#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 3.39 -0.05 0.03 1.11 -1.26 -5.09 119.66 117.78 1cee s GLN 2 Ca 0.00 -0.24 -0.03 0.00 0.01 0.00 0.00 55.36 55.10 1cee s GLN 2 Cb 0.00 -3.11 0.02 0.00 -1.01 0.00 0.00 33.01 28.91 1cee s GLN 2 CO 0.00 0.73 0.12 0.99 0.01 0.00 0.00 175.29 177.14 1cee s THR 3 N -1.13 -0.03 -0.14 -0.19 2.01 -1.26 -3.09 115.64 111.80 1cee s THR 3 Ca 0.20 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 1cee s THR 3 Cb -0.12 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1cee s THR 3 CO 0.10 0.04 0.36 -0.63 -0.69 0.00 0.00 174.62 173.80 1cee s ILE 4 N 0.62 5.26 -1.17 1.82 1.09 -1.01 -4.91 121.20 122.89 1cee s ILE 4 Ca -0.05 0.70 -0.12 0.00 -1.10 0.00 0.00 60.65 60.09 1cee s ILE 4 Cb -0.06 -3.70 0.21 0.00 -1.06 0.00 0.00 42.46 37.85 1cee s ILE 4 CO -0.03 0.37 1.31 -0.75 -0.10 0.00 0.00 174.94 175.74 1cee s LYS 5 N 0.51 4.13 -0.23 2.79 2.47 -1.26 0.16 119.74 128.31 1cee s LYS 5 Ca 0.20 -2.82 -0.22 0.00 -1.56 0.00 0.00 55.97 51.57 1cee s LYS 5 Cb -0.14 -4.87 -0.02 0.00 -1.46 0.00 0.00 37.83 31.35 1cee s LYS 5 CO 0.06 -1.56 0.69 0.00 0.16 0.00 0.00 175.35 174.70 1cee s VAL 7 N 2.37 1.09 0.28 0.00 1.01 -1.26 -1.47 120.40 122.43 1cee s VAL 7 Ca 0.30 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 1cee s VAL 7 Cb -0.16 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.11 1cee s VAL 7 CO 0.09 0.36 0.71 -0.69 0.00 0.00 0.00 175.10 175.57 1cee s VAL 8 N 0.99 4.68 -0.22 2.92 1.01 -1.18 -2.44 120.40 126.17 1cee s VAL 8 Ca -0.08 0.98 -0.04 0.00 0.00 0.00 0.00 61.98 62.84 1cee s VAL 8 Cb -0.15 -3.67 0.11 0.00 0.00 0.00 0.00 36.38 32.67 1cee s VAL 8 CO -0.00 -0.07 0.31 0.68 0.00 0.00 0.00 175.10 176.02 1cee s VAL 9 N -1.84 -0.48 0.22 2.92 -7.23 0.12 -3.84 120.40 110.26 1cee s VAL 9 Ca 0.50 -0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.62 1cee s VAL 9 Cb -0.12 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 1cee s VAL 9 CO 0.19 -0.12 0.18 -0.83 -0.31 0.00 0.00 175.10 174.20 1cee s GLY 10 N 2.45 1.48 -0.03 2.32 0.00 -1.26 -2.88 107.32 109.39 1cee s GLY 10 Ca 0.09 -1.68 -0.21 0.00 0.00 0.00 0.00 44.72 42.92 1cee s GLY 10 CO -0.14 -1.34 0.62 -0.35 0.00 0.00 0.00 173.10 171.90 1cee s ASP 11 N -3.18 6.96 0.25 1.64 2.15 -1.26 -4.58 116.67 118.66 1cee s ASP 11 Ca 0.38 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.50 1cee s ASP 11 Cb 0.06 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1cee s ASP 11 CO 0.14 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 1cee n GLY 12 N 2.75 0.46 2.86 2.66 0.00 -1.26 -4.26 105.19 108.40 1cee n GLY 12 Ca -0.05 0.61 -0.14 0.00 0.00 0.00 0.00 46.02 46.44 1cee n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cee s ALA 13 N -1.00 -0.08 0.02 4.61 0.00 -1.26 -4.59 121.76 119.46 1cee s ALA 13 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1cee s ALA 13 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1cee s ALA 13 CO 0.00 -0.10 0.00 1.33 0.00 0.00 0.00 175.76 176.99 1cee n VAL 14 N 3.85 0.03 0.00 0.00 0.24 -1.26 -4.91 118.33 116.28 1cee n VAL 14 Ca -0.23 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1cee n VAL 14 Cb 0.53 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 1.96 0.04 0.09 7.63 0.00 -1.26 -4.20 105.19 109.46 1cee n GLY 15 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1cee n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cee h LYS 16 N 0.00 0.00 0.02 1.61 2.10 -1.98 -3.13 116.57 115.19 1cee h LYS 16 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1cee h LYS 16 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1cee h LYS 16 CO 0.00 0.78 -0.64 1.15 -2.00 0.00 0.00 179.45 178.74 1cee h THR 17 N 0.00 1.38 -0.18 0.07 2.02 -1.96 -2.77 112.91 111.46 1cee h THR 17 Ca -0.03 -2.30 0.05 0.00 0.77 0.00 0.00 66.41 64.91 1cee h THR 17 Cb 1.65 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 70.93 1cee h THR 17 CO 0.10 0.51 0.17 0.00 0.37 0.00 0.00 175.52 176.68 1cee h LEU 19 N 0.00 0.61 -1.35 0.00 6.46 -1.66 -3.11 115.31 116.25 1cee h LEU 19 Ca 0.09 -0.94 0.16 0.00 -0.12 0.00 0.00 57.88 57.07 1cee h LEU 19 Cb 0.44 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.10 1cee h LEU 19 CO -0.00 1.79 0.58 -0.07 -0.62 0.00 0.00 178.44 180.11 1cee h LEU 20 N 0.09 0.58 -0.03 2.25 3.38 -1.01 0.20 115.31 120.76 1cee h LEU 20 Ca -0.35 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 1cee h LEU 20 Cb 2.08 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.78 1cee h LEU 20 CO 0.17 0.27 -0.56 0.40 0.09 0.00 0.00 178.44 178.81 1cee h ILE 21 N 0.60 1.41 0.00 1.22 1.08 -1.57 -2.53 117.51 117.72 1cee h ILE 21 Ca 0.46 -1.99 0.00 0.00 -0.39 0.00 0.00 64.86 62.93 1cee h ILE 21 Cb 0.86 2.48 0.00 0.00 -3.07 0.00 0.00 36.82 37.08 1cee h ILE 21 CO -0.20 0.58 0.00 -1.20 -0.69 0.00 0.00 178.15 176.64 1cee n SER 22 N -4.23 0.00 -0.11 1.72 7.64 -0.53 -0.13 113.62 117.97 1cee n SER 22 Ca -0.10 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1cee n SER 22 Cb 0.64 -0.32 -0.14 0.00 -1.01 0.00 0.00 64.21 63.38 1cee n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cee n TYR 23 N -1.32 0.00 -0.07 1.43 9.36 0.60 -2.89 117.16 124.27 1cee n TYR 23 Ca 0.08 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.17 1cee n TYR 23 Cb 0.16 -1.00 -0.14 0.00 -0.63 0.00 0.00 39.34 37.73 1cee n TYR 23 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1cee n THR 24 N -2.94 1.53 0.24 2.97 -2.24 -0.96 -4.46 114.28 108.42 1cee n THR 24 Ca -0.38 -0.75 0.08 0.00 -2.27 0.00 0.00 64.05 60.73 1cee n THR 24 Cb 1.09 -1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 1cee n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1cee n THR 25 N -3.05 0.00 -1.24 4.28 -2.24 0.81 -4.99 114.28 107.86 1cee n THR 25 Ca -0.31 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.10 1cee n THR 25 Cb 1.08 0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.81 -4.15 -4.36 3.42 2.85 -1.08 -4.97 115.26 105.15 1cee n ASN 26 Ca -0.01 0.20 -0.23 0.00 -0.11 0.00 0.00 54.58 54.43 1cee n ASN 26 Cb 0.35 -2.37 -0.11 0.00 1.24 0.00 0.00 39.78 38.89 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1cee s LYS 27 N -2.56 1.36 -0.42 1.20 2.47 -1.25 -4.92 119.74 115.62 1cee s LYS 27 Ca 0.00 -1.47 -0.05 0.00 -1.56 0.00 0.00 55.97 52.90 1cee s LYS 27 Cb 0.00 -1.47 0.11 0.00 -1.46 0.00 0.00 37.83 35.01 1cee s LYS 27 CO 0.00 0.30 0.24 0.12 0.16 0.00 0.00 175.35 176.17 1cee s PHE 28 N -2.03 3.53 0.66 4.03 5.36 -1.26 -1.91 117.98 126.36 1cee s PHE 28 Ca 0.18 -2.24 -0.14 0.00 -0.96 0.00 0.00 56.93 53.78 1cee s PHE 28 Cb -0.06 -3.26 -0.01 0.00 -0.34 0.00 0.00 43.02 39.35 1cee s PHE 28 CO 0.08 -0.97 1.07 -1.25 -1.46 0.00 0.00 175.22 172.69 1cee s PRO 29 N 1.21 2.98 -0.02 10.12 0.04 -1.26 -4.99 135.00 143.08 1cee s PRO 29 Ca 0.07 1.17 0.16 0.00 0.04 0.00 0.00 61.00 62.44 1cee s PRO 29 Cb -0.24 -1.99 -0.23 0.00 0.04 0.00 0.00 34.50 32.09 1cee s PRO 29 CO -0.03 -1.08 0.41 0.43 0.04 0.00 0.00 177.00 176.77 1cee n SER 30 N -2.58 1.25 -4.66 6.66 7.64 -1.26 -5.00 113.62 115.67 1cee n SER 30 Ca 0.09 -0.20 -0.44 0.00 1.01 0.00 0.00 58.87 59.33 1cee n SER 30 Cb 0.53 1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 65.27 1cee n SER 30 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1cee n GLU 31 N -1.89 1.85 -3.79 1.43 4.07 -1.26 -4.98 120.64 116.06 1cee n GLU 31 Ca -0.02 0.65 -0.29 0.00 -0.06 0.00 0.00 57.16 57.44 1cee n GLU 31 Cb 0.37 -2.19 -0.16 0.00 -0.06 0.00 0.00 31.44 29.40 1cee n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 1cee s TYR 32 N -0.73 1.68 0.00 4.31 5.04 -1.26 -4.84 117.35 121.54 1cee s TYR 32 Ca 0.61 -1.45 0.00 0.00 -2.44 0.00 0.00 57.07 53.79 1cee s TYR 32 Cb -0.64 -1.46 0.00 0.00 0.35 0.00 0.00 41.96 40.21 1cee s TYR 32 CO 0.57 -0.75 0.00 0.28 -1.34 0.00 0.00 175.55 174.31 1cee n VAL 33 N 4.86 0.00 -1.43 3.14 0.31 -1.26 -5.11 118.33 118.84 1cee n VAL 33 Ca -0.07 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.79 1cee n VAL 33 Cb 0.44 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.27 1cee n VAL 33 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1cee n PRO 34 N 0.00 0.50 -3.12 5.55 -0.02 -1.26 -4.83 135.00 131.82 1cee n PRO 34 Ca 0.00 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 1cee n PRO 34 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1cee n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cee s THR 35 N 8.29 -0.38 0.42 3.45 2.01 -1.26 -5.02 115.64 123.15 1cee s THR 35 Ca 1.18 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1cee s THR 35 Cb -1.02 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 71.15 1cee s THR 35 CO 0.49 0.00 0.00 0.52 -0.69 0.00 0.00 174.62 174.94 1cee n VAL 36 N 5.02 0.00 -2.91 3.82 0.31 -1.26 -4.90 118.33 118.41 1cee n VAL 36 Ca 0.09 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.43 1cee n VAL 36 Cb 0.58 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 -1.84 -0.75 -0.28 3.52 5.36 -1.26 -4.61 117.98 118.11 1cee s PHE 37 Ca 0.00 0.13 -0.04 0.00 -0.96 0.00 0.00 56.93 56.06 1cee s PHE 37 Cb 0.00 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 1cee s PHE 37 CO 0.00 -0.51 0.02 -0.51 -1.46 0.00 0.00 175.22 172.76 1cee s ASP 38 N 1.99 4.79 -0.27 6.13 1.01 -1.26 -5.00 116.67 124.05 1cee s ASP 38 Ca 0.15 -0.83 -0.08 0.00 0.71 0.00 0.00 52.55 52.51 1cee s ASP 38 Cb 0.01 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 1cee s ASP 38 CO -0.13 -0.17 0.09 0.21 0.21 0.00 0.00 175.17 175.37 1cee s ASN 39 N 1.41 5.21 0.15 0.27 3.04 -1.26 -3.29 114.94 120.47 1cee s ASN 39 Ca 0.01 -0.38 0.10 0.00 0.04 0.00 0.00 52.86 52.63 1cee s ASN 39 Cb -0.17 -1.93 -0.04 0.00 -1.54 0.00 0.00 41.25 37.57 1cee s ASN 39 CO -0.01 -0.10 -0.24 -0.31 -3.04 0.00 0.00 177.10 173.41 1cee s TYR 40 N 1.59 2.14 -0.16 0.43 2.02 -0.88 -5.01 117.35 117.48 1cee s TYR 40 Ca 0.05 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1cee s TYR 40 Cb -0.16 -1.11 0.03 0.00 -0.40 0.00 0.00 41.96 40.31 1cee s TYR 40 CO 0.04 0.37 -0.13 0.00 -1.57 0.00 0.00 175.55 174.26 1cee s ALA 41 N -1.44 1.88 -0.08 3.71 0.00 -1.26 -0.93 121.76 123.63 1cee s ALA 41 Ca 0.15 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 1cee s ALA 41 Cb -0.09 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1cee s ALA 41 CO 0.07 -0.46 0.08 0.08 0.00 0.00 0.00 175.76 175.54 1cee s VAL 42 N 1.47 4.95 -0.37 0.00 1.01 -0.75 -4.90 120.40 121.80 1cee s VAL 42 Ca 0.04 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1cee s VAL 42 Cb -0.13 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1cee s VAL 42 CO -0.10 0.55 0.22 -0.89 0.00 0.00 0.00 175.10 174.87 1cee s THR 43 N -1.03 4.72 0.21 3.92 2.01 -1.26 0.10 115.64 124.31 1cee s THR 43 Ca 0.17 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.49 1cee s THR 43 Cb -0.12 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1cee s THR 43 CO 0.06 -0.21 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.92 1cee s VAL 44 N 1.59 1.93 -0.97 3.82 1.01 -1.05 -4.93 120.40 121.80 1cee s VAL 44 Ca 0.03 -2.20 -0.18 0.00 0.00 0.00 0.00 61.98 59.63 1cee s VAL 44 Cb -0.19 -2.06 0.14 0.00 0.00 0.00 0.00 36.38 34.27 1cee s VAL 44 CO 0.07 -0.49 1.17 -0.04 0.00 0.00 0.00 175.10 175.81 1cee s MET 45 N -3.44 3.67 -0.29 2.72 -1.94 -1.26 0.21 119.30 118.96 1cee s MET 45 Ca 0.23 -1.89 -0.09 0.00 -1.71 0.00 0.00 55.69 52.23 1cee s MET 45 Cb -0.03 -4.93 -0.02 0.00 2.01 0.00 0.00 34.83 31.86 1cee s MET 45 CO 0.09 -1.77 0.14 0.42 -0.01 0.00 0.00 175.02 173.89 1cee s ILE 46 N 2.50 4.60 -0.19 2.53 1.01 -0.85 -4.34 121.20 126.45 1cee s ILE 46 Ca 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1cee s ILE 46 Cb -0.05 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1cee s ILE 46 CO -0.08 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1cee n GLY 47 N 4.98 0.54 1.51 6.18 0.00 -1.26 -3.14 105.19 114.00 1cee n GLY 47 Ca -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.58 0.57 2.98 -0.02 0.00 -1.26 -5.05 105.19 99.83 1cee n GLY 48 Ca -0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.93 0.32 -0.45 1.61 2.02 -1.19 -5.09 118.70 114.99 1cee s GLU 49 Ca 0.00 -0.59 -0.27 0.00 0.02 0.00 0.00 54.97 54.13 1cee s GLU 49 Cb 0.00 0.05 -0.05 0.00 0.10 0.00 0.00 34.13 34.23 1cee s GLU 49 CO 0.00 -0.03 2.25 -2.14 0.02 0.00 0.00 175.26 175.36 1cee s PRO 50 N -1.39 2.44 0.56 0.39 0.02 -1.26 -2.01 135.00 133.75 1cee s PRO 50 Ca -0.14 1.40 0.08 0.00 0.02 0.00 0.00 61.00 62.36 1cee s PRO 50 Cb -0.09 -4.49 0.09 0.00 0.02 0.00 0.00 34.50 30.03 1cee s PRO 50 CO -0.01 -2.90 0.77 0.66 -0.33 0.00 0.00 177.00 175.20 1cee n TYR 51 N 14.32 -2.38 -3.64 6.54 4.02 0.13 -4.75 117.16 131.41 1cee n TYR 51 Ca 0.32 -1.97 -0.23 0.00 -0.01 0.00 0.00 57.90 56.00 1cee n TYR 51 Cb 0.52 -0.53 -0.17 0.00 -0.02 0.00 0.00 39.34 39.13 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 -2.44 -0.10 0.01 -0.72 2.01 -1.18 -2.52 115.64 110.71 1cee s THR 52 Ca 0.58 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.40 1cee s THR 52 Cb -0.04 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1cee s THR 52 CO 0.37 -0.08 0.86 -0.22 -0.69 0.00 0.00 174.62 174.86 1cee s LEU 53 N 2.15 4.39 -0.60 4.42 2.96 0.29 -2.41 118.68 129.88 1cee s LEU 53 Ca 0.03 1.52 -0.21 0.00 -0.22 0.00 0.00 54.13 55.25 1cee s LEU 53 Cb -0.14 -3.38 0.08 0.00 0.50 0.00 0.00 46.19 43.25 1cee s LEU 53 CO -0.06 -0.13 0.81 -0.83 -1.32 0.00 0.00 176.35 174.82 1cee s GLY 54 N 0.57 1.59 -0.10 7.98 0.00 0.42 -1.82 107.32 115.95 1cee s GLY 54 Ca 0.45 -1.94 -0.23 0.00 0.00 0.00 0.00 44.72 42.99 1cee s GLY 54 CO 0.25 1.79 0.71 1.08 0.00 0.00 0.00 173.10 176.93 1cee s LEU 55 N 3.31 4.26 0.02 0.66 2.01 -0.11 -0.42 118.68 128.42 1cee s LEU 55 Ca 0.17 1.13 0.02 0.00 0.01 0.00 0.00 54.13 55.46 1cee s LEU 55 Cb -0.20 -3.08 -0.02 0.00 0.01 0.00 0.00 46.19 42.91 1cee s LEU 55 CO 0.09 -0.19 -0.06 -0.36 1.01 0.00 0.00 176.35 176.84 1cee s PHE 56 N 1.21 0.56 -0.17 0.29 0.40 -0.54 -2.08 117.98 117.64 1cee s PHE 56 Ca 0.36 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1cee s PHE 56 Cb -0.17 -0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.05 1cee s PHE 56 CO 0.16 -0.06 -0.10 -0.51 0.70 0.00 0.00 175.22 175.41 1cee s ASP 57 N -0.98 2.94 0.60 1.36 1.11 -1.21 -3.12 116.67 117.37 1cee s ASP 57 Ca -0.05 -0.66 0.00 0.00 0.18 0.00 0.00 52.55 52.02 1cee s ASP 57 Cb -0.07 -1.11 0.05 0.00 1.07 0.00 0.00 42.92 42.86 1cee s ASP 57 CO 0.00 -0.12 0.84 0.42 1.18 0.00 0.00 175.17 177.49 1cee s THR 58 N 1.50 2.52 -0.22 -1.27 -4.23 -1.25 -4.16 115.64 108.53 1cee s THR 58 Ca 0.02 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1cee s THR 58 Cb -0.15 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.81 1cee s THR 58 CO -0.09 0.00 -0.10 0.00 -0.54 0.00 0.00 174.62 173.89 1cee s ALA 59 N -2.88 2.60 0.57 3.99 0.00 -1.26 -4.75 121.76 120.03 1cee s ALA 59 Ca 0.59 -1.37 0.31 0.00 0.00 0.00 0.00 51.96 51.49 1cee s ALA 59 Cb -0.09 -1.53 1.45 0.00 0.00 0.00 0.00 23.12 22.94 1cee s ALA 59 CO 0.40 -0.65 1.83 0.78 0.00 0.00 0.00 175.76 178.12 1cee h GLY 60 N 7.98 0.00 -1.98 0.00 0.00 -1.81 -3.42 103.07 103.85 1cee h GLY 60 Ca -0.37 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.42 1cee h GLY 60 CO 0.59 0.00 0.46 1.20 0.00 0.00 0.00 176.54 178.79 1cee s GLN 61 N -4.75 2.43 0.03 4.80 -0.21 -1.26 -4.78 119.66 115.92 1cee s GLN 61 Ca -0.04 1.92 0.22 0.00 0.02 0.00 0.00 55.36 57.48 1cee s GLN 61 Cb 0.18 -1.85 -0.14 0.00 1.00 0.00 0.00 33.01 32.21 1cee s GLN 61 CO 0.65 -1.65 0.82 0.39 -2.12 0.00 0.00 175.29 173.37 1cee n GLU 62 N -2.18 0.42 0.22 2.91 -0.58 -1.26 -4.20 120.64 115.96 1cee n GLU 62 Ca 0.15 -0.06 0.13 0.00 -0.42 0.00 0.00 57.16 56.96 1cee n GLU 62 Cb 0.49 -1.58 0.74 0.00 -0.57 0.00 0.00 31.44 30.51 1cee n GLU 62 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1cee h ASP 63 N 0.00 0.00 -0.02 1.62 3.58 -1.94 0.16 116.42 119.82 1cee h ASP 63 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cee h ASP 63 Cb 0.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1cee h ASP 63 CO 0.00 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.14 1cee n TYR 64 N -4.24 0.02 -0.19 0.28 4.02 -1.26 -3.99 117.16 111.80 1cee n TYR 64 Ca -0.00 -0.01 0.29 0.00 -0.01 0.00 0.00 57.90 58.17 1cee n TYR 64 Cb 0.21 0.00 0.73 0.00 -0.02 0.00 0.00 39.34 40.25 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 0.23 0.00 -0.29 7.72 2.03 -0.94 1.23 116.42 126.40 1cee h ASP 65 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1cee h ASP 65 Cb 0.05 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.54 1cee h ASP 65 CO 0.00 0.00 0.17 0.03 -1.03 0.00 0.00 179.24 178.41 1cee h ARG 66 N 0.00 0.39 -0.14 4.15 2.47 -1.81 -3.13 114.38 116.31 1cee h ARG 66 Ca 0.44 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.12 1cee h ARG 66 Cb 1.83 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 30.07 1cee h ARG 66 CO -0.00 0.31 -0.01 1.47 0.56 0.00 0.00 179.97 182.30 1cee n LEU 67 N -4.85 3.18 0.04 3.04 -0.00 0.18 -4.75 117.00 113.84 1cee n LEU 67 Ca -0.02 -3.07 -0.06 0.00 -0.00 0.00 0.00 56.01 52.86 1cee n LEU 67 Cb 0.05 -0.49 -0.04 0.00 -0.00 0.00 0.00 43.42 42.94 1cee n LEU 67 CO 0.35 0.71 0.17 -0.09 -0.00 0.00 0.00 177.39 178.52 1cee h ARG 68 N 0.96 -0.19 0.00 1.47 2.43 0.15 -3.30 114.38 115.89 1cee h ARG 68 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1cee h ARG 68 Cb 1.24 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1cee h ARG 68 CO 0.12 0.03 0.08 -1.00 -1.51 0.00 0.00 179.97 177.70 1cee h PRO 69 N -1.02 0.00 0.00 0.20 0.13 -1.83 -1.55 132.00 127.93 1cee h PRO 69 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1cee h PRO 69 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 1cee h PRO 69 CO 0.03 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 177.73 1cee h LEU 70 N 0.00 0.00 -1.52 1.56 3.38 -1.89 -1.17 115.31 115.68 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 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 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 -2.59 2.21 -2.30 -0.43 7.64 -0.58 -4.11 113.62 113.46 1cee n SER 71 Ca -0.01 -2.03 -0.19 0.00 1.01 0.00 0.00 58.87 57.65 1cee n SER 71 Cb 0.09 -0.29 0.02 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.64 2.45 -0.68 1.43 4.01 -0.44 -4.85 117.16 119.71 1cee n TYR 72 Ca 0.13 -2.38 0.52 0.00 -0.16 0.00 0.00 57.90 56.02 1cee n TYR 72 Cb 0.36 -0.28 0.81 0.00 -0.31 0.00 0.00 39.34 39.93 1cee n TYR 72 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1cee h PRO 73 N 2.38 0.00 0.00 -0.72 0.11 -1.76 -3.15 132.00 128.86 1cee h PRO 73 Ca 0.22 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 1cee h PRO 73 Cb 1.37 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.38 1cee h PRO 73 CO 0.64 0.00 0.11 0.94 -0.21 0.00 0.00 178.00 179.48 1cee n GLN 74 N -4.00 0.30 -1.70 1.05 -0.06 -1.26 -5.13 117.38 106.58 1cee n GLN 74 Ca 0.44 -0.78 -0.63 0.00 -2.00 0.00 0.00 57.00 54.03 1cee n GLN 74 Cb 1.96 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 28.05 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1cee n THR 75 N -0.51 0.09 -0.01 1.69 -1.04 -1.19 -4.82 114.28 108.48 1cee n THR 75 Ca -0.23 -0.02 -0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1cee n THR 75 Cb 0.66 -0.67 -0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1cee n THR 75 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1cee h ASP 76 N 5.37 0.00 -1.12 8.00 3.32 -1.84 -3.48 116.42 126.67 1cee h ASP 76 Ca -0.46 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.08 1cee h ASP 76 Cb 1.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 1cee h ASP 76 CO 0.92 0.12 -0.29 0.54 -1.72 0.00 0.00 179.24 178.81 1cee s VAL 77 N -1.17 2.33 -0.09 -1.35 0.11 -1.25 -2.80 120.40 116.18 1cee s VAL 77 Ca -0.01 -1.28 -0.02 0.00 -2.93 0.00 0.00 61.98 57.73 1cee s VAL 77 Cb 0.00 -2.61 0.04 0.00 -1.53 0.00 0.00 36.38 32.28 1cee s VAL 77 CO 0.02 0.00 0.03 -0.36 -3.33 0.00 0.00 175.10 171.46 1cee s PHE 78 N -2.58 0.48 -0.59 1.54 0.08 -1.02 -4.19 117.98 111.71 1cee s PHE 78 Ca 0.48 -0.16 -0.20 0.00 0.12 0.00 0.00 56.93 57.16 1cee s PHE 78 Cb -0.04 -0.73 0.08 0.00 -0.57 0.00 0.00 43.02 41.76 1cee s PHE 78 CO 0.29 -0.35 0.76 -0.51 -0.10 0.00 0.00 175.22 175.30 1cee s LEU 79 N 2.03 5.02 -0.81 -0.37 1.02 -1.02 0.31 118.68 124.86 1cee s LEU 79 Ca 0.04 -1.18 -0.16 0.00 0.02 0.00 0.00 54.13 52.85 1cee s LEU 79 Cb -0.13 -2.38 0.17 0.00 0.02 0.00 0.00 46.19 43.87 1cee s LEU 79 CO -0.06 -1.15 0.86 -0.69 0.02 0.00 0.00 176.35 175.34 1cee s VAL 80 N 3.04 5.21 -0.41 -1.59 1.01 -0.53 0.13 120.40 127.26 1cee s VAL 80 Ca 0.15 -1.94 -0.22 0.00 0.00 0.00 0.00 61.98 59.97 1cee s VAL 80 Cb -0.21 -4.56 0.02 0.00 0.00 0.00 0.00 36.38 31.62 1cee s VAL 80 CO 0.09 -1.19 0.72 0.00 0.00 0.00 0.00 175.10 174.72 1cee s PHE 82 N 3.01 2.53 -0.11 0.00 -0.71 -1.00 -4.08 117.98 117.62 1cee s PHE 82 Ca 0.27 -0.26 -0.30 0.00 -1.04 0.00 0.00 56.93 55.60 1cee s PHE 82 Cb -0.13 -1.21 -0.02 0.00 -1.21 0.00 0.00 43.02 40.45 1cee s PHE 82 CO 0.19 0.55 1.26 -1.12 -1.34 0.00 0.00 175.22 174.76 1cee s SER 83 N -2.99 6.97 0.29 1.98 0.01 -1.26 -1.92 113.70 116.77 1cee s SER 83 Ca 0.25 1.78 0.08 0.00 1.31 0.00 0.00 55.95 59.38 1cee s SER 83 Cb -0.08 -2.55 0.42 0.00 0.21 0.00 0.00 66.02 64.02 1cee s SER 83 CO 0.15 -0.70 1.66 0.58 0.41 0.00 0.00 173.24 175.33 1cee h VAL 84 N 5.29 1.36 -0.67 3.43 2.07 -1.76 -2.95 116.25 123.03 1cee h VAL 84 Ca -0.30 -1.78 -0.37 0.00 0.82 0.00 0.00 66.70 65.06 1cee h VAL 84 Cb 1.13 1.91 -0.21 0.00 -1.52 0.00 0.00 31.29 32.61 1cee h VAL 84 CO 0.93 0.52 0.47 1.33 0.02 0.00 0.00 177.57 180.84 1cee n VAL 85 N -3.93 2.60 -3.18 2.57 0.24 -1.26 0.20 118.33 115.56 1cee n VAL 85 Ca -0.02 -1.44 0.02 0.00 -2.04 0.00 0.00 64.34 60.86 1cee n VAL 85 Cb 0.54 -0.76 -0.01 0.00 -1.47 0.00 0.00 33.84 32.14 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 -0.54 -1.37 0.59 -1.34 0.15 -1.11 -4.55 113.70 105.52 1cee s SER 86 Ca 0.39 -0.13 0.33 0.00 0.70 0.00 0.00 55.95 57.24 1cee s SER 86 Cb 0.33 1.91 1.78 0.00 -1.71 0.00 0.00 66.02 68.32 1cee s SER 86 CO 0.06 -0.27 1.99 -0.65 1.20 0.00 0.00 173.24 175.57 1cee h PRO 87 N 7.76 0.00 0.00 5.44 0.11 -1.80 -3.10 132.00 140.41 1cee h PRO 87 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cee h PRO 87 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1cee h PRO 87 CO 0.15 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.81 1cee n SER 88 N -2.79 0.00 -0.27 -2.05 3.41 -1.26 0.76 113.62 111.42 1cee n SER 88 Ca -0.02 1.00 0.08 0.00 -0.26 0.00 0.00 58.87 59.66 1cee n SER 88 Cb 0.21 -0.50 0.21 0.00 -0.26 0.00 0.00 64.21 63.88 1cee n SER 88 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1cee h SER 89 N 0.00 0.05 -0.91 4.04 0.87 -1.85 0.33 113.55 116.08 1cee h SER 89 Ca 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1cee h SER 89 Cb 0.00 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1cee h SER 89 CO 0.00 -0.05 0.57 0.15 -0.53 0.00 0.00 176.83 176.97 1cee h PHE 90 N 0.28 1.18 -0.22 2.24 3.04 -1.57 0.87 116.94 122.76 1cee h PHE 90 Ca 0.46 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.41 1cee h PHE 90 Cb 0.82 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1cee h PHE 90 CO -0.25 0.77 0.12 0.93 -2.02 0.00 0.00 178.31 177.85 1cee h GLU 91 N 1.25 0.29 0.04 1.11 5.08 0.43 -1.33 114.58 121.45 1cee h GLU 91 Ca 0.33 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.38 1cee h GLU 91 Cb -0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1cee h GLU 91 CO -0.07 0.22 -1.59 -0.91 -1.00 0.00 0.00 179.01 175.67 1cee h ASN 92 N 0.30 0.14 -0.71 1.42 2.35 -0.07 -3.10 115.58 115.92 1cee h ASN 92 Ca 0.08 -0.25 0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1cee h ASN 92 Cb 0.01 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 1cee h ASN 92 CO -0.01 1.21 0.37 0.58 -1.65 0.00 0.00 177.43 177.93 1cee h VAL 93 N 0.02 0.89 0.00 2.81 2.07 0.15 1.91 116.25 124.11 1cee h VAL 93 Ca -0.25 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1cee h VAL 93 Cb 1.98 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1cee h VAL 93 CO 0.11 0.12 -0.01 0.07 0.02 0.00 0.00 177.57 177.88 1cee h LYS 94 N 0.64 0.00 -1.16 1.57 2.10 -1.39 -3.15 116.57 115.18 1cee h LYS 94 Ca 0.34 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.61 1cee h LYS 94 Cb 0.32 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 31.35 1cee h LYS 94 CO -0.24 0.01 -0.88 0.39 -2.00 0.00 0.00 179.45 176.73 1cee n GLU 95 N -3.10 0.97 0.00 0.07 1.02 -0.01 -4.82 120.64 114.77 1cee n GLU 95 Ca 0.03 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.41 1cee n GLU 95 Cb 0.47 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1cee n GLU 95 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1cee n LYS 96 N 0.40 0.00 0.04 3.49 3.00 0.63 -4.69 118.16 121.03 1cee n LYS 96 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.35 1cee n LYS 96 Cb 0.67 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.56 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1cee h TRP 97 N 0.00 0.28 0.08 5.64 4.06 -1.35 -3.10 115.95 121.56 1cee h TRP 97 Ca 0.00 -0.20 -0.14 0.00 2.06 0.00 0.00 58.89 60.61 1cee h TRP 97 Cb 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 28.16 1cee h TRP 97 CO 0.00 1.25 -0.64 0.28 -3.56 0.00 0.00 178.44 175.77 1cee h VAL 98 N 0.04 1.51 -0.78 1.49 2.07 -1.77 -3.34 116.25 115.47 1cee h VAL 98 Ca -0.22 -2.43 0.02 0.00 0.82 0.00 0.00 66.70 64.90 1cee h VAL 98 Cb 1.97 3.14 -0.04 0.00 -1.52 0.00 0.00 31.29 34.84 1cee h VAL 98 CO 0.14 0.65 0.52 -0.65 0.02 0.00 0.00 177.57 178.24 1cee h PRO 99 N -0.62 0.97 -0.53 1.57 0.11 -1.85 0.15 132.00 131.80 1cee h PRO 99 Ca -0.13 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.03 1cee h PRO 99 Cb 1.42 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1cee h PRO 99 CO 0.06 0.64 0.36 0.93 -0.21 0.00 0.00 178.00 179.79 1cee h GLU 100 N 1.00 0.26 0.06 1.05 4.39 -1.67 -1.76 114.58 117.91 1cee h GLU 100 Ca 0.30 -0.02 -0.38 0.00 0.34 0.00 0.00 59.36 59.61 1cee h GLU 100 Cb -0.02 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1cee h GLU 100 CO -0.08 0.17 -2.21 0.44 -1.16 0.00 0.00 179.01 176.16 1cee n ILE 101 N -4.45 1.63 0.02 3.13 -5.35 -0.67 -3.94 119.36 109.73 1cee n ILE 101 Ca 0.09 -0.59 0.22 0.00 -0.27 0.00 0.00 62.75 62.20 1cee n ILE 101 Cb 0.41 -1.61 0.71 0.00 -1.74 0.00 0.00 39.64 37.41 1cee n ILE 101 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1cee h THR 102 N -0.04 0.34 0.07 7.28 1.35 -0.43 1.53 112.91 123.02 1cee h THR 102 Ca -0.50 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.11 1cee h THR 102 Cb 1.93 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1cee h THR 102 CO -0.02 0.00 -1.13 -0.74 -0.25 0.00 0.00 175.52 173.38 1cee h HIS 103 N 0.00 0.31 0.12 4.73 2.76 -1.48 -2.57 115.15 119.02 1cee h HIS 103 Ca 0.26 -0.22 -0.32 0.00 -2.20 0.00 0.00 60.37 57.88 1cee h HIS 103 Cb 1.38 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 1cee h HIS 103 CO 0.00 1.16 -1.71 0.45 -1.30 0.00 0.00 177.93 176.53 1cee h HIS 104 N 0.05 0.47 -1.76 5.26 -0.00 0.19 -3.44 115.15 115.92 1cee h HIS 104 Ca -0.08 -0.34 -0.37 0.00 -0.00 0.00 0.00 60.37 59.57 1cee h HIS 104 Cb 1.86 -0.02 -0.28 0.00 -0.00 0.00 0.00 27.41 28.97 1cee h HIS 104 CO 0.04 1.67 -0.72 0.00 -0.00 0.00 0.00 177.93 178.92 1cee n PRO 106 N 3.30 0.56 -0.08 0.00 -0.04 -0.97 -2.86 135.00 134.91 1cee n PRO 106 Ca 0.20 0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1cee n PRO 106 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.07 1.18 -1.75 0.54 4.01 -1.26 -4.99 118.16 114.82 1cee n LYS 107 Ca 0.14 -0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.51 1cee n LYS 107 Cb 0.09 -1.44 -0.01 0.00 -0.51 0.00 0.00 35.03 33.17 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 -2.63 1.80 -1.62 -0.18 -2.24 -1.13 -4.93 114.28 103.35 1cee n THR 108 Ca -0.28 -0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 60.66 1cee n THR 108 Cb 1.05 -1.87 0.03 0.00 -2.10 0.00 0.00 70.33 67.44 1cee n THR 108 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cee n PRO 109 N 0.80 1.22 -3.82 -0.78 -0.04 -1.12 -4.93 135.00 126.32 1cee n PRO 109 Ca 0.04 0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.65 1cee n PRO 109 Cb 0.38 -2.15 -0.15 0.00 -0.04 0.00 0.00 33.50 31.54 1cee n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1cee s PHE 110 N -1.39 2.06 -0.05 0.54 0.08 -1.26 -2.42 117.98 115.54 1cee s PHE 110 Ca 0.69 -1.78 -0.27 0.00 0.12 0.00 0.00 56.93 55.69 1cee s PHE 110 Cb -0.48 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1cee s PHE 110 CO 0.52 -0.82 0.85 -1.17 -0.10 0.00 0.00 175.22 174.50 1cee s LEU 111 N 1.50 4.32 -0.50 -0.37 1.98 0.15 -0.58 118.68 125.17 1cee s LEU 111 Ca 0.04 1.40 -0.14 0.00 -2.89 0.00 0.00 54.13 52.54 1cee s LEU 111 Cb -0.18 -3.33 0.11 0.00 0.66 0.00 0.00 46.19 43.45 1cee s LEU 111 CO -0.15 -0.23 0.44 -0.22 -1.89 0.00 0.00 176.35 174.29 1cee s LEU 112 N 1.11 5.90 0.11 -0.68 0.20 -0.70 -1.45 118.68 123.18 1cee s LEU 112 Ca 0.44 -1.66 0.03 0.00 0.69 0.00 0.00 54.13 53.62 1cee s LEU 112 Cb -0.19 -2.16 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1cee s LEU 112 CO 0.22 -0.76 0.19 -0.69 -0.29 0.00 0.00 176.35 175.01 1cee s VAL 113 N 1.57 4.98 -0.06 1.68 1.01 -0.35 0.37 120.40 129.60 1cee s VAL 113 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1cee s VAL 113 Cb -0.27 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1cee s VAL 113 CO 0.03 0.01 -0.03 -0.83 0.00 0.00 0.00 175.10 174.28 1cee s GLY 114 N -2.84 0.48 0.48 4.51 0.00 0.04 -2.36 107.32 107.63 1cee s GLY 114 Ca 0.33 -0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.98 1cee s GLY 114 CO 0.26 0.69 0.07 -1.59 0.00 0.00 0.00 173.10 172.52 1cee s THR 115 N 1.30 1.54 0.00 0.90 2.01 -0.81 -1.38 115.64 119.21 1cee s THR 115 Ca -0.05 -1.91 0.00 0.00 0.31 0.00 0.00 61.69 60.04 1cee s THR 115 Cb -0.14 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1cee s THR 115 CO -0.02 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.91 1cee n GLN 116 N -1.25 0.00 0.14 4.92 1.13 -1.26 -2.56 117.38 118.50 1cee n GLN 116 Ca -0.12 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 54.98 1cee n GLN 116 Cb 0.66 -2.46 0.03 0.00 0.11 0.00 0.00 30.24 28.58 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 0.00 0.71 -0.70 5.09 2.04 -1.89 -3.29 117.51 119.47 1cee h ILE 117 Ca 0.00 -2.03 0.13 0.00 1.00 0.00 0.00 64.86 63.96 1cee h ILE 117 Cb 0.98 2.31 -0.13 0.00 -0.74 0.00 0.00 36.82 39.25 1cee h ILE 117 CO 0.00 0.40 -0.28 0.44 0.00 0.00 0.00 178.15 178.71 1cee h ASP 118 N 0.00 -1.01 0.23 1.72 5.19 -1.96 0.29 116.42 120.88 1cee h ASP 118 Ca -0.02 0.24 -0.23 0.00 -0.62 0.00 0.00 57.03 56.39 1cee h ASP 118 Cb 1.35 0.56 0.01 0.00 0.18 0.00 0.00 39.33 41.43 1cee h ASP 118 CO 0.05 -0.28 -0.94 -0.07 -3.12 0.00 0.00 179.24 174.88 1cee h LEU 119 N -0.08 0.64 -1.94 1.55 3.38 -1.93 -3.12 115.31 113.81 1cee h LEU 119 Ca 0.30 -0.50 0.12 0.00 0.09 0.00 0.00 57.88 57.89 1cee h LEU 119 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1cee h LEU 119 CO -0.75 1.29 0.32 -0.09 0.09 0.00 0.00 178.44 179.30 1cee h ARG 120 N 0.29 0.06 -0.60 1.13 2.43 -1.07 0.45 114.38 117.07 1cee h ARG 120 Ca -0.09 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1cee h ARG 120 Cb 1.57 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 1cee h ARG 120 CO 0.17 0.04 0.00 -0.25 -1.51 0.00 0.00 179.97 178.42 1cee n ASP 121 N -4.42 3.44 -4.03 -3.80 8.00 0.84 -4.74 116.55 111.84 1cee n ASP 121 Ca 0.08 -2.14 -0.33 0.00 0.71 0.00 0.00 54.79 53.11 1cee n ASP 121 Cb 0.49 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 41.02 1cee n ASP 121 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1cee s ASP 122 N -0.93 4.80 0.25 -2.24 1.01 0.16 -4.97 116.67 114.75 1cee s ASP 122 Ca 0.40 -2.56 -0.03 0.00 0.71 0.00 0.00 52.55 51.07 1cee s ASP 122 Cb 0.23 -1.71 0.48 0.00 1.01 0.00 0.00 42.92 42.93 1cee s ASP 122 CO 0.24 -0.36 1.74 -0.65 0.21 0.00 0.00 175.17 176.35 1cee h PRO 123 N 7.21 0.48 -0.78 8.23 0.11 -1.85 0.49 132.00 145.89 1cee h PRO 123 Ca -0.06 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.21 1cee h PRO 123 Cb 0.97 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 1cee h PRO 123 CO 0.65 0.32 0.54 0.66 -0.21 0.00 0.00 178.00 179.95 1cee h SER 124 N 0.50 0.20 0.05 -2.05 4.64 -1.93 0.50 113.55 115.46 1cee h SER 124 Ca 0.43 0.02 -0.36 0.00 -0.47 0.00 0.00 61.79 61.41 1cee h SER 124 Cb 0.64 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 1cee h SER 124 CO -0.39 0.09 -2.06 0.35 -0.87 0.00 0.00 176.83 173.95 1cee n THR 125 N -4.41 1.63 -0.31 2.95 -2.24 0.04 -2.93 114.28 109.01 1cee n THR 125 Ca 0.16 -0.48 0.04 0.00 -2.27 0.00 0.00 64.05 61.49 1cee n THR 125 Cb 0.71 -1.73 0.18 0.00 -2.10 0.00 0.00 70.33 67.39 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 -0.28 0.92 0.00 2.28 2.04 0.48 -0.12 117.51 122.83 1cee h ILE 126 Ca -0.49 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 1cee h ILE 126 Cb 1.81 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1cee h ILE 126 CO -0.08 0.16 -0.38 -0.33 0.00 0.00 0.00 178.15 177.52 1cee h GLU 127 N 0.87 0.00 -0.20 2.37 5.08 -0.20 -1.18 114.58 121.31 1cee h GLU 127 Ca 0.42 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 1cee h GLU 127 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1cee h GLU 127 CO -0.25 0.26 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.80 1cee h LYS 128 N 0.00 0.36 0.00 2.33 3.64 -0.93 -3.28 116.57 118.69 1cee h LYS 128 Ca -0.01 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 1cee h LYS 128 Cb 1.22 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1cee h LYS 128 CO 0.03 0.56 -1.65 1.47 -2.27 0.00 0.00 179.45 177.60 1cee n LEU 129 N -4.68 0.46 0.03 5.20 -0.00 -0.70 -4.11 117.00 113.19 1cee n LEU 129 Ca -0.04 0.19 0.21 0.00 -0.00 0.00 0.00 56.01 56.37 1cee n LEU 129 Cb 0.23 0.08 0.62 0.00 -0.00 0.00 0.00 43.42 44.35 1cee n LEU 129 CO 0.37 0.07 1.19 0.00 -0.00 0.00 0.00 177.39 179.03 1cee h ALA 130 N 1.68 2.31 -0.02 1.47 0.00 -1.21 0.38 119.26 123.86 1cee h ALA 130 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1cee h ALA 130 Cb 1.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1cee h ALA 130 CO 0.02 -1.00 0.00 1.63 0.00 0.00 0.00 179.25 179.90 1cee n LYS 131 N -3.41 2.68 -0.08 0.00 5.02 -1.25 -4.66 118.16 116.45 1cee n LYS 131 Ca 0.11 -1.45 -0.09 0.00 -2.02 0.00 0.00 58.31 54.86 1cee n LYS 131 Cb 0.91 -1.02 -0.12 0.00 -0.02 0.00 0.00 35.03 34.79 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 -0.40 1.38 0.00 4.39 3.02 0.13 -4.99 115.26 118.78 1cee n ASN 132 Ca 0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1cee n ASN 132 Cb 0.24 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 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 -2.67 0.00 -2.88 3.52 2.85 -0.88 -5.10 118.16 113.00 1cee n LYS 133 Ca -0.27 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.80 1cee n LYS 133 Cb 0.98 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 35.39 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cee s GLN 134 N 0.00 2.70 -0.25 -1.58 -0.21 -1.01 -5.02 119.66 114.28 1cee s GLN 134 Ca 0.00 -1.10 -0.26 0.00 0.02 0.00 0.00 55.36 54.02 1cee s GLN 134 Cb 0.00 -2.66 0.13 0.00 1.00 0.00 0.00 33.01 31.48 1cee s GLN 134 CO 0.00 -0.46 1.05 -1.59 -2.12 0.00 0.00 175.29 172.17 1cee s LYS 135 N -4.51 0.50 0.11 2.91 0.00 -1.26 -3.34 119.74 114.15 1cee s LYS 135 Ca 0.56 0.47 -0.31 0.00 0.00 0.00 0.00 55.97 56.69 1cee s LYS 135 Cb -0.10 0.24 -0.07 0.00 0.00 0.00 0.00 37.83 37.90 1cee s LYS 135 CO 0.35 -0.09 1.25 -1.25 0.00 0.00 0.00 175.35 175.61 1cee s PRO 136 N -0.09 4.42 -0.06 1.78 0.04 -1.26 -4.10 135.00 135.73 1cee s PRO 136 Ca 0.02 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1cee s PRO 136 Cb -0.04 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 1cee s PRO 136 CO -0.05 -0.25 1.09 0.42 0.04 0.00 0.00 177.00 178.25 1cee s ILE 137 N 0.71 4.54 0.66 0.56 -1.09 0.13 -4.99 121.20 121.72 1cee s ILE 137 Ca 0.58 1.83 -0.15 0.00 -2.23 0.00 0.00 60.65 60.68 1cee s ILE 137 Cb -0.32 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 36.38 1cee s ILE 137 CO 0.32 0.03 1.10 0.42 -1.23 0.00 0.00 174.94 175.58 1cee s THR 138 N 1.87 3.34 0.43 2.92 -4.23 -1.26 -4.91 115.64 113.80 1cee s THR 138 Ca 0.52 0.61 0.11 0.00 -1.18 0.00 0.00 61.69 61.75 1cee s THR 138 Cb -0.22 -3.13 0.21 0.00 1.34 0.00 0.00 72.50 70.70 1cee s THR 138 CO 0.22 -0.40 2.02 1.55 -0.54 0.00 0.00 174.62 177.46 1cee h PRO 139 N -0.01 0.23 -0.47 3.99 0.13 -2.00 -2.37 132.00 131.51 1cee h PRO 139 Ca -0.46 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.50 1cee h PRO 139 Cb 1.24 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1cee h PRO 139 CO 0.54 0.26 -0.22 0.93 -0.23 0.00 0.00 178.00 179.28 1cee h GLU 140 N 0.22 0.97 0.46 0.86 5.08 -1.98 0.29 114.58 120.49 1cee h GLU 140 Ca 0.05 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1cee h GLU 140 Cb 0.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1cee h GLU 140 CO 0.00 1.10 -0.22 1.15 -1.00 0.00 0.00 179.01 180.04 1cee h THR 141 N 0.82 0.55 -0.03 1.13 2.02 -1.81 0.15 112.91 115.76 1cee h THR 141 Ca 0.10 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1cee h THR 141 Cb 0.80 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1cee h THR 141 CO 0.07 0.00 0.01 0.00 0.37 0.00 0.00 175.52 175.97 1cee h ALA 142 N -0.08 0.03 -0.72 6.16 0.00 -1.52 -2.86 119.26 120.28 1cee h ALA 142 Ca -0.06 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1cee h ALA 142 Cb 0.48 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1cee h ALA 142 CO 0.10 -0.39 0.27 1.49 0.00 0.00 0.00 179.25 180.72 1cee h GLU 143 N -0.11 0.41 -0.77 0.00 4.81 -0.87 0.76 114.58 118.81 1cee h GLU 143 Ca 0.01 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.36 1cee h GLU 143 Cb 0.15 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.34 1cee h GLU 143 CO -0.00 0.27 0.31 1.57 -0.73 0.00 0.00 179.01 180.43 1cee h LYS 144 N 0.42 0.43 -0.40 1.92 2.10 -0.47 0.13 116.57 120.71 1cee h LYS 144 Ca 0.39 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.96 1cee h LYS 144 Cb 0.57 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1cee h LYS 144 CO -0.39 0.28 0.05 -0.07 -2.00 0.00 0.00 179.45 177.32 1cee h LEU 145 N 0.44 0.65 -1.91 7.07 3.38 -0.79 0.19 115.31 124.34 1cee h LEU 145 Ca 0.43 -0.27 0.22 0.00 0.09 0.00 0.00 57.88 58.35 1cee h LEU 145 Cb 0.66 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1cee h LEU 145 CO -0.41 0.76 0.65 0.00 0.09 0.00 0.00 178.44 179.53 1cee h ALA 146 N 0.91 2.63 0.01 1.53 0.00 0.96 1.46 119.26 126.77 1cee h ALA 146 Ca 0.12 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.63 1cee h ALA 146 Cb 0.40 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1cee h ALA 146 CO 0.01 -1.05 -2.31 0.54 0.00 0.00 0.00 179.25 176.44 1cee n ARG 147 N -3.96 0.68 0.06 0.00 1.74 -0.70 -0.12 116.66 114.36 1cee n ARG 147 Ca 0.16 0.11 -0.08 0.00 -0.77 0.00 0.00 57.85 57.28 1cee n ARG 147 Cb 0.93 -1.57 0.07 0.00 -1.02 0.00 0.00 32.46 30.87 1cee n ARG 147 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1cee h ASP 148 N 0.01 0.39 -0.34 0.55 3.32 0.13 -2.99 116.42 117.49 1cee h ASP 148 Ca -0.52 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.29 1cee h ASP 148 Cb 2.07 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.50 1cee h ASP 148 CO -0.00 0.95 0.00 0.18 -1.72 0.00 0.00 179.24 178.64 1cee n LEU 149 N -3.86 2.95 -1.21 1.55 7.99 0.48 -4.86 117.00 120.05 1cee n LEU 149 Ca -0.03 -1.49 -0.16 0.00 -0.01 0.00 0.00 56.01 54.32 1cee n LEU 149 Cb 0.66 -0.47 -0.07 0.00 -0.11 0.00 0.00 43.42 43.44 1cee n LEU 149 CO 0.46 0.48 -0.15 0.29 -1.51 0.00 0.00 177.39 176.96 1cee n LYS 150 N 0.45 -1.55 -1.91 3.23 5.02 -1.13 -4.92 118.16 117.36 1cee n LYS 150 Ca 0.14 1.05 -0.39 0.00 -2.02 0.00 0.00 58.31 57.09 1cee n LYS 150 Cb 0.59 -5.45 0.01 0.00 -0.02 0.00 0.00 35.03 30.16 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 -2.36 3.21 0.46 7.82 0.00 0.83 -4.68 121.76 127.04 1cee s ALA 151 Ca 0.00 1.35 0.12 0.00 0.00 0.00 0.00 51.96 53.44 1cee s ALA 151 Cb 0.00 -3.54 1.06 0.00 0.00 0.00 0.00 23.12 20.63 1cee s ALA 151 CO 0.00 -1.05 2.07 -0.39 0.00 0.00 0.00 175.76 176.39 1cee h VAL 152 N 2.29 1.07 0.00 0.00 -1.51 -1.02 -3.40 116.25 113.67 1cee h VAL 152 Ca -0.50 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1cee h VAL 152 Cb 1.26 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1cee h VAL 152 CO 0.61 0.08 0.00 0.29 -1.23 0.00 0.00 177.57 177.33 1cee n LYS 153 N -4.46 -0.13 -4.64 5.19 4.76 -1.26 -5.06 118.16 112.56 1cee n LYS 153 Ca -0.01 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.10 1cee n LYS 153 Cb 0.12 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.17 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1cee s TYR 154 N -2.00 2.82 0.07 2.13 5.04 -1.26 -1.72 117.35 122.43 1cee s TYR 154 Ca 0.00 -0.77 -0.04 0.00 -2.44 0.00 0.00 57.07 53.82 1cee s TYR 154 Cb 0.00 -1.88 -0.03 0.00 0.35 0.00 0.00 41.96 40.41 1cee s TYR 154 CO 0.00 -0.31 0.05 0.14 -1.34 0.00 0.00 175.55 174.09 1cee s VAL 155 N 0.57 0.19 0.18 3.14 -7.23 0.16 -4.99 120.40 112.41 1cee s VAL 155 Ca -0.08 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1cee s VAL 155 Cb -0.16 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 1cee s VAL 155 CO 0.03 -0.85 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.29 1cee s GLU 156 N -3.91 1.16 -0.12 4.82 2.02 -1.26 -0.78 118.70 120.63 1cee s GLU 156 Ca 0.07 -1.53 -0.29 0.00 0.02 0.00 0.00 54.97 53.24 1cee s GLU 156 Cb 0.07 -0.66 0.07 0.00 0.10 0.00 0.00 34.13 33.71 1cee s GLU 156 CO -0.10 0.03 0.71 0.00 0.02 0.00 0.00 175.26 175.93 1cee s SER 158 N -0.72 1.13 0.09 0.00 0.15 -1.18 -4.40 113.70 108.76 1cee s SER 158 Ca -0.07 -0.17 0.14 0.00 0.70 0.00 0.00 55.95 56.54 1cee s SER 158 Cb -0.02 -0.18 -0.14 0.00 -1.71 0.00 0.00 66.02 63.98 1cee s SER 158 CO 0.07 0.10 0.98 0.00 1.20 0.00 0.00 173.24 175.58 1cee h ALA 159 N 6.05 0.64 0.00 5.45 0.00 -1.89 0.21 119.26 129.72 1cee h ALA 159 Ca -0.32 -0.94 -0.23 0.00 0.00 0.00 0.00 54.91 53.43 1cee h ALA 159 Cb 1.18 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1cee h ALA 159 CO 0.49 1.09 -1.14 1.25 0.00 0.00 0.00 179.25 180.94 1cee h LEU 160 N 0.00 0.00 0.00 0.00 5.85 -1.96 -3.36 115.31 115.83 1cee h LEU 160 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1cee h LEU 160 Cb 1.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1cee h LEU 160 CO 0.07 1.00 -0.86 0.41 -0.34 0.00 0.00 178.44 178.72 1cee n THR 161 N -3.29 0.00 -1.79 1.05 -1.04 -1.26 -4.99 114.28 102.97 1cee n THR 161 Ca -0.03 -0.25 -0.17 0.00 -2.04 0.00 0.00 64.05 61.56 1cee n THR 161 Cb 0.96 0.65 -0.05 0.00 -1.82 0.00 0.00 70.33 70.07 1cee n THR 161 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee n GLN 162 N -1.48 -1.27 -1.70 -2.82 6.02 0.74 -4.88 117.38 112.00 1cee n GLN 162 Ca -0.00 1.02 -0.38 0.00 -0.01 0.00 0.00 57.00 57.64 1cee n GLN 162 Cb 0.16 -5.34 -0.03 0.00 1.02 0.00 0.00 30.24 26.05 1cee n GLN 162 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1cee s LYS 163 N -3.95 2.36 -0.78 -1.09 2.47 -1.22 -2.10 119.74 115.44 1cee s LYS 163 Ca 0.00 1.27 0.00 0.00 -1.56 0.00 0.00 55.97 55.68 1cee s LYS 163 Cb 0.00 -4.50 0.00 0.00 -1.46 0.00 0.00 37.83 31.87 1cee s LYS 163 CO 0.00 -3.00 0.00 0.41 0.16 0.00 0.00 175.35 172.92 1cee n GLY 164 N 5.89 0.83 0.41 5.54 0.00 -1.26 -3.12 105.19 113.47 1cee n GLY 164 Ca 0.32 -0.16 0.25 0.00 0.00 0.00 0.00 46.02 46.43 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 0.43 0.02 0.99 5.85 -1.64 -1.78 115.31 119.17 1cee h LEU 165 Ca -0.15 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 1cee h LEU 165 Cb 0.84 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1cee h LEU 165 CO 0.22 0.04 -0.62 0.50 -0.34 0.00 0.00 178.44 178.24 1cee h LYS 166 N 0.35 0.04 -0.90 1.25 3.64 -1.89 -3.37 116.57 115.70 1cee h LYS 166 Ca 0.63 -0.07 0.25 0.00 -1.27 0.00 0.00 60.65 60.19 1cee h LYS 166 Cb 1.65 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 33.35 1cee h LYS 166 CO -0.33 1.04 0.27 -0.91 -2.27 0.00 0.00 179.45 177.25 1cee h ASN 167 N -0.89 0.04 0.28 4.20 4.21 -1.71 -0.92 115.58 120.78 1cee h ASN 167 Ca -0.16 0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 1cee h ASN 167 Cb 1.22 0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 38.66 1cee h ASN 167 CO -0.06 -0.17 -0.42 0.58 -1.29 0.00 0.00 177.43 176.07 1cee h VAL 168 N 0.21 0.00 -0.90 2.81 2.07 -1.55 -1.02 116.25 117.86 1cee h VAL 168 Ca 0.58 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.22 1cee h VAL 168 Cb 1.20 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1cee h VAL 168 CO -0.67 0.00 0.58 -0.26 0.02 0.00 0.00 177.57 177.24 1cee h PHE 169 N -0.74 0.93 -0.68 1.57 0.04 -1.47 -0.81 116.94 115.78 1cee h PHE 169 Ca -0.03 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.82 1cee h PHE 169 Cb 0.68 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.48 1cee h PHE 169 CO -0.31 0.39 0.38 -0.44 -0.60 0.00 0.00 178.31 177.73 1cee h ASP 170 N 0.83 0.58 -0.33 2.17 5.19 -0.55 -1.01 116.42 123.30 1cee h ASP 170 Ca 0.44 0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.69 1cee h ASP 170 Cb 0.53 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1cee h ASP 170 CO -0.20 0.38 -0.49 -0.08 -3.12 0.00 0.00 179.24 175.73 1cee h GLU 171 N 0.71 0.91 0.18 3.56 4.81 0.10 -2.18 114.58 122.67 1cee h GLU 171 Ca 0.30 -0.54 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1cee h GLU 171 Cb 0.16 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1cee h GLU 171 CO -0.17 1.19 -0.13 0.00 -0.73 0.00 0.00 179.01 179.17 1cee h ALA 172 N 0.71 -0.94 -0.37 2.92 0.00 -0.59 0.11 119.26 121.09 1cee h ALA 172 Ca 0.03 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1cee h ALA 172 Cb 1.10 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 1cee h ALA 172 CO 0.11 -0.94 -0.36 0.82 0.00 0.00 0.00 179.25 178.88 1cee h ILE 173 N -0.29 0.19 -0.95 0.00 5.03 -1.32 1.47 117.51 121.64 1cee h ILE 173 Ca -0.02 0.00 0.28 0.00 -0.12 0.00 0.00 64.86 64.99 1cee h ILE 173 Cb 0.24 0.19 -0.04 0.00 -3.03 0.00 0.00 36.82 34.18 1cee h ILE 173 CO 0.01 0.00 0.75 0.25 -0.68 0.00 0.00 178.15 178.48 1cee h LEU 174 N -0.30 0.00 0.10 1.44 5.85 -1.33 0.07 115.31 121.14 1cee h LEU 174 Ca 0.15 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.52 1cee h LEU 174 Cb 0.56 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1cee h LEU 174 CO -0.53 0.00 -1.92 0.00 -0.34 0.00 0.00 178.44 175.65 1cee n ALA 175 N -2.63 0.88 -0.19 1.25 0.00 0.23 -4.32 120.51 115.74 1cee n ALA 175 Ca 0.20 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 1cee n ALA 175 Cb 1.08 -0.64 0.05 0.00 0.00 0.00 0.00 19.45 19.93 1cee n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cee h ALA 176 N -0.02 0.37 -3.00 0.00 0.00 0.36 -3.43 119.26 113.55 1cee h ALA 176 Ca -0.42 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1cee h ALA 176 Cb 1.93 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.15 1cee h ALA 176 CO 0.04 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.14 1cee n LEU 177 N -5.39 0.00 -3.57 0.00 4.77 -0.84 -4.55 117.00 107.41 1cee n LEU 177 Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1cee n LEU 177 Cb 0.30 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1cee n LEU 177 CO 0.08 -0.44 0.60 -1.83 -1.33 0.00 0.00 177.39 174.46 1cee s GLU 178 N -2.10 1.12 0.00 3.23 -1.05 -1.26 -5.00 118.70 113.64 1cee s GLU 178 Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 1cee s GLU 178 Cb 0.00 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1cee s GLU 178 CO 0.00 -0.50 0.04 -2.30 0.95 0.00 0.00 175.26 173.45