#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 4.27 -0.03 0.03 -1.52 -1.26 -5.00 119.66 116.14 1cee s GLN 2 Ca 0.00 0.82 -0.04 0.00 -1.95 0.00 0.00 55.36 54.19 1cee s GLN 2 Cb 0.00 -3.23 0.01 0.00 -0.22 0.00 0.00 33.01 29.57 1cee s GLN 2 CO 0.00 0.62 0.10 0.99 -0.25 0.00 0.00 175.29 176.75 1cee s THR 3 N -1.14 0.01 -0.25 -0.19 2.01 -1.26 -0.86 115.64 113.97 1cee s THR 3 Ca 0.31 -0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 1cee s THR 3 Cb -0.20 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1cee s THR 3 CO 0.20 -0.06 0.42 -0.63 -0.69 0.00 0.00 174.62 173.86 1cee s ILE 4 N -0.17 5.15 -0.97 1.82 1.09 -1.20 -4.82 121.20 122.11 1cee s ILE 4 Ca -0.02 0.69 -0.21 0.00 -1.10 0.00 0.00 60.65 60.00 1cee s ILE 4 Cb -0.02 -3.74 -0.11 0.00 -1.06 0.00 0.00 42.46 37.53 1cee s ILE 4 CO 0.00 0.17 1.94 1.17 -0.10 0.00 0.00 174.94 178.12 1cee n LYS 5 N 5.14 1.75 -2.91 2.79 3.00 -1.26 0.01 118.16 126.68 1cee n LYS 5 Ca -0.07 -2.15 -0.42 0.00 -0.00 0.00 0.00 58.31 55.66 1cee n LYS 5 Cb 0.51 -3.19 -0.05 0.00 0.00 0.00 0.00 35.03 32.30 1cee n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cee s VAL 7 N 3.10 1.37 0.25 0.00 1.01 -1.25 -0.29 120.40 124.59 1cee s VAL 7 Ca 0.34 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 1cee s VAL 7 Cb -0.13 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 1cee s VAL 7 CO 0.15 0.41 0.65 -0.69 0.00 0.00 0.00 175.10 175.62 1cee s VAL 8 N 0.85 4.76 -0.03 2.92 1.01 -0.98 -1.84 120.40 127.10 1cee s VAL 8 Ca -0.10 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1cee s VAL 8 Cb -0.15 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1cee s VAL 8 CO 0.01 -0.02 0.01 0.68 0.00 0.00 0.00 175.10 175.78 1cee s VAL 9 N -1.78 0.15 0.00 2.92 -7.23 0.22 -4.50 120.40 110.19 1cee s VAL 9 Ca 0.48 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 1cee s VAL 9 Cb -0.12 -0.26 0.00 0.00 0.56 0.00 0.00 36.38 36.55 1cee s VAL 9 CO 0.19 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1cee n GLY 10 N 4.25 3.06 3.56 2.32 0.00 -1.26 -3.10 105.19 114.01 1cee n GLY 10 Ca -0.24 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1cee n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cee n ASP 11 N 0.00 0.65 -3.35 1.61 -0.08 -1.26 -4.61 116.55 109.51 1cee n ASP 11 Ca 0.00 1.06 -0.33 0.00 -1.51 0.00 0.00 54.79 54.01 1cee n ASP 11 Cb 0.00 -1.25 -0.02 0.00 2.34 0.00 0.00 41.12 42.18 1cee n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cee n GLY 12 N 1.38 3.56 1.19 0.27 0.00 -1.19 -3.39 105.19 107.01 1cee n GLY 12 Ca 0.10 -1.21 -0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 4.73 -1.20 -0.14 4.61 0.00 -1.26 -4.93 120.51 122.32 1cee n ALA 13 Ca 0.57 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.65 1cee n ALA 13 Cb 0.23 -0.42 -0.11 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.11 1.51 0.00 0.00 0.24 -1.22 -5.04 118.33 113.71 1cee n VAL 14 Ca -0.03 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1cee n VAL 14 Cb 0.44 -1.70 0.00 0.00 -1.47 0.00 0.00 33.84 31.11 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 1.64 1.98 0.33 7.63 0.00 -1.26 -4.69 105.19 110.82 1cee n GLY 15 Ca -0.51 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.74 -1.10 1.61 2.10 -1.96 -2.55 116.57 113.93 1cee h LYS 16 Ca 0.00 0.05 0.30 0.00 -2.00 0.00 0.00 60.65 59.00 1cee h LYS 16 Cb 0.00 0.17 -0.10 0.00 -0.90 0.00 0.00 32.23 31.40 1cee h LYS 16 CO 0.00 -0.50 0.71 1.15 -2.00 0.00 0.00 179.45 178.82 1cee h THR 17 N -0.77 0.44 0.00 0.07 2.02 -1.99 1.40 112.91 114.09 1cee h THR 17 Ca -0.07 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1cee h THR 17 Cb 0.60 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1cee h THR 17 CO 0.11 0.06 -0.25 0.00 0.37 0.00 0.00 175.52 175.80 1cee n LEU 19 N -3.68 2.21 -0.28 0.00 0.00 0.45 -3.14 117.00 112.55 1cee n LEU 19 Ca -0.01 0.32 0.10 0.00 0.00 0.00 0.00 56.01 56.41 1cee n LEU 19 Cb 0.37 -1.02 0.25 0.00 0.00 0.00 0.00 43.42 43.01 1cee n LEU 19 CO 0.34 0.54 1.01 -0.07 0.00 0.00 0.00 177.39 179.22 1cee h LEU 20 N -0.54 0.25 0.05 -1.96 4.07 -0.66 1.26 115.31 117.78 1cee h LEU 20 Ca -0.40 0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.70 1cee h LEU 20 Cb 1.63 0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.51 1cee h LEU 20 CO -0.09 0.02 -0.02 0.40 -1.08 0.00 0.00 178.44 177.66 1cee h ILE 21 N 0.39 0.00 -0.42 1.22 1.08 -1.65 -3.11 117.51 115.02 1cee h ILE 21 Ca 0.49 -0.03 0.12 0.00 -0.39 0.00 0.00 64.86 65.06 1cee h ILE 21 Cb 0.87 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1cee h ILE 21 CO -0.50 0.00 0.53 0.77 -0.69 0.00 0.00 178.15 178.26 1cee h SER 22 N -0.09 0.00 -0.66 1.72 4.64 -1.35 1.11 113.55 118.92 1cee h SER 22 Ca -0.01 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1cee h SER 22 Cb 0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1cee h SER 22 CO 0.01 0.00 0.43 0.22 -0.87 0.00 0.00 176.83 176.62 1cee h TYR 23 N 0.00 0.81 0.00 4.77 3.20 0.17 0.52 116.97 126.44 1cee h TYR 23 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1cee h TYR 23 Cb 1.25 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1cee h TYR 23 CO 0.00 0.50 -1.30 -2.37 -1.64 0.00 0.00 178.16 173.35 1cee n THR 24 N -4.64 0.00 0.00 1.81 5.66 0.39 -4.54 114.28 112.96 1cee n THR 24 Ca 0.06 -0.26 0.06 0.00 -3.05 0.00 0.00 64.05 60.86 1cee n THR 24 Cb 0.03 0.41 -0.13 0.00 -1.55 0.00 0.00 70.33 69.10 1cee n THR 24 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1cee n THR 25 N -1.76 0.50 -1.13 1.09 -2.24 0.36 -4.97 114.28 106.13 1cee n THR 25 Ca -0.01 -0.59 -0.04 0.00 -2.27 0.00 0.00 64.05 61.13 1cee n THR 25 Cb 0.27 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.50 -4.32 -4.25 3.42 2.85 0.18 -4.93 115.26 105.71 1cee n ASN 26 Ca -0.09 0.11 -0.22 0.00 -0.11 0.00 0.00 54.58 54.27 1cee n ASN 26 Cb 0.70 -2.20 -0.12 0.00 1.24 0.00 0.00 39.78 39.39 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 -1.77 1.03 -0.38 1.20 2.47 -1.25 -4.98 119.74 116.05 1cee s LYS 27 Ca 0.00 -1.11 -0.10 0.00 -1.56 0.00 0.00 55.97 53.21 1cee s LYS 27 Cb 0.00 -1.20 0.04 0.00 -1.46 0.00 0.00 37.83 35.21 1cee s LYS 27 CO 0.00 0.28 0.21 0.12 0.16 0.00 0.00 175.35 176.11 1cee s PHE 28 N -1.24 3.27 0.77 4.03 5.36 -1.26 -2.84 117.98 126.07 1cee s PHE 28 Ca 0.04 -1.17 -0.12 0.00 -0.96 0.00 0.00 56.93 54.71 1cee s PHE 28 Cb -0.10 -2.55 0.06 0.00 -0.34 0.00 0.00 43.02 40.10 1cee s PHE 28 CO 0.04 -0.71 1.13 -1.25 -1.46 0.00 0.00 175.22 172.97 1cee s PRO 29 N 1.50 2.04 -0.01 10.12 0.04 -1.26 -4.98 135.00 142.45 1cee s PRO 29 Ca 0.02 1.44 0.07 0.00 0.04 0.00 0.00 61.00 62.57 1cee s PRO 29 Cb -0.20 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1cee s PRO 29 CO 0.05 -1.84 0.17 0.43 0.04 0.00 0.00 177.00 175.84 1cee n SER 30 N -3.28 2.92 -4.41 6.66 7.64 -1.26 -5.05 113.62 116.85 1cee n SER 30 Ca 0.11 -0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1cee n SER 30 Cb 0.52 1.25 0.14 0.00 -1.01 0.00 0.00 64.21 65.11 1cee n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cee n GLU 31 N -1.63 -0.62 -3.55 1.43 4.71 -1.26 -5.02 120.64 114.70 1cee n GLU 31 Ca -0.01 -0.14 -0.23 0.00 -0.01 0.00 0.00 57.16 56.77 1cee n GLU 31 Cb 0.16 -1.88 -0.15 0.00 -1.01 0.00 0.00 31.44 28.56 1cee n GLU 31 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1cee s TYR 32 N -2.39 0.00 -0.29 -0.32 6.14 -1.26 -5.13 117.35 114.11 1cee s TYR 32 Ca 0.58 -0.14 -0.24 0.00 0.64 0.00 0.00 57.07 57.91 1cee s TYR 32 Cb -0.20 -0.57 0.14 0.00 0.42 0.00 0.00 41.96 41.75 1cee s TYR 32 CO 0.66 -0.58 1.09 0.54 0.64 0.00 0.00 175.55 177.91 1cee s VAL 33 N 2.22 0.00 0.55 3.14 0.11 -1.26 -5.16 120.40 120.00 1cee s VAL 33 Ca 0.05 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.91 1cee s VAL 33 Cb -0.16 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.60 1cee s VAL 33 CO -0.12 0.00 0.47 -2.65 -3.33 0.00 0.00 175.10 169.47 1cee n PRO 34 N 2.31 0.48 -3.82 1.54 -0.02 -1.26 -4.97 135.00 129.26 1cee n PRO 34 Ca -0.13 0.19 -0.28 0.00 -2.02 0.00 0.00 63.50 61.25 1cee n PRO 34 Cb 0.56 -1.63 -0.12 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.73 2.41 0.00 3.45 2.01 -1.26 -5.01 115.64 115.51 1cee s THR 35 Ca 0.67 -3.84 0.00 0.00 0.31 0.00 0.00 61.69 58.84 1cee s THR 35 Cb -0.46 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1cee s THR 35 CO 0.55 -1.01 0.60 0.52 -0.69 0.00 0.00 174.62 174.59 1cee n VAL 36 N 2.32 0.00 -3.51 3.82 0.31 -1.26 -4.34 118.33 115.67 1cee n VAL 36 Ca 0.19 1.10 -0.29 0.00 -0.01 0.00 0.00 64.34 65.33 1cee n VAL 36 Cb 0.36 -1.85 -0.12 0.00 -0.91 0.00 0.00 33.84 31.32 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 -1.39 0.85 -0.41 3.52 5.36 -1.26 -2.82 117.98 121.83 1cee s PHE 37 Ca 0.00 -1.64 -0.09 0.00 -0.96 0.00 0.00 56.93 54.24 1cee s PHE 37 Cb 0.00 -1.04 0.07 0.00 -0.34 0.00 0.00 43.02 41.71 1cee s PHE 37 CO 0.00 -0.83 0.25 0.34 -1.46 0.00 0.00 175.22 173.52 1cee s ASP 38 N 1.10 5.62 -0.26 6.13 -1.08 -1.23 -4.94 116.67 122.01 1cee s ASP 38 Ca 0.17 -1.46 -0.09 0.00 -0.52 0.00 0.00 52.55 50.64 1cee s ASP 38 Cb -0.22 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.21 1cee s ASP 38 CO -0.03 -0.52 0.14 0.21 0.52 0.00 0.00 175.17 175.49 1cee s ASN 39 N 2.04 5.72 0.29 -0.34 2.47 -1.26 -3.09 114.94 120.77 1cee s ASN 39 Ca 0.03 -0.05 0.11 0.00 0.42 0.00 0.00 52.86 53.37 1cee s ASN 39 Cb -0.23 -2.04 -0.05 0.00 -1.45 0.00 0.00 41.25 37.48 1cee s ASN 39 CO 0.02 -0.01 -0.11 -0.31 -3.72 0.00 0.00 177.10 172.97 1cee s TYR 40 N 1.49 2.44 -0.11 0.43 2.02 -0.93 -5.00 117.35 117.69 1cee s TYR 40 Ca 0.06 -0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1cee s TYR 40 Cb -0.15 -1.14 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1cee s TYR 40 CO 0.07 0.65 -0.07 0.00 -1.57 0.00 0.00 175.55 174.63 1cee s ALA 41 N -2.47 1.31 0.00 3.71 0.00 -1.26 -0.88 121.76 122.17 1cee s ALA 41 Ca 0.31 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 1cee s ALA 41 Cb -0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1cee s ALA 41 CO 0.17 -0.43 0.13 0.08 0.00 0.00 0.00 175.76 175.71 1cee s VAL 42 N 1.72 5.03 -0.23 0.00 1.01 -0.49 -4.91 120.40 122.52 1cee s VAL 42 Ca 0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1cee s VAL 42 Cb -0.13 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1cee s VAL 42 CO -0.08 0.31 0.05 -0.89 0.00 0.00 0.00 175.10 174.49 1cee s THR 43 N -1.28 4.30 0.07 3.92 2.01 -1.26 0.13 115.64 123.53 1cee s THR 43 Ca 0.26 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1cee s THR 43 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1cee s THR 43 CO 0.17 0.38 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 1cee s VAL 44 N 1.30 0.50 -0.91 3.82 1.01 -1.01 -4.96 120.40 120.15 1cee s VAL 44 Ca 0.05 -1.62 -0.15 0.00 0.00 0.00 0.00 61.98 60.25 1cee s VAL 44 Cb -0.15 -1.28 0.19 0.00 0.00 0.00 0.00 36.38 35.15 1cee s VAL 44 CO 0.03 -0.76 0.97 -0.04 0.00 0.00 0.00 175.10 175.30 1cee s MET 45 N -3.14 3.69 -0.25 2.72 -1.94 -1.26 0.16 119.30 119.27 1cee s MET 45 Ca 0.03 -2.29 -0.12 0.00 -1.71 0.00 0.00 55.69 51.59 1cee s MET 45 Cb 0.01 -4.65 -0.05 0.00 2.01 0.00 0.00 34.83 32.15 1cee s MET 45 CO -0.04 -1.49 0.26 0.42 -0.01 0.00 0.00 175.02 174.15 1cee s ILE 46 N 1.01 5.28 -1.07 2.53 1.01 0.50 -4.36 121.20 126.08 1cee s ILE 46 Ca 0.26 0.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.21 1cee s ILE 46 Cb -0.08 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1cee s ILE 46 CO -0.09 0.25 0.92 0.61 0.00 0.00 0.00 174.94 176.64 1cee n GLY 47 N 4.58 -0.26 2.47 6.18 0.00 -1.26 -2.25 105.19 114.66 1cee n GLY 47 Ca -0.12 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.51 0.51 2.97 -0.02 0.00 -1.26 -4.97 105.19 100.91 1cee n GLY 48 Ca -0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.49 0.12 -0.08 1.61 2.02 -0.95 -5.13 118.70 111.80 1cee s GLU 49 Ca 0.00 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.80 1cee s GLU 49 Cb 0.00 0.06 -0.05 0.00 0.10 0.00 0.00 34.13 34.24 1cee s GLU 49 CO 0.00 -0.02 1.58 -1.25 0.02 0.00 0.00 175.26 175.59 1cee s PRO 50 N -0.00 4.19 0.55 0.39 0.04 -1.26 -0.37 135.00 138.53 1cee s PRO 50 Ca -0.01 2.09 0.03 0.00 0.04 0.00 0.00 61.00 63.15 1cee s PRO 50 Cb -0.01 -3.94 0.03 0.00 0.04 0.00 0.00 34.50 30.61 1cee s PRO 50 CO 0.00 -0.82 0.24 0.71 0.04 0.00 0.00 177.00 177.18 1cee s TYR 51 N 3.94 1.59 -0.39 0.56 1.51 0.42 -4.60 117.35 120.38 1cee s TYR 51 Ca 0.70 -0.94 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1cee s TYR 51 Cb -0.31 -1.76 0.16 0.00 -0.11 0.00 0.00 41.96 39.93 1cee s TYR 51 CO 0.27 -0.24 0.32 0.99 -1.11 0.00 0.00 175.55 175.77 1cee s THR 52 N -2.85 0.05 0.07 -0.71 2.01 -0.03 -2.40 115.64 111.77 1cee s THR 52 Ca 0.19 -1.87 -0.35 0.00 0.31 0.00 0.00 61.69 59.97 1cee s THR 52 Cb -0.01 -1.01 -0.15 0.00 0.01 0.00 0.00 72.50 71.34 1cee s THR 52 CO 0.12 -0.95 1.57 -0.11 -0.69 0.00 0.00 174.62 174.56 1cee n LEU 53 N 3.59 2.67 -4.36 4.42 7.94 0.35 -3.22 117.00 128.38 1cee n LEU 53 Ca 0.19 1.08 -0.45 0.00 -1.11 0.00 0.00 56.01 55.71 1cee n LEU 53 Cb 0.43 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 43.01 1cee n LEU 53 CO 0.10 -0.49 0.33 -0.83 -1.11 0.00 0.00 177.39 175.39 1cee s GLY 54 N 1.46 1.86 -0.11 -3.96 0.00 0.10 -1.40 107.32 105.27 1cee s GLY 54 Ca 0.84 -2.26 -0.23 0.00 0.00 0.00 0.00 44.72 43.07 1cee s GLY 54 CO 0.45 1.46 0.68 1.08 0.00 0.00 0.00 173.10 176.77 1cee s LEU 55 N 2.39 4.26 -0.10 0.66 1.43 -0.06 -0.04 118.68 127.22 1cee s LEU 55 Ca 0.09 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1cee s LEU 55 Cb -0.25 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 42.96 1cee s LEU 55 CO 0.06 -0.17 -0.10 -0.36 0.23 0.00 0.00 176.35 176.00 1cee s PHE 56 N 1.18 1.56 -0.16 0.29 0.40 0.60 -2.18 117.98 119.66 1cee s PHE 56 Ca 0.35 -0.72 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1cee s PHE 56 Cb -0.17 -1.21 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 1cee s PHE 56 CO 0.15 -0.43 -0.04 -0.51 0.70 0.00 0.00 175.22 175.09 1cee s ASP 57 N 1.24 4.71 0.14 1.36 1.01 -1.18 -2.31 116.67 121.65 1cee s ASP 57 Ca -0.03 -0.17 0.09 0.00 0.71 0.00 0.00 52.55 53.15 1cee s ASP 57 Cb -0.14 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 1cee s ASP 57 CO -0.03 0.15 -0.20 0.42 0.21 0.00 0.00 175.17 175.71 1cee s THR 58 N 0.49 1.84 0.91 -1.27 -4.23 -1.26 -3.54 115.64 108.59 1cee s THR 58 Ca -0.04 -1.77 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 1cee s THR 58 Cb -0.14 -1.76 0.23 0.00 1.34 0.00 0.00 72.50 72.16 1cee s THR 58 CO 0.03 -0.18 0.75 0.00 -0.54 0.00 0.00 174.62 174.67 1cee n ALA 59 N 0.63 -2.71 -2.70 3.99 0.00 -1.13 -4.94 120.51 113.65 1cee n ALA 59 Ca -0.16 -1.15 -0.07 0.00 0.00 0.00 0.00 53.44 52.06 1cee n ALA 59 Cb 0.55 -0.08 0.12 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.99 1.23 0.00 0.00 0.00 -1.26 -4.81 105.19 97.37 1cee n GLY 60 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cee n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cee n GLN 61 N -0.51 0.00 -0.52 1.61 6.02 -1.26 -3.16 117.38 119.56 1cee n GLN 61 Ca -0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 1cee n GLN 61 Cb 0.83 -0.46 0.00 0.00 1.02 0.00 0.00 30.24 31.63 1cee n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1cee n GLU 62 N 0.00 0.00 -0.03 -1.09 1.02 -1.26 -4.79 120.64 114.48 1cee n GLU 62 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1cee n GLU 62 Cb 0.48 -3.85 -0.09 0.00 -0.02 0.00 0.00 31.44 27.96 1cee n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1cee h ASP 63 N 0.00 0.17 -0.83 1.62 3.58 -2.00 -3.14 116.42 115.82 1cee h ASP 63 Ca 0.00 -0.49 -0.35 0.00 0.42 0.00 0.00 57.03 56.61 1cee h ASP 63 Cb 0.00 -0.05 -0.21 0.00 1.72 0.00 0.00 39.33 40.79 1cee h ASP 63 CO 0.00 0.62 0.44 0.00 -2.88 0.00 0.00 179.24 177.43 1cee n TYR 64 N -4.72 2.66 0.32 0.28 4.11 -1.26 -4.51 117.16 114.04 1cee n TYR 64 Ca -0.07 -1.47 0.19 0.00 -0.00 0.00 0.00 57.90 56.55 1cee n TYR 64 Cb 0.30 -0.79 1.03 0.00 -0.00 0.00 0.00 39.34 39.87 1cee n TYR 64 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1cee h ASP 65 N 1.79 0.00 -1.02 9.48 3.32 -1.93 -2.27 116.42 125.79 1cee h ASP 65 Ca 0.43 0.00 0.25 0.00 0.02 0.00 0.00 57.03 57.73 1cee h ASP 65 Cb 2.54 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 41.97 1cee h ASP 65 CO 0.89 0.00 0.62 0.03 -1.72 0.00 0.00 179.24 179.06 1cee h ARG 66 N 0.00 0.52 0.00 3.56 2.47 -1.86 -2.30 114.38 116.77 1cee h ARG 66 Ca 0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1cee h ARG 66 Cb 0.30 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1cee h ARG 66 CO -0.00 0.35 -0.19 1.47 0.56 0.00 0.00 179.97 182.16 1cee n LEU 67 N -4.79 1.39 -0.06 3.04 -0.00 -0.88 -4.82 117.00 110.88 1cee n LEU 67 Ca 0.26 -2.17 -0.14 0.00 -0.00 0.00 0.00 56.01 53.96 1cee n LEU 67 Cb 0.78 -0.24 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 1cee n LEU 67 CO 0.20 0.51 0.53 -0.09 -0.00 0.00 0.00 177.39 178.54 1cee h ARG 68 N 0.00 0.49 0.00 1.47 2.43 -1.10 -3.14 114.38 114.53 1cee h ARG 68 Ca 0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1cee h ARG 68 Cb 1.13 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1cee h ARG 68 CO 0.00 0.89 0.00 -1.35 -1.51 0.00 0.00 179.97 178.00 1cee h PRO 69 N 0.13 0.00 0.00 0.20 0.11 -1.88 -2.89 132.00 127.67 1cee h PRO 69 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1cee h PRO 69 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1cee h PRO 69 CO 0.06 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.13 1cee n LEU 70 N -2.78 0.09 -1.07 2.35 4.77 -1.18 -2.37 117.00 116.80 1cee n LEU 70 Ca 0.00 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.56 1cee n LEU 70 Cb 0.23 -0.53 0.19 0.00 -2.33 0.00 0.00 43.42 40.98 1cee n LEU 70 CO 0.23 -0.42 0.58 -1.20 -1.33 0.00 0.00 177.39 175.25 1cee n SER 71 N -1.61 3.04 -2.56 -1.43 7.64 -1.09 -4.10 113.62 113.51 1cee n SER 71 Ca 0.02 -2.35 -0.09 0.00 1.01 0.00 0.00 58.87 57.46 1cee n SER 71 Cb 0.10 -0.51 0.04 0.00 -1.01 0.00 0.00 64.21 62.83 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 0.39 1.80 -0.39 1.43 4.02 -1.00 -4.92 117.16 118.49 1cee n TYR 72 Ca 0.14 -2.25 -0.09 0.00 -0.01 0.00 0.00 57.90 55.69 1cee n TYR 72 Cb 0.62 -0.27 -0.08 0.00 -0.02 0.00 0.00 39.34 39.59 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 -0.59 -0.39 -3.19 -0.72 -0.02 -1.26 -3.25 135.00 125.58 1cee n PRO 73 Ca 0.20 1.42 -0.21 0.00 -2.02 0.00 0.00 63.50 62.89 1cee n PRO 73 Cb 0.85 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 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 -5.19 0.96 -1.45 -0.52 7.27 -1.26 -5.11 117.38 112.07 1cee n GLN 74 Ca 0.03 -3.38 -0.55 0.00 0.07 0.00 0.00 57.00 53.16 1cee n GLN 74 Cb 0.26 -1.54 -0.07 0.00 2.41 0.00 0.00 30.24 31.30 1cee n GLN 74 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1cee n THR 75 N 0.72 0.51 -0.03 1.69 -1.04 -1.20 -4.77 114.28 110.16 1cee n THR 75 Ca 0.24 -0.13 0.01 0.00 -2.04 0.00 0.00 64.05 62.13 1cee n THR 75 Cb 0.60 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.99 1cee n THR 75 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1cee n ASP 76 N 1.60 1.53 -3.58 8.00 2.03 -0.87 -4.99 116.55 120.27 1cee n ASP 76 Ca 0.19 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.44 1cee n ASP 76 Cb 0.12 1.33 -0.00 0.00 -0.72 0.00 0.00 41.12 41.85 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1cee s VAL 77 N -2.75 0.00 -0.12 5.18 0.11 -1.21 -4.18 120.40 117.44 1cee s VAL 77 Ca -0.06 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1cee s VAL 77 Cb 0.07 -2.28 0.04 0.00 -1.53 0.00 0.00 36.38 32.68 1cee s VAL 77 CO 0.61 0.00 -0.01 -0.36 -3.33 0.00 0.00 175.10 172.00 1cee s PHE 78 N -3.21 1.04 -0.61 1.54 0.08 -1.13 -3.89 117.98 111.80 1cee s PHE 78 Ca 0.13 -0.55 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 1cee s PHE 78 Cb -0.04 -1.00 0.11 0.00 -0.57 0.00 0.00 43.02 41.52 1cee s PHE 78 CO 0.06 -0.46 0.73 -0.51 -0.10 0.00 0.00 175.22 174.94 1cee s LEU 79 N 1.85 5.38 -0.82 -0.37 1.02 -0.77 -0.51 118.68 124.47 1cee s LEU 79 Ca 0.03 -1.48 -0.14 0.00 0.02 0.00 0.00 54.13 52.56 1cee s LEU 79 Cb -0.14 -2.31 0.21 0.00 0.02 0.00 0.00 46.19 43.98 1cee s LEU 79 CO -0.07 -1.11 0.78 -0.69 0.02 0.00 0.00 176.35 175.28 1cee s VAL 80 N 2.67 5.54 -0.43 -1.59 1.01 -0.75 0.70 120.40 127.56 1cee s VAL 80 Ca 0.13 -2.37 -0.24 0.00 0.00 0.00 0.00 61.98 59.49 1cee s VAL 80 Cb -0.23 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.69 1cee s VAL 80 CO 0.05 -1.05 0.86 0.00 0.00 0.00 0.00 175.10 174.97 1cee s PHE 82 N 3.49 2.60 -0.04 0.00 -0.71 -0.87 -4.71 117.98 117.73 1cee s PHE 82 Ca 0.34 -0.65 -0.33 0.00 -1.04 0.00 0.00 56.93 55.26 1cee s PHE 82 Cb -0.11 -1.68 -0.11 0.00 -1.21 0.00 0.00 43.02 39.90 1cee s PHE 82 CO 0.23 -0.17 1.91 -1.13 -1.34 0.00 0.00 175.22 174.72 1cee n SER 83 N 3.06 3.69 0.22 1.98 3.41 -1.26 -2.72 113.62 122.01 1cee n SER 83 Ca -0.18 0.95 0.06 0.00 -0.26 0.00 0.00 58.87 59.44 1cee n SER 83 Cb 0.52 -1.42 0.49 0.00 -0.26 0.00 0.00 64.21 63.54 1cee n SER 83 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1cee h VAL 84 N 5.49 1.07 -0.47 -3.33 2.07 -1.18 -2.10 116.25 117.80 1cee h VAL 84 Ca -0.49 -0.83 -0.13 0.00 0.82 0.00 0.00 66.70 66.07 1cee h VAL 84 Cb 1.26 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 32.41 1cee h VAL 84 CO 0.95 0.23 0.16 1.33 0.02 0.00 0.00 177.57 180.26 1cee n VAL 85 N -4.12 2.00 -3.54 2.57 0.24 -1.26 0.07 118.33 114.30 1cee n VAL 85 Ca -0.02 -1.01 -0.25 0.00 -2.04 0.00 0.00 64.34 61.02 1cee n VAL 85 Cb 0.30 -0.48 -0.15 0.00 -1.47 0.00 0.00 33.84 32.04 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 -0.47 2.52 0.56 -1.34 0.15 -0.79 -4.19 113.70 110.14 1cee s SER 86 Ca 0.35 -0.81 0.33 0.00 0.70 0.00 0.00 55.95 56.53 1cee s SER 86 Cb 0.28 -0.07 1.61 0.00 -1.71 0.00 0.00 66.02 66.13 1cee s SER 86 CO 0.09 -0.38 2.09 1.55 1.20 0.00 0.00 173.24 177.79 1cee h PRO 87 N 8.38 0.00 0.75 5.44 0.13 -1.82 -3.15 132.00 141.73 1cee h PRO 87 Ca -0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1cee h PRO 87 Cb 1.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.23 1cee h PRO 87 CO 0.35 0.06 -0.36 0.77 -0.23 0.00 0.00 178.00 178.59 1cee h SER 88 N 0.00 -0.85 -0.64 1.44 0.02 -1.95 0.37 113.55 111.94 1cee h SER 88 Ca -0.00 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1cee h SER 88 Cb 0.36 0.22 -0.08 0.00 0.14 0.00 0.00 62.40 63.04 1cee h SER 88 CO 0.01 -0.49 0.24 0.77 -1.14 0.00 0.00 176.83 176.21 1cee h SER 89 N -1.23 0.23 -0.24 3.07 4.64 -1.87 0.38 113.55 118.53 1cee h SER 89 Ca -0.10 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1cee h SER 89 Cb 0.78 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1cee h SER 89 CO 0.17 0.13 0.06 0.15 -0.87 0.00 0.00 176.83 176.46 1cee h PHE 90 N 0.41 0.40 -0.05 4.77 3.57 -1.53 0.77 116.94 125.27 1cee h PHE 90 Ca 0.33 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.79 1cee h PHE 90 Cb 0.42 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1cee h PHE 90 CO -0.17 0.48 0.09 0.93 -2.23 0.00 0.00 178.31 177.40 1cee h GLU 91 N 0.20 0.00 0.04 1.11 5.08 0.60 0.06 114.58 121.67 1cee h GLU 91 Ca 0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.11 1cee h GLU 91 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1cee h GLU 91 CO 0.00 0.00 -1.88 0.09 -1.00 0.00 0.00 179.01 176.23 1cee n ASN 92 N -3.52 1.19 -0.25 1.42 3.02 0.04 -2.96 115.26 114.20 1cee n ASN 92 Ca -0.02 0.30 -0.01 0.00 -0.03 0.00 0.00 54.58 54.83 1cee n ASN 92 Cb 0.18 -0.21 0.11 0.00 -0.61 0.00 0.00 39.78 39.24 1cee n ASN 92 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1cee h VAL 93 N 0.02 1.01 0.00 2.41 2.07 0.24 1.65 116.25 123.65 1cee h VAL 93 Ca -0.36 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1cee h VAL 93 Cb 2.04 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1cee h VAL 93 CO 0.07 0.14 -0.07 0.07 0.02 0.00 0.00 177.57 177.80 1cee h LYS 94 N 0.79 0.00 -1.34 1.57 5.09 -1.39 -3.14 116.57 118.14 1cee h LYS 94 Ca 0.32 0.00 -0.41 0.00 0.09 0.00 0.00 60.65 60.64 1cee h LYS 94 Cb 0.16 0.00 -0.32 0.00 0.10 0.00 0.00 32.23 32.17 1cee h LYS 94 CO -0.17 0.03 -0.94 0.39 -2.09 0.00 0.00 179.45 176.68 1cee n GLU 95 N -3.09 0.92 0.00 0.07 1.02 -0.39 -4.78 120.64 114.39 1cee n GLU 95 Ca 0.04 -2.86 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 1cee n GLU 95 Cb 0.55 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.63 0.00 0.12 3.49 3.00 0.55 -4.61 118.16 121.34 1cee n LYS 96 Ca 0.18 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.29 1cee n LYS 96 Cb 0.64 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.52 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 0.72 0.31 5.64 4.06 -1.32 -3.13 115.95 122.23 1cee h TRP 97 Ca 0.00 -0.53 -0.02 0.00 2.06 0.00 0.00 58.89 60.41 1cee h TRP 97 Cb 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1cee h TRP 97 CO 0.00 1.43 -0.15 0.28 -3.56 0.00 0.00 178.44 176.44 1cee h VAL 98 N 0.11 0.08 -0.57 1.49 2.07 -1.76 -3.28 116.25 114.39 1cee h VAL 98 Ca -0.20 -0.73 0.17 0.00 0.82 0.00 0.00 66.70 66.75 1cee h VAL 98 Cb 2.07 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1cee h VAL 98 CO 0.23 0.02 0.42 1.55 0.02 0.00 0.00 177.57 179.81 1cee h PRO 99 N -1.10 0.00 -0.00 1.57 0.13 -1.86 0.17 132.00 130.91 1cee h PRO 99 Ca -0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.03 1cee h PRO 99 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1cee h PRO 99 CO 0.07 0.00 -0.28 1.05 -0.23 0.00 0.00 178.00 178.61 1cee h GLU 100 N 0.00 0.01 0.04 0.86 -0.00 -1.63 -2.80 114.58 111.05 1cee h GLU 100 Ca 0.27 -0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 59.26 1cee h GLU 100 Cb 1.10 -0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.80 1cee h GLU 100 CO -0.00 0.29 -2.23 0.44 -0.00 0.00 0.00 179.01 177.51 1cee n ILE 101 N -4.20 1.57 0.03 -1.06 -5.35 0.09 -4.14 119.36 106.29 1cee n ILE 101 Ca -0.02 -0.68 0.22 0.00 -0.27 0.00 0.00 62.75 62.00 1cee n ILE 101 Cb 0.33 -1.28 0.73 0.00 -1.74 0.00 0.00 39.64 37.68 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 0.02 0.42 -0.01 7.28 1.35 -0.73 1.43 112.91 122.67 1cee h THR 102 Ca -0.49 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.20 1cee h THR 102 Cb 2.02 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.04 1cee h THR 102 CO 0.00 0.00 -0.76 0.45 -0.25 0.00 0.00 175.52 174.97 1cee h HIS 103 N 0.00 0.15 0.05 4.73 3.86 -1.65 -2.69 115.15 119.60 1cee h HIS 103 Ca 0.25 -0.08 -0.33 0.00 -1.16 0.00 0.00 60.37 59.05 1cee h HIS 103 Cb 1.25 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.66 1cee h HIS 103 CO 0.00 0.82 -1.87 1.58 0.86 0.00 0.00 177.93 179.32 1cee n HIS 104 N -3.70 0.83 -3.16 2.45 -0.00 0.24 -4.84 115.22 107.04 1cee n HIS 104 Ca -0.02 0.26 -0.15 0.00 -0.00 0.00 0.00 57.72 57.81 1cee n HIS 104 Cb 0.73 -1.10 -0.05 0.00 -0.00 0.00 0.00 29.99 29.57 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 3.35 1.06 -0.09 0.00 -0.04 -1.01 -3.44 135.00 134.84 1cee n PRO 106 Ca 0.20 -0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1cee n PRO 106 Cb 0.50 -1.13 -0.11 0.00 -0.04 0.00 0.00 33.50 32.72 1cee n PRO 106 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1cee n LYS 107 N -0.53 0.98 -1.26 0.54 0.00 -1.26 -4.99 118.16 111.64 1cee n LYS 107 Ca 0.06 0.05 -0.35 0.00 -0.00 0.00 0.00 58.31 58.07 1cee n LYS 107 Cb 0.05 -1.41 0.09 0.00 -0.00 0.00 0.00 35.03 33.75 1cee n LYS 107 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1cee n THR 108 N -2.83 2.22 -2.17 0.58 -2.24 -1.22 -4.95 114.28 103.68 1cee n THR 108 Ca -0.31 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 60.77 1cee n THR 108 Cb 0.96 -0.98 0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 -3.30 3.26 -0.33 -0.78 0.04 -1.26 -4.98 135.00 127.65 1cee s PRO 109 Ca 0.70 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 1cee s PRO 109 Cb -0.33 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.30 1cee s PRO 109 CO 0.54 -0.94 0.13 -0.06 0.04 0.00 0.00 177.00 176.70 1cee s PHE 110 N -1.68 1.46 -0.16 0.56 0.08 -1.26 -2.83 117.98 114.15 1cee s PHE 110 Ca 0.74 -1.70 -0.29 0.00 0.12 0.00 0.00 56.93 55.79 1cee s PHE 110 Cb -0.27 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1cee s PHE 110 CO 0.30 -0.85 1.25 -1.17 -0.10 0.00 0.00 175.22 174.64 1cee s LEU 111 N 1.47 4.19 -0.66 -0.37 1.98 0.33 -1.63 118.68 123.98 1cee s LEU 111 Ca 0.11 1.69 -0.19 0.00 -2.89 0.00 0.00 54.13 52.85 1cee s LEU 111 Cb -0.19 -3.54 0.11 0.00 0.66 0.00 0.00 46.19 43.23 1cee s LEU 111 CO -0.21 -0.74 0.81 -0.22 -1.89 0.00 0.00 176.35 174.10 1cee s LEU 112 N 3.36 5.23 0.13 -0.68 2.96 -1.17 -1.81 118.68 126.69 1cee s LEU 112 Ca 0.54 -1.49 -0.14 0.00 -0.22 0.00 0.00 54.13 52.82 1cee s LEU 112 Cb -0.22 -2.33 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 1cee s LEU 112 CO 0.15 -1.14 0.52 -0.69 -1.32 0.00 0.00 176.35 173.86 1cee s VAL 113 N 2.81 4.90 -0.24 1.68 1.01 -0.54 0.64 120.40 130.66 1cee s VAL 113 Ca 0.16 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1cee s VAL 113 Cb -0.20 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.53 1cee s VAL 113 CO 0.04 0.27 -0.03 -0.83 0.00 0.00 0.00 175.10 174.56 1cee s GLY 114 N -1.69 1.28 0.49 4.51 0.00 0.39 -2.05 107.32 110.24 1cee s GLY 114 Ca 0.36 -1.41 0.07 0.00 0.00 0.00 0.00 44.72 43.74 1cee s GLY 114 CO 0.19 1.01 0.42 -1.59 0.00 0.00 0.00 173.10 173.13 1cee s THR 115 N 1.41 2.16 0.00 0.90 2.01 -1.10 0.78 115.64 121.80 1cee s THR 115 Ca -0.03 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.58 1cee s THR 115 Cb -0.19 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1cee s THR 115 CO -0.08 0.00 0.00 1.67 -0.69 0.00 0.00 174.62 175.52 1cee n GLN 116 N -1.70 0.00 0.12 4.92 -0.06 -1.26 -0.80 117.38 118.60 1cee n GLN 116 Ca 0.03 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.83 1cee n GLN 116 Cb 0.63 -2.48 -0.15 0.00 -4.06 0.00 0.00 30.24 24.18 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1cee h ILE 117 N 0.00 1.42 -0.98 1.69 2.04 -1.87 -3.11 117.51 116.71 1cee h ILE 117 Ca 0.00 -2.94 0.29 0.00 1.00 0.00 0.00 64.86 63.22 1cee h ILE 117 Cb 0.99 2.98 -0.14 0.00 -0.74 0.00 0.00 36.82 39.91 1cee h ILE 117 CO 0.00 0.86 0.51 -2.24 0.00 0.00 0.00 178.15 177.28 1cee h ASP 118 N 0.10 0.44 0.21 1.72 3.04 -1.95 0.35 116.42 120.34 1cee h ASP 118 Ca -0.18 0.18 -0.33 0.00 -3.24 0.00 0.00 57.03 53.47 1cee h ASP 118 Cb 2.04 0.15 0.04 0.00 -1.04 0.00 0.00 39.33 40.52 1cee h ASP 118 CO 0.23 -0.10 -1.41 -0.07 -2.04 0.00 0.00 179.24 175.85 1cee h LEU 119 N 0.34 0.86 -2.02 0.15 3.38 -1.94 -3.15 115.31 112.94 1cee h LEU 119 Ca 0.68 -0.89 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1cee h LEU 119 Cb 1.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1cee h LEU 119 CO -0.59 1.68 0.38 -0.09 0.09 0.00 0.00 178.44 179.91 1cee h ARG 120 N 0.18 0.00 -0.40 1.13 2.43 -0.31 0.76 114.38 118.18 1cee h ARG 120 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1cee h ARG 120 Cb 2.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 1cee h ARG 120 CO 0.27 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.48 1cee n ASP 121 N -3.43 3.82 -4.10 -3.80 8.00 -0.25 -4.80 116.55 111.99 1cee n ASP 121 Ca 0.03 -2.50 -0.36 0.00 0.71 0.00 0.00 54.79 52.67 1cee n ASP 121 Cb 0.50 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 1cee n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1cee s ASP 122 N -1.31 5.78 0.30 -2.24 -1.08 0.26 -4.95 116.67 113.43 1cee s ASP 122 Ca 0.38 -3.51 0.02 0.00 -0.52 0.00 0.00 52.55 48.93 1cee s ASP 122 Cb 0.26 -1.89 0.76 0.00 -1.46 0.00 0.00 42.92 40.59 1cee s ASP 122 CO 0.16 -0.23 1.60 -0.65 0.52 0.00 0.00 175.17 176.56 1cee h PRO 123 N 6.25 0.07 -1.20 4.34 0.11 -1.87 0.26 132.00 139.96 1cee h PRO 123 Ca 0.12 -0.00 0.35 0.00 0.11 0.00 0.00 66.00 66.57 1cee h PRO 123 Cb 0.85 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.84 1cee h PRO 123 CO 0.81 0.04 0.79 1.03 -0.21 0.00 0.00 178.00 180.46 1cee h SER 124 N 0.07 0.29 0.05 -2.05 0.87 -1.93 1.24 113.55 112.09 1cee h SER 124 Ca 0.59 0.09 -0.35 0.00 -1.23 0.00 0.00 61.79 60.89 1cee h SER 124 Cb 1.23 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.21 1cee h SER 124 CO -0.82 -0.03 -1.95 0.35 -0.53 0.00 0.00 176.83 173.85 1cee n THR 125 N -4.57 1.63 -0.32 2.23 -2.24 0.80 -3.13 114.28 108.68 1cee n THR 125 Ca 0.30 -0.43 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1cee n THR 125 Cb 1.17 -1.79 0.09 0.00 -2.10 0.00 0.00 70.33 67.71 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 -0.39 1.19 0.00 2.28 2.04 -0.09 0.16 117.51 122.69 1cee h ILE 126 Ca -0.47 -0.39 -0.16 0.00 1.00 0.00 0.00 64.86 64.85 1cee h ILE 126 Cb 1.75 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1cee h ILE 126 CO -0.10 0.21 -0.75 -0.33 0.00 0.00 0.00 178.15 177.18 1cee h GLU 127 N 1.13 0.00 0.00 2.37 5.08 0.13 0.44 114.58 123.74 1cee h GLU 127 Ca 0.33 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.55 1cee h GLU 127 Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1cee h GLU 127 CO -0.09 0.75 -0.63 -0.22 -1.00 0.00 0.00 179.01 177.82 1cee h LYS 128 N 0.00 0.00 0.01 2.33 3.64 -1.38 -3.33 116.57 117.84 1cee h LYS 128 Ca -0.01 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.01 1cee h LYS 128 Cb 1.51 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.27 1cee h LYS 128 CO 0.10 0.63 -2.30 1.47 -2.27 0.00 0.00 179.45 177.08 1cee n LEU 129 N -3.29 0.92 -0.65 5.20 -0.00 0.52 -4.29 117.00 115.41 1cee n LEU 129 Ca 0.01 0.04 0.50 0.00 -0.00 0.00 0.00 56.01 56.56 1cee n LEU 129 Cb 0.77 0.06 0.77 0.00 -0.00 0.00 0.00 43.42 45.02 1cee n LEU 129 CO 0.42 0.60 1.45 0.00 -0.00 0.00 0.00 177.39 179.86 1cee n ALA 130 N -2.85 1.78 -1.44 1.47 0.00 0.16 0.16 120.51 119.78 1cee n ALA 130 Ca -0.34 0.61 0.07 0.00 0.00 0.00 0.00 53.44 53.79 1cee n ALA 130 Cb 1.10 -1.06 0.14 0.00 0.00 0.00 0.00 19.45 19.63 1cee n ALA 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cee n LYS 131 N -3.82 1.17 -0.00 0.00 5.02 -1.26 -4.71 118.16 114.56 1cee n LYS 131 Ca 0.42 -2.63 -0.00 0.00 -2.02 0.00 0.00 58.31 54.07 1cee n LYS 131 Cb 1.95 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 35.61 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 -1.06 4.64 0.00 4.39 3.02 0.41 -5.03 115.26 121.63 1cee n ASN 132 Ca 0.15 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1cee n ASN 132 Cb 0.70 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 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 -3.09 3.52 2.85 -0.91 -5.09 118.16 113.31 1cee n LYS 133 Ca -0.01 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.06 1cee n LYS 133 Cb 0.52 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.94 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 2.50 -0.28 -1.58 -0.21 -1.19 -4.91 119.66 114.00 1cee s GLN 134 Ca 0.00 -1.51 -0.27 0.00 0.02 0.00 0.00 55.36 53.60 1cee s GLN 134 Cb 0.00 -2.65 0.18 0.00 1.00 0.00 0.00 33.01 31.54 1cee s GLN 134 CO 0.00 -0.61 1.34 -1.59 -2.12 0.00 0.00 175.29 172.32 1cee s LYS 135 N -4.51 0.14 0.25 2.91 0.00 -1.26 -3.95 119.74 113.31 1cee s LYS 135 Ca 0.58 0.10 -0.30 0.00 0.00 0.00 0.00 55.97 56.35 1cee s LYS 135 Cb -0.07 0.07 -0.09 0.00 0.00 0.00 0.00 37.83 37.74 1cee s LYS 135 CO 0.36 -0.03 1.08 -1.25 0.00 0.00 0.00 175.35 175.51 1cee s PRO 136 N -0.40 4.65 0.12 1.78 0.04 -1.26 -3.83 135.00 136.11 1cee s PRO 136 Ca 0.07 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 1cee s PRO 136 Cb -0.03 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.22 1cee s PRO 136 CO -0.11 0.21 0.89 0.42 0.04 0.00 0.00 177.00 178.45 1cee s ILE 137 N -0.91 4.47 0.58 0.56 -1.09 0.11 -4.98 121.20 119.95 1cee s ILE 137 Ca 0.45 1.93 -0.16 0.00 -2.23 0.00 0.00 60.65 60.64 1cee s ILE 137 Cb -0.31 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.28 1cee s ILE 137 CO 0.38 0.38 1.06 0.42 -1.23 0.00 0.00 174.94 175.95 1cee s THR 138 N -0.32 3.78 -0.70 2.92 -4.23 -1.26 -4.93 115.64 110.89 1cee s THR 138 Ca 0.43 0.87 0.19 0.00 -1.18 0.00 0.00 61.69 61.99 1cee s THR 138 Cb -0.23 -3.38 0.18 0.00 1.34 0.00 0.00 72.50 70.41 1cee s THR 138 CO 0.28 -0.47 1.57 -0.81 -0.54 0.00 0.00 174.62 174.65 1cee n PRO 139 N -1.93 0.10 -0.10 3.99 -0.04 -1.26 -2.90 135.00 132.85 1cee n PRO 139 Ca 0.09 0.37 -0.24 0.00 -0.04 0.00 0.00 63.50 63.68 1cee n PRO 139 Cb 0.53 -1.71 -0.11 0.00 -0.04 0.00 0.00 33.50 32.17 1cee n PRO 139 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1cee n GLU 140 N -1.90 0.60 -0.19 0.54 2.13 -1.26 -3.52 120.64 117.05 1cee n GLU 140 Ca 0.02 0.43 -0.01 0.00 0.66 0.00 0.00 57.16 58.26 1cee n GLU 140 Cb 0.18 -1.66 0.07 0.00 0.27 0.00 0.00 31.44 30.31 1cee n GLU 140 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1cee h THR 141 N -0.81 0.50 0.35 6.31 2.02 -1.93 0.13 112.91 119.50 1cee h THR 141 Ca -0.47 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1cee h THR 141 Cb 1.52 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1cee h THR 141 CO -0.23 0.01 -0.17 0.00 0.37 0.00 0.00 175.52 175.51 1cee h ALA 142 N 1.53 -0.48 -0.41 6.16 0.00 -1.73 -3.05 119.26 121.28 1cee h ALA 142 Ca 0.29 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1cee h ALA 142 Cb 0.45 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1cee h ALA 142 CO -0.51 -0.67 -0.39 1.49 0.00 0.00 0.00 179.25 179.16 1cee h GLU 143 N -0.66 -0.28 -0.85 0.00 4.22 -1.44 -0.65 114.58 114.91 1cee h GLU 143 Ca -0.05 0.02 0.18 0.00 0.08 0.00 0.00 59.36 59.59 1cee h GLU 143 Cb 0.47 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 29.63 1cee h GLU 143 CO 0.08 -0.19 -0.17 -0.22 -2.18 0.00 0.00 179.01 176.33 1cee h LYS 144 N -0.29 0.01 -0.44 1.92 3.64 -0.75 0.33 116.57 121.00 1cee h LYS 144 Ca 0.16 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1cee h LYS 144 Cb 0.57 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1cee h LYS 144 CO -0.57 0.01 0.10 -0.07 -2.27 0.00 0.00 179.45 176.65 1cee h LEU 145 N 0.01 0.67 -1.83 5.20 4.07 -1.12 0.12 115.31 122.43 1cee h LEU 145 Ca 0.42 -0.24 0.28 0.00 0.08 0.00 0.00 57.88 58.42 1cee h LEU 145 Cb 0.68 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 1cee h LEU 145 CO -0.85 0.73 0.82 0.00 -1.08 0.00 0.00 178.44 178.05 1cee h ALA 146 N 0.96 2.83 0.02 1.53 0.00 0.11 1.35 119.26 126.05 1cee h ALA 146 Ca 0.14 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.65 1cee h ALA 146 Cb 0.33 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1cee h ALA 146 CO 0.00 -1.31 -2.25 0.54 0.00 0.00 0.00 179.25 176.23 1cee n ARG 147 N -3.87 0.68 0.01 0.00 1.74 -0.84 0.55 116.66 114.94 1cee n ARG 147 Ca 0.20 0.13 -0.08 0.00 -0.77 0.00 0.00 57.85 57.33 1cee n ARG 147 Cb 1.14 -1.59 0.07 0.00 -1.02 0.00 0.00 32.46 31.06 1cee n ARG 147 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1cee h ASP 148 N 0.01 0.57 -0.35 0.55 1.82 0.23 -2.95 116.42 116.30 1cee h ASP 148 Ca -0.50 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 55.85 1cee h ASP 148 Cb 2.07 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.92 1cee h ASP 148 CO 0.01 0.99 0.00 0.18 -1.61 0.00 0.00 179.24 178.81 1cee n LEU 149 N -3.96 3.81 -1.64 2.28 4.77 0.42 -4.86 117.00 117.82 1cee n LEU 149 Ca -0.03 -1.93 -0.20 0.00 -0.03 0.00 0.00 56.01 53.82 1cee n LEU 149 Cb 0.59 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1cee n LEU 149 CO 0.46 0.48 -0.20 0.29 -1.33 0.00 0.00 177.39 177.09 1cee n LYS 150 N 0.38 -1.42 -2.32 3.23 5.02 -1.11 -4.94 118.16 117.00 1cee n LYS 150 Ca 0.17 1.17 -0.39 0.00 -2.02 0.00 0.00 58.31 57.24 1cee n LYS 150 Cb 0.81 -5.55 -0.03 0.00 -0.02 0.00 0.00 35.03 30.24 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 -2.78 3.27 0.48 7.82 0.00 0.19 -4.54 121.76 126.20 1cee s ALA 151 Ca 0.00 0.98 0.17 0.00 0.00 0.00 0.00 51.96 53.12 1cee s ALA 151 Cb 0.00 -3.38 1.19 0.00 0.00 0.00 0.00 23.12 20.93 1cee s ALA 151 CO 0.00 -0.44 2.03 -0.39 0.00 0.00 0.00 175.76 176.96 1cee h VAL 152 N 2.61 0.89 0.00 0.00 -1.51 -1.47 -3.39 116.25 113.38 1cee h VAL 152 Ca -0.48 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1cee h VAL 152 Cb 1.23 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1cee h VAL 152 CO 0.64 0.04 0.00 1.17 -1.23 0.00 0.00 177.57 178.19 1cee n LYS 153 N -4.46 -0.38 -3.87 5.19 3.00 -1.26 -5.03 118.16 111.35 1cee n LYS 153 Ca 0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.17 1cee n LYS 153 Cb 0.35 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.21 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1cee s TYR 154 N -3.00 0.54 0.07 5.64 5.04 -1.26 -3.07 117.35 121.31 1cee s TYR 154 Ca 0.00 -0.09 0.03 0.00 -2.44 0.00 0.00 57.07 54.57 1cee s TYR 154 Cb 0.00 -0.65 -0.03 0.00 0.35 0.00 0.00 41.96 41.63 1cee s TYR 154 CO 0.00 -0.24 -0.10 0.14 -1.34 0.00 0.00 175.55 174.01 1cee s VAL 155 N 1.58 0.82 -0.07 3.14 -7.23 0.21 -4.99 120.40 113.85 1cee s VAL 155 Ca -0.01 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1cee s VAL 155 Cb -0.13 -1.06 0.04 0.00 0.56 0.00 0.00 36.38 35.79 1cee s VAL 155 CO -0.03 -0.45 0.16 -0.70 -0.31 0.00 0.00 175.10 173.77 1cee s GLU 156 N -2.22 0.12 0.23 4.82 2.12 -1.26 0.15 118.70 122.66 1cee s GLU 156 Ca -0.01 0.37 -0.22 0.00 0.36 0.00 0.00 54.97 55.47 1cee s GLU 156 Cb -0.06 -0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.23 1cee s GLU 156 CO 0.00 -0.15 0.77 0.00 -0.54 0.00 0.00 175.26 175.34 1cee s SER 158 N -2.89 1.00 0.00 0.00 0.15 -1.24 -3.91 113.70 106.81 1cee s SER 158 Ca 0.10 -1.22 0.19 0.00 0.70 0.00 0.00 55.95 55.72 1cee s SER 158 Cb -0.04 0.17 -0.07 0.00 -1.71 0.00 0.00 66.02 64.37 1cee s SER 158 CO 0.03 -0.63 0.92 0.00 1.20 0.00 0.00 173.24 174.76 1cee n ALA 159 N -0.25 3.69 -0.01 5.45 0.00 -1.26 -2.53 120.51 125.60 1cee n ALA 159 Ca -0.05 -0.57 -0.14 0.00 0.00 0.00 0.00 53.44 52.67 1cee n ALA 159 Cb 0.64 -0.68 -0.14 0.00 0.00 0.00 0.00 19.45 19.27 1cee n ALA 159 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cee n LEU 160 N -0.48 1.64 -0.02 0.00 7.94 -1.26 -4.46 117.00 120.35 1cee n LEU 160 Ca 0.07 0.31 0.02 0.00 -1.11 0.00 0.00 56.01 55.29 1cee n LEU 160 Cb 0.37 -0.39 -0.08 0.00 0.53 0.00 0.00 43.42 43.86 1cee n LEU 160 CO 0.28 0.60 -0.69 0.41 -1.11 0.00 0.00 177.39 176.89 1cee n THR 161 N -3.23 0.23 -2.19 1.96 -1.04 -1.26 -5.02 114.28 103.73 1cee n THR 161 Ca -0.24 -0.29 -0.06 0.00 -2.04 0.00 0.00 64.05 61.41 1cee n THR 161 Cb 1.05 -0.09 -0.00 0.00 -1.82 0.00 0.00 70.33 69.48 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 -2.03 -0.69 -1.99 -2.82 6.02 -1.05 -4.95 117.38 109.88 1cee n GLN 162 Ca -0.07 0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 56.83 1cee n GLN 162 Cb 0.45 -4.10 -0.03 0.00 1.02 0.00 0.00 30.24 27.59 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 -4.42 2.76 -1.96 -1.09 2.36 -1.25 -2.89 119.74 113.25 1cee s LYS 163 Ca 0.02 0.88 0.00 0.00 -2.55 0.00 0.00 55.97 54.32 1cee s LYS 163 Cb -0.01 -4.36 0.00 0.00 -1.05 0.00 0.00 37.83 32.42 1cee s LYS 163 CO 0.02 -2.56 0.00 0.41 1.55 0.00 0.00 175.35 174.77 1cee n GLY 164 N 5.65 1.48 0.00 5.54 0.00 -1.26 -3.63 105.19 112.97 1cee n GLY 164 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1cee n GLY 164 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cee n LEU 165 N -2.36 0.00 -0.30 0.99 7.94 -1.14 -1.75 117.00 120.37 1cee n LEU 165 Ca -0.20 0.66 0.10 0.00 -1.11 0.00 0.00 56.01 55.47 1cee n LEU 165 Cb 0.63 -0.16 0.33 0.00 0.53 0.00 0.00 43.42 44.75 1cee n LEU 165 CO 0.29 -0.16 1.22 0.50 -1.11 0.00 0.00 177.39 178.13 1cee h LYS 166 N 0.00 0.78 -0.39 1.96 3.64 -1.86 0.47 116.57 121.18 1cee h LYS 166 Ca 0.00 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1cee h LYS 166 Cb 0.00 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1cee h LYS 166 CO 0.00 0.52 0.44 -0.91 -2.27 0.00 0.00 179.45 177.23 1cee h ASN 167 N 0.80 0.00 0.23 4.20 -0.26 -1.86 -2.08 115.58 116.62 1cee h ASN 167 Ca 0.46 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.19 1cee h ASN 167 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1cee h ASN 167 CO -0.23 0.00 -0.11 0.58 -1.06 0.00 0.00 177.43 176.61 1cee h VAL 168 N 0.00 0.33 -0.80 2.81 2.07 -0.04 -3.10 116.25 117.52 1cee h VAL 168 Ca 0.18 -0.92 0.22 0.00 0.82 0.00 0.00 66.70 67.00 1cee h VAL 168 Cb 1.07 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1cee h VAL 168 CO -0.00 0.09 0.56 -0.26 0.02 0.00 0.00 177.57 177.98 1cee h PHE 169 N -1.02 0.11 0.00 1.57 -1.00 -1.45 0.77 116.94 115.92 1cee h PHE 169 Ca -0.03 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 1cee h PHE 169 Cb 0.39 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1cee h PHE 169 CO 0.04 0.03 -0.31 -0.44 -1.61 0.00 0.00 178.31 176.02 1cee h ASP 170 N 0.09 0.00 0.46 2.17 3.32 -1.44 -2.37 116.42 118.65 1cee h ASP 170 Ca 0.39 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.17 1cee h ASP 170 Cb 1.41 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.97 1cee h ASP 170 CO -0.04 0.31 -1.16 -0.08 -1.72 0.00 0.00 179.24 176.54 1cee h GLU 171 N 0.00 0.37 0.52 3.56 4.22 0.60 -2.98 114.58 120.87 1cee h GLU 171 Ca -0.00 -0.53 -0.03 0.00 0.08 0.00 0.00 59.36 58.88 1cee h GLU 171 Cb 0.57 0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1cee h GLU 171 CO 0.04 1.21 -0.25 0.00 -2.18 0.00 0.00 179.01 177.84 1cee h ALA 172 N 0.57 -1.03 -0.43 2.92 0.00 -1.01 -1.70 119.26 118.58 1cee h ALA 172 Ca -0.13 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1cee h ALA 172 Cb 1.85 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 19.82 1cee h ALA 172 CO 0.20 -0.97 -0.37 0.82 0.00 0.00 0.00 179.25 178.92 1cee h ILE 173 N -0.80 0.17 -0.92 0.00 2.04 -1.59 1.39 117.51 117.81 1cee h ILE 173 Ca -0.07 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.05 1cee h ILE 173 Cb 0.53 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1cee h ILE 173 CO 0.12 0.00 0.80 0.25 0.00 0.00 0.00 178.15 179.32 1cee h LEU 174 N -0.27 0.00 0.06 1.44 5.85 -1.55 0.47 115.31 121.31 1cee h LEU 174 Ca 0.17 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.62 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 -0.58 0.00 -1.45 0.00 -0.34 0.00 0.00 178.44 176.08 1cee h ALA 175 N 1.26 0.28 -0.22 1.25 0.00 0.24 -3.37 119.26 118.68 1cee h ALA 175 Ca 0.43 -1.20 0.03 0.00 0.00 0.00 0.00 54.91 54.18 1cee h ALA 175 Cb 2.03 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 20.39 1cee h ALA 175 CO -0.00 0.87 -0.48 0.00 0.00 0.00 0.00 179.25 179.63 1cee h ALA 176 N -0.20 -0.79 -3.00 0.00 0.00 0.31 -3.33 119.26 112.25 1cee h ALA 176 Ca -0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1cee h ALA 176 Cb 1.61 1.01 0.00 0.00 0.00 0.00 0.00 17.79 20.41 1cee h ALA 176 CO -0.05 -0.99 0.00 1.28 0.00 0.00 0.00 179.25 179.49 1cee n LEU 177 N -5.05 0.00 0.00 0.00 4.32 -0.94 -4.74 117.00 110.60 1cee n LEU 177 Ca -0.04 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1cee n LEU 177 Cb 0.32 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 1cee n LEU 177 CO 0.04 0.00 0.00 -1.84 -1.22 0.00 0.00 177.39 174.37 1cee n GLU 178 N -0.02 0.00 0.00 3.23 0.28 -1.25 -5.05 120.64 117.83 1cee n GLU 178 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1cee n GLU 178 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1cee n GLU 178 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67