#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 3.84 -0.04 0.03 -1.52 -1.26 -5.02 119.66 115.69 1cee s GLN 2 Ca 0.00 0.31 -0.03 0.00 -1.95 0.00 0.00 55.36 53.69 1cee s GLN 2 Cb 0.00 -2.79 0.02 0.00 -0.22 0.00 0.00 33.01 30.02 1cee s GLN 2 CO 0.00 0.41 0.10 0.99 -0.25 0.00 0.00 175.29 176.54 1cee s THR 3 N -1.65 -0.02 0.25 -0.19 2.01 -1.26 -1.89 115.64 112.90 1cee s THR 3 Ca 0.42 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 1cee s THR 3 Cb -0.13 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 1cee s THR 3 CO 0.20 0.03 0.48 -0.63 -0.69 0.00 0.00 174.62 174.01 1cee s ILE 4 N 0.41 5.11 -0.81 1.82 1.09 -0.53 -4.86 121.20 123.42 1cee s ILE 4 Ca -0.03 -0.12 0.02 0.00 -1.10 0.00 0.00 60.65 59.42 1cee s ILE 4 Cb -0.04 -3.73 0.27 0.00 -1.06 0.00 0.00 42.46 37.90 1cee s ILE 4 CO -0.02 -0.24 1.01 0.29 -0.10 0.00 0.00 174.94 175.89 1cee n LYS 5 N -0.77 3.24 -2.85 2.79 5.02 -1.26 0.17 118.16 124.49 1cee n LYS 5 Ca -0.03 -4.63 -0.43 0.00 -2.02 0.00 0.00 58.31 51.20 1cee n LYS 5 Cb 0.54 -2.36 -0.04 0.00 -0.02 0.00 0.00 35.03 33.15 1cee n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cee s VAL 7 N 3.77 3.28 -0.33 0.00 1.01 -1.25 -0.18 120.40 126.70 1cee s VAL 7 Ca 0.32 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 1cee s VAL 7 Cb -0.12 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1cee s VAL 7 CO 0.22 0.55 0.80 -0.69 0.00 0.00 0.00 175.10 175.98 1cee s VAL 8 N -0.07 4.75 0.03 2.92 1.01 0.12 -1.08 120.40 128.07 1cee s VAL 8 Ca -0.01 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.10 1cee s VAL 8 Cb -0.14 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1cee s VAL 8 CO 0.03 -0.35 -0.11 0.68 0.00 0.00 0.00 175.10 175.35 1cee s VAL 9 N 3.07 3.31 0.00 2.92 -7.23 0.46 -3.64 120.40 119.30 1cee s VAL 9 Ca 0.33 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1cee s VAL 9 Cb -0.13 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1cee s VAL 9 CO 0.15 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1cee n GLY 10 N 1.42 3.93 2.92 2.32 0.00 -1.26 -3.17 105.19 111.35 1cee n GLY 10 Ca -0.15 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1cee n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cee s ASP 11 N 0.00 4.52 0.00 1.61 1.11 -1.26 -4.05 116.67 118.60 1cee s ASP 11 Ca 0.00 -1.99 0.00 0.00 0.18 0.00 0.00 52.55 50.74 1cee s ASP 11 Cb 0.00 -1.37 0.00 0.00 1.07 0.00 0.00 42.92 42.62 1cee s ASP 11 CO 0.00 -0.39 0.00 0.61 1.18 0.00 0.00 175.17 176.57 1cee n GLY 12 N 4.45 -0.50 3.10 0.21 0.00 -1.25 -5.03 105.19 106.16 1cee n GLY 12 Ca 0.02 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 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 3.94 -0.31 4.61 0.00 -1.26 -4.86 121.76 122.89 1cee s ALA 13 Ca 0.00 -3.59 0.08 0.00 0.00 0.00 0.00 51.96 48.45 1cee s ALA 13 Cb 0.00 -2.75 0.47 0.00 0.00 0.00 0.00 23.12 20.83 1cee s ALA 13 CO 0.00 -2.14 1.37 1.33 0.00 0.00 0.00 175.76 176.32 1cee n VAL 14 N 2.84 2.58 -4.30 0.00 0.24 -1.26 -4.85 118.33 113.58 1cee n VAL 14 Ca 0.15 -3.41 -0.36 0.00 -2.04 0.00 0.00 64.34 58.68 1cee n VAL 14 Cb 0.38 -0.67 -0.05 0.00 -1.47 0.00 0.00 33.84 32.02 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 -0.96 -0.36 0.17 7.63 0.00 -1.26 -4.28 105.19 106.13 1cee n GLY 15 Ca 0.37 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.40 0.00 0.02 1.61 2.10 -1.92 -3.08 116.57 113.90 1cee h LYS 16 Ca -0.61 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 57.98 1cee h LYS 16 Cb 1.39 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.72 1cee h LYS 16 CO 0.79 0.40 -0.24 1.15 -2.00 0.00 0.00 179.45 179.55 1cee h THR 17 N 0.00 1.63 -0.16 0.07 2.02 -1.97 -3.14 112.91 111.36 1cee h THR 17 Ca -0.00 -2.16 -0.08 0.00 0.77 0.00 0.00 66.41 64.93 1cee h THR 17 Cb 1.14 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 70.60 1cee h THR 17 CO 0.05 0.58 -0.27 0.00 0.37 0.00 0.00 175.52 176.26 1cee h LEU 19 N 0.27 0.27 -0.48 0.00 7.12 -1.66 -2.31 115.31 118.52 1cee h LEU 19 Ca 0.04 -0.12 -0.07 0.00 0.13 0.00 0.00 57.88 57.86 1cee h LEU 19 Cb 0.62 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 1cee h LEU 19 CO 0.04 0.69 0.02 -0.07 -0.13 0.00 0.00 178.44 178.99 1cee h LEU 20 N 0.20 0.82 0.14 2.25 3.38 -1.43 -2.79 115.31 117.88 1cee h LEU 20 Ca 0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1cee h LEU 20 Cb 0.89 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1cee h LEU 20 CO 0.07 0.91 -0.07 0.40 0.09 0.00 0.00 178.44 179.85 1cee h ILE 21 N 0.70 0.00 -1.31 1.22 1.08 -1.28 -3.13 117.51 114.79 1cee h ILE 21 Ca 0.14 -0.08 0.38 0.00 -0.39 0.00 0.00 64.86 64.91 1cee h ILE 21 Cb 0.48 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 1cee h ILE 21 CO 0.02 0.00 1.04 0.28 -0.69 0.00 0.00 178.15 178.80 1cee h SER 22 N -0.27 0.00 -0.16 1.72 0.02 -1.41 0.54 113.55 113.99 1cee h SER 22 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1cee h SER 22 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1cee h SER 22 CO 0.03 0.00 0.04 0.22 -1.14 0.00 0.00 176.83 175.99 1cee h TYR 23 N 0.00 0.27 0.02 3.45 3.20 -1.48 0.83 116.97 123.25 1cee h TYR 23 Ca 0.62 -0.03 -0.30 0.00 3.14 0.00 0.00 58.73 62.16 1cee h TYR 23 Cb 2.69 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 40.84 1cee h TYR 23 CO 0.00 0.38 -1.72 1.79 -1.64 0.00 0.00 178.16 176.97 1cee h THR 24 N 0.07 0.84 -0.00 1.81 1.35 -0.19 -3.36 112.91 113.43 1cee h THR 24 Ca 0.05 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1cee h THR 24 Cb 0.25 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1cee h THR 24 CO -0.00 0.55 -0.72 0.35 -0.25 0.00 0.00 175.52 175.45 1cee n THR 25 N -3.11 0.00 -1.78 6.82 -2.24 0.14 -4.95 114.28 109.17 1cee n THR 25 Ca -0.18 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1cee n THR 25 Cb 1.05 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 70.14 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 -1.03 -3.77 -3.92 3.42 2.85 0.29 -4.91 115.26 108.19 1cee n ASN 26 Ca 0.06 0.27 -0.10 0.00 -0.11 0.00 0.00 54.58 54.71 1cee n ASN 26 Cb 0.37 -3.39 -0.10 0.00 1.24 0.00 0.00 39.78 37.91 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 -3.84 0.54 -0.18 1.20 2.36 -1.23 -5.02 119.74 113.57 1cee s LYS 27 Ca 0.00 -0.65 -0.19 0.00 -2.55 0.00 0.00 55.97 52.58 1cee s LYS 27 Cb 0.00 0.21 -0.03 0.00 -1.05 0.00 0.00 37.83 36.96 1cee s LYS 27 CO 0.00 -0.13 0.53 0.12 1.55 0.00 0.00 175.35 177.42 1cee s PHE 28 N -2.21 3.40 0.00 4.03 2.19 -1.26 -3.31 117.98 120.83 1cee s PHE 28 Ca -0.08 0.83 0.00 0.00 0.33 0.00 0.00 56.93 58.00 1cee s PHE 28 Cb -0.03 -2.67 0.00 0.00 -1.31 0.00 0.00 43.02 39.01 1cee s PHE 28 CO -0.03 -0.06 0.00 -0.35 1.83 0.00 0.00 175.22 176.62 1cee n PRO 29 N 4.58 -1.17 0.00 10.12 -0.04 -1.26 -5.04 135.00 142.19 1cee n PRO 29 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1cee n PRO 29 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1cee n PRO 29 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cee n SER 30 N -2.32 0.00 -4.72 3.54 2.88 -1.26 -5.12 113.62 106.61 1cee n SER 30 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1cee n SER 30 Cb 0.00 0.11 0.13 0.00 -0.75 0.00 0.00 64.21 63.70 1cee n SER 30 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1cee s GLU 31 N -1.75 1.68 -0.34 -1.46 8.01 -1.26 -5.02 118.70 118.56 1cee s GLU 31 Ca 0.00 1.37 0.01 0.00 0.01 0.00 0.00 54.97 56.36 1cee s GLU 31 Cb 0.00 -1.82 0.11 0.00 -4.31 0.00 0.00 34.13 28.11 1cee s GLU 31 CO 0.00 -2.11 0.11 -0.47 0.01 0.00 0.00 175.26 172.81 1cee s TYR 32 N -2.75 2.15 0.00 1.61 5.04 -1.26 -4.91 117.35 117.24 1cee s TYR 32 Ca 0.64 -2.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.17 1cee s TYR 32 Cb -0.20 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.13 1cee s TYR 32 CO 0.56 -0.87 0.00 1.33 -1.34 0.00 0.00 175.55 175.23 1cee n VAL 33 N 4.50 0.00 0.12 3.14 0.24 -1.26 -5.06 118.33 120.01 1cee n VAL 33 Ca 0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.34 1cee n VAL 33 Cb 0.41 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.82 1cee n VAL 33 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1cee n PRO 34 N 0.00 0.89 -3.01 7.34 -0.04 -1.26 -4.92 135.00 134.01 1cee n PRO 34 Ca 0.00 -1.17 -0.44 0.00 -0.04 0.00 0.00 63.50 61.84 1cee n PRO 34 Cb 0.00 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 1cee n PRO 34 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1cee s THR 35 N -0.66 4.89 0.00 0.52 2.01 -1.26 -4.46 115.64 116.67 1cee s THR 35 Ca 0.09 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.38 1cee s THR 35 Cb 0.05 -4.71 0.00 0.00 0.01 0.00 0.00 72.50 67.85 1cee s THR 35 CO 0.08 -1.41 0.00 0.52 -0.69 0.00 0.00 174.62 173.12 1cee n VAL 36 N 5.22 0.00 -3.49 3.82 0.31 -1.26 -4.93 118.33 118.00 1cee n VAL 36 Ca 0.21 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.55 1cee n VAL 36 Cb 0.48 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.36 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 -0.93 -0.36 -0.18 3.52 2.19 -1.26 -4.06 117.98 116.90 1cee s PHE 37 Ca 0.00 0.68 -0.04 0.00 0.33 0.00 0.00 56.93 57.89 1cee s PHE 37 Cb 0.00 0.22 0.09 0.00 -1.31 0.00 0.00 43.02 42.02 1cee s PHE 37 CO 0.00 -0.18 0.28 -0.51 1.83 0.00 0.00 175.22 176.64 1cee s ASP 38 N 1.68 0.65 -0.31 6.13 1.01 -1.23 -5.01 116.67 119.59 1cee s ASP 38 Ca -0.05 0.26 -0.12 0.00 0.71 0.00 0.00 52.55 53.36 1cee s ASP 38 Cb -0.03 0.70 -0.03 0.00 1.01 0.00 0.00 42.92 44.57 1cee s ASP 38 CO -0.14 -0.28 0.20 0.21 0.21 0.00 0.00 175.17 175.37 1cee s ASN 39 N 2.42 5.95 -0.04 0.27 3.04 -1.26 -1.86 114.94 123.47 1cee s ASN 39 Ca 0.05 -0.26 0.04 0.00 0.04 0.00 0.00 52.86 52.73 1cee s ASN 39 Cb -0.14 -2.11 -0.03 0.00 -1.54 0.00 0.00 41.25 37.44 1cee s ASN 39 CO -0.11 -0.15 -0.14 -0.31 -3.04 0.00 0.00 177.10 173.35 1cee s TYR 40 N 1.72 2.69 -0.17 0.43 2.02 0.16 -4.97 117.35 119.24 1cee s TYR 40 Ca 0.06 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 1cee s TYR 40 Cb -0.17 -1.61 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 1cee s TYR 40 CO 0.10 0.20 -0.16 0.00 -1.57 0.00 0.00 175.55 174.12 1cee s ALA 41 N -0.77 2.12 0.21 3.71 0.00 -1.26 0.13 121.76 125.90 1cee s ALA 41 Ca 0.12 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.01 1cee s ALA 41 Cb -0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 1cee s ALA 41 CO 0.01 -0.47 0.25 0.08 0.00 0.00 0.00 175.76 175.64 1cee s VAL 42 N 1.37 4.88 -0.46 0.00 1.01 -0.62 -4.87 120.40 121.71 1cee s VAL 42 Ca 0.03 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1cee s VAL 42 Cb -0.14 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.78 1cee s VAL 42 CO -0.11 -0.24 0.19 -0.89 0.00 0.00 0.00 175.10 174.06 1cee s THR 43 N -1.92 2.61 0.18 3.92 2.01 -1.26 0.30 115.64 121.48 1cee s THR 43 Ca 0.33 -2.86 0.05 0.00 0.31 0.00 0.00 61.69 59.52 1cee s THR 43 Cb -0.09 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1cee s THR 43 CO 0.27 -0.73 0.18 -0.69 -0.69 0.00 0.00 174.62 172.96 1cee s VAL 44 N 0.25 4.67 -0.98 3.82 1.01 -0.48 -4.85 120.40 123.85 1cee s VAL 44 Ca 0.14 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1cee s VAL 44 Cb -0.23 -3.42 0.12 0.00 0.00 0.00 0.00 36.38 32.85 1cee s VAL 44 CO -0.03 -0.15 1.22 -0.04 0.00 0.00 0.00 175.10 176.09 1cee s MET 45 N -3.28 3.64 -0.15 2.72 -1.94 -1.26 0.15 119.30 119.19 1cee s MET 45 Ca 0.32 -1.72 -0.04 0.00 -1.71 0.00 0.00 55.69 52.54 1cee s MET 45 Cb -0.10 -5.02 -0.03 0.00 2.01 0.00 0.00 34.83 31.69 1cee s MET 45 CO 0.25 -1.86 0.00 0.42 -0.01 0.00 0.00 175.02 173.82 1cee s ILE 46 N 3.03 4.29 -1.93 2.53 1.01 0.91 -4.46 121.20 126.57 1cee s ILE 46 Ca 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1cee s ILE 46 Cb -0.04 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.55 1cee s ILE 46 CO -0.08 0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1cee n GLY 47 N 3.20 1.03 1.85 6.18 0.00 -1.26 -1.58 105.19 114.61 1cee n GLY 47 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 0.45 3.24 -0.02 0.00 -1.26 -5.05 105.19 101.81 1cee n GLY 48 Ca -0.21 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.59 0.61 -0.91 1.61 2.02 -0.62 -5.09 118.70 113.74 1cee s GLU 49 Ca 0.00 -0.05 -0.25 0.00 0.02 0.00 0.00 54.97 54.69 1cee s GLU 49 Cb 0.00 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.45 1cee s GLU 49 CO 0.00 -0.15 1.96 -1.25 0.02 0.00 0.00 175.26 175.84 1cee s PRO 50 N -1.01 2.52 0.78 0.39 0.04 -1.26 -0.06 135.00 136.40 1cee s PRO 50 Ca -0.11 -0.29 -0.10 0.00 0.04 0.00 0.00 61.00 60.54 1cee s PRO 50 Cb -0.05 -5.06 0.08 0.00 0.04 0.00 0.00 34.50 29.52 1cee s PRO 50 CO 0.03 -3.44 1.13 0.71 0.04 0.00 0.00 177.00 175.48 1cee s TYR 51 N 10.30 2.83 -0.07 0.56 1.51 0.39 -4.83 117.35 128.05 1cee s TYR 51 Ca 0.71 0.61 0.04 0.00 -1.01 0.00 0.00 57.07 57.41 1cee s TYR 51 Cb -0.07 -3.44 -0.02 0.00 -0.11 0.00 0.00 41.96 38.33 1cee s TYR 51 CO 0.00 -1.72 -0.18 0.99 -1.11 0.00 0.00 175.55 173.54 1cee s THR 52 N -3.49 2.70 -0.34 -0.71 2.01 -0.79 -1.38 115.64 113.64 1cee s THR 52 Ca 0.62 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1cee s THR 52 Cb -0.10 -2.05 0.07 0.00 0.01 0.00 0.00 72.50 70.42 1cee s THR 52 CO 0.48 0.57 0.09 -0.22 -0.69 0.00 0.00 174.62 174.85 1cee s LEU 53 N -0.30 4.44 -0.69 4.42 2.96 0.15 -1.46 118.68 128.19 1cee s LEU 53 Ca 0.02 -1.48 -0.27 0.00 -0.22 0.00 0.00 54.13 52.18 1cee s LEU 53 Cb -0.13 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.79 1cee s LEU 53 CO 0.03 -0.37 1.44 -0.83 -1.32 0.00 0.00 176.35 175.30 1cee s GLY 54 N 1.49 0.71 -0.26 7.98 0.00 0.13 -1.59 107.32 115.77 1cee s GLY 54 Ca -0.00 -1.13 -0.15 0.00 0.00 0.00 0.00 44.72 43.43 1cee s GLY 54 CO -0.01 2.86 0.40 1.08 0.00 0.00 0.00 173.10 177.43 1cee s LEU 55 N 6.63 4.06 -0.18 0.66 1.43 0.36 0.03 118.68 131.65 1cee s LEU 55 Ca 0.45 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1cee s LEU 55 Cb -0.09 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1cee s LEU 55 CO 0.17 -0.18 -0.19 -0.36 0.23 0.00 0.00 176.35 176.01 1cee s PHE 56 N 2.00 2.79 -0.19 0.29 0.08 0.75 0.39 117.98 124.09 1cee s PHE 56 Ca 0.16 -1.64 -0.12 0.00 0.12 0.00 0.00 56.93 55.46 1cee s PHE 56 Cb -0.16 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 1cee s PHE 56 CO 0.09 -0.80 0.23 0.34 -0.10 0.00 0.00 175.22 174.98 1cee s ASP 57 N 1.29 6.32 0.52 1.36 2.15 -0.77 -0.71 116.67 126.83 1cee s ASP 57 Ca 0.05 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.40 1cee s ASP 57 Cb -0.13 -2.14 0.06 0.00 -0.30 0.00 0.00 42.92 40.41 1cee s ASP 57 CO -0.13 0.11 0.44 0.35 -0.17 0.00 0.00 175.17 175.78 1cee n THR 58 N 3.67 0.00 -0.02 1.71 -2.24 -1.24 -3.54 114.28 112.62 1cee n THR 58 Ca -0.13 -0.72 0.05 0.00 -2.27 0.00 0.00 64.05 60.98 1cee n THR 58 Cb 0.52 -1.13 -0.15 0.00 -2.10 0.00 0.00 70.33 67.47 1cee n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cee n ALA 59 N -2.94 2.43 -3.56 6.98 0.00 -1.26 -4.39 120.51 117.78 1cee n ALA 59 Ca -0.07 -0.70 -0.23 0.00 0.00 0.00 0.00 53.44 52.44 1cee n ALA 59 Cb 0.27 -0.65 0.08 0.00 0.00 0.00 0.00 19.45 19.14 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 1.38 -0.50 1.50 0.00 0.00 -1.26 -4.82 105.19 101.49 1cee n GLY 60 Ca -0.11 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.84 0.25 -0.04 1.61 1.13 -1.26 -3.96 117.38 110.27 1cee n GLN 61 Ca -0.01 -1.41 -0.03 0.00 -1.94 0.00 0.00 57.00 53.62 1cee n GLN 61 Cb 0.56 1.24 -0.09 0.00 0.11 0.00 0.00 30.24 32.07 1cee n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1cee n GLU 62 N -0.28 1.80 0.27 -1.09 2.13 -1.26 -4.49 120.64 117.73 1cee n GLU 62 Ca 0.02 -0.03 0.15 0.00 0.66 0.00 0.00 57.16 57.96 1cee n GLU 62 Cb 0.27 -1.28 0.77 0.00 0.27 0.00 0.00 31.44 31.47 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 0.00 -0.73 4.31 1.82 -2.00 -2.33 116.42 117.48 1cee h ASP 63 Ca -0.23 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.06 1cee h ASP 63 Cb 1.42 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 41.22 1cee h ASP 63 CO 0.01 0.09 0.35 -1.22 -1.61 0.00 0.00 179.24 176.86 1cee n TYR 64 N -3.39 2.29 0.29 0.28 4.02 -1.26 -4.53 117.16 114.85 1cee n TYR 64 Ca -0.01 -1.64 0.17 0.00 -0.01 0.00 0.00 57.90 56.42 1cee n TYR 64 Cb 0.25 -0.75 0.82 0.00 -0.02 0.00 0.00 39.34 39.65 1cee n TYR 64 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1cee h ASP 65 N 1.30 0.00 0.60 7.72 3.58 -1.66 -1.86 116.42 126.10 1cee h ASP 65 Ca 0.43 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.85 1cee h ASP 65 Cb 2.37 0.00 0.01 0.00 1.72 0.00 0.00 39.33 43.42 1cee h ASP 65 CO 0.80 0.04 -0.29 0.03 -2.88 0.00 0.00 179.24 176.94 1cee h ARG 66 N 0.00 -0.78 -0.77 0.28 2.47 -1.85 -3.21 114.38 110.52 1cee h ARG 66 Ca -0.00 0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 1cee h ARG 66 Cb 0.36 0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1cee h ARG 66 CO 0.01 -0.52 0.05 1.47 0.56 0.00 0.00 179.97 181.54 1cee n LEU 67 N -4.77 4.14 -0.01 3.04 -0.00 -1.21 -4.46 117.00 113.72 1cee n LEU 67 Ca -0.10 -2.11 -0.01 0.00 -0.00 0.00 0.00 56.01 53.79 1cee n LEU 67 Cb 0.32 -0.63 -0.00 0.00 -0.00 0.00 0.00 43.42 43.11 1cee n LEU 67 CO 0.24 0.53 0.03 -0.09 -0.00 0.00 0.00 177.39 178.10 1cee h ARG 68 N 2.28 -0.03 0.00 1.47 1.12 -1.34 -3.34 114.38 114.54 1cee h ARG 68 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1cee h ARG 68 Cb 1.52 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.49 1cee h ARG 68 CO 0.36 -0.02 0.26 -1.00 -3.11 0.00 0.00 179.97 176.45 1cee h PRO 69 N -0.55 0.00 -0.84 0.20 0.13 -1.78 -2.69 132.00 126.47 1cee h PRO 69 Ca -0.00 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.37 1cee h PRO 69 Cb 0.03 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 1cee h PRO 69 CO 0.01 0.00 0.83 -0.07 -0.23 0.00 0.00 178.00 178.54 1cee h LEU 70 N 0.00 0.00 -2.71 1.56 3.38 -1.84 1.23 115.31 116.93 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 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1cee h LEU 70 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1cee n SER 71 N -3.64 3.96 -0.10 -0.43 3.41 -1.02 -4.46 113.62 111.36 1cee n SER 71 Ca 0.18 -2.04 -0.23 0.00 -0.26 0.00 0.00 58.87 56.52 1cee n SER 71 Cb 1.11 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 64.45 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1cee n TYR 72 N 1.59 0.86 -0.31 7.33 4.02 0.42 -4.55 117.16 126.52 1cee n TYR 72 Ca 0.24 0.34 -0.10 0.00 -0.01 0.00 0.00 57.90 58.37 1cee n TYR 72 Cb 0.64 -1.09 -0.09 0.00 -0.02 0.00 0.00 39.34 38.78 1cee n TYR 72 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1cee h PRO 73 N -0.85 -0.09 -3.13 -0.72 0.11 -1.78 -2.46 132.00 123.08 1cee h PRO 73 Ca -0.42 0.01 -0.74 0.00 0.11 0.00 0.00 66.00 64.95 1cee h PRO 73 Cb 1.45 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.46 1cee h PRO 73 CO -0.21 -0.06 2.38 1.04 -0.21 0.00 0.00 178.00 180.94 1cee n GLN 74 N -5.03 3.98 -4.25 1.05 6.02 -1.26 -4.93 117.38 112.97 1cee n GLN 74 Ca 0.01 -3.35 -0.20 0.00 -0.01 0.00 0.00 57.00 53.44 1cee n GLN 74 Cb 0.25 -2.82 -0.12 0.00 1.02 0.00 0.00 30.24 28.58 1cee n GLN 74 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1cee s THR 75 N 0.04 1.44 0.06 5.09 2.01 -0.93 -4.78 115.64 118.57 1cee s THR 75 Ca 0.48 -1.57 0.00 0.00 0.31 0.00 0.00 61.69 60.91 1cee s THR 75 Cb 0.14 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1cee s THR 75 CO -0.04 -0.24 0.00 -0.67 -0.69 0.00 0.00 174.62 172.97 1cee n ASP 76 N 0.88 0.57 -4.70 3.53 -0.08 -1.10 -4.97 116.55 110.68 1cee n ASP 76 Ca -0.18 0.09 -0.27 0.00 -1.51 0.00 0.00 54.79 52.92 1cee n ASP 76 Cb 0.55 -0.16 -0.09 0.00 2.34 0.00 0.00 41.12 43.77 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1cee s VAL 77 N -2.00 1.99 -0.02 5.18 0.11 -1.22 -3.40 120.40 121.03 1cee s VAL 77 Ca 0.00 -1.85 0.02 0.00 -2.93 0.00 0.00 61.98 57.21 1cee s VAL 77 Cb 0.00 -2.84 0.01 0.00 -1.53 0.00 0.00 36.38 32.02 1cee s VAL 77 CO 0.00 0.00 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.35 1cee s PHE 78 N -2.69 0.66 -0.59 1.54 0.08 -1.17 -3.78 117.98 112.03 1cee s PHE 78 Ca 0.33 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 57.08 1cee s PHE 78 Cb 0.06 -0.51 0.15 0.00 -0.57 0.00 0.00 43.02 42.14 1cee s PHE 78 CO 0.18 -0.09 0.54 -0.51 -0.10 0.00 0.00 175.22 175.24 1cee s LEU 79 N 0.35 6.27 -1.02 -0.37 1.02 -0.24 0.01 118.68 124.70 1cee s LEU 79 Ca -0.04 -1.95 -0.16 0.00 0.02 0.00 0.00 54.13 51.99 1cee s LEU 79 Cb -0.08 -2.20 0.17 0.00 0.02 0.00 0.00 46.19 44.09 1cee s LEU 79 CO -0.00 -0.80 1.17 -0.69 0.02 0.00 0.00 176.35 176.05 1cee s VAL 80 N 1.34 5.04 -0.45 -1.59 1.01 -0.66 -0.40 120.40 124.69 1cee s VAL 80 Ca 0.06 -2.17 -0.28 0.00 0.00 0.00 0.00 61.98 59.59 1cee s VAL 80 Cb -0.26 -4.77 0.03 0.00 0.00 0.00 0.00 36.38 31.38 1cee s VAL 80 CO 0.01 -1.45 1.05 0.00 0.00 0.00 0.00 175.10 174.70 1cee s PHE 82 N 4.07 2.61 -0.08 0.00 -0.71 -0.61 -4.79 117.98 118.46 1cee s PHE 82 Ca 0.43 -0.22 -0.30 0.00 -1.04 0.00 0.00 56.93 55.80 1cee s PHE 82 Cb -0.09 -1.57 -0.04 0.00 -1.21 0.00 0.00 43.02 40.10 1cee s PHE 82 CO 0.27 0.16 1.52 -1.12 -1.34 0.00 0.00 175.22 174.71 1cee s SER 83 N -0.86 6.76 0.32 1.98 0.01 -1.26 -2.97 113.70 117.69 1cee s SER 83 Ca 0.12 2.06 0.09 0.00 1.31 0.00 0.00 55.95 59.53 1cee s SER 83 Cb -0.10 -2.54 0.56 0.00 0.21 0.00 0.00 66.02 64.15 1cee s SER 83 CO 0.01 -0.86 1.75 0.58 0.41 0.00 0.00 173.24 175.13 1cee h VAL 84 N 5.50 1.29 -0.68 3.43 2.07 -1.80 -2.89 116.25 123.17 1cee h VAL 84 Ca -0.35 -1.41 -0.41 0.00 0.82 0.00 0.00 66.70 65.36 1cee h VAL 84 Cb 1.15 1.66 -0.21 0.00 -1.52 0.00 0.00 31.29 32.38 1cee h VAL 84 CO 0.96 0.42 0.52 1.33 0.02 0.00 0.00 177.57 180.81 1cee n VAL 85 N -4.06 2.79 -3.26 2.57 0.24 -1.26 0.53 118.33 115.87 1cee n VAL 85 Ca -0.01 -1.70 -0.05 0.00 -2.04 0.00 0.00 64.34 60.54 1cee n VAL 85 Cb 0.44 -0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 31.86 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 -0.60 -0.40 0.46 -1.34 0.15 -1.09 -4.76 113.70 106.12 1cee s SER 86 Ca 0.41 -0.67 0.24 0.00 0.70 0.00 0.00 55.95 56.64 1cee s SER 86 Cb 0.34 1.42 1.27 0.00 -1.71 0.00 0.00 66.02 67.33 1cee s SER 86 CO 0.04 -0.27 1.84 -0.65 1.20 0.00 0.00 173.24 175.40 1cee h PRO 87 N 7.53 0.23 -0.28 5.44 0.11 -1.81 -2.05 132.00 141.17 1cee h PRO 87 Ca 0.00 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.16 1cee h PRO 87 Cb 1.14 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1cee h PRO 87 CO 0.18 0.15 -0.33 0.77 -0.21 0.00 0.00 178.00 178.55 1cee h SER 88 N 0.23 -1.08 -0.47 -2.05 0.02 -1.92 0.56 113.55 108.83 1cee h SER 88 Ca 0.50 0.17 0.04 0.00 -0.84 0.00 0.00 61.79 61.66 1cee h SER 88 Cb 1.55 0.48 -0.04 0.00 0.14 0.00 0.00 62.40 64.53 1cee h SER 88 CO -0.14 -0.34 0.25 0.77 -1.14 0.00 0.00 176.83 176.23 1cee h SER 89 N -0.33 0.36 -0.63 3.07 4.64 -1.67 -2.49 113.55 116.51 1cee h SER 89 Ca 0.13 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.57 1cee h SER 89 Cb 0.55 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.52 1cee h SER 89 CO -0.46 0.25 0.26 0.15 -0.87 0.00 0.00 176.83 176.16 1cee h PHE 90 N 0.49 0.45 0.17 4.77 3.57 -1.18 1.63 116.94 126.84 1cee h PHE 90 Ca 0.20 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1cee h PHE 90 Cb 0.10 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1cee h PHE 90 CO -0.10 0.13 -0.08 0.93 -2.23 0.00 0.00 178.31 176.96 1cee h GLU 91 N 0.45 -0.22 -0.33 1.11 5.08 -0.52 -2.87 114.58 117.27 1cee h GLU 91 Ca 0.31 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1cee h GLU 91 Cb 0.37 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1cee h GLU 91 CO -0.29 -0.15 -0.39 -0.91 -1.00 0.00 0.00 179.01 176.27 1cee h ASN 92 N -0.23 0.85 -0.99 1.42 4.21 -1.06 -2.66 115.58 117.11 1cee h ASN 92 Ca -0.02 -0.38 0.30 0.00 1.21 0.00 0.00 56.30 57.40 1cee h ASN 92 Cb 0.18 -0.24 -0.18 0.00 -1.12 0.00 0.00 38.32 36.96 1cee h ASN 92 CO 0.04 1.13 0.11 0.52 -1.29 0.00 0.00 177.43 177.94 1cee n VAL 93 N -4.05 -0.42 0.05 2.81 0.31 0.55 0.19 118.33 117.78 1cee n VAL 93 Ca -0.02 2.15 -0.01 0.00 -0.01 0.00 0.00 64.34 66.45 1cee n VAL 93 Cb 0.53 -3.20 -0.07 0.00 -0.91 0.00 0.00 33.84 30.19 1cee n VAL 93 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1cee h LYS 94 N 0.00 0.00 -2.10 5.55 2.10 -1.49 -3.16 116.57 117.47 1cee h LYS 94 Ca 0.65 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.76 1cee h LYS 94 Cb 1.42 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.34 1cee h LYS 94 CO -0.90 0.42 -0.99 0.39 -2.00 0.00 0.00 179.45 176.37 1cee n GLU 95 N -3.02 1.69 0.00 0.07 1.02 0.34 -4.70 120.64 116.03 1cee n GLU 95 Ca -0.07 -3.87 0.00 0.00 -0.02 0.00 0.00 57.16 53.20 1cee n GLU 95 Cb 0.85 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 0.33 0.00 0.08 3.49 4.81 0.50 -4.56 118.16 122.80 1cee n LYS 96 Ca 0.27 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.61 1cee n LYS 96 Cb 0.55 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.53 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1cee h TRP 97 N 0.00 -0.26 -0.06 5.64 4.06 -1.39 -3.12 115.95 120.81 1cee h TRP 97 Ca 0.00 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.86 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 0.11 -0.27 0.28 -3.56 0.00 0.00 178.44 175.00 1cee h VAL 98 N -0.93 1.43 -0.87 1.49 2.07 -1.79 -3.28 116.25 114.38 1cee h VAL 98 Ca -0.03 -1.68 0.20 0.00 0.82 0.00 0.00 66.70 66.00 1cee h VAL 98 Cb 0.49 2.34 -0.12 0.00 -1.52 0.00 0.00 31.29 32.48 1cee h VAL 98 CO 0.05 0.48 0.38 -0.65 0.02 0.00 0.00 177.57 177.84 1cee h PRO 99 N -0.21 0.42 -0.47 1.57 0.11 -1.84 0.55 132.00 132.12 1cee h PRO 99 Ca -0.02 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.21 1cee h PRO 99 Cb 0.92 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1cee h PRO 99 CO 0.06 0.28 0.42 0.93 -0.21 0.00 0.00 178.00 179.47 1cee h GLU 100 N 0.43 0.00 0.08 1.05 4.39 -1.60 -1.51 114.58 117.42 1cee h GLU 100 Ca 0.52 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.86 1cee h GLU 100 Cb 0.93 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 1cee h GLU 100 CO -0.49 0.00 -2.00 -0.89 -1.16 0.00 0.00 179.01 174.47 1cee n ILE 101 N -4.00 1.68 -0.28 3.13 5.41 0.17 -4.22 119.36 121.25 1cee n ILE 101 Ca 0.09 -0.53 0.17 0.00 1.00 0.00 0.00 62.75 63.47 1cee n ILE 101 Cb 0.62 -1.73 0.44 0.00 -0.71 0.00 0.00 39.64 38.25 1cee n ILE 101 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1cee h THR 102 N -0.15 0.70 0.00 1.39 1.35 0.07 0.81 112.91 117.07 1cee h THR 102 Ca -0.46 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1cee h THR 102 Cb 1.88 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1cee h THR 102 CO -0.01 0.10 -0.01 -0.74 -0.25 0.00 0.00 175.52 174.61 1cee h HIS 103 N 0.55 0.00 0.00 4.73 6.17 -1.52 -2.85 115.15 122.23 1cee h HIS 103 Ca 0.51 0.00 -0.28 0.00 0.71 0.00 0.00 60.37 61.31 1cee h HIS 103 Cb 1.06 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.94 1cee h HIS 103 CO -0.00 0.01 -1.98 0.72 0.71 0.00 0.00 177.93 177.38 1cee n HIS 104 N -3.16 0.00 -3.36 5.26 -0.00 0.20 -4.93 115.22 109.23 1cee n HIS 104 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.50 1cee n HIS 104 Cb 0.12 -0.65 -0.08 0.00 -0.00 0.00 0.00 29.99 29.39 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 3.99 1.34 -0.04 0.00 -0.04 -1.08 -3.69 135.00 135.48 1cee n PRO 106 Ca 0.14 -0.53 -0.04 0.00 -0.04 0.00 0.00 63.50 63.02 1cee n PRO 106 Cb 0.44 -1.15 -0.05 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.10 1.91 -1.69 0.54 0.00 -1.26 -5.03 118.16 112.52 1cee n LYS 107 Ca 0.07 0.02 -0.39 0.00 -0.00 0.00 0.00 58.31 58.01 1cee n LYS 107 Cb 0.13 -1.18 0.04 0.00 -0.00 0.00 0.00 35.03 34.03 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 -2.44 3.68 -1.11 0.58 -2.24 -1.24 -4.94 114.28 106.57 1cee n THR 108 Ca -0.13 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.81 1cee n THR 108 Cb 0.71 -1.47 0.11 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.91 0.15 -3.63 -0.78 -0.04 -1.22 -4.95 135.00 123.62 1cee n PRO 109 Ca 0.11 0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 63.39 1cee n PRO 109 Cb 0.45 -2.12 -0.15 0.00 -0.04 0.00 0.00 33.50 31.63 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 -2.09 0.89 0.17 0.54 0.08 -1.26 -3.02 117.98 113.29 1cee s PHE 110 Ca 0.68 -1.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.26 1cee s PHE 110 Cb -0.30 -1.21 -0.07 0.00 -0.57 0.00 0.00 43.02 40.87 1cee s PHE 110 CO 0.56 -0.81 1.08 -1.17 -0.10 0.00 0.00 175.22 174.78 1cee s LEU 111 N 1.90 4.49 -0.66 -0.37 1.98 0.10 -0.91 118.68 125.21 1cee s LEU 111 Ca 0.08 2.06 -0.07 0.00 -2.89 0.00 0.00 54.13 53.31 1cee s LEU 111 Cb -0.17 -3.60 0.17 0.00 0.66 0.00 0.00 46.19 43.26 1cee s LEU 111 CO -0.29 -0.20 0.53 -0.22 -1.89 0.00 0.00 176.35 174.28 1cee s LEU 112 N -0.34 5.79 -0.04 -0.68 2.96 -0.75 -1.65 118.68 123.97 1cee s LEU 112 Ca 0.49 -2.66 -0.24 0.00 -0.22 0.00 0.00 54.13 51.50 1cee s LEU 112 Cb -0.29 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1cee s LEU 112 CO 0.34 -0.48 0.71 -0.69 -1.32 0.00 0.00 176.35 174.91 1cee s VAL 113 N 0.22 4.97 -0.32 1.68 1.01 -0.92 -1.54 120.40 125.51 1cee s VAL 113 Ca 0.16 1.47 -0.06 0.00 0.00 0.00 0.00 61.98 63.55 1cee s VAL 113 Cb -0.18 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1cee s VAL 113 CO -0.05 0.29 0.08 -0.83 0.00 0.00 0.00 175.10 174.59 1cee s GLY 114 N 0.54 1.81 0.46 4.51 0.00 -0.40 -1.58 107.32 112.66 1cee s GLY 114 Ca 0.37 -1.68 0.06 0.00 0.00 0.00 0.00 44.72 43.47 1cee s GLY 114 CO 0.19 0.73 0.23 -1.59 0.00 0.00 0.00 173.10 172.65 1cee s THR 115 N 1.40 1.97 -0.04 0.90 2.01 -1.16 -0.01 115.64 120.70 1cee s THR 115 Ca -0.01 -1.67 -0.00 0.00 0.31 0.00 0.00 61.69 60.32 1cee s THR 115 Cb -0.19 -2.63 -0.00 0.00 0.01 0.00 0.00 72.50 69.69 1cee s THR 115 CO 0.02 0.00 0.04 1.67 -0.69 0.00 0.00 174.62 175.65 1cee n GLN 116 N -1.40 -0.23 0.00 4.92 -0.06 -1.26 -2.84 117.38 116.51 1cee n GLN 116 Ca -0.04 0.03 -0.18 0.00 -2.00 0.00 0.00 57.00 54.82 1cee n GLN 116 Cb 0.65 -2.56 -0.14 0.00 -4.06 0.00 0.00 30.24 24.13 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 -0.07 1.63 -0.96 1.69 2.04 -1.88 -2.67 117.51 117.29 1cee h ILE 117 Ca -0.02 -2.46 0.31 0.00 1.00 0.00 0.00 64.86 63.68 1cee h ILE 117 Cb 1.01 3.28 -0.17 0.00 -0.74 0.00 0.00 36.82 40.21 1cee h ILE 117 CO 0.02 0.67 0.28 0.44 0.00 0.00 0.00 178.15 179.56 1cee h ASP 118 N -0.62 -0.03 0.19 1.72 5.19 -1.95 0.72 116.42 121.65 1cee h ASP 118 Ca -0.09 0.24 -0.31 0.00 -0.62 0.00 0.00 57.03 56.26 1cee h ASP 118 Cb 1.39 0.33 0.03 0.00 0.18 0.00 0.00 39.33 41.26 1cee h ASP 118 CO 0.09 -0.30 -1.32 0.25 -3.12 0.00 0.00 179.24 174.84 1cee h LEU 119 N 0.10 0.85 -2.12 1.55 7.12 -1.96 -3.20 115.31 117.64 1cee h LEU 119 Ca 0.67 -0.83 0.08 0.00 0.13 0.00 0.00 57.88 57.93 1cee h LEU 119 Cb 1.52 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 1cee h LEU 119 CO -0.77 1.63 0.29 -0.09 -0.13 0.00 0.00 178.44 179.36 1cee h ARG 120 N 0.23 0.00 -0.65 1.25 2.43 0.66 0.48 114.38 118.77 1cee h ARG 120 Ca -0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1cee h ARG 120 Cb 2.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1cee h ARG 120 CO 0.25 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 175.24 1cee n ASP 121 N -3.85 4.75 -3.99 -3.80 -0.08 0.58 -4.69 116.55 105.47 1cee n ASP 121 Ca 0.04 -2.48 -0.35 0.00 -1.51 0.00 0.00 54.79 50.48 1cee n ASP 121 Cb 0.43 -0.59 -0.06 0.00 2.34 0.00 0.00 41.12 43.25 1cee n ASP 121 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1cee n ASP 122 N 1.06 4.40 -0.45 1.67 -0.08 0.17 -4.91 116.55 118.40 1cee n ASP 122 Ca 0.25 -3.22 0.41 0.00 -1.51 0.00 0.00 54.79 50.73 1cee n ASP 122 Cb 0.90 -1.02 0.73 0.00 2.34 0.00 0.00 41.12 44.08 1cee n ASP 122 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1cee h PRO 123 N 5.62 0.00 -1.00 -0.67 0.11 -1.84 0.24 132.00 134.47 1cee h PRO 123 Ca 0.17 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.40 1cee h PRO 123 Cb 0.76 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.79 1cee h PRO 123 CO 0.91 0.00 0.62 1.03 -0.21 0.00 0.00 178.00 180.36 1cee h SER 124 N 0.00 0.92 0.06 -2.05 0.87 -1.93 0.34 113.55 111.76 1cee h SER 124 Ca 0.70 0.05 -0.36 0.00 -1.23 0.00 0.00 61.79 60.95 1cee h SER 124 Cb 3.01 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 64.79 1cee h SER 124 CO -0.01 0.49 -2.05 0.35 -0.53 0.00 0.00 176.83 175.09 1cee n THR 125 N -4.62 1.64 -0.13 2.23 -2.24 0.79 -3.11 114.28 108.83 1cee n THR 125 Ca 0.19 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 1cee n THR 125 Cb 0.35 -1.73 0.02 0.00 -2.10 0.00 0.00 70.33 66.87 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 -0.25 0.51 0.00 2.28 2.04 -1.20 0.83 117.51 121.72 1cee h ILE 126 Ca -0.48 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 1cee h ILE 126 Cb 1.83 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1cee h ILE 126 CO -0.06 0.00 -0.49 -0.33 0.00 0.00 0.00 178.15 177.27 1cee h GLU 127 N -0.03 0.00 -0.31 2.37 5.08 -0.51 0.24 114.58 121.42 1cee h GLU 127 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1cee h GLU 127 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1cee h GLU 127 CO -0.47 0.49 0.14 -0.22 -1.00 0.00 0.00 179.01 177.95 1cee h LYS 128 N 0.00 0.45 0.00 2.33 3.64 -0.83 -3.23 116.57 118.93 1cee h LYS 128 Ca -0.00 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1cee h LYS 128 Cb 1.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1cee h LYS 128 CO 0.06 0.43 -1.86 1.47 -2.27 0.00 0.00 179.45 177.28 1cee n LEU 129 N -4.76 0.16 -0.07 5.20 -0.00 -0.42 -4.26 117.00 112.86 1cee n LEU 129 Ca -0.02 0.06 0.25 0.00 -0.00 0.00 0.00 56.01 56.31 1cee n LEU 129 Cb 0.11 0.04 0.61 0.00 -0.00 0.00 0.00 43.42 44.17 1cee n LEU 129 CO 0.36 0.02 1.22 0.00 -0.00 0.00 0.00 177.39 178.99 1cee h ALA 130 N 1.89 2.55 0.00 1.47 0.00 -0.42 0.35 119.26 125.10 1cee h ALA 130 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cee h ALA 130 Cb 1.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cee h ALA 130 CO 0.00 -1.21 -0.06 1.63 0.00 0.00 0.00 179.25 179.62 1cee n LYS 131 N -3.48 1.57 -0.04 0.00 4.76 -1.25 -4.71 118.16 115.00 1cee n LYS 131 Ca 0.15 -1.93 -0.04 0.00 -2.87 0.00 0.00 58.31 53.62 1cee n LYS 131 Cb 1.08 -1.16 -0.06 0.00 -1.84 0.00 0.00 35.03 33.04 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1cee n ASN 132 N -0.89 3.08 0.00 4.39 3.02 0.12 -5.00 115.26 119.97 1cee n ASN 132 Ca 0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1cee n ASN 132 Cb 0.52 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 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 -2.36 0.00 -3.21 3.52 2.85 -0.91 -5.10 118.16 112.95 1cee n LYS 133 Ca -0.14 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.93 1cee n LYS 133 Cb 0.75 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.13 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 2.63 -0.26 -1.58 1.11 -0.96 -5.01 119.66 115.58 1cee s GLN 134 Ca 0.00 -1.44 -0.27 0.00 0.01 0.00 0.00 55.36 53.67 1cee s GLN 134 Cb 0.00 -2.60 0.15 0.00 -1.01 0.00 0.00 33.01 29.55 1cee s GLN 134 CO 0.00 -0.37 1.19 -1.59 0.01 0.00 0.00 175.29 174.53 1cee s LYS 135 N -4.34 0.33 0.80 2.91 -2.85 -1.26 -3.01 119.74 112.32 1cee s LYS 135 Ca 0.53 0.27 -0.11 0.00 -1.00 0.00 0.00 55.97 55.67 1cee s LYS 135 Cb -0.07 0.16 0.07 0.00 -2.06 0.00 0.00 37.83 35.93 1cee s LYS 135 CO 0.32 -0.06 1.09 -1.25 0.10 0.00 0.00 175.35 175.55 1cee s PRO 136 N -0.27 2.02 -0.14 1.78 0.04 -1.26 -3.57 135.00 133.60 1cee s PRO 136 Ca 0.04 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.18 1cee s PRO 136 Cb -0.04 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1cee s PRO 136 CO -0.08 -1.80 0.04 0.42 0.04 0.00 0.00 177.00 175.62 1cee s ILE 137 N -2.89 4.60 0.36 0.56 -1.09 0.19 -4.96 121.20 117.96 1cee s ILE 137 Ca 0.62 -0.12 -0.17 0.00 -2.23 0.00 0.00 60.65 58.75 1cee s ILE 137 Cb -0.18 -3.02 -0.10 0.00 -1.58 0.00 0.00 42.46 37.59 1cee s ILE 137 CO 0.56 0.53 0.81 0.42 -1.23 0.00 0.00 174.94 176.04 1cee s THR 138 N -0.20 4.57 0.39 2.92 -4.23 -1.26 -4.92 115.64 112.91 1cee s THR 138 Ca 0.07 1.16 0.14 0.00 -1.18 0.00 0.00 61.69 61.87 1cee s THR 138 Cb -0.12 -3.62 0.35 0.00 1.34 0.00 0.00 72.50 70.45 1cee s THR 138 CO 0.02 -0.22 1.86 -0.65 -0.54 0.00 0.00 174.62 175.09 1cee h PRO 139 N 2.18 0.51 -0.16 3.99 0.11 -1.99 0.16 132.00 136.81 1cee h PRO 139 Ca -0.48 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1cee h PRO 139 Cb 1.18 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1cee h PRO 139 CO 0.64 0.34 -0.36 0.93 -0.21 0.00 0.00 178.00 179.34 1cee h GLU 140 N 0.52 0.34 -0.13 1.05 5.08 -1.99 0.10 114.58 119.55 1cee h GLU 140 Ca 0.46 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.47 1cee h GLU 140 Cb 0.98 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1cee h GLU 140 CO -0.20 0.65 -0.75 1.15 -1.00 0.00 0.00 179.01 178.87 1cee h THR 141 N 0.29 1.31 -0.27 1.13 2.02 -1.12 -2.81 112.91 113.46 1cee h THR 141 Ca 0.03 -2.01 -0.15 0.00 0.77 0.00 0.00 66.41 65.05 1cee h THR 141 Cb 0.77 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1cee h THR 141 CO 0.06 0.63 -0.41 0.00 0.37 0.00 0.00 175.52 176.17 1cee h ALA 142 N 0.70 0.42 0.15 6.16 0.00 -0.96 -3.18 119.26 122.55 1cee h ALA 142 Ca -0.04 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1cee h ALA 142 Cb 1.36 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1cee h ALA 142 CO 0.15 0.53 -0.46 1.49 0.00 0.00 0.00 179.25 180.96 1cee h GLU 143 N 0.51 -0.68 -0.92 0.00 4.22 -0.81 -0.19 114.58 116.71 1cee h GLU 143 Ca 0.03 0.05 0.17 0.00 0.08 0.00 0.00 59.36 59.69 1cee h GLU 143 Cb 1.00 0.16 -0.17 0.00 0.50 0.00 0.00 28.75 30.24 1cee h GLU 143 CO 0.09 -0.46 -0.28 -0.22 -2.18 0.00 0.00 179.01 175.97 1cee h LYS 144 N -0.71 -0.01 -0.80 1.92 3.64 -1.54 1.27 116.57 120.34 1cee h LYS 144 Ca 0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1cee h LYS 144 Cb 0.72 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1cee h LYS 144 CO -0.24 -0.01 0.53 -0.07 -2.27 0.00 0.00 179.45 177.39 1cee h LEU 145 N -0.01 0.90 -2.00 5.20 4.07 -1.39 1.15 115.31 123.23 1cee h LEU 145 Ca 0.41 -0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.52 1cee h LEU 145 Cb 0.65 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1cee h LEU 145 CO -0.95 0.64 0.46 0.00 -1.08 0.00 0.00 178.44 177.52 1cee h ALA 146 N 1.31 2.43 0.00 1.53 0.00 0.34 0.36 119.26 125.23 1cee h ALA 146 Ca 0.30 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.86 1cee h ALA 146 Cb -0.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1cee h ALA 146 CO -0.08 -0.75 -2.15 0.54 0.00 0.00 0.00 179.25 176.81 1cee n ARG 147 N -4.10 0.67 0.18 0.00 1.74 0.18 0.17 116.66 115.49 1cee n ARG 147 Ca 0.11 0.08 0.02 0.00 -0.77 0.00 0.00 57.85 57.28 1cee n ARG 147 Cb 0.69 -1.61 0.32 0.00 -1.02 0.00 0.00 32.46 30.84 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 0.00 0.00 -0.43 0.55 1.82 0.36 -2.73 116.42 115.99 1cee h ASP 148 Ca -0.44 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.17 1cee h ASP 148 Cb 2.12 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 42.11 1cee h ASP 148 CO 0.04 0.42 0.03 0.18 -1.61 0.00 0.00 179.24 178.30 1cee n LEU 149 N -4.04 4.80 -1.95 2.28 4.77 0.10 -4.92 117.00 118.05 1cee n LEU 149 Ca -0.02 -3.05 -0.16 0.00 -0.03 0.00 0.00 56.01 52.75 1cee n LEU 149 Cb 0.45 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1cee n LEU 149 CO 0.39 0.70 -0.18 0.29 -1.33 0.00 0.00 177.39 177.26 1cee n LYS 150 N -0.11 -1.67 -1.80 3.23 5.02 -1.03 -4.88 118.16 116.92 1cee n LYS 150 Ca 0.26 0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 57.00 1cee n LYS 150 Cb 1.07 -5.33 -0.02 0.00 -0.02 0.00 0.00 35.03 30.72 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 -2.59 3.81 0.35 7.82 0.00 0.45 -4.48 121.76 127.12 1cee s ALA 151 Ca 0.00 1.53 0.10 0.00 0.00 0.00 0.00 51.96 53.59 1cee s ALA 151 Cb 0.00 -3.65 0.85 0.00 0.00 0.00 0.00 23.12 20.31 1cee s ALA 151 CO 0.00 -0.92 1.82 -0.39 0.00 0.00 0.00 175.76 176.28 1cee h VAL 152 N 3.63 0.74 -1.04 0.00 -1.51 -1.24 -3.41 116.25 113.42 1cee h VAL 152 Ca -0.45 -0.23 0.33 0.00 -1.23 0.00 0.00 66.70 65.13 1cee h VAL 152 Cb 1.21 0.02 -0.21 0.00 -2.13 0.00 0.00 31.29 30.19 1cee h VAL 152 CO 0.87 0.12 0.99 -0.54 -1.23 0.00 0.00 177.57 177.77 1cee s LYS 153 N -5.69 0.02 -0.22 5.19 -0.14 -1.26 -5.06 119.74 112.58 1cee s LYS 153 Ca -0.10 -0.01 -0.05 0.00 -1.36 0.00 0.00 55.97 54.45 1cee s LYS 153 Cb 0.23 0.01 -0.02 0.00 -1.68 0.00 0.00 37.83 36.38 1cee s LYS 153 CO 0.79 -0.01 -0.01 -0.47 -0.76 0.00 0.00 175.35 174.90 1cee s TYR 154 N -2.03 3.01 -0.11 3.18 5.04 -1.26 -1.80 117.35 123.37 1cee s TYR 154 Ca 0.12 -0.65 -0.06 0.00 -2.44 0.00 0.00 57.07 54.03 1cee s TYR 154 Cb -0.01 -2.12 0.05 0.00 0.35 0.00 0.00 41.96 40.23 1cee s TYR 154 CO -0.02 -0.39 0.27 0.14 -1.34 0.00 0.00 175.55 174.21 1cee s VAL 155 N 1.30 -0.03 0.48 3.14 -7.23 -0.59 -5.02 120.40 112.44 1cee s VAL 155 Ca 0.04 0.12 -0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1cee s VAL 155 Cb -0.15 -0.42 0.00 0.00 0.56 0.00 0.00 36.38 36.38 1cee s VAL 155 CO 0.00 0.05 0.71 -1.61 -0.31 0.00 0.00 175.10 173.94 1cee s GLU 156 N 1.11 3.01 0.21 4.82 2.02 -1.26 -1.28 118.70 127.34 1cee s GLU 156 Ca -0.08 -0.44 -0.22 0.00 0.02 0.00 0.00 54.97 54.25 1cee s GLU 156 Cb -0.09 -2.52 0.05 0.00 0.10 0.00 0.00 34.13 31.68 1cee s GLU 156 CO -0.08 -0.36 0.66 0.00 0.02 0.00 0.00 175.26 175.51 1cee n SER 158 N -0.41 0.46 0.00 0.00 2.88 -1.05 -4.29 113.62 111.20 1cee n SER 158 Ca -0.11 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1cee n SER 158 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1cee n SER 158 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cee n ALA 159 N -3.00 2.92 -0.06 -1.46 0.00 -1.26 -4.40 120.51 113.25 1cee n ALA 159 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1cee n ALA 159 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 1cee n ALA 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cee h LEU 160 N 0.00 -0.39 0.00 0.00 7.12 -1.94 -3.14 115.31 116.96 1cee h LEU 160 Ca 0.00 0.10 -0.09 0.00 0.13 0.00 0.00 57.88 58.02 1cee h LEU 160 Cb 0.03 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.36 1cee h LEU 160 CO 0.00 -0.15 -2.06 0.41 -0.13 0.00 0.00 178.44 176.51 1cee n THR 161 N -5.28 0.34 -1.52 1.05 -1.04 -1.26 -4.83 114.28 101.74 1cee n THR 161 Ca -0.01 -0.57 -0.03 0.00 -2.04 0.00 0.00 64.05 61.40 1cee n THR 161 Cb 0.20 -0.11 -0.01 0.00 -1.82 0.00 0.00 70.33 68.59 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 -2.36 -0.20 -1.54 -2.82 6.02 -1.19 -4.93 117.38 110.36 1cee n GLN 162 Ca -0.11 0.38 -0.39 0.00 -0.01 0.00 0.00 57.00 56.88 1cee n GLN 162 Cb 0.70 -4.01 -0.05 0.00 1.02 0.00 0.00 30.24 27.90 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 -2.17 1.01 -1.95 -1.09 4.81 -1.26 -1.25 118.16 116.26 1cee n LYS 163 Ca -0.03 0.08 -0.19 0.00 -0.87 0.00 0.00 58.31 57.30 1cee n LYS 163 Cb 0.29 -3.09 -0.05 0.00 0.02 0.00 0.00 35.03 32.20 1cee n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cee n GLY 164 N 6.09 0.72 0.00 3.14 0.00 -1.26 -2.54 105.19 111.33 1cee n GLY 164 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.58 0.00 -0.34 0.99 7.94 -0.38 -2.87 117.00 119.76 1cee n LEU 165 Ca -0.20 0.51 0.08 0.00 -1.11 0.00 0.00 56.01 55.28 1cee n LEU 165 Cb 0.64 -0.01 0.26 0.00 0.53 0.00 0.00 43.42 44.85 1cee n LEU 165 CO 0.27 -0.01 1.23 0.07 -1.11 0.00 0.00 177.39 177.85 1cee h LYS 166 N 0.00 0.93 -1.53 1.96 2.10 -1.89 -1.43 116.57 116.71 1cee h LYS 166 Ca 0.00 -0.06 0.45 0.00 -2.00 0.00 0.00 60.65 59.04 1cee h LYS 166 Cb 0.00 -0.21 -0.08 0.00 -0.90 0.00 0.00 32.23 31.04 1cee h LYS 166 CO 0.00 0.61 1.07 -0.97 -2.00 0.00 0.00 179.45 178.17 1cee h ASN 167 N 0.95 0.07 -0.02 7.07 -1.24 -1.92 0.49 115.58 120.98 1cee h ASN 167 Ca 0.48 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.50 1cee h ASN 167 Cb 0.49 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1cee h ASN 167 CO -0.24 -0.03 -0.05 0.58 -1.29 0.00 0.00 177.43 176.40 1cee h VAL 168 N 0.04 1.45 0.00 2.57 2.07 -1.11 -3.09 116.25 118.18 1cee h VAL 168 Ca 0.77 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1cee h VAL 168 Cb 2.90 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 35.01 1cee h VAL 168 CO -0.11 0.37 -0.03 -0.26 0.02 0.00 0.00 177.57 177.57 1cee h PHE 169 N -0.48 0.00 0.00 1.57 -1.00 -0.20 0.13 116.94 116.96 1cee h PHE 169 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1cee h PHE 169 Cb 0.63 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1cee h PHE 169 CO 0.13 0.03 -0.18 -0.44 -1.61 0.00 0.00 178.31 176.23 1cee h ASP 170 N 0.00 0.00 0.56 2.17 5.19 -1.08 -1.87 116.42 121.40 1cee h ASP 170 Ca -0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1cee h ASP 170 Cb 0.05 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1cee h ASP 170 CO 0.00 0.18 -1.36 -0.08 -3.12 0.00 0.00 179.24 174.87 1cee h GLU 171 N 0.00 0.26 0.14 3.56 4.57 -0.72 -3.06 114.58 119.33 1cee h GLU 171 Ca -0.00 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 1cee h GLU 171 Cb 0.33 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1cee h GLU 171 CO 0.02 1.17 -0.07 0.00 -1.18 0.00 0.00 179.01 178.96 1cee h ALA 172 N 0.55 -1.04 -0.51 2.92 0.00 -0.62 -1.82 119.26 118.74 1cee h ALA 172 Ca -0.18 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.79 1cee h ALA 172 Cb 1.99 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.76 1cee h ALA 172 CO 0.19 -1.03 -0.31 0.82 0.00 0.00 0.00 179.25 178.92 1cee h ILE 173 N -0.18 0.22 -1.26 0.00 2.04 -1.54 0.86 117.51 117.65 1cee h ILE 173 Ca -0.02 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.21 1cee h ILE 173 Cb 0.14 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 1cee h ILE 173 CO 0.03 0.00 0.95 0.25 0.00 0.00 0.00 178.15 179.38 1cee h LEU 174 N -0.18 0.00 0.01 1.44 5.85 -1.54 0.15 115.31 121.04 1cee h LEU 174 Ca 0.21 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.76 1cee h LEU 174 Cb 0.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1cee h LEU 174 CO -0.61 0.00 -0.96 0.00 -0.34 0.00 0.00 178.44 176.53 1cee h ALA 175 N 1.29 0.20 -0.99 1.25 0.00 0.14 -3.36 119.26 117.79 1cee h ALA 175 Ca 0.60 -1.03 0.21 0.00 0.00 0.00 0.00 54.91 54.68 1cee h ALA 175 Cb 2.49 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 20.73 1cee h ALA 175 CO -0.01 0.54 0.62 0.00 0.00 0.00 0.00 179.25 180.40 1cee h ALA 176 N -0.35 1.91 -3.30 0.00 0.00 0.16 -3.42 119.26 114.27 1cee h ALA 176 Ca -0.26 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1cee h ALA 176 Cb 1.26 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 19.05 1cee h ALA 176 CO -0.14 -0.27 0.12 1.28 0.00 0.00 0.00 179.25 180.23 1cee n LEU 177 N -4.68 0.00 -3.53 0.00 4.77 0.32 -4.74 117.00 109.14 1cee n LEU 177 Ca 0.23 -0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 55.68 1cee n LEU 177 Cb 0.66 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1cee n LEU 177 CO 0.24 -0.78 0.68 -1.83 -1.33 0.00 0.00 177.39 174.37 1cee s GLU 178 N -3.83 0.88 0.00 3.23 -1.05 -1.26 -4.97 118.70 111.70 1cee s GLU 178 Ca 0.22 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 1cee s GLU 178 Cb -0.01 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1cee s GLU 178 CO 0.16 -0.39 0.08 -0.35 0.95 0.00 0.00 175.26 175.70