#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 4.49 -0.01 3.17 -1.52 -1.26 -5.03 119.66 119.50 1cee s GLN 2 Ca 0.00 1.07 -0.01 0.00 -1.95 0.00 0.00 55.36 54.47 1cee s GLN 2 Cb 0.00 -3.42 0.01 0.00 -0.22 0.00 0.00 33.01 29.38 1cee s GLN 2 CO 0.00 0.12 0.02 0.99 -0.25 0.00 0.00 175.29 176.17 1cee s THR 3 N 0.53 -0.01 -0.15 -0.19 2.01 -1.26 -2.40 115.64 114.17 1cee s THR 3 Ca 0.41 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 1cee s THR 3 Cb -0.19 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1cee s THR 3 CO 0.22 0.02 0.36 -0.63 -0.69 0.00 0.00 174.62 173.90 1cee s ILE 4 N 0.22 5.26 -1.03 1.82 1.09 -1.23 -4.83 121.20 122.51 1cee s ILE 4 Ca -0.02 0.69 -0.18 0.00 -1.10 0.00 0.00 60.65 60.04 1cee s ILE 4 Cb -0.03 -3.70 0.13 0.00 -1.06 0.00 0.00 42.46 37.80 1cee s ILE 4 CO -0.01 0.35 1.27 -0.75 -0.10 0.00 0.00 174.94 175.71 1cee s LYS 5 N 0.62 3.73 -0.39 2.79 2.47 -1.26 0.81 119.74 128.51 1cee s LYS 5 Ca 0.20 -1.88 -0.22 0.00 -1.56 0.00 0.00 55.97 52.50 1cee s LYS 5 Cb -0.14 -5.04 0.01 0.00 -1.46 0.00 0.00 37.83 31.20 1cee s LYS 5 CO 0.06 -1.85 0.73 0.00 0.16 0.00 0.00 175.35 174.45 1cee s VAL 7 N 3.02 3.38 -0.44 0.00 1.01 -1.25 -1.06 120.40 125.06 1cee s VAL 7 Ca 0.28 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1cee s VAL 7 Cb -0.13 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1cee s VAL 7 CO 0.18 0.47 0.86 -0.69 0.00 0.00 0.00 175.10 175.92 1cee s VAL 8 N 0.84 4.58 0.07 2.92 1.01 -0.87 -0.67 120.40 128.28 1cee s VAL 8 Ca -0.02 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.71 1cee s VAL 8 Cb -0.15 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1cee s VAL 8 CO 0.01 -0.71 -0.07 0.68 0.00 0.00 0.00 175.10 175.01 1cee s VAL 9 N 3.48 3.57 0.00 2.92 -7.23 0.21 -3.92 120.40 119.44 1cee s VAL 9 Ca 0.34 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1cee s VAL 9 Cb -0.11 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.19 1cee s VAL 9 CO 0.23 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 1cee n GLY 10 N 0.96 3.84 3.70 2.32 0.00 -1.26 -3.13 105.19 111.62 1cee n GLY 10 Ca -0.14 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1cee n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cee s ASP 11 N 0.00 6.78 0.00 1.61 2.15 -1.26 -4.85 116.67 121.10 1cee s ASP 11 Ca 0.00 0.94 0.00 0.00 0.43 0.00 0.00 52.55 53.92 1cee s ASP 11 Cb 0.00 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1cee s ASP 11 CO 0.00 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 1cee n GLY 12 N 3.36 -2.86 3.78 2.66 0.00 -1.26 -4.93 105.19 105.94 1cee n GLY 12 Ca -0.04 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.04 3.07 -0.03 4.61 0.00 -1.26 -4.81 121.76 122.29 1cee s ALA 13 Ca 0.00 0.70 0.15 0.00 0.00 0.00 0.00 51.96 52.81 1cee s ALA 13 Cb 0.00 -3.27 0.27 0.00 0.00 0.00 0.00 23.12 20.12 1cee s ALA 13 CO 0.00 -0.23 1.12 1.33 0.00 0.00 0.00 175.76 177.98 1cee n VAL 14 N -0.15 0.08 -2.02 0.00 0.24 -1.26 -4.99 118.33 110.22 1cee n VAL 14 Ca 0.05 -0.74 -0.02 0.00 -2.04 0.00 0.00 64.34 61.58 1cee n VAL 14 Cb 0.50 0.83 0.01 0.00 -1.47 0.00 0.00 33.84 33.71 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 0.14 -0.15 0.00 7.63 0.00 -1.26 -4.93 105.19 106.63 1cee n GLY 15 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1cee n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cee n LYS 16 N -1.66 0.00 0.14 1.61 5.02 -1.26 -3.12 118.16 118.89 1cee n LYS 16 Ca -0.01 0.29 0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1cee n LYS 16 Cb 0.52 -1.09 0.52 0.00 -0.02 0.00 0.00 35.03 34.96 1cee n LYS 16 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1cee h THR 17 N 0.00 0.00 0.09 -0.18 2.02 -1.98 -2.65 112.91 110.22 1cee h THR 17 Ca 0.00 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1cee h THR 17 Cb 0.00 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1cee h THR 17 CO 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 1cee h LEU 19 N -0.32 0.54 -0.65 0.00 6.46 -1.65 -0.84 115.31 118.84 1cee h LEU 19 Ca -0.01 -0.39 0.12 0.00 -0.12 0.00 0.00 57.88 57.48 1cee h LEU 19 Cb 0.09 -0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 39.77 1cee h LEU 19 CO 0.02 1.16 0.20 -0.07 -0.62 0.00 0.00 178.44 179.12 1cee h LEU 20 N 0.28 0.12 0.04 2.25 3.38 -1.65 1.22 115.31 120.94 1cee h LEU 20 Ca -0.05 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1cee h LEU 20 Cb 1.43 0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.31 1cee h LEU 20 CO 0.14 0.06 -0.39 0.40 0.09 0.00 0.00 178.44 178.74 1cee h ILE 21 N 0.34 1.57 -0.06 1.22 1.08 -1.54 -3.12 117.51 117.00 1cee h ILE 21 Ca 0.34 -2.19 0.02 0.00 -0.39 0.00 0.00 64.86 62.64 1cee h ILE 21 Cb 0.50 2.97 -0.00 0.00 -3.07 0.00 0.00 36.82 37.22 1cee h ILE 21 CO -0.39 0.60 0.08 0.28 -0.69 0.00 0.00 178.15 178.03 1cee h SER 22 N -0.51 0.00 1.44 1.72 0.02 -0.65 1.28 113.55 116.85 1cee h SER 22 Ca -0.06 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1cee h SER 22 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 1cee h SER 22 CO 0.08 0.00 -0.51 0.22 -1.14 0.00 0.00 176.83 175.48 1cee h TYR 23 N 0.00 0.00 0.00 3.45 3.20 0.15 0.43 116.97 124.20 1cee h TYR 23 Ca 0.03 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.60 1cee h TYR 23 Cb 0.18 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1cee h TYR 23 CO 0.00 0.51 -2.10 0.25 -1.64 0.00 0.00 178.16 175.18 1cee n THR 24 N -3.25 1.10 -0.03 1.81 -2.24 0.22 -4.62 114.28 107.28 1cee n THR 24 Ca 0.02 -0.65 0.04 0.00 -2.27 0.00 0.00 64.05 61.19 1cee n THR 24 Cb 0.73 -0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.65 0.28 -1.37 4.28 -2.24 0.42 -4.99 114.28 108.01 1cee n THR 25 Ca -0.27 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 1cee n THR 25 Cb 1.00 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.22 -4.56 -3.75 3.42 2.85 0.14 -4.98 115.26 106.15 1cee n ASN 26 Ca -0.09 0.31 -0.25 0.00 -0.11 0.00 0.00 54.58 54.44 1cee n ASN 26 Cb 0.59 -3.18 -0.17 0.00 1.24 0.00 0.00 39.78 38.26 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 -3.05 0.63 -0.25 1.20 2.36 -1.26 -5.01 119.74 114.36 1cee s LYS 27 Ca 0.00 -0.13 -0.30 0.00 -2.55 0.00 0.00 55.97 52.99 1cee s LYS 27 Cb 0.00 -1.51 -0.07 0.00 -1.05 0.00 0.00 37.83 35.20 1cee s LYS 27 CO 0.00 -0.46 2.21 0.34 1.55 0.00 0.00 175.35 178.99 1cee n PHE 28 N 5.11 1.88 -1.21 4.03 -0.00 -1.26 -4.42 117.46 121.58 1cee n PHE 28 Ca -0.08 -0.03 -0.29 0.00 -0.00 0.00 0.00 57.45 57.05 1cee n PHE 28 Cb 0.49 -2.68 0.15 0.00 -0.00 0.00 0.00 39.48 37.44 1cee n PHE 28 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1cee s PRO 29 N 6.29 0.91 -0.02 -7.13 0.04 -1.26 -5.01 135.00 128.82 1cee s PRO 29 Ca 1.03 0.67 0.04 0.00 0.04 0.00 0.00 61.00 62.78 1cee s PRO 29 Cb -0.47 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1cee s PRO 29 CO 0.39 -2.44 0.06 0.45 0.04 0.00 0.00 177.00 175.49 1cee n SER 30 N -4.00 4.09 -4.46 6.66 2.88 -1.26 -5.05 113.62 112.48 1cee n SER 30 Ca 0.06 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.27 1cee n SER 30 Cb 0.56 0.96 0.12 0.00 -0.75 0.00 0.00 64.21 65.10 1cee n SER 30 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cee n GLU 31 N -1.83 -0.21 -3.67 -1.46 2.13 -1.26 -5.03 120.64 109.31 1cee n GLU 31 Ca -0.03 -0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.70 1cee n GLU 31 Cb 0.30 -1.93 -0.09 0.00 0.27 0.00 0.00 31.44 29.99 1cee n GLU 31 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1cee s TYR 32 N -2.35 -0.87 -0.29 4.31 -0.85 -1.26 -5.08 117.35 110.97 1cee s TYR 32 Ca 0.60 1.72 -0.24 0.00 -0.52 0.00 0.00 57.07 58.62 1cee s TYR 32 Cb -0.23 0.45 0.14 0.00 0.38 0.00 0.00 41.96 42.70 1cee s TYR 32 CO 0.65 -0.46 1.11 0.54 -1.52 0.00 0.00 175.55 175.86 1cee s VAL 33 N 1.83 0.00 -0.73 -3.49 0.11 -1.26 -5.10 120.40 111.76 1cee s VAL 33 Ca -0.08 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 1cee s VAL 33 Cb -0.08 -1.00 -0.15 0.00 -1.53 0.00 0.00 36.38 33.62 1cee s VAL 33 CO -0.16 0.00 2.53 -2.65 -3.33 0.00 0.00 175.10 171.49 1cee n PRO 34 N 2.29 0.52 -3.29 1.54 -0.02 -1.26 -4.90 135.00 129.88 1cee n PRO 34 Ca -0.13 0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 60.97 1cee n PRO 34 Cb 0.56 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.58 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 10.13 5.08 -0.11 3.45 2.01 -1.26 -4.95 115.64 130.00 1cee s THR 35 Ca 1.18 0.49 -0.12 0.00 0.31 0.00 0.00 61.69 63.55 1cee s THR 35 Cb -0.79 -3.85 -0.26 0.00 0.01 0.00 0.00 72.50 67.61 1cee s THR 35 CO 0.40 -0.04 0.45 -0.37 -0.69 0.00 0.00 174.62 174.37 1cee h VAL 36 N 5.50 0.84 -1.65 3.82 -1.51 -1.95 -3.47 116.25 117.82 1cee h VAL 36 Ca -0.29 -2.36 0.05 0.00 -1.23 0.00 0.00 66.70 62.86 1cee h VAL 36 Cb 1.14 2.58 -0.25 0.00 -2.13 0.00 0.00 31.29 32.63 1cee h VAL 36 CO 0.72 0.76 0.43 0.12 -1.23 0.00 0.00 177.57 178.36 1cee s PHE 37 N -2.51 -0.50 -0.21 5.19 2.19 -1.26 -3.42 117.98 117.46 1cee s PHE 37 Ca -0.21 1.14 -0.12 0.00 0.33 0.00 0.00 56.93 58.06 1cee s PHE 37 Cb 0.06 0.37 0.07 0.00 -1.31 0.00 0.00 43.02 42.20 1cee s PHE 37 CO 0.76 -0.28 0.52 -0.51 1.83 0.00 0.00 175.22 177.53 1cee s ASP 38 N -0.08 -0.68 -0.24 6.13 1.11 -1.26 -5.05 116.67 116.61 1cee s ASP 38 Ca 0.01 1.13 -0.06 0.00 0.18 0.00 0.00 52.55 53.82 1cee s ASP 38 Cb -0.04 1.02 -0.01 0.00 1.07 0.00 0.00 42.92 44.95 1cee s ASP 38 CO -0.03 -0.21 0.02 0.21 1.18 0.00 0.00 175.17 176.34 1cee s ASN 39 N 1.43 4.77 0.30 0.27 3.04 -1.26 -3.36 114.94 120.13 1cee s ASN 39 Ca -0.09 -0.38 0.10 0.00 0.04 0.00 0.00 52.86 52.52 1cee s ASN 39 Cb -0.07 -1.83 -0.05 0.00 -1.54 0.00 0.00 41.25 37.76 1cee s ASN 39 CO -0.15 -0.06 -0.04 -0.31 -3.04 0.00 0.00 177.10 173.51 1cee s TYR 40 N 1.53 2.55 -0.10 0.43 1.51 -0.87 -5.00 117.35 117.41 1cee s TYR 40 Ca 0.05 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1cee s TYR 40 Cb -0.15 -1.26 0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1cee s TYR 40 CO 0.00 0.58 -0.03 0.00 -1.11 0.00 0.00 175.55 174.99 1cee s ALA 41 N -2.44 1.01 0.02 3.71 0.00 -1.26 -1.11 121.76 121.69 1cee s ALA 41 Ca 0.32 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 1cee s ALA 41 Cb -0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1cee s ALA 41 CO 0.19 -0.46 0.13 0.08 0.00 0.00 0.00 175.76 175.69 1cee s VAL 42 N 1.84 4.99 -0.23 0.00 1.01 0.58 -4.92 120.40 123.67 1cee s VAL 42 Ca 0.05 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1cee s VAL 42 Cb -0.13 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1cee s VAL 42 CO -0.07 0.28 -0.01 -0.89 0.00 0.00 0.00 175.10 174.41 1cee s THR 43 N -1.30 3.63 0.10 3.92 2.01 -1.26 0.16 115.64 122.90 1cee s THR 43 Ca 0.27 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.88 1cee s THR 43 Cb -0.12 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1cee s THR 43 CO 0.18 0.39 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.72 1cee s VAL 44 N 1.51 0.89 -0.96 3.82 1.01 -1.05 -4.93 120.40 120.69 1cee s VAL 44 Ca 0.06 -1.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.13 1cee s VAL 44 Cb -0.15 -1.47 0.16 0.00 0.00 0.00 0.00 36.38 34.93 1cee s VAL 44 CO -0.01 -0.66 1.10 -0.04 0.00 0.00 0.00 175.10 175.50 1cee s MET 45 N -3.12 3.70 -0.21 2.72 -1.94 -1.26 0.16 119.30 119.34 1cee s MET 45 Ca 0.08 -2.07 -0.08 0.00 -1.71 0.00 0.00 55.69 51.91 1cee s MET 45 Cb -0.00 -4.83 -0.04 0.00 2.01 0.00 0.00 34.83 31.96 1cee s MET 45 CO -0.01 -1.66 0.07 0.42 -0.01 0.00 0.00 175.02 173.83 1cee s ILE 46 N 1.89 4.66 -1.03 2.53 1.01 0.11 -4.49 121.20 125.89 1cee s ILE 46 Ca 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 1cee s ILE 46 Cb -0.06 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1cee s ILE 46 CO -0.08 0.40 0.88 0.61 0.00 0.00 0.00 174.94 176.75 1cee n GLY 47 N 4.13 -0.23 2.41 6.18 0.00 -1.26 -2.41 105.19 114.01 1cee n GLY 47 Ca -0.16 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.39 -0.49 3.38 -0.02 0.00 -1.26 -4.96 105.19 100.45 1cee n GLY 48 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.04 0.66 -0.08 1.61 2.02 -1.01 -5.14 118.70 111.73 1cee s GLU 49 Ca 0.00 0.46 -0.30 0.00 0.02 0.00 0.00 54.97 55.15 1cee s GLU 49 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 1cee s GLU 49 CO 0.00 -0.13 1.41 -1.25 0.02 0.00 0.00 175.26 175.31 1cee s PRO 50 N -0.25 4.24 0.39 0.39 0.04 -1.26 0.05 135.00 138.60 1cee s PRO 50 Ca -0.04 1.90 0.03 0.00 0.04 0.00 0.00 61.00 62.93 1cee s PRO 50 Cb -0.03 -3.76 0.03 0.00 0.04 0.00 0.00 34.50 30.78 1cee s PRO 50 CO 0.03 -0.69 0.26 0.66 0.04 0.00 0.00 177.00 177.29 1cee n TYR 51 N 6.30 -0.62 -3.50 0.56 4.02 0.42 -4.90 117.16 119.43 1cee n TYR 51 Ca 0.14 -1.70 -0.28 0.00 -0.01 0.00 0.00 57.90 56.05 1cee n TYR 51 Cb 0.44 -0.31 -0.11 0.00 -0.02 0.00 0.00 39.34 39.33 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 -2.02 0.55 0.13 -0.72 2.01 -1.01 -2.53 115.64 112.06 1cee s THR 52 Ca 0.20 -2.29 -0.31 0.00 0.31 0.00 0.00 61.69 59.59 1cee s THR 52 Cb -0.02 -1.39 -0.10 0.00 0.01 0.00 0.00 72.50 71.00 1cee s THR 52 CO 0.12 -1.06 1.81 -0.22 -0.69 0.00 0.00 174.62 174.58 1cee s LEU 53 N 0.49 4.39 -0.34 4.42 2.96 0.42 -3.54 118.68 127.48 1cee s LEU 53 Ca 0.23 2.76 -0.18 0.00 -0.22 0.00 0.00 54.13 56.72 1cee s LEU 53 Cb -0.13 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1cee s LEU 53 CO -0.07 -0.99 0.52 -0.83 -1.32 0.00 0.00 176.35 173.66 1cee s GLY 54 N 2.48 1.82 -0.15 7.98 0.00 0.24 -0.31 107.32 119.37 1cee s GLY 54 Ca 0.80 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 44.51 1cee s GLY 54 CO 0.36 1.28 0.09 1.08 0.00 0.00 0.00 173.10 175.91 1cee s LEU 55 N 2.40 4.06 -0.04 0.66 1.43 -0.27 -0.26 118.68 126.66 1cee s LEU 55 Ca 0.19 0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1cee s LEU 55 Cb -0.15 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.09 1cee s LEU 55 CO 0.13 0.28 0.07 -0.36 0.23 0.00 0.00 176.35 176.70 1cee s PHE 56 N -0.25 -0.04 -0.21 0.29 0.40 -0.23 -2.06 117.98 115.89 1cee s PHE 56 Ca 0.09 0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 56.66 1cee s PHE 56 Cb -0.12 -0.20 -0.00 0.00 0.51 0.00 0.00 43.02 43.21 1cee s PHE 56 CO 0.01 -0.13 -0.07 0.16 0.70 0.00 0.00 175.22 175.90 1cee s ASP 57 N 1.20 4.11 0.25 1.36 1.47 -1.21 -2.05 116.67 121.79 1cee s ASP 57 Ca -0.08 -0.44 -0.07 0.00 1.18 0.00 0.00 52.55 53.14 1cee s ASP 57 Cb -0.12 -1.70 -0.06 0.00 -0.34 0.00 0.00 42.92 40.70 1cee s ASP 57 CO -0.04 -0.02 0.53 0.42 0.68 0.00 0.00 175.17 176.74 1cee s THR 58 N 1.45 5.01 0.44 2.11 -4.23 -1.25 -4.01 115.64 115.15 1cee s THR 58 Ca 0.06 0.20 -0.23 0.00 -1.18 0.00 0.00 61.69 60.54 1cee s THR 58 Cb -0.14 -3.68 -0.08 0.00 1.34 0.00 0.00 72.50 69.94 1cee s THR 58 CO -0.05 -0.18 1.13 0.00 -0.54 0.00 0.00 174.62 174.98 1cee s ALA 59 N -1.93 3.01 -0.84 3.99 0.00 -1.22 -4.97 121.76 119.79 1cee s ALA 59 Ca 0.45 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1cee s ALA 59 Cb -0.11 -3.35 0.34 0.00 0.00 0.00 0.00 23.12 20.00 1cee s ALA 59 CO 0.26 -0.53 1.60 0.41 0.00 0.00 0.00 175.76 177.50 1cee n GLY 60 N 0.41 5.90 3.21 0.00 0.00 -1.26 -4.97 105.19 108.48 1cee n GLY 60 Ca 0.07 -2.63 -0.09 0.00 0.00 0.00 0.00 46.02 43.37 1cee n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cee s GLN 61 N -4.02 0.87 0.07 1.61 -1.52 -1.26 -4.40 119.66 111.01 1cee s GLN 61 Ca 0.45 -1.03 -0.08 0.00 -1.95 0.00 0.00 55.36 52.75 1cee s GLN 61 Cb 0.28 0.33 -0.28 0.00 -0.22 0.00 0.00 33.01 33.12 1cee s GLN 61 CO -0.19 -0.28 1.12 1.49 -0.25 0.00 0.00 175.29 177.18 1cee h GLU 62 N 2.75 0.37 0.00 2.91 4.81 -2.01 -3.25 114.58 120.17 1cee h GLU 62 Ca -0.34 -0.60 -0.02 0.00 -0.13 0.00 0.00 59.36 58.27 1cee h GLU 62 Cb 1.20 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 1cee h GLU 62 CO 0.56 1.27 -0.10 0.22 -0.73 0.00 0.00 179.01 180.23 1cee h ASP 63 N 0.12 0.00 -0.60 1.04 3.58 -2.01 -1.72 116.42 116.83 1cee h ASP 63 Ca -0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1cee h ASP 63 Cb 1.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.03 1cee h ASP 63 CO 0.22 0.10 0.00 -1.22 -2.88 0.00 0.00 179.24 175.46 1cee n TYR 64 N -3.63 1.75 0.32 0.28 4.02 -1.23 -4.39 117.16 114.28 1cee n TYR 64 Ca -0.02 -0.68 0.12 0.00 -0.01 0.00 0.00 57.90 57.32 1cee n TYR 64 Cb 0.22 -0.37 0.55 0.00 -0.02 0.00 0.00 39.34 39.72 1cee n TYR 64 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1cee h ASP 65 N 3.96 0.00 0.53 7.72 3.32 -1.34 -2.53 116.42 128.07 1cee h ASP 65 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1cee h ASP 65 Cb 1.70 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.26 1cee h ASP 65 CO 0.35 0.00 -0.26 0.03 -1.72 0.00 0.00 179.24 177.65 1cee h ARG 66 N 0.00 -0.69 -0.60 3.56 2.47 -1.81 -3.24 114.38 114.06 1cee h ARG 66 Ca 0.00 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1cee h ARG 66 Cb 0.26 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1cee h ARG 66 CO 0.00 -0.46 0.00 1.47 0.56 0.00 0.00 179.97 181.54 1cee n LEU 67 N -4.85 2.68 0.08 3.04 -0.00 -1.21 -4.29 117.00 112.46 1cee n LEU 67 Ca -0.09 -1.35 -0.11 0.00 -0.00 0.00 0.00 56.01 54.46 1cee n LEU 67 Cb 0.28 -0.44 -0.07 0.00 -0.00 0.00 0.00 43.42 43.19 1cee n LEU 67 CO 0.21 0.45 0.39 -0.09 -0.00 0.00 0.00 177.39 178.35 1cee h ARG 68 N 2.00 -0.28 0.00 1.47 2.43 -1.48 -3.24 114.38 115.29 1cee h ARG 68 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1cee h ARG 68 Cb 0.89 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1cee h ARG 68 CO 0.13 0.10 0.00 -0.35 -1.51 0.00 0.00 179.97 178.34 1cee n PRO 69 N -4.98 0.07 0.02 0.20 -0.04 -1.26 -3.14 135.00 125.87 1cee n PRO 69 Ca -0.08 0.27 0.23 0.00 -0.04 0.00 0.00 63.50 63.88 1cee n PRO 69 Cb 0.26 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 32.90 1cee n PRO 69 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1cee h LEU 70 N 0.00 0.00 -2.92 1.53 4.07 -1.82 1.27 115.31 117.44 1cee h LEU 70 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cee h LEU 70 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1cee h LEU 70 CO 0.00 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 1cee n SER 71 N -3.60 4.50 -0.05 -0.43 7.64 -1.19 -4.35 113.62 116.15 1cee n SER 71 Ca 0.11 -2.47 -0.22 0.00 1.01 0.00 0.00 58.87 57.31 1cee n SER 71 Cb 0.84 -0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.95 1.02 -1.72 1.43 4.01 0.44 -4.78 117.16 118.50 1cee n TYR 72 Ca 0.24 0.30 -0.60 0.00 -0.16 0.00 0.00 57.90 57.67 1cee n TYR 72 Cb 0.86 -1.12 -0.08 0.00 -0.31 0.00 0.00 39.34 38.69 1cee n TYR 72 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1cee n PRO 73 N -3.88 0.83 -3.16 -0.72 -0.02 -1.25 -1.62 135.00 125.18 1cee n PRO 73 Ca -0.34 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.30 1cee n PRO 73 Cb 0.90 -1.94 0.07 0.00 -0.02 0.00 0.00 33.50 32.51 1cee n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1cee n GLN 74 N 5.00 -4.98 -3.03 -0.52 1.13 -1.26 -4.98 117.38 108.74 1cee n GLN 74 Ca 0.28 0.71 -0.40 0.00 -1.94 0.00 0.00 57.00 55.65 1cee n GLN 74 Cb 0.08 -5.29 -0.05 0.00 0.11 0.00 0.00 30.24 25.09 1cee n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1cee s THR 75 N -3.31 5.00 -0.09 5.09 2.01 -0.64 -4.71 115.64 119.00 1cee s THR 75 Ca 0.06 1.43 0.15 0.00 0.31 0.00 0.00 61.69 63.64 1cee s THR 75 Cb -0.01 -4.04 -0.15 0.00 0.01 0.00 0.00 72.50 68.32 1cee s THR 75 CO 0.61 0.17 0.88 0.44 -0.69 0.00 0.00 174.62 176.03 1cee h ASP 76 N 7.05 0.00 -5.10 3.53 5.19 -1.87 -3.48 116.42 121.74 1cee h ASP 76 Ca -0.36 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 1cee h ASP 76 Cb 1.17 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 1cee h ASP 76 CO 0.78 0.71 0.13 0.54 -3.12 0.00 0.00 179.24 178.28 1cee s VAL 77 N -2.83 0.00 -0.09 -1.35 0.11 -1.22 -4.13 120.40 110.90 1cee s VAL 77 Ca -0.02 -1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 57.86 1cee s VAL 77 Cb 0.08 -2.41 0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1cee s VAL 77 CO 0.81 0.00 0.02 -0.36 -3.33 0.00 0.00 175.10 172.24 1cee s PHE 78 N -3.30 0.54 -0.49 1.54 0.08 -1.14 -3.77 117.98 111.44 1cee s PHE 78 Ca 0.17 -0.16 -0.23 0.00 0.12 0.00 0.00 56.93 56.83 1cee s PHE 78 Cb -0.04 -0.75 0.04 0.00 -0.57 0.00 0.00 43.02 41.70 1cee s PHE 78 CO 0.10 -0.34 0.80 -0.51 -0.10 0.00 0.00 175.22 175.17 1cee s LEU 79 N 2.02 4.33 -0.96 -0.37 1.02 0.15 -1.06 118.68 123.81 1cee s LEU 79 Ca 0.04 -0.33 -0.12 0.00 0.02 0.00 0.00 54.13 53.75 1cee s LEU 79 Cb -0.13 -2.83 0.24 0.00 0.02 0.00 0.00 46.19 43.50 1cee s LEU 79 CO -0.05 -1.01 0.92 -0.69 0.02 0.00 0.00 176.35 175.55 1cee s VAL 80 N 3.38 5.78 -0.43 -1.59 1.01 -0.84 0.68 120.40 128.38 1cee s VAL 80 Ca 0.27 -2.88 -0.28 0.00 0.00 0.00 0.00 61.98 59.09 1cee s VAL 80 Cb -0.13 -4.53 0.02 0.00 0.00 0.00 0.00 36.38 31.74 1cee s VAL 80 CO 0.20 -1.10 1.07 0.00 0.00 0.00 0.00 175.10 175.26 1cee s PHE 82 N 4.07 2.25 0.06 0.00 -0.71 -0.82 -4.83 117.98 118.00 1cee s PHE 82 Ca 0.45 -0.38 -0.31 0.00 -1.04 0.00 0.00 56.93 55.65 1cee s PHE 82 Cb -0.09 -1.20 -0.06 0.00 -1.21 0.00 0.00 43.02 40.46 1cee s PHE 82 CO 0.26 0.34 1.26 -1.12 -1.34 0.00 0.00 175.22 174.63 1cee s SER 83 N -2.12 6.99 0.23 1.98 0.01 -1.26 -1.01 113.70 118.52 1cee s SER 83 Ca 0.14 2.08 0.11 0.00 1.31 0.00 0.00 55.95 59.59 1cee s SER 83 Cb -0.10 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.68 1cee s SER 83 CO 0.06 -0.55 1.47 0.58 0.41 0.00 0.00 173.24 175.21 1cee h VAL 84 N 4.54 1.37 -0.44 3.43 2.07 -0.54 -3.13 116.25 123.55 1cee h VAL 84 Ca -0.41 -2.58 -0.09 0.00 0.82 0.00 0.00 66.70 64.45 1cee h VAL 84 Cb 1.20 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 33.37 1cee h VAL 84 CO 0.84 0.70 0.11 1.33 0.02 0.00 0.00 177.57 180.57 1cee n VAL 85 N -3.48 1.94 -3.59 2.57 0.24 -1.26 0.57 118.33 115.32 1cee n VAL 85 Ca -0.00 -0.98 -0.25 0.00 -2.04 0.00 0.00 64.34 61.07 1cee n VAL 85 Cb 0.75 -0.44 -0.16 0.00 -1.47 0.00 0.00 33.84 32.52 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 -0.49 2.30 0.20 -1.34 0.15 -1.18 -4.42 113.70 108.92 1cee s SER 86 Ca 0.35 -0.61 0.07 0.00 0.70 0.00 0.00 55.95 56.46 1cee s SER 86 Cb 0.28 -0.16 0.09 0.00 -1.71 0.00 0.00 66.02 64.52 1cee s SER 86 CO 0.09 -0.35 1.45 1.55 1.20 0.00 0.00 173.24 177.18 1cee h PRO 87 N 8.40 0.05 -0.23 5.44 0.13 -1.84 -2.79 132.00 141.17 1cee h PRO 87 Ca -0.16 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.87 1cee h PRO 87 Cb 1.14 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1cee h PRO 87 CO 0.30 0.82 -0.07 1.03 -0.23 0.00 0.00 178.00 179.85 1cee h SER 88 N 0.03 0.34 0.06 1.44 0.87 -1.95 1.12 113.55 115.47 1cee h SER 88 Ca -0.02 -0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.30 1cee h SER 88 Cb 1.41 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 63.30 1cee h SER 88 CO 0.11 0.46 -0.73 0.28 -0.53 0.00 0.00 176.83 176.42 1cee h SER 89 N 0.35 0.53 -0.82 6.23 0.02 -1.90 -3.03 113.55 114.94 1cee h SER 89 Ca 0.07 -0.84 -0.02 0.00 -0.84 0.00 0.00 61.79 60.16 1cee h SER 89 Cb 0.35 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1cee h SER 89 CO 0.02 1.32 0.43 0.15 -1.14 0.00 0.00 176.83 177.60 1cee h PHE 90 N -0.19 1.15 -0.11 3.45 3.57 -1.18 1.04 116.94 124.68 1cee h PHE 90 Ca -0.11 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1cee h PHE 90 Cb 1.49 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1cee h PHE 90 CO 0.16 0.81 0.09 0.93 -2.23 0.00 0.00 178.31 178.08 1cee h GLU 91 N 1.15 0.00 0.13 1.11 4.39 0.12 0.28 114.58 121.76 1cee h GLU 91 Ca 0.29 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.63 1cee h GLU 91 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1cee h GLU 91 CO -0.04 0.00 -1.92 -0.91 -1.16 0.00 0.00 179.01 174.97 1cee h ASN 92 N 0.00 0.44 -0.31 1.42 2.35 -0.89 -3.12 115.58 115.46 1cee h ASN 92 Ca 0.05 -0.94 0.09 0.00 -0.55 0.00 0.00 56.30 54.95 1cee h ASN 92 Cb 0.24 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1cee h ASN 92 CO -0.00 1.84 0.24 0.58 -1.65 0.00 0.00 177.43 178.44 1cee h VAL 93 N 0.04 0.74 0.00 2.81 2.07 0.22 1.94 116.25 124.07 1cee h VAL 93 Ca -0.41 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.96 1cee h VAL 93 Cb 2.02 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1cee h VAL 93 CO 0.10 0.00 -0.87 0.07 0.02 0.00 0.00 177.57 176.89 1cee h LYS 94 N 0.00 0.00 -1.16 1.57 2.10 -0.61 -3.17 116.57 115.30 1cee h LYS 94 Ca 0.15 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.41 1cee h LYS 94 Cb 0.63 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.69 1cee h LYS 94 CO -0.00 0.58 -0.80 0.39 -2.00 0.00 0.00 179.45 177.62 1cee n GLU 95 N -3.18 0.67 0.00 0.07 1.02 0.16 -4.78 120.64 114.61 1cee n GLU 95 Ca -0.02 -2.52 0.00 0.00 -0.02 0.00 0.00 57.16 54.60 1cee n GLU 95 Cb 0.82 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 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 1.79 0.00 0.06 3.49 0.00 0.61 -4.60 118.16 119.50 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 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.46 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 0.77 5.64 4.06 -1.40 -3.15 115.95 122.16 1cee h TRP 97 Ca 0.00 -0.21 -0.04 0.00 2.06 0.00 0.00 58.89 60.71 1cee h TRP 97 Cb 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1cee h TRP 97 CO 0.00 1.22 -0.39 -0.39 -3.56 0.00 0.00 178.44 175.32 1cee h VAL 98 N 0.04 0.21 -0.09 1.49 -1.51 -1.75 -3.08 116.25 111.56 1cee h VAL 98 Ca -0.18 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.20 1cee h VAL 98 Cb 1.95 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 1cee h VAL 98 CO 0.15 0.00 -0.38 1.55 -1.23 0.00 0.00 177.57 177.66 1cee h PRO 99 N -1.06 0.20 -1.16 5.19 0.13 -1.91 -2.84 132.00 130.54 1cee h PRO 99 Ca -0.10 -0.08 0.33 0.00 -0.87 0.00 0.00 66.00 65.27 1cee h PRO 99 Cb 0.82 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.88 1cee h PRO 99 CO 0.16 0.55 0.81 1.05 -0.23 0.00 0.00 178.00 180.34 1cee h GLU 100 N 0.17 0.11 0.04 0.86 -0.00 -1.49 0.38 114.58 114.65 1cee h GLU 100 Ca 0.02 -0.01 -0.38 0.00 -0.00 0.00 0.00 59.36 59.00 1cee h GLU 100 Cb 0.75 -0.02 -0.05 0.00 -0.00 0.00 0.00 28.75 29.42 1cee h GLU 100 CO 0.06 0.07 -2.29 0.44 -0.00 0.00 0.00 179.01 177.29 1cee n ILE 101 N -4.32 1.58 0.27 -1.06 -5.35 -1.15 -4.26 119.36 105.07 1cee n ILE 101 Ca 0.26 -0.63 0.12 0.00 -0.27 0.00 0.00 62.75 62.22 1cee n ILE 101 Cb 1.17 -1.41 0.77 0.00 -1.74 0.00 0.00 39.64 38.43 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 0.74 0.00 7.28 1.35 -0.91 0.15 112.91 121.54 1cee h THR 102 Ca -0.52 -0.13 -0.07 0.00 -0.55 0.00 0.00 66.41 65.15 1cee h THR 102 Cb 1.98 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.46 1cee h THR 102 CO -0.02 0.03 -0.33 -0.74 -0.25 0.00 0.00 175.52 174.21 1cee h HIS 103 N 0.00 0.00 0.03 4.73 2.76 -0.49 -1.69 115.15 120.49 1cee h HIS 103 Ca -0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 1cee h HIS 103 Cb 0.07 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 1cee h HIS 103 CO 0.00 0.33 -1.99 0.72 -1.30 0.00 0.00 177.93 175.69 1cee n HIS 104 N -3.82 0.74 -3.22 5.26 -0.00 -0.17 -4.84 115.22 109.18 1cee n HIS 104 Ca -0.01 0.23 -0.01 0.00 -0.00 0.00 0.00 57.72 57.93 1cee n HIS 104 Cb 0.41 -1.12 -0.02 0.00 -0.00 0.00 0.00 29.99 29.26 1cee n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cee n PRO 106 N 4.60 0.88 -0.05 0.00 -0.04 -0.64 -3.15 135.00 136.59 1cee n PRO 106 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1cee n PRO 106 Cb 0.55 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.86 1.58 -1.94 0.54 0.00 -1.26 -5.01 118.16 111.21 1cee n LYS 107 Ca 0.15 -0.03 -0.37 0.00 -0.00 0.00 0.00 58.31 58.06 1cee n LYS 107 Cb 0.07 -1.33 0.04 0.00 -0.00 0.00 0.00 35.03 33.81 1cee n LYS 107 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1cee s THR 108 N -2.45 2.44 0.62 0.58 -4.23 -1.19 -4.98 115.64 106.43 1cee s THR 108 Ca -0.06 0.29 -0.18 0.00 -1.18 0.00 0.00 61.69 60.57 1cee s THR 108 Cb 0.05 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 1cee s THR 108 CO 0.54 -0.04 1.18 -2.16 -0.54 0.00 0.00 174.62 173.59 1cee s PRO 109 N -3.18 2.89 -0.27 3.99 0.04 -1.26 -4.98 135.00 132.23 1cee s PRO 109 Ca 0.76 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1cee s PRO 109 Cb -0.34 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.35 1cee s PRO 109 CO 0.38 -1.24 -0.00 -0.06 0.04 0.00 0.00 177.00 176.11 1cee s PHE 110 N -1.81 2.59 -0.23 0.56 0.08 -1.26 -2.87 117.98 115.04 1cee s PHE 110 Ca 0.74 -2.04 -0.28 0.00 0.12 0.00 0.00 56.93 55.47 1cee s PHE 110 Cb -0.27 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 1cee s PHE 110 CO 0.35 -0.84 0.98 -1.17 -0.10 0.00 0.00 175.22 174.44 1cee s LEU 111 N 1.32 4.10 -0.68 -0.37 1.98 -0.23 -1.47 118.68 123.32 1cee s LEU 111 Ca 0.01 1.28 -0.22 0.00 -2.89 0.00 0.00 54.13 52.30 1cee s LEU 111 Cb -0.19 -3.44 0.07 0.00 0.66 0.00 0.00 46.19 43.30 1cee s LEU 111 CO -0.10 -0.62 0.99 -0.22 -1.89 0.00 0.00 176.35 174.51 1cee s LEU 112 N 3.08 4.39 -0.27 -0.68 0.20 -0.82 -1.99 118.68 122.59 1cee s LEU 112 Ca 0.41 -1.05 -0.13 0.00 0.69 0.00 0.00 54.13 54.05 1cee s LEU 112 Cb -0.15 -2.42 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 1cee s LEU 112 CO 0.06 -1.43 0.30 -0.69 -0.29 0.00 0.00 176.35 174.31 1cee s VAL 113 N 4.03 5.23 -0.35 1.68 1.01 -1.06 0.17 120.40 131.11 1cee s VAL 113 Ca 0.23 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 1cee s VAL 113 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1cee s VAL 113 CO 0.09 0.20 0.20 -0.83 0.00 0.00 0.00 175.10 174.76 1cee s GLY 114 N 1.63 1.92 0.39 4.51 0.00 -0.61 -1.94 107.32 113.22 1cee s GLY 114 Ca 0.12 -1.51 0.08 0.00 0.00 0.00 0.00 44.72 43.41 1cee s GLY 114 CO 0.10 0.78 0.30 -1.59 0.00 0.00 0.00 173.10 172.68 1cee s THR 115 N 1.63 2.84 0.00 0.90 2.01 -0.18 -2.01 115.64 120.83 1cee s THR 115 Ca 0.04 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 60.59 1cee s THR 115 Cb -0.18 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1cee s THR 115 CO 0.08 -0.06 0.00 1.67 -0.69 0.00 0.00 174.62 175.62 1cee n GLN 116 N -1.41 0.00 0.05 4.92 -0.06 -1.26 0.13 117.38 119.75 1cee n GLN 116 Ca 0.01 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1cee n GLN 116 Cb 0.62 -2.23 -0.13 0.00 -4.06 0.00 0.00 30.24 24.44 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 1.47 -0.44 1.69 2.04 -1.85 -3.08 117.51 117.34 1cee h ILE 117 Ca 0.00 -3.18 0.13 0.00 1.00 0.00 0.00 64.86 62.80 1cee h ILE 117 Cb 0.87 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 39.71 1cee h ILE 117 CO 0.00 0.86 0.51 0.44 0.00 0.00 0.00 178.15 179.96 1cee h ASP 118 N 0.02 0.00 0.03 1.72 3.32 -1.93 0.92 116.42 120.49 1cee h ASP 118 Ca -0.10 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.57 1cee h ASP 118 Cb 1.87 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.35 1cee h ASP 118 CO 0.13 0.00 -2.38 0.18 -1.72 0.00 0.00 179.24 175.45 1cee n LEU 119 N -3.61 1.42 0.14 1.55 4.77 -1.24 -4.12 117.00 115.91 1cee n LEU 119 Ca 0.08 -0.03 0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1cee n LEU 119 Cb 0.69 -0.18 0.73 0.00 -2.33 0.00 0.00 43.42 42.33 1cee n LEU 119 CO 0.26 0.70 1.14 -0.09 -1.33 0.00 0.00 177.39 178.07 1cee h ARG 120 N 0.00 0.00 -0.57 3.23 2.43 -0.79 0.44 114.38 119.13 1cee h ARG 120 Ca -0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1cee h ARG 120 Cb 2.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 1cee h ARG 120 CO -0.02 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.04 1cee n ASP 121 N -4.19 3.22 -4.13 -3.80 5.68 -0.38 -4.75 116.55 108.21 1cee n ASP 121 Ca 0.04 -1.99 -0.38 0.00 -0.50 0.00 0.00 54.79 51.96 1cee n ASP 121 Cb 0.38 -0.38 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 1cee n ASP 121 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1cee s ASP 122 N -1.08 5.40 0.32 -1.12 1.11 0.16 -4.96 116.67 116.50 1cee s ASP 122 Ca 0.40 -2.65 0.10 0.00 0.18 0.00 0.00 52.55 50.58 1cee s ASP 122 Cb 0.21 -1.89 0.94 0.00 1.07 0.00 0.00 42.92 43.25 1cee s ASP 122 CO 0.28 -0.43 1.69 -0.65 1.18 0.00 0.00 175.17 177.24 1cee h PRO 123 N 7.34 0.41 -0.77 8.23 0.11 -1.85 0.21 132.00 145.68 1cee h PRO 123 Ca -0.04 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.23 1cee h PRO 123 Cb 0.98 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 1cee h PRO 123 CO 0.73 0.27 0.53 1.03 -0.21 0.00 0.00 178.00 180.34 1cee h SER 124 N 0.42 0.24 0.04 -2.05 0.87 -1.92 0.38 113.55 111.52 1cee h SER 124 Ca 0.67 0.02 -0.37 0.00 -1.23 0.00 0.00 61.79 60.87 1cee h SER 124 Cb 1.39 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.27 1cee h SER 124 CO -0.55 0.11 -2.17 0.35 -0.53 0.00 0.00 176.83 174.04 1cee n THR 125 N -4.43 1.59 -0.18 2.23 -2.24 0.56 -3.06 114.28 108.76 1cee n THR 125 Ca 0.15 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1cee n THR 125 Cb 0.67 -1.70 0.08 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.32 0.85 0.00 2.28 2.04 -0.67 -0.66 117.51 121.03 1cee h ILE 126 Ca -0.52 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 1cee h ILE 126 Cb 1.80 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1cee h ILE 126 CO -0.12 0.08 -0.53 -0.33 0.00 0.00 0.00 178.15 177.25 1cee h GLU 127 N 0.44 0.00 -0.22 2.37 5.08 -0.44 0.24 114.58 122.05 1cee h GLU 127 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1cee h GLU 127 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1cee h GLU 127 CO -0.24 0.53 0.10 -0.22 -1.00 0.00 0.00 179.01 178.18 1cee h LYS 128 N 0.00 0.32 0.00 2.33 3.64 -1.08 -3.22 116.57 118.57 1cee h LYS 128 Ca -0.01 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1cee h LYS 128 Cb 1.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1cee h LYS 128 CO 0.07 0.34 -1.67 1.47 -2.27 0.00 0.00 179.45 177.39 1cee n LEU 129 N -4.84 0.37 -0.22 5.20 -0.00 -0.70 -4.21 117.00 112.61 1cee n LEU 129 Ca -0.03 0.15 0.31 0.00 -0.00 0.00 0.00 56.01 56.43 1cee n LEU 129 Cb 0.10 0.04 0.62 0.00 -0.00 0.00 0.00 43.42 44.19 1cee n LEU 129 CO 0.35 0.02 1.28 0.00 -0.00 0.00 0.00 177.39 179.04 1cee h ALA 130 N 1.82 2.90 0.00 1.47 0.00 -0.38 0.30 119.26 125.37 1cee h ALA 130 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1cee h ALA 130 Cb 1.21 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1cee h ALA 130 CO 0.01 -1.52 -0.29 1.63 0.00 0.00 0.00 179.25 179.07 1cee n LYS 131 N -3.60 0.81 -0.03 0.00 4.01 -1.25 -4.75 118.16 113.35 1cee n LYS 131 Ca 0.22 -2.12 -0.04 0.00 -0.51 0.00 0.00 58.31 55.87 1cee n LYS 131 Cb 1.32 -1.08 -0.05 0.00 -0.51 0.00 0.00 35.03 34.71 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1cee n ASN 132 N -0.80 3.39 0.00 4.39 3.02 0.10 -5.01 115.26 120.36 1cee n ASN 132 Ca 0.11 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1cee n ASN 132 Cb 0.70 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 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 -2.38 0.00 -3.94 3.52 2.85 -1.04 -5.10 118.16 112.07 1cee n LYS 133 Ca -0.12 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.86 1cee n LYS 133 Cb 0.69 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.04 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 3.43 -0.02 -1.58 1.11 -1.09 -4.98 119.66 116.53 1cee s GLN 134 Ca 0.00 -0.53 -0.07 0.00 0.01 0.00 0.00 55.36 54.77 1cee s GLN 134 Cb 0.00 -2.99 0.01 0.00 -1.01 0.00 0.00 33.01 29.01 1cee s GLN 134 CO 0.00 0.56 0.16 0.15 0.01 0.00 0.00 175.29 176.17 1cee s LYS 135 N -2.89 0.40 0.48 2.91 3.01 -1.26 -2.89 119.74 119.50 1cee s LYS 135 Ca 0.35 -0.17 -0.19 0.00 -1.01 0.00 0.00 55.97 54.94 1cee s LYS 135 Cb -0.12 0.17 -0.09 0.00 -1.01 0.00 0.00 37.83 36.78 1cee s LYS 135 CO 0.28 -0.09 0.99 -1.25 0.51 0.00 0.00 175.35 175.80 1cee s PRO 136 N -0.88 3.96 -0.14 -1.68 0.04 -1.26 -3.88 135.00 131.15 1cee s PRO 136 Ca -0.10 1.14 -0.08 0.00 0.04 0.00 0.00 61.00 62.00 1cee s PRO 136 Cb -0.05 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1cee s PRO 136 CO 0.01 -0.27 0.14 0.42 0.04 0.00 0.00 177.00 177.34 1cee s ILE 137 N -2.29 5.48 0.36 0.56 -1.09 0.19 -4.97 121.20 119.44 1cee s ILE 137 Ca 0.62 0.21 -0.09 0.00 -2.23 0.00 0.00 60.65 59.16 1cee s ILE 137 Cb -0.12 -3.42 -0.06 0.00 -1.58 0.00 0.00 42.46 37.28 1cee s ILE 137 CO 0.22 0.57 0.69 0.42 -1.23 0.00 0.00 174.94 175.61 1cee s THR 138 N -0.62 4.85 0.45 2.92 -4.23 -1.26 -4.94 115.64 112.82 1cee s THR 138 Ca 0.13 0.47 0.15 0.00 -1.18 0.00 0.00 61.69 61.26 1cee s THR 138 Cb -0.12 -3.72 0.33 0.00 1.34 0.00 0.00 72.50 70.33 1cee s THR 138 CO 0.02 -0.42 2.00 -0.65 -0.54 0.00 0.00 174.62 175.04 1cee h PRO 139 N 1.52 0.32 -0.17 3.99 0.11 -1.99 -0.28 132.00 135.50 1cee h PRO 139 Ca -0.47 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1cee h PRO 139 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1cee h PRO 139 CO 0.65 0.21 -0.47 0.93 -0.21 0.00 0.00 178.00 179.11 1cee h GLU 140 N 0.33 0.43 0.39 1.05 5.08 -1.98 -0.79 114.58 119.09 1cee h GLU 140 Ca 0.24 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1cee h GLU 140 Cb 0.52 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1cee h GLU 140 CO -0.06 0.81 -0.19 1.15 -1.00 0.00 0.00 179.01 179.73 1cee h THR 141 N 0.34 0.58 0.16 1.13 2.02 -1.45 -1.85 112.91 113.85 1cee h THR 141 Ca 0.02 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1cee h THR 141 Cb 0.96 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1cee h THR 141 CO 0.08 0.08 -0.08 0.00 0.37 0.00 0.00 175.52 175.98 1cee h ALA 142 N -0.32 -0.21 -0.87 6.16 0.00 -1.46 -2.79 119.26 119.78 1cee h ALA 142 Ca -0.05 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 54.97 1cee h ALA 142 Cb 0.53 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 1cee h ALA 142 CO 0.09 -0.58 0.38 1.49 0.00 0.00 0.00 179.25 180.63 1cee h GLU 143 N -0.30 0.43 -0.61 0.00 4.81 -1.20 0.23 114.58 117.94 1cee h GLU 143 Ca -0.02 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1cee h GLU 143 Cb 0.23 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 1cee h GLU 143 CO 0.04 0.29 0.15 -0.22 -0.73 0.00 0.00 179.01 178.53 1cee h LYS 144 N 0.45 0.28 -0.39 1.92 3.64 -1.05 -0.12 116.57 121.29 1cee h LYS 144 Ca 0.52 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.85 1cee h LYS 144 Cb 0.92 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1cee h LYS 144 CO -0.48 0.19 0.13 -0.07 -2.27 0.00 0.00 179.45 176.94 1cee h LEU 145 N 0.29 0.57 -1.81 5.20 4.07 -0.54 0.67 115.31 123.75 1cee h LEU 145 Ca 0.32 -0.20 0.32 0.00 0.08 0.00 0.00 57.88 58.40 1cee h LEU 145 Cb 0.46 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 1cee h LEU 145 CO -0.38 0.62 0.80 0.00 -1.08 0.00 0.00 178.44 178.39 1cee h ALA 146 N 0.97 2.87 0.02 1.53 0.00 0.77 1.07 119.26 126.49 1cee h ALA 146 Ca 0.13 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.67 1cee h ALA 146 Cb 0.25 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1cee h ALA 146 CO -0.01 -1.23 -2.23 0.54 0.00 0.00 0.00 179.25 176.33 1cee n ARG 147 N -4.32 0.68 0.26 0.00 1.74 -0.66 0.15 116.66 114.51 1cee n ARG 147 Ca 0.26 0.13 0.15 0.00 -0.77 0.00 0.00 57.85 57.62 1cee n ARG 147 Cb 1.15 -1.60 0.60 0.00 -1.02 0.00 0.00 32.46 31.59 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 0.00 -0.21 0.55 3.58 0.29 -2.85 116.42 117.78 1cee h ASP 148 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1cee h ASP 148 Cb 2.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.13 1cee h ASP 148 CO 0.01 0.08 0.00 0.18 -2.88 0.00 0.00 179.24 176.63 1cee n LEU 149 N -3.21 3.54 -1.71 2.28 4.77 0.35 -4.95 117.00 118.07 1cee n LEU 149 Ca 0.00 -2.98 -0.20 0.00 -0.03 0.00 0.00 56.01 52.80 1cee n LEU 149 Cb 0.35 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1cee n LEU 149 CO 0.29 0.68 -0.21 0.29 -1.33 0.00 0.00 177.39 177.12 1cee n LYS 150 N -0.64 -1.46 -1.90 3.23 5.02 -1.08 -4.92 118.16 116.41 1cee n LYS 150 Ca 0.20 1.18 -0.41 0.00 -2.02 0.00 0.00 58.31 57.26 1cee n LYS 150 Cb 0.82 -5.60 -0.01 0.00 -0.02 0.00 0.00 35.03 30.22 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 -2.81 3.57 0.41 7.82 0.00 0.39 -4.70 121.76 126.44 1cee s ALA 151 Ca 0.00 1.48 0.15 0.00 0.00 0.00 0.00 51.96 53.59 1cee s ALA 151 Cb 0.00 -3.57 1.02 0.00 0.00 0.00 0.00 23.12 20.57 1cee s ALA 151 CO 0.00 -0.92 1.87 -0.39 0.00 0.00 0.00 175.76 176.32 1cee h VAL 152 N 3.04 0.74 0.00 0.00 -1.51 -1.47 -3.41 116.25 113.64 1cee h VAL 152 Ca -0.50 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1cee h VAL 152 Cb 1.23 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1cee h VAL 152 CO 0.66 0.09 0.00 0.29 -1.23 0.00 0.00 177.57 177.38 1cee n LYS 153 N -4.52 0.00 -4.10 5.19 5.02 -1.26 -5.06 118.16 113.44 1cee n LYS 153 Ca 0.18 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.12 1cee n LYS 153 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.50 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1cee s TYR 154 N -2.00 3.13 0.27 2.13 5.04 -1.26 -1.94 117.35 122.71 1cee s TYR 154 Ca 0.00 -0.19 0.04 0.00 -2.44 0.00 0.00 57.07 54.48 1cee s TYR 154 Cb 0.00 -2.07 -0.01 0.00 0.35 0.00 0.00 41.96 40.23 1cee s TYR 154 CO 0.00 -0.04 0.13 1.33 -1.34 0.00 0.00 175.55 175.63 1cee n VAL 155 N 3.85 0.00 -3.78 3.14 0.24 0.13 -4.98 118.33 116.93 1cee n VAL 155 Ca -0.17 -1.67 -0.10 0.00 -2.04 0.00 0.00 64.34 60.36 1cee n VAL 155 Cb 0.52 0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 33.51 1cee n VAL 155 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1cee s GLU 156 N -3.05 1.31 -0.24 7.34 2.02 -1.26 -1.57 118.70 123.25 1cee s GLU 156 Ca 0.18 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 53.99 1cee s GLU 156 Cb 0.01 0.49 0.09 0.00 0.10 0.00 0.00 34.13 34.82 1cee s GLU 156 CO 0.13 -0.54 0.83 0.00 0.02 0.00 0.00 175.26 175.70 1cee s SER 158 N 0.04 2.11 0.47 0.00 0.15 -0.14 -4.28 113.70 112.05 1cee s SER 158 Ca -0.00 -0.39 0.26 0.00 0.70 0.00 0.00 55.95 56.51 1cee s SER 158 Cb -0.04 -0.47 0.61 0.00 -1.71 0.00 0.00 66.02 64.40 1cee s SER 158 CO -0.00 -0.25 1.71 0.00 1.20 0.00 0.00 173.24 175.90 1cee h ALA 159 N 8.31 1.00 -0.07 5.45 0.00 -1.90 1.32 119.26 133.37 1cee h ALA 159 Ca -0.18 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1cee h ALA 159 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cee h ALA 159 CO 0.29 0.00 -0.27 1.25 0.00 0.00 0.00 179.25 180.52 1cee h LEU 160 N 0.00 0.35 -1.93 0.00 5.85 -1.94 -3.37 115.31 114.26 1cee h LEU 160 Ca -0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1cee h LEU 160 Cb 0.87 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1cee h LEU 160 CO 0.00 0.93 0.00 0.41 -0.34 0.00 0.00 178.44 179.44 1cee n THR 161 N -4.48 0.45 -1.64 1.05 -1.04 -1.23 -4.93 114.28 102.46 1cee n THR 161 Ca -0.08 -0.73 -0.15 0.00 -2.04 0.00 0.00 64.05 61.05 1cee n THR 161 Cb 0.47 0.79 -0.05 0.00 -1.82 0.00 0.00 70.33 69.72 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 -0.10 -1.11 -1.65 -2.82 6.02 0.45 -4.90 117.38 113.26 1cee n GLN 162 Ca 0.01 0.98 -0.43 0.00 -0.01 0.00 0.00 57.00 57.55 1cee n GLN 162 Cb 0.15 -5.18 -0.03 0.00 1.02 0.00 0.00 30.24 26.20 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 -3.65 3.17 -0.78 -1.09 2.36 -0.99 -2.49 119.74 116.28 1cee s LYS 163 Ca 0.00 1.97 0.00 0.00 -2.55 0.00 0.00 55.97 55.39 1cee s LYS 163 Cb 0.00 -4.35 0.00 0.00 -1.05 0.00 0.00 37.83 32.43 1cee s LYS 163 CO 0.00 -2.06 0.00 0.41 1.55 0.00 0.00 175.35 175.25 1cee n GLY 164 N 5.70 0.36 0.00 5.54 0.00 -1.26 -0.97 105.19 114.56 1cee n GLY 164 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.87 0.00 -0.28 0.99 7.94 -1.04 -0.58 117.00 122.16 1cee n LEU 165 Ca -0.08 0.68 0.03 0.00 -1.11 0.00 0.00 56.01 55.52 1cee n LEU 165 Cb 0.35 -0.18 0.16 0.00 0.53 0.00 0.00 43.42 44.28 1cee n LEU 165 CO 0.11 -0.18 1.12 0.07 -1.11 0.00 0.00 177.39 177.41 1cee h LYS 166 N 0.00 0.72 -0.38 1.96 2.10 -1.88 0.25 116.57 119.33 1cee h LYS 166 Ca 0.00 -0.04 0.11 0.00 -2.00 0.00 0.00 60.65 58.72 1cee h LYS 166 Cb 0.00 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.15 1cee h LYS 166 CO 0.00 0.47 0.41 -0.91 -2.00 0.00 0.00 179.45 177.42 1cee h ASN 167 N 0.74 0.00 -0.02 7.07 4.21 -1.87 0.36 115.58 126.07 1cee h ASN 167 Ca 0.39 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.76 1cee h ASN 167 Cb 0.37 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 1cee h ASN 167 CO -0.26 0.00 -0.45 1.62 -1.29 0.00 0.00 177.43 177.05 1cee h VAL 168 N 0.00 1.31 0.17 2.81 3.04 0.20 -2.99 116.25 120.78 1cee h VAL 168 Ca 0.18 -1.65 -0.30 0.00 -1.01 0.00 0.00 66.70 63.93 1cee h VAL 168 Cb 1.00 1.63 0.02 0.00 -2.01 0.00 0.00 31.29 31.93 1cee h VAL 168 CO -0.00 0.52 -1.31 -0.26 -1.01 0.00 0.00 177.57 175.51 1cee h PHE 169 N 0.45 0.76 -0.79 3.17 0.04 -0.33 -3.12 116.94 117.11 1cee h PHE 169 Ca 0.03 -0.53 0.17 0.00 2.80 0.00 0.00 57.97 60.44 1cee h PHE 169 Cb 0.97 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 39.02 1cee h PHE 169 CO 0.04 1.40 0.53 0.22 -0.60 0.00 0.00 178.31 179.90 1cee h ASP 170 N 0.14 0.36 0.38 2.17 1.82 -1.09 0.20 116.42 120.40 1cee h ASP 170 Ca -0.18 0.03 -0.20 0.00 -0.39 0.00 0.00 57.03 56.28 1cee h ASP 170 Cb 2.01 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 41.97 1cee h ASP 170 CO 0.23 0.17 -0.83 -0.08 -1.61 0.00 0.00 179.24 177.12 1cee h GLU 171 N 0.38 0.34 0.68 0.28 4.57 -1.54 -2.75 114.58 116.53 1cee h GLU 171 Ca 0.40 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1cee h GLU 171 Cb 0.99 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1cee h GLU 171 CO -0.13 1.00 -0.33 0.00 -1.18 0.00 0.00 179.01 178.37 1cee h ALA 172 N 0.90 -0.92 -0.33 2.92 0.00 -0.61 -1.48 119.26 119.74 1cee h ALA 172 Ca -0.05 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1cee h ALA 172 Cb 1.44 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.50 1cee h ALA 172 CO 0.14 -0.87 -0.26 0.82 0.00 0.00 0.00 179.25 179.08 1cee h ILE 173 N -1.22 0.34 -0.94 0.00 5.03 -1.31 1.31 117.51 120.71 1cee h ILE 173 Ca -0.09 0.00 0.26 0.00 -0.12 0.00 0.00 64.86 64.90 1cee h ILE 173 Cb 0.72 0.34 -0.05 0.00 -3.03 0.00 0.00 36.82 34.79 1cee h ILE 173 CO 0.15 0.00 0.66 0.25 -0.68 0.00 0.00 178.15 178.53 1cee h LEU 174 N -0.23 0.14 0.06 1.44 5.85 -1.52 0.12 115.31 121.17 1cee h LEU 174 Ca 0.16 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1cee h LEU 174 Cb 0.48 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1cee h LEU 174 CO -0.46 0.04 -0.70 0.00 -0.34 0.00 0.00 178.44 176.99 1cee h ALA 175 N 1.56 0.05 0.03 1.25 0.00 0.12 -3.37 119.26 118.90 1cee h ALA 175 Ca 0.47 -0.78 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1cee h ALA 175 Cb 1.63 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 1cee h ALA 175 CO -0.07 0.38 -0.25 0.00 0.00 0.00 0.00 179.25 179.30 1cee h ALA 176 N -0.07 -0.37 -3.02 0.00 0.00 0.28 -3.43 119.26 112.66 1cee h ALA 176 Ca -0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1cee h ALA 176 Cb 1.37 0.43 0.05 0.00 0.00 0.00 0.00 17.79 19.64 1cee h ALA 176 CO 0.02 -0.76 -0.02 1.28 0.00 0.00 0.00 179.25 179.76 1cee n LEU 177 N -5.37 0.00 -3.52 0.00 4.77 0.26 -4.79 117.00 108.35 1cee n LEU 177 Ca -0.05 -0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 55.61 1cee n LEU 177 Cb 0.28 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1cee n LEU 177 CO 0.23 -1.66 0.50 -1.83 -1.33 0.00 0.00 177.39 173.30 1cee s GLU 178 N -3.50 1.23 0.00 3.23 -1.05 -1.26 -4.97 118.70 112.38 1cee s GLU 178 Ca 0.16 -0.51 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1cee s GLU 178 Cb -0.02 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1cee s GLU 178 CO 0.13 -0.54 0.11 -0.35 0.95 0.00 0.00 175.26 175.56