0.21 0.00 0.00 0.00 0.00 44.72 43.83 1cee s GLY 54 CO -0.02 3.47 0.60 1.08 0.00 0.00 0.00 173.10 178.23 1cee s LEU 55 N 9.41 4.36 0.07 0.66 1.43 0.22 0.63 118.68 135.46 1cee s LEU 55 Ca 0.69 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 1cee s LEU 55 Cb -0.12 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1cee s LEU 55 CO 0.18 0.02 -0.11 -0.36 0.23 0.00 0.00 176.35 176.31 1cee s PHE 56 N 0.27 0.99 0.01 0.29 0.40 0.25 -0.83 117.98 119.35 1cee s PHE 56 Ca 0.32 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1cee s PHE 56 Cb -0.17 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 1cee s PHE 56 CO 0.16 -0.01 -0.14 -0.51 0.70 0.00 0.00 175.22 175.43 1cee s ASP 57 N -1.83 1.61 -0.11 1.36 1.01 0.04 -2.32 116.67 116.43 1cee s ASP 57 Ca -0.03 -0.31 -0.07 0.00 0.71 0.00 0.00 52.55 52.85 1cee s ASP 57 Cb -0.08 -0.15 0.04 0.00 1.01 0.00 0.00 42.92 43.73 1cee s ASP 57 CO 0.01 0.13 0.27 0.42 0.21 0.00 0.00 175.17 176.20 1cee s THR 58 N -0.48 -0.03 0.00 -1.27 -4.23 -1.24 -3.38 115.64 105.02 1cee s THR 58 Ca 0.04 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1cee s THR 58 Cb -0.06 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.38 1cee s THR 58 CO 0.00 0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.12 1cee n ALA 59 N 3.82 0.00 -1.00 3.99 0.00 -1.24 -4.75 120.51 121.32 1cee n ALA 59 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1cee n ALA 59 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1cee n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cee n GLY 60 N 0.00 -1.71 2.67 0.00 0.00 -1.26 -4.72 105.19 100.16 1cee n GLY 60 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1cee n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cee s GLN 61 N 0.00 0.06 0.00 1.61 -0.44 -1.26 -4.71 119.66 114.93 1cee s GLN 61 Ca 0.00 -0.05 0.00 0.00 -2.50 0.00 0.00 55.36 52.81 1cee s GLN 61 Cb 0.00 0.00 0.00 0.00 -1.64 0.00 0.00 33.01 31.37 1cee s GLN 61 CO 0.00 -0.08 0.00 -1.91 0.50 0.00 0.00 175.29 173.80 1cee n GLU 62 N 2.91 0.00 0.37 1.67 2.13 -1.26 -4.92 120.64 121.55 1cee n GLU 62 Ca 0.08 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.75 1cee n GLU 62 Cb 0.66 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.29 1cee n GLU 62 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1cee h ASP 63 N 0.00 -0.82 -0.60 4.31 3.58 -2.00 -3.14 116.42 117.75 1cee h ASP 63 Ca 0.00 0.02 -0.21 0.00 0.42 0.00 0.00 57.03 57.26 1cee h ASP 63 Cb 0.00 0.21 -0.12 0.00 1.72 0.00 0.00 39.33 41.14 1cee h ASP 63 CO 0.00 -0.45 0.26 -1.22 -2.88 0.00 0.00 179.24 174.95 1cee n TYR 64 N -5.42 1.95 -0.22 0.28 4.02 -1.26 -4.51 117.16 112.00 1cee n TYR 64 Ca -0.12 -1.06 0.30 0.00 -0.01 0.00 0.00 57.90 57.01 1cee n TYR 64 Cb 0.39 -0.60 0.72 0.00 -0.02 0.00 0.00 39.34 39.82 1cee n TYR 64 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1cee h ASP 65 N 1.79 0.03 0.31 7.72 2.03 -1.90 0.99 116.42 127.39 1cee h ASP 65 Ca 0.25 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.54 1cee h ASP 65 Cb 2.03 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.54 1cee h ASP 65 CO 0.61 0.01 -0.15 0.03 -1.03 0.00 0.00 179.24 178.72 1cee h ARG 66 N 0.03 -0.40 -0.64 4.15 2.47 -1.85 -3.26 114.38 114.89 1cee h ARG 66 Ca 0.47 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 1cee h ARG 66 Cb 1.81 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 30.22 1cee h ARG 66 CO -0.02 -0.06 0.00 1.47 0.56 0.00 0.00 179.97 181.91 1cee n LEU 67 N -5.11 4.84 -0.06 3.04 -0.00 -0.51 -4.50 117.00 114.70 1cee n LEU 67 Ca -0.09 -2.45 -0.02 0.00 -0.00 0.00 0.00 56.01 53.44 1cee n LEU 67 Cb 0.27 -0.61 -0.02 0.00 -0.00 0.00 0.00 43.42 43.06 1cee n LEU 67 CO 0.29 0.67 -0.02 -0.09 -0.00 0.00 0.00 177.39 178.24 1cee h ARG 68 N 3.68 0.00 0.00 1.47 2.43 0.93 -3.35 114.38 119.55 1cee h ARG 68 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cee h ARG 68 Cb 1.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1cee h ARG 68 CO 0.33 0.11 0.00 -0.35 -1.51 0.00 0.00 179.97 178.55 1cee n PRO 69 N -4.74 0.11 0.33 0.20 -0.04 -1.26 -3.13 135.00 126.47 1cee n PRO 69 Ca -0.02 0.22 0.19 0.00 -0.04 0.00 0.00 63.50 63.85 1cee n PRO 69 Cb 0.09 -1.50 1.04 0.00 -0.04 0.00 0.00 33.50 33.09 1cee n PRO 69 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1cee h LEU 70 N 0.00 0.00 -2.74 1.53 3.38 -1.82 0.19 115.31 115.84 1cee h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cee h LEU 70 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1cee h LEU 70 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1cee n SER 71 N -3.07 4.24 -0.02 -0.43 7.64 -1.18 -4.28 113.62 116.52 1cee n SER 71 Ca -0.02 -2.55 -0.19 0.00 1.01 0.00 0.00 58.87 57.12 1cee n SER 71 Cb 0.21 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.69 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1cee n TYR 72 N 0.62 1.00 -1.36 1.43 4.02 0.66 -4.87 117.16 118.66 1cee n TYR 72 Ca 0.21 0.23 -0.52 0.00 -0.01 0.00 0.00 57.90 57.81 1cee n TYR 72 Cb 0.86 -1.14 -0.13 0.00 -0.02 0.00 0.00 39.34 38.91 1cee n TYR 72 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1cee n PRO 73 N -3.37 0.01 -1.86 -0.72 -0.02 -1.26 -1.66 135.00 126.13 1cee n PRO 73 Ca -0.32 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.13 1cee n PRO 73 Cb 1.04 -1.52 0.01 0.00 -0.02 0.00 0.00 33.50 33.02 1cee n PRO 73 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1cee n GLN 74 N 7.93 -0.44 -3.28 -0.52 7.27 -1.26 -5.04 117.38 122.03 1cee n GLN 74 Ca 0.59 0.24 -0.38 0.00 0.07 0.00 0.00 57.00 57.52 1cee n GLN 74 Cb -0.01 -2.40 -0.06 0.00 2.41 0.00 0.00 30.24 30.19 1cee n GLN 74 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1cee s THR 75 N -3.07 4.94 -0.14 1.69 2.01 -0.66 -4.70 115.64 115.71 1cee s THR 75 Ca 0.08 1.13 0.18 0.00 0.31 0.00 0.00 61.69 63.39 1cee s THR 75 Cb -0.01 -3.87 -0.25 0.00 0.01 0.00 0.00 72.50 68.38 1cee s THR 75 CO 0.15 0.45 0.32 0.47 -0.69 0.00 0.00 174.62 175.33 1cee n ASP 76 N 2.56 0.22 -3.52 3.53 8.00 -1.09 -4.99 116.55 121.25 1cee n ASP 76 Ca -0.09 0.10 -0.08 0.00 0.71 0.00 0.00 54.79 55.43 1cee n ASP 76 Cb 0.51 0.95 -0.01 0.00 -0.02 0.00 0.00 41.12 42.56 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1cee s VAL 77 N -2.76 0.00 -0.08 2.53 0.11 -1.21 -4.13 120.40 114.87 1cee s VAL 77 Ca -0.08 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 57.91 1cee s VAL 77 Cb 0.08 -2.34 0.04 0.00 -1.53 0.00 0.00 36.38 32.62 1cee s VAL 77 CO 0.84 0.00 0.04 -0.36 -3.33 0.00 0.00 175.10 172.30 1cee s PHE 78 N -3.33 0.32 -0.57 1.54 0.40 -1.18 -4.10 117.98 111.06 1cee s PHE 78 Ca 0.14 -0.01 -0.23 0.00 -0.60 0.00 0.00 56.93 56.22 1cee s PHE 78 Cb -0.05 -0.64 0.05 0.00 0.51 0.00 0.00 43.02 42.89 1cee s PHE 78 CO 0.09 -0.30 0.89 -0.51 0.70 0.00 0.00 175.22 176.09 1cee s LEU 79 N 2.09 4.33 -0.98 -0.37 1.43 -0.75 -2.33 118.68 122.11 1cee s LEU 79 Ca 0.04 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 1cee s LEU 79 Cb -0.13 -2.65 0.21 0.00 0.03 0.00 0.00 46.19 43.65 1cee s LEU 79 CO -0.05 -1.23 1.02 -0.69 0.23 0.00 0.00 176.35 175.63 1cee s VAL 80 N 3.75 5.48 -0.42 -1.59 1.01 -1.02 0.52 120.40 128.12 1cee s VAL 80 Ca 0.25 -2.58 -0.24 0.00 0.00 0.00 0.00 61.98 59.41 1cee s VAL 80 Cb -0.15 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.63 1cee s VAL 80 CO 0.15 -1.24 0.85 0.00 0.00 0.00 0.00 175.10 174.86 1cee s PHE 82 N 3.42 2.78 -0.43 0.00 -0.71 -0.59 -4.81 117.98 117.63 1cee s PHE 82 Ca 0.33 -0.43 -0.20 0.00 -1.04 0.00 0.00 56.93 55.59 1cee s PHE 82 Cb -0.12 -2.15 0.02 0.00 -1.21 0.00 0.00 43.02 39.57 1cee s PHE 82 CO 0.22 -0.13 0.62 -1.12 -1.34 0.00 0.00 175.22 173.47 1cee s SER 83 N -4.15 6.32 0.45 1.98 0.01 -1.26 -1.61 113.70 115.43 1cee s SER 83 Ca 0.48 -0.33 0.13 0.00 1.31 0.00 0.00 55.95 57.54 1cee s SER 83 Cb -0.05 -2.31 1.00 0.00 0.21 0.00 0.00 66.02 64.87 1cee s SER 83 CO 0.29 -0.73 2.02 0.58 0.41 0.00 0.00 173.24 175.81 1cee h VAL 84 N 5.84 1.10 -0.85 3.43 2.07 -1.60 -1.92 116.25 124.31 1cee h VAL 84 Ca -0.26 -0.44 -0.51 0.00 0.82 0.00 0.00 66.70 66.31 1cee h VAL 84 Cb 1.10 1.11 -0.26 0.00 -1.52 0.00 0.00 31.29 31.72 1cee h VAL 84 CO 0.87 0.14 0.66 1.33 0.02 0.00 0.00 177.57 180.59 1cee n VAL 85 N -4.39 3.15 -3.13 2.57 0.24 -1.26 -0.07 118.33 115.45 1cee n VAL 85 Ca -0.02 -2.12 -0.13 0.00 -2.04 0.00 0.00 64.34 60.03 1cee n VAL 85 Cb 0.19 -0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 31.62 1cee n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cee s SER 86 N -1.12 -0.01 0.47 -1.34 0.15 -0.72 -4.79 113.70 106.34 1cee s SER 86 Ca 0.52 -2.01 0.34 0.00 0.70 0.00 0.00 55.95 55.50 1cee s SER 86 Cb 0.42 0.90 1.49 0.00 -1.71 0.00 0.00 66.02 67.12 1cee s SER 86 CO 0.04 -0.14 1.63 -0.65 1.20 0.00 0.00 173.24 175.32 1cee h PRO 87 N 5.84 0.07 -0.11 5.44 0.11 -1.79 0.17 132.00 141.74 1cee h PRO 87 Ca 0.12 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.27 1cee h PRO 87 Cb 1.04 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1cee h PRO 87 CO 0.17 0.05 -0.20 0.66 -0.21 0.00 0.00 178.00 178.46 1cee h SER 88 N 0.07 -0.61 -0.37 -2.05 4.64 -1.94 -0.34 113.55 112.94 1cee h SER 88 Ca 0.82 0.10 0.07 0.00 -0.47 0.00 0.00 61.79 62.31 1cee h SER 88 Cb 2.75 0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 65.05 1cee h SER 88 CO -0.31 -0.25 -0.04 0.28 -0.87 0.00 0.00 176.83 175.64 1cee h SER 89 N -0.26 -0.24 -0.57 4.97 0.02 -0.94 -2.00 113.55 114.53 1cee h SER 89 Ca 0.09 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 1cee h SER 89 Cb 0.40 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.06 1cee h SER 89 CO -0.26 -0.08 0.19 0.15 -1.14 0.00 0.00 176.83 175.69 1cee h PHE 90 N 0.05 0.33 -0.87 3.45 3.57 -1.29 1.65 116.94 123.84 1cee h PHE 90 Ca 0.18 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1cee h PHE 90 Cb 0.26 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 1cee h PHE 90 CO -0.29 0.08 0.54 1.49 -2.23 0.00 0.00 178.31 177.90 1cee h GLU 91 N 0.36 0.97 0.00 1.11 4.22 -0.37 -1.72 114.58 119.16 1cee h GLU 91 Ca 0.28 -0.06 -0.14 0.00 0.08 0.00 0.00 59.36 59.52 1cee h GLU 91 Cb 0.35 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1cee h GLU 91 CO -0.30 0.64 -0.92 -0.91 -2.18 0.00 0.00 179.01 175.34 1cee h ASN 92 N 0.99 0.00 -0.83 1.04 2.35 -0.83 -3.02 115.58 115.28 1cee h ASN 92 Ca 0.37 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.27 1cee h ASN 92 Cb 0.15 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.43 1cee h ASN 92 CO -0.17 0.58 0.41 0.58 -1.65 0.00 0.00 177.43 177.19 1cee h VAL 93 N 0.00 0.73 0.00 2.81 2.07 0.33 1.37 116.25 123.56 1cee h VAL 93 Ca -0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1cee h VAL 93 Cb 1.50 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1cee h VAL 93 CO 0.06 0.11 -0.95 2.29 0.02 0.00 0.00 177.57 179.10 1cee n LYS 94 N -4.89 0.39 -3.00 1.57 2.85 -1.05 -3.02 118.16 111.01 1cee n LYS 94 Ca 0.16 0.04 -0.16 0.00 -1.05 0.00 0.00 58.31 57.31 1cee n LYS 94 Cb 0.42 -1.67 -0.01 0.00 -0.65 0.00 0.00 35.03 33.11 1cee n LYS 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cee n GLU 95 N -2.20 1.18 0.00 -1.58 -0.58 -0.17 -4.72 120.64 112.57 1cee n GLU 95 Ca 0.02 -3.43 0.00 0.00 -0.42 0.00 0.00 57.16 53.32 1cee n GLU 95 Cb 0.47 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1cee n GLU 95 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1cee n LYS 96 N 0.13 0.00 0.08 3.49 4.76 0.43 -4.61 118.16 122.45 1cee n LYS 96 Ca 0.21 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.54 1cee n LYS 96 Cb 0.70 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.82 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1cee h TRP 97 N 0.00 -0.26 0.44 2.13 4.06 -0.61 -2.92 115.95 118.78 1cee h TRP 97 Ca 0.00 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1cee h TRP 97 Cb 0.00 0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1cee h TRP 97 CO 0.00 0.12 -0.21 0.28 -3.56 0.00 0.00 178.44 175.07 1cee h VAL 98 N -0.88 0.18 -1.02 1.49 2.07 -1.75 -3.28 116.25 113.06 1cee h VAL 98 Ca -0.03 -0.60 0.25 0.00 0.82 0.00 0.00 66.70 67.14 1cee h VAL 98 Cb 0.51 0.28 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 1cee h VAL 98 CO 0.05 0.04 0.62 1.55 0.02 0.00 0.00 177.57 179.85 1cee h PRO 99 N -1.10 0.51 -0.82 1.57 0.13 -1.85 0.50 132.00 130.94 1cee h PRO 99 Ca -0.06 -0.03 0.15 0.00 -0.87 0.00 0.00 66.00 65.19 1cee h PRO 99 Cb 0.51 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.47 1cee h PRO 99 CO 0.10 0.34 0.54 0.93 -0.23 0.00 0.00 178.00 179.67 1cee h GLU 100 N 0.52 0.52 0.09 0.86 4.39 -1.57 0.22 114.58 119.61 1cee h GLU 100 Ca 0.63 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 60.11 1cee h GLU 100 Cb 1.32 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1cee h GLU 100 CO -0.41 0.34 -0.91 0.82 -1.16 0.00 0.00 179.01 177.69 1cee h ILE 101 N 0.53 1.34 -0.23 3.13 2.04 -0.16 -3.32 117.51 120.85 1cee h ILE 101 Ca 0.41 -2.42 0.07 0.00 1.00 0.00 0.00 64.86 63.91 1cee h ILE 101 Cb 0.81 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 1cee h ILE 101 CO -0.16 0.65 0.21 0.71 0.00 0.00 0.00 178.15 179.56 1cee h THR 102 N -0.53 0.63 0.00 -0.27 1.35 -0.32 0.63 112.91 114.40 1cee h THR 102 Ca -0.19 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.59 1cee h THR 102 Cb 1.53 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1cee h THR 102 CO 0.06 0.00 -0.39 -0.74 -0.25 0.00 0.00 175.52 174.19 1cee h HIS 103 N 0.00 0.00 0.07 4.73 6.17 -0.68 -1.94 115.15 123.50 1cee h HIS 103 Ca 0.11 0.00 -0.34 0.00 0.71 0.00 0.00 60.37 60.85 1cee h HIS 103 Cb 0.52 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.42 1cee h HIS 103 CO 0.00 0.39 -1.88 1.58 0.71 0.00 0.00 177.93 178.74 1cee n HIS 104 N -3.99 1.01 -3.27 5.26 -0.00 0.97 -4.86 115.22 110.34 1cee n HIS 104 Ca -0.02 0.27 -0.06 0.00 -0.00 0.00 0.00 57.72 57.91 1cee n HIS 104 Cb 0.43 -1.12 -0.04 0.00 -0.00 0.00 0.00 29.99 29.26 1cee n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cee n PRO 106 N 4.34 0.88 -0.07 0.00 -0.04 -0.73 -3.32 135.00 136.05 1cee n PRO 106 Ca 0.11 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 1cee n PRO 106 Cb 0.52 -1.42 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 1cee n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1cee n LYS 107 N -0.92 0.69 -1.57 0.54 4.01 -1.26 -4.97 118.16 114.68 1cee n LYS 107 Ca 0.18 0.18 -0.39 0.00 -0.51 0.00 0.00 58.31 57.77 1cee n LYS 107 Cb 0.08 -1.61 0.04 0.00 -0.51 0.00 0.00 35.03 33.03 1cee n LYS 107 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1cee n THR 108 N -3.23 3.01 -1.19 -0.18 -2.24 -1.21 -4.96 114.28 104.28 1cee n THR 108 Ca -0.36 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.61 1cee n THR 108 Cb 1.04 -0.99 0.11 0.00 -2.10 0.00 0.00 70.33 68.39 1cee n THR 108 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1cee s PRO 109 N -2.40 1.93 -0.15 -0.78 0.04 -1.26 -4.98 135.00 127.41 1cee s PRO 109 Ca 0.71 1.13 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 1cee s PRO 109 Cb -0.45 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1cee s PRO 109 CO 0.51 -1.87 0.07 -0.06 0.04 0.00 0.00 177.00 175.70 1cee s PHE 110 N -2.88 0.34 -0.21 0.56 0.08 -1.26 -3.08 117.98 111.53 1cee s PHE 110 Ca 0.62 -0.30 -0.22 0.00 0.12 0.00 0.00 56.93 57.15 1cee s PHE 110 Cb -0.18 -0.72 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 1cee s PHE 110 CO 0.56 -0.46 0.71 -1.17 -0.10 0.00 0.00 175.22 174.76 1cee s LEU 111 N 2.09 4.13 -0.36 -0.37 1.98 -0.98 -0.83 118.68 124.33 1cee s LEU 111 Ca 0.02 0.93 -0.20 0.00 -2.89 0.00 0.00 54.13 51.99 1cee s LEU 111 Cb -0.15 -3.02 0.00 0.00 0.66 0.00 0.00 46.19 43.68 1cee s LEU 111 CO -0.08 -0.36 0.60 -0.22 -1.89 0.00 0.00 176.35 174.40 1cee s LEU 112 N 2.22 4.31 -0.21 -0.68 0.20 -0.79 -2.42 118.68 121.31 1cee s LEU 112 Ca 0.32 0.05 0.01 0.00 0.69 0.00 0.00 54.13 55.19 1cee s LEU 112 Cb -0.16 -2.72 0.03 0.00 -0.43 0.00 0.00 46.19 42.91 1cee s LEU 112 CO 0.10 -0.58 -0.14 -0.69 -0.29 0.00 0.00 176.35 174.75 1cee s VAL 113 N 2.62 2.34 -0.42 1.68 1.01 -1.17 0.09 120.40 126.55 1cee s VAL 113 Ca 0.22 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1cee s VAL 113 Cb -0.15 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1cee s VAL 113 CO 0.15 0.36 0.44 -0.83 0.00 0.00 0.00 175.10 175.21 1cee s GLY 114 N 1.27 1.89 0.47 4.51 0.00 0.74 -1.55 107.32 114.66 1cee s GLY 114 Ca 0.01 -1.48 0.08 0.00 0.00 0.00 0.00 44.72 43.33 1cee s GLY 114 CO -0.09 1.16 0.55 -1.59 0.00 0.00 0.00 173.10 173.14 1cee s THR 115 N 2.15 2.54 -0.22 0.90 2.01 -0.63 -0.89 115.64 121.49 1cee s THR 115 Ca 0.12 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 1cee s THR 115 Cb -0.17 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 1cee s THR 115 CO 0.14 0.00 0.19 0.00 -0.69 0.00 0.00 174.62 174.26 1cee n GLN 116 N -1.85 -0.63 0.03 4.92 1.13 -1.26 -1.73 117.38 117.99 1cee n GLN 116 Ca 0.08 0.18 -0.18 0.00 -1.94 0.00 0.00 57.00 55.14 1cee n GLN 116 Cb 0.61 -2.54 -0.14 0.00 0.11 0.00 0.00 30.24 28.28 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1cee h ILE 117 N -0.25 0.89 -1.37 5.09 2.04 -1.87 -3.22 117.51 118.82 1cee h ILE 117 Ca -0.12 -2.59 0.40 0.00 1.00 0.00 0.00 64.86 63.55 1cee h ILE 117 Cb 1.06 2.61 -0.08 0.00 -0.74 0.00 0.00 36.82 39.68 1cee h ILE 117 CO 0.09 0.79 0.95 -2.24 0.00 0.00 0.00 178.15 177.74 1cee h ASP 118 N 0.06 0.14 0.22 1.72 2.03 -1.97 0.63 116.42 119.25 1cee h ASP 118 Ca -0.32 0.05 -0.35 0.00 -0.73 0.00 0.00 57.03 55.68 1cee h ASP 118 Cb 2.03 0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 40.54 1cee h ASP 118 CO 0.12 -0.03 -1.95 0.18 -1.03 0.00 0.00 179.24 176.54 1cee n LEU 119 N -4.33 2.09 0.24 0.15 4.77 -1.26 -3.65 117.00 115.02 1cee n LEU 119 Ca 0.33 0.25 0.17 0.00 -0.03 0.00 0.00 56.01 56.72 1cee n LEU 119 Cb 1.40 -0.71 0.87 0.00 -2.33 0.00 0.00 43.42 42.65 1cee n LEU 119 CO 0.34 0.72 1.14 -0.09 -1.33 0.00 0.00 177.39 178.17 1cee h ARG 120 N 0.05 0.00 -0.60 3.23 2.43 0.09 0.17 114.38 119.75 1cee h ARG 120 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1cee h ARG 120 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1cee h ARG 120 CO 0.08 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.29 1cee n ASP 121 N -3.76 3.67 -4.11 -3.80 9.92 0.53 -4.79 116.55 114.20 1cee n ASP 121 Ca -0.00 -1.99 -0.37 0.00 -0.53 0.00 0.00 54.79 51.91 1cee n ASP 121 Cb 0.24 -0.40 -0.10 0.00 -0.64 0.00 0.00 41.12 40.23 1cee n ASP 121 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1cee s ASP 122 N -1.07 5.27 0.35 -2.24 1.01 0.59 -4.96 116.67 115.62 1cee s ASP 122 Ca 0.42 -2.62 0.14 0.00 0.71 0.00 0.00 52.55 51.21 1cee s ASP 122 Cb 0.22 -1.86 1.03 0.00 1.01 0.00 0.00 42.92 43.32 1cee s ASP 122 CO 0.30 -0.42 1.72 -0.65 0.21 0.00 0.00 175.17 176.32 1cee h PRO 123 N 7.33 0.43 -1.00 8.23 0.11 -1.87 0.47 132.00 145.71 1cee h PRO 123 Ca -0.05 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.25 1cee h PRO 123 Cb 0.98 -0.10 -0.12 0.00 0.11 0.00 0.00 31.00 31.88 1cee h PRO 123 CO 0.71 0.29 0.60 0.77 -0.21 0.00 0.00 178.00 180.16 1cee h SER 124 N 0.44 0.72 0.06 -2.05 0.02 -1.92 1.05 113.55 111.87 1cee h SER 124 Ca 0.66 0.12 -0.31 0.00 -0.84 0.00 0.00 61.79 61.42 1cee h SER 124 Cb 1.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.00 1cee h SER 124 CO -0.45 0.18 -1.73 0.35 -1.14 0.00 0.00 176.83 174.05 1cee n THR 125 N -4.84 1.65 -0.12 -2.27 -2.24 -0.04 -2.98 114.28 103.44 1cee n THR 125 Ca 0.25 -0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.62 1cee n THR 125 Cb 0.66 -1.87 0.01 0.00 -2.10 0.00 0.00 70.33 67.04 1cee n THR 125 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1cee h ILE 126 N -0.46 0.53 0.00 2.28 2.04 -0.48 0.50 117.51 121.92 1cee h ILE 126 Ca -0.41 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1cee h ILE 126 Cb 1.69 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1cee h ILE 126 CO -0.08 0.00 -0.31 -0.33 0.00 0.00 0.00 178.15 177.43 1cee h GLU 127 N -0.05 0.00 -0.24 2.37 4.39 0.96 0.28 114.58 122.29 1cee h GLU 127 Ca 0.19 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 1cee h GLU 127 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1cee h GLU 127 CO -0.44 0.31 -0.03 -0.22 -1.16 0.00 0.00 179.01 177.47 1cee h LYS 128 N 0.00 0.45 0.00 2.33 3.64 -0.85 -3.29 116.57 118.85 1cee h LYS 128 Ca -0.00 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1cee h LYS 128 Cb 0.86 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1cee h LYS 128 CO 0.04 0.66 -1.84 1.47 -2.27 0.00 0.00 179.45 177.50 1cee n LEU 129 N -4.60 0.17 -0.10 5.20 -0.00 -0.49 -4.26 117.00 112.92 1cee n LEU 129 Ca -0.04 0.07 0.26 0.00 -0.00 0.00 0.00 56.01 56.30 1cee n LEU 129 Cb 0.27 0.03 0.60 0.00 -0.00 0.00 0.00 43.42 44.32 1cee n LEU 129 CO 0.38 0.01 1.24 0.00 -0.00 0.00 0.00 177.39 179.02 1cee h ALA 130 N 1.91 2.63 0.00 1.47 0.00 -0.29 0.19 119.26 125.17 1cee h ALA 130 Ca -0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1cee h ALA 130 Cb 1.11 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1cee h ALA 130 CO 0.00 -1.28 -0.52 1.63 0.00 0.00 0.00 179.25 179.08 1cee n LYS 131 N -3.50 0.80 -0.00 0.00 5.02 -1.26 -4.77 118.16 114.45 1cee n LYS 131 Ca 0.17 -2.35 -0.00 0.00 -2.02 0.00 0.00 58.31 54.11 1cee n LYS 131 Cb 1.14 -0.96 -0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1cee n ASN 132 N -0.56 4.71 0.00 4.39 3.02 0.64 -5.01 115.26 122.44 1cee n ASN 132 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1cee n ASN 132 Cb 0.80 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 1cee n ASN 132 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1cee n LYS 133 N -2.13 0.00 -4.60 3.52 -0.00 -1.07 -5.10 118.16 108.77 1cee n LYS 133 Ca -0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.03 1cee n LYS 133 Cb 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 35.43 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1cee s GLN 134 N 0.00 1.93 -0.12 -1.58 -0.21 -1.07 -4.99 119.66 113.62 1cee s GLN 134 Ca 0.00 -2.08 -0.30 0.00 0.02 0.00 0.00 55.36 53.00 1cee s GLN 134 Cb 0.00 -1.62 0.09 0.00 1.00 0.00 0.00 33.01 32.48 1cee s GLN 134 CO 0.00 -0.03 0.80 -1.59 -2.12 0.00 0.00 175.29 172.35 1cee s LYS 135 N -3.70 0.86 0.50 2.91 0.00 -1.26 -2.87 119.74 116.18 1cee s LYS 135 Ca 0.35 0.32 -0.20 0.00 0.00 0.00 0.00 55.97 56.44 1cee s LYS 135 Cb 0.09 0.41 -0.08 0.00 0.00 0.00 0.00 37.83 38.25 1cee s LYS 135 CO 0.18 -0.25 1.05 -1.25 0.00 0.00 0.00 175.35 175.08 1cee s PRO 136 N -0.92 3.71 -0.00 1.78 0.04 -1.26 -3.98 135.00 134.37 1cee s PRO 136 Ca -0.06 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 1cee s PRO 136 Cb -0.01 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1cee s PRO 136 CO 0.06 -0.50 0.27 0.42 0.04 0.00 0.00 177.00 177.28 1cee s ILE 137 N -2.01 5.29 0.32 0.56 -1.09 0.91 -4.98 121.20 120.19 1cee s ILE 137 Ca 0.67 0.24 0.03 0.00 -2.23 0.00 0.00 60.65 59.36 1cee s ILE 137 Cb -0.17 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1cee s ILE 137 CO 0.22 0.40 0.49 0.42 -1.23 0.00 0.00 174.94 175.24 1cee s THR 138 N -1.26 4.97 0.32 2.92 -4.23 -1.26 -4.95 115.64 112.14 1cee s THR 138 Ca 0.26 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1cee s THR 138 Cb -0.13 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.19 1cee s THR 138 CO 0.15 -0.42 1.95 -0.65 -0.54 0.00 0.00 174.62 175.11 1cee h PRO 139 N 0.88 0.97 -0.38 3.99 0.11 -1.99 -1.14 132.00 134.44 1cee h PRO 139 Ca -0.50 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.47 1cee h PRO 139 Cb 1.23 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1cee h PRO 139 CO 0.60 0.64 -0.07 0.93 -0.21 0.00 0.00 178.00 179.89 1cee h GLU 140 N 1.00 0.72 -0.60 1.05 5.08 -1.97 0.77 114.58 120.63 1cee h GLU 140 Ca 0.33 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1cee h GLU 140 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1cee h GLU 140 CO -0.10 0.86 -0.01 1.15 -1.00 0.00 0.00 179.01 179.91 1cee h THR 141 N 0.53 1.27 -0.01 1.13 2.02 -1.86 -1.80 112.91 114.19 1cee h THR 141 Ca 0.10 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 1cee h THR 141 Cb 0.57 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1cee h THR 141 CO 0.03 0.42 -0.22 0.00 0.37 0.00 0.00 175.52 176.13 1cee h ALA 142 N 0.98 0.04 -0.98 6.16 0.00 -1.13 -3.20 119.26 121.12 1cee h ALA 142 Ca 0.17 -0.45 0.21 0.00 0.00 0.00 0.00 54.91 54.85 1cee h ALA 142 Cb 0.58 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1cee h ALA 142 CO 0.03 0.06 0.62 1.49 0.00 0.00 0.00 179.25 181.45 1cee h GLU 143 N -0.50 0.55 -0.07 0.00 4.81 0.57 0.16 114.58 120.09 1cee h GLU 143 Ca -0.02 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1cee h GLU 143 Cb 0.95 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1cee h GLU 143 CO 0.04 0.36 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.32 1cee h LYS 144 N 0.56 -0.20 -0.78 1.92 3.64 -1.32 -0.45 116.57 119.94 1cee h LYS 144 Ca 0.55 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 60.05 1cee h LYS 144 Cb 1.14 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1cee h LYS 144 CO -0.30 -0.13 0.41 -0.07 -2.27 0.00 0.00 179.45 177.08 1cee h LEU 145 N -0.21 0.54 -2.00 5.20 4.07 -0.75 1.21 115.31 123.37 1cee h LEU 145 Ca 0.07 0.06 0.21 0.00 0.08 0.00 0.00 57.88 58.31 1cee h LEU 145 Cb 0.31 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 1cee h LEU 145 CO -0.20 0.29 0.53 0.00 -1.08 0.00 0.00 178.44 177.98 1cee h ALA 146 N 1.47 2.70 0.00 1.53 0.00 0.15 1.29 119.26 126.39 1cee h ALA 146 Ca 0.39 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.93 1cee h ALA 146 Cb 0.43 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1cee h ALA 146 CO -0.28 -0.91 -2.17 2.89 0.00 0.00 0.00 179.25 178.78 1cee n ARG 147 N -4.31 0.67 0.09 0.00 -4.01 0.13 0.88 116.66 110.11 1cee n ARG 147 Ca 0.15 0.11 -0.06 0.00 -1.04 0.00 0.00 57.85 57.00 1cee n ARG 147 Cb 0.80 -1.61 0.05 0.00 -3.04 0.00 0.00 32.46 28.66 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 1cee h ASP 148 N 0.00 0.18 -0.57 2.89 3.58 0.30 -3.06 116.42 119.73 1cee h ASP 148 Ca -0.47 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.85 1cee h ASP 148 Cb 2.14 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 43.14 1cee h ASP 148 CO 0.04 0.88 0.00 0.18 -2.88 0.00 0.00 179.24 177.46 1cee n LEU 149 N -3.70 5.39 -1.87 2.28 4.77 0.43 -4.91 117.00 119.38 1cee n LEU 149 Ca -0.02 -2.73 -0.17 0.00 -0.03 0.00 0.00 56.01 53.05 1cee n LEU 149 Cb 0.74 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1cee n LEU 149 CO 0.46 0.65 -0.19 0.29 -1.33 0.00 0.00 177.39 177.27 1cee n LYS 150 N 0.71 -1.60 -1.84 3.23 5.02 -1.16 -4.91 118.16 117.62 1cee n LYS 150 Ca 0.26 0.93 -0.38 0.00 -2.02 0.00 0.00 58.31 57.11 1cee n LYS 150 Cb 1.11 -5.38 0.04 0.00 -0.02 0.00 0.00 35.03 30.77 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cee s ALA 151 N -2.61 2.74 0.44 7.82 0.00 0.25 -4.66 121.76 125.74 1cee s ALA 151 Ca 0.00 1.26 0.13 0.00 0.00 0.00 0.00 51.96 53.35 1cee s ALA 151 Cb 0.00 -3.54 0.96 0.00 0.00 0.00 0.00 23.12 20.54 1cee s ALA 151 CO 0.00 -1.33 1.99 -0.39 0.00 0.00 0.00 175.76 176.03 1cee h VAL 152 N 1.30 1.13 0.00 0.00 -1.51 -1.20 -3.42 116.25 112.55 1cee h VAL 152 Ca -0.51 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 1cee h VAL 152 Cb 1.30 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 1cee h VAL 152 CO 0.57 0.18 0.00 1.17 -1.23 0.00 0.00 177.57 178.26 1cee n LYS 153 N -4.33 0.00 -4.36 5.19 4.81 -1.26 -5.06 118.16 113.15 1cee n LYS 153 Ca -0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.08 1cee n LYS 153 Cb 0.23 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.18 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1cee s TYR 154 N -2.00 3.09 0.01 5.64 5.04 -1.26 -1.89 117.35 125.98 1cee s TYR 154 Ca 0.00 -0.05 -0.10 0.00 -2.44 0.00 0.00 57.07 54.48 1cee s TYR 154 Cb 0.00 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.42 1cee s TYR 154 CO 0.00 0.19 0.19 0.14 -1.34 0.00 0.00 175.55 174.74 1cee s VAL 155 N -0.16 0.09 0.02 3.14 -7.23 0.11 -4.98 120.40 111.39 1cee s VAL 155 Ca 0.04 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1cee s VAL 155 Cb -0.13 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 1cee s VAL 155 CO 0.02 -0.40 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.61 1cee s GLU 156 N -1.84 1.38 -0.01 4.82 2.02 -1.26 -0.18 118.70 123.63 1cee s GLU 156 Ca -0.11 -0.79 -0.28 0.00 0.02 0.00 0.00 54.97 53.81 1cee s GLU 156 Cb -0.05 -1.41 0.10 0.00 0.10 0.00 0.00 34.13 32.88 1cee s GLU 156 CO 0.00 0.37 0.83 0.00 0.02 0.00 0.00 175.26 176.48 1cee s SER 158 N -2.17 1.83 -0.18 0.00 0.15 -1.25 -3.98 113.70 108.10 1cee s SER 158 Ca 0.02 -1.64 0.09 0.00 0.70 0.00 0.00 55.95 55.12 1cee s SER 158 Cb -0.01 0.46 -0.18 0.00 -1.71 0.00 0.00 66.02 64.59 1cee s SER 158 CO -0.06 -0.94 -0.04 0.00 1.20 0.00 0.00 173.24 173.39 1cee n ALA 159 N -0.66 1.57 0.01 5.45 0.00 -1.26 -2.58 120.51 123.04 1cee n ALA 159 Ca 0.01 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.31 1cee n ALA 159 Cb 0.64 -0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1cee n ALA 159 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cee h LEU 160 N 0.00 -0.04 0.03 0.00 3.38 -1.98 -3.32 115.31 113.39 1cee h LEU 160 Ca -0.46 -0.38 -0.29 0.00 0.09 0.00 0.00 57.88 56.84 1cee h LEU 160 Cb 1.90 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.62 1cee h LEU 160 CO -0.01 0.37 -1.62 0.74 0.09 0.00 0.00 178.44 178.01 1cee h THR 161 N -0.45 0.99 -0.99 0.22 2.02 -2.00 -3.48 112.91 109.21 1cee h THR 161 Ca -0.00 -2.77 -0.22 0.00 0.77 0.00 0.00 66.41 64.18 1cee h THR 161 Cb 0.42 2.54 -0.05 0.00 -1.74 0.00 0.00 68.15 69.32 1cee h THR 161 CO 0.01 0.65 -0.24 0.00 0.37 0.00 0.00 175.52 176.31 1cee n GLN 162 N -3.20 -0.80 -1.52 6.66 6.02 -1.07 -4.90 117.38 118.58 1cee n GLN 162 Ca -0.16 0.71 -0.47 0.00 -0.01 0.00 0.00 57.00 57.07 1cee n GLN 162 Cb 1.03 -4.73 -0.05 0.00 1.02 0.00 0.00 30.24 27.51 1cee n GLN 162 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1cee n LYS 163 N -2.38 1.49 -1.74 -1.09 0.00 -1.26 -1.01 118.16 112.17 1cee n LYS 163 Ca -0.12 0.40 -0.13 0.00 0.00 0.00 0.00 58.31 58.47 1cee n LYS 163 Cb 0.47 -2.82 -0.04 0.00 0.00 0.00 0.00 35.03 32.64 1cee n LYS 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1cee n GLY 164 N 6.18 0.60 0.42 3.14 0.00 -1.26 -3.82 105.19 110.46 1cee n GLY 164 Ca 0.36 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.63 1cee n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cee h LEU 165 N 0.00 0.38 0.00 0.99 5.85 -1.34 -1.62 115.31 119.58 1cee h LEU 165 Ca -0.27 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1cee h LEU 165 Cb 0.96 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1cee h LEU 165 CO 0.37 0.06 -0.50 0.50 -0.34 0.00 0.00 178.44 178.52 1cee h LYS 166 N 0.33 0.00 -1.23 1.25 3.64 -1.86 -3.35 116.57 115.34 1cee h LYS 166 Ca 0.61 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 60.34 1cee h LYS 166 Cb 1.66 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.41 1cee h LYS 166 CO -0.28 0.81 0.86 -0.91 -2.27 0.00 0.00 179.45 177.66 1cee h ASN 167 N -1.00 0.14 0.85 4.20 2.35 -1.79 -1.33 115.58 119.00 1cee h ASN 167 Ca -0.13 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1cee h ASN 167 Cb 0.96 0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.36 1cee h ASN 167 CO -0.08 0.00 -0.41 0.58 -1.65 0.00 0.00 177.43 175.88 1cee h VAL 168 N 0.11 0.15 -0.74 2.81 2.07 -1.45 -2.82 116.25 116.37 1cee h VAL 168 Ca 0.63 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 68.12 1cee h VAL 168 Cb 2.24 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 1cee h VAL 168 CO -0.12 0.00 0.47 -0.26 0.02 0.00 0.00 177.57 177.68 1cee h PHE 169 N -1.17 0.95 -0.48 1.57 0.04 -1.43 -1.17 116.94 115.26 1cee h PHE 169 Ca -0.12 0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.80 1cee h PHE 169 Cb 0.88 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1cee h PHE 169 CO -0.01 0.62 0.38 -0.44 -0.60 0.00 0.00 178.31 178.26 1cee h ASP 170 N 1.01 0.00 0.16 2.17 5.19 -1.25 -0.57 116.42 123.12 1cee h ASP 170 Ca 0.27 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.42 1cee h ASP 170 Cb -0.08 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.45 1cee h ASP 170 CO -0.05 0.00 -1.23 -0.08 -3.12 0.00 0.00 179.24 174.76 1cee h GLU 171 N 0.00 0.33 0.21 3.56 4.22 -0.98 -3.08 114.58 118.84 1cee h GLU 171 Ca 0.23 -0.57 -0.00 0.00 0.08 0.00 0.00 59.36 59.10 1cee h GLU 171 Cb 0.98 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1cee h GLU 171 CO -0.00 1.27 -0.32 0.00 -2.18 0.00 0.00 179.01 177.77 1cee h ALA 172 N 0.05 -0.93 -0.31 2.92 0.00 -0.68 1.16 119.26 121.47 1cee h ALA 172 Ca -0.24 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1cee h ALA 172 Cb 1.82 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 20.16 1cee h ALA 172 CO 0.14 -0.97 -0.48 0.82 0.00 0.00 0.00 179.25 178.76 1cee h ILE 173 N -0.56 0.07 -0.85 0.00 5.03 -1.47 1.49 117.51 121.23 1cee h ILE 173 Ca -0.02 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 64.95 1cee h ILE 173 Cb 0.52 0.07 -0.04 0.00 -3.03 0.00 0.00 36.82 34.33 1cee h ILE 173 CO -0.10 0.00 0.60 0.25 -0.68 0.00 0.00 178.15 178.22 1cee h LEU 174 N -0.42 0.07 0.06 1.44 5.85 -1.41 0.15 115.31 121.04 1cee h LEU 174 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1cee h LEU 174 Cb 0.62 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1cee h LEU 174 CO -0.53 0.02 -0.03 0.00 -0.34 0.00 0.00 178.44 177.57 1cee h ALA 175 N 1.59 -0.08 -0.36 1.25 0.00 0.86 -3.35 119.26 119.17 1cee h ALA 175 Ca 0.41 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1cee h ALA 175 Cb 1.53 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 1cee h ALA 175 CO -0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 179.25 178.96 1cee h ALA 176 N -0.35 0.15 -3.22 0.00 0.00 0.27 -3.42 119.26 112.69 1cee h ALA 176 Ca -0.01 0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 1cee h ALA 176 Cb 0.57 0.37 0.17 0.00 0.00 0.00 0.00 17.79 18.89 1cee h ALA 176 CO 0.01 -0.51 0.02 1.28 0.00 0.00 0.00 179.25 180.05 1cee n LEU 177 N -5.33 0.00 -3.63 0.00 4.77 0.43 -4.77 117.00 108.46 1cee n LEU 177 Ca 0.01 -0.88 -0.04 0.00 -0.03 0.00 0.00 56.01 55.08 1cee n LEU 177 Cb 0.24 -0.82 -0.01 0.00 -2.33 0.00 0.00 43.42 40.50 1cee n LEU 177 CO 0.15 -2.15 0.81 -1.83 -1.33 0.00 0.00 177.39 173.04 1cee s GLU 178 N -4.92 0.82 0.00 3.23 -1.05 -1.26 -4.93 118.70 110.58 1cee s GLU 178 Ca 0.57 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.99 1cee s GLU 178 Cb -0.07 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1cee s GLU 178 CO 0.45 -0.37 0.08 -0.35 0.95 0.00 0.00 175.26 176.02