#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 0.48 -0.05 0.03 -1.52 -1.26 -5.10 119.66 112.24 1cee s GLN 2 Ca 0.00 -0.03 -0.02 0.00 -1.95 0.00 0.00 55.36 53.36 1cee s GLN 2 Cb 0.00 0.23 0.04 0.00 -0.22 0.00 0.00 33.01 33.05 1cee s GLN 2 CO 0.00 -0.18 0.11 0.99 -0.25 0.00 0.00 175.29 175.96 1cee s THR 3 N -1.83 -0.07 0.17 -0.19 2.01 -1.26 -2.23 115.64 112.23 1cee s THR 3 Ca 0.04 0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 1cee s THR 3 Cb -0.01 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 72.24 1cee s THR 3 CO -0.04 0.09 0.42 -0.63 -0.69 0.00 0.00 174.62 173.78 1cee s ILE 4 N 1.29 5.11 -0.75 1.82 1.09 -1.05 -4.89 121.20 123.81 1cee s ILE 4 Ca -0.07 0.13 -0.04 0.00 -1.10 0.00 0.00 60.65 59.57 1cee s ILE 4 Cb -0.12 -3.63 0.19 0.00 -1.06 0.00 0.00 42.46 37.84 1cee s ILE 4 CO -0.05 -0.00 0.61 -0.75 -0.10 0.00 0.00 174.94 174.65 1cee s LYS 5 N -2.74 2.97 -0.01 2.79 2.47 -1.26 -0.06 119.74 123.89 1cee s LYS 5 Ca 0.43 -2.81 -0.20 0.00 -1.56 0.00 0.00 55.97 51.82 1cee s LYS 5 Cb -0.12 -3.90 -0.05 0.00 -1.46 0.00 0.00 37.83 32.30 1cee s LYS 5 CO 0.24 -1.22 0.57 0.00 0.16 0.00 0.00 175.35 175.09 1cee s VAL 7 N -0.21 0.75 -0.28 0.00 1.01 -1.25 -2.19 120.40 118.24 1cee s VAL 7 Ca 0.30 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 1cee s VAL 7 Cb -0.18 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 1cee s VAL 7 CO 0.16 0.27 0.78 -0.69 0.00 0.00 0.00 175.10 175.62 1cee s VAL 8 N 0.74 4.83 0.02 2.92 1.01 -0.98 -1.13 120.40 127.81 1cee s VAL 8 Ca -0.12 1.32 0.09 0.00 0.00 0.00 0.00 61.98 63.27 1cee s VAL 8 Cb -0.14 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1cee s VAL 8 CO 0.02 -0.15 -0.26 0.68 0.00 0.00 0.00 175.10 175.38 1cee s VAL 9 N 2.86 2.10 0.00 2.92 -7.23 0.85 -4.17 120.40 117.72 1cee s VAL 9 Ca 0.32 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1cee s VAL 9 Cb -0.15 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1cee s VAL 9 CO 0.10 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1cee n GLY 10 N 2.07 4.16 3.35 2.32 0.00 -1.26 -3.13 105.19 112.71 1cee n GLY 10 Ca -0.16 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 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 5.13 0.00 1.61 1.11 -1.26 -4.73 116.67 118.53 1cee s ASP 11 Ca 0.00 -0.66 0.00 0.00 0.18 0.00 0.00 52.55 52.07 1cee s ASP 11 Cb 0.00 -1.89 0.00 0.00 1.07 0.00 0.00 42.92 42.10 1cee s ASP 11 CO 0.00 -0.18 0.00 0.61 1.18 0.00 0.00 175.17 176.78 1cee n GLY 12 N 4.87 -0.44 0.00 0.21 0.00 -1.26 -4.99 105.19 103.59 1cee n GLY 12 Ca -0.15 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.24 0.09 -2.03 4.61 0.00 -1.26 -4.64 120.51 117.05 1cee n ALA 13 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1cee n ALA 13 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.03 -0.19 -2.23 0.00 0.24 -1.26 -3.64 118.33 110.22 1cee n VAL 14 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1cee n VAL 14 Cb 0.00 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 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 -0.46 0.00 0.28 7.63 0.00 -1.26 -4.69 105.19 106.68 1cee n GLY 15 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 3.00 0.00 0.00 1.61 -0.00 -1.95 -1.52 116.57 117.70 1cee h LYS 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1cee h LYS 16 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.75 1cee h LYS 16 CO 0.00 0.08 -0.42 2.41 -0.00 0.00 0.00 179.45 181.52 1cee n THR 17 N -3.49 0.24 -0.07 0.07 -1.04 -1.26 -2.96 114.28 105.78 1cee n THR 17 Ca -0.02 -0.17 -0.10 0.00 -2.04 0.00 0.00 64.05 61.73 1cee n THR 17 Cb 0.21 -0.14 -0.08 0.00 -1.82 0.00 0.00 70.33 68.50 1cee n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cee h LEU 19 N -1.00 0.84 -1.04 0.00 6.46 -1.71 -0.91 115.31 117.94 1cee h LEU 19 Ca -0.05 -0.61 0.05 0.00 -0.12 0.00 0.00 57.88 57.16 1cee h LEU 19 Cb 0.71 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.33 1cee h LEU 19 CO -0.03 1.40 0.64 -0.07 -0.62 0.00 0.00 178.44 179.76 1cee h LEU 20 N 0.43 1.04 0.15 2.25 3.38 -1.72 -1.12 115.31 119.71 1cee h LEU 20 Ca -0.08 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.60 1cee h LEU 20 Cb 1.52 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 42.06 1cee h LEU 20 CO 0.17 0.68 -1.33 0.40 0.09 0.00 0.00 178.44 178.45 1cee h ILE 21 N 1.18 1.41 0.00 1.22 1.08 -1.53 -2.91 117.51 117.96 1cee h ILE 21 Ca 0.41 -2.96 0.00 0.00 -0.39 0.00 0.00 64.86 61.92 1cee h ILE 21 Cb 0.11 2.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 1cee h ILE 21 CO -0.15 0.87 0.00 -1.20 -0.69 0.00 0.00 178.15 176.98 1cee n SER 22 N -3.56 0.35 -0.10 1.72 7.64 -0.35 -0.89 113.62 118.43 1cee n SER 22 Ca -0.11 0.60 -0.18 0.00 1.01 0.00 0.00 58.87 60.18 1cee n SER 22 Cb 1.04 -0.67 -0.13 0.00 -1.01 0.00 0.00 64.21 63.45 1cee n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cee n TYR 23 N -1.90 0.28 0.05 1.43 9.36 -0.47 -2.64 117.16 123.27 1cee n TYR 23 Ca 0.02 0.06 -0.20 0.00 3.32 0.00 0.00 57.90 61.10 1cee n TYR 23 Cb 0.18 -1.04 -0.13 0.00 -0.63 0.00 0.00 39.34 37.72 1cee n TYR 23 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1cee h THR 24 N 0.02 1.39 -0.17 2.97 1.35 -1.35 -3.33 112.91 113.78 1cee h THR 24 Ca -0.54 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 1cee h THR 24 Cb 1.95 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 71.16 1cee h THR 24 CO -0.04 0.69 0.00 0.35 -0.25 0.00 0.00 175.52 176.27 1cee n THR 25 N -4.02 0.27 -1.82 6.82 -2.24 -0.07 -4.95 114.28 108.26 1cee n THR 25 Ca -0.13 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 60.89 1cee n THR 25 Cb 0.84 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 70.17 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 1.04 -3.56 -4.10 3.42 5.15 -1.08 -4.92 115.26 111.22 1cee n ASN 26 Ca 0.13 0.26 -0.17 0.00 -0.60 0.00 0.00 54.58 54.20 1cee n ASN 26 Cb 0.47 -3.21 -0.13 0.00 -0.53 0.00 0.00 39.78 36.39 1cee n ASN 26 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1cee s LYS 27 N -3.89 0.72 -0.38 1.20 2.47 -1.24 -4.97 119.74 113.65 1cee s LYS 27 Ca 0.00 -0.70 -0.18 0.00 -1.56 0.00 0.00 55.97 53.53 1cee s LYS 27 Cb 0.00 -0.65 0.01 0.00 -1.46 0.00 0.00 37.83 35.72 1cee s LYS 27 CO 0.00 0.15 0.50 0.12 0.16 0.00 0.00 175.35 176.29 1cee s PHE 28 N -0.96 3.16 0.95 4.03 2.19 -1.26 -3.16 117.98 122.93 1cee s PHE 28 Ca -0.02 -0.00 -0.14 0.00 0.33 0.00 0.00 56.93 57.09 1cee s PHE 28 Cb -0.08 -2.96 0.17 0.00 -1.31 0.00 0.00 43.02 38.84 1cee s PHE 28 CO 0.01 -0.62 1.20 -1.25 1.83 0.00 0.00 175.22 176.39 1cee s PRO 29 N 2.37 0.76 0.00 10.12 0.04 -1.26 -5.04 135.00 141.99 1cee s PRO 29 Ca 0.17 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1cee s PRO 29 Cb -0.16 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1cee s PRO 29 CO 0.14 -2.40 0.00 0.43 0.04 0.00 0.00 177.00 175.21 1cee n SER 30 N -3.84 2.14 -4.75 6.66 7.64 -1.26 -5.04 113.62 115.16 1cee n SER 30 Ca 0.11 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.58 1cee n SER 30 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 1cee n SER 30 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1cee s GLU 31 N -1.94 4.43 -0.27 1.43 -6.30 -1.26 -5.02 118.70 109.77 1cee s GLU 31 Ca 0.00 2.04 -0.11 0.00 -2.50 0.00 0.00 54.97 54.39 1cee s GLU 31 Cb 0.00 -3.17 0.10 0.00 0.00 0.00 0.00 34.13 31.07 1cee s GLU 31 CO 0.00 -0.14 0.61 1.52 0.02 0.00 0.00 175.26 177.27 1cee s TYR 32 N -0.45 -1.10 0.34 5.30 -0.85 -1.26 -5.05 117.35 114.28 1cee s TYR 32 Ca 0.52 2.05 0.00 0.00 -0.52 0.00 0.00 57.07 59.12 1cee s TYR 32 Cb -0.36 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.61 1cee s TYR 32 CO 0.42 -0.56 0.00 0.28 -1.52 0.00 0.00 175.55 174.17 1cee n VAL 33 N 4.94 0.00 -3.08 -3.49 0.31 -1.26 -5.12 118.33 110.63 1cee n VAL 33 Ca -0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.78 1cee n VAL 33 Cb 0.53 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.41 1cee n VAL 33 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1cee s PRO 34 N -1.82 4.39 0.00 5.55 0.04 -1.26 -4.89 135.00 137.01 1cee s PRO 34 Ca 0.00 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1cee s PRO 34 Cb 0.00 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1cee s PRO 34 CO 0.00 0.03 0.00 2.41 0.04 0.00 0.00 177.00 179.48 1cee n THR 35 N 3.91 0.00 0.00 1.26 -1.04 -1.26 -5.03 114.28 112.12 1cee n THR 35 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1cee n THR 35 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1cee n THR 35 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1cee n VAL 36 N 0.00 0.00 -3.66 12.58 0.24 -1.26 -4.51 118.33 121.72 1cee n VAL 36 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1cee n VAL 36 Cb 0.00 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 1cee n VAL 36 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1cee s PHE 37 N 0.00 -1.04 -0.06 6.34 2.19 -1.26 -1.39 117.98 122.76 1cee s PHE 37 Ca 0.00 1.96 -0.03 0.00 0.33 0.00 0.00 56.93 59.19 1cee s PHE 37 Cb 0.00 0.58 0.04 0.00 -1.31 0.00 0.00 43.02 42.32 1cee s PHE 37 CO 0.00 -0.54 0.15 -0.51 1.83 0.00 0.00 175.22 176.15 1cee s ASP 38 N 2.17 -0.12 -0.26 6.13 1.01 -1.22 -5.01 116.67 119.38 1cee s ASP 38 Ca -0.07 0.30 -0.07 0.00 0.71 0.00 0.00 52.55 53.42 1cee s ASP 38 Cb -0.09 0.20 -0.01 0.00 1.01 0.00 0.00 42.92 44.03 1cee s ASP 38 CO -0.17 -0.13 0.07 0.21 0.21 0.00 0.00 175.17 175.35 1cee s ASN 39 N 1.02 5.07 0.30 0.27 2.47 -1.26 -2.15 114.94 120.65 1cee s ASN 39 Ca -0.08 -0.39 0.11 0.00 0.42 0.00 0.00 52.86 52.92 1cee s ASN 39 Cb -0.10 -1.90 -0.05 0.00 -1.45 0.00 0.00 41.25 37.75 1cee s ASN 39 CO -0.05 -0.09 -0.13 -0.31 -3.72 0.00 0.00 177.10 172.80 1cee s TYR 40 N 1.57 2.39 -0.11 0.43 1.51 -0.52 -4.99 117.35 117.63 1cee s TYR 40 Ca 0.05 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1cee s TYR 40 Cb -0.16 -1.15 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1cee s TYR 40 CO 0.03 0.66 -0.06 0.00 -1.11 0.00 0.00 175.55 175.07 1cee s ALA 41 N -2.51 1.22 -0.04 3.71 0.00 -1.26 -0.01 121.76 122.85 1cee s ALA 41 Ca 0.31 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1cee s ALA 41 Cb -0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1cee s ALA 41 CO 0.16 -0.47 0.06 0.08 0.00 0.00 0.00 175.76 175.59 1cee s VAL 42 N 1.76 4.67 -0.32 0.00 1.01 -0.63 -4.92 120.40 121.96 1cee s VAL 42 Ca 0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1cee s VAL 42 Cb -0.13 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1cee s VAL 42 CO -0.08 0.47 0.10 -0.89 0.00 0.00 0.00 175.10 174.70 1cee s THR 43 N -1.07 3.92 0.21 3.92 2.01 -1.26 0.12 115.64 123.50 1cee s THR 43 Ca 0.19 -0.92 0.11 0.00 0.31 0.00 0.00 61.69 61.37 1cee s THR 43 Cb -0.12 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1cee s THR 43 CO 0.09 -0.07 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.07 1cee s VAL 44 N 1.46 2.66 -0.95 3.82 1.01 -1.00 -4.92 120.40 122.48 1cee s VAL 44 Ca 0.00 -2.01 -0.17 0.00 0.00 0.00 0.00 61.98 59.80 1cee s VAL 44 Cb -0.18 -2.32 0.16 0.00 0.00 0.00 0.00 36.38 34.03 1cee s VAL 44 CO 0.03 -0.19 1.08 -0.04 0.00 0.00 0.00 175.10 175.98 1cee s MET 45 N -2.96 3.68 -0.14 2.72 -1.94 -1.26 0.32 119.30 119.72 1cee s MET 45 Ca 0.24 -2.07 -0.15 0.00 -1.71 0.00 0.00 55.69 52.01 1cee s MET 45 Cb -0.07 -4.81 -0.05 0.00 2.01 0.00 0.00 34.83 31.91 1cee s MET 45 CO 0.13 -1.64 0.34 0.42 -0.01 0.00 0.00 175.02 174.26 1cee s ILE 46 N 1.84 5.27 -1.32 2.53 1.01 0.15 -4.25 121.20 126.42 1cee s ILE 46 Ca 0.30 0.65 -0.10 0.00 0.00 0.00 0.00 60.65 61.51 1cee s ILE 46 Cb -0.06 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.82 1cee s ILE 46 CO -0.08 0.39 0.52 0.61 0.00 0.00 0.00 174.94 176.38 1cee n GLY 47 N 3.24 -0.48 2.21 6.18 0.00 -1.26 0.62 105.19 115.70 1cee n GLY 47 Ca -0.11 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1cee n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cee n GLY 48 N -1.19 0.80 2.96 -0.02 0.00 -1.26 -5.02 105.19 101.46 1cee n GLY 48 Ca -0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.01 0.33 -0.17 1.61 2.02 0.20 -5.11 118.70 114.57 1cee s GLU 49 Ca 0.00 -0.32 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 1cee s GLU 49 Cb 0.00 -0.22 -0.03 0.00 0.10 0.00 0.00 34.13 33.98 1cee s GLU 49 CO 0.00 0.05 1.49 -1.25 0.02 0.00 0.00 175.26 175.57 1cee s PRO 50 N -0.57 4.03 0.53 0.39 0.04 -1.26 0.30 135.00 138.46 1cee s PRO 50 Ca -0.03 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.78 1cee s PRO 50 Cb -0.04 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.58 1cee s PRO 50 CO -0.00 -1.00 0.20 0.71 0.04 0.00 0.00 177.00 176.95 1cee s TYR 51 N 4.33 1.70 -0.26 0.56 1.51 0.15 -4.50 117.35 120.85 1cee s TYR 51 Ca 0.65 -0.92 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1cee s TYR 51 Cb -0.25 -1.75 0.09 0.00 -0.11 0.00 0.00 41.96 39.94 1cee s TYR 51 CO 0.24 -0.12 0.10 0.99 -1.11 0.00 0.00 175.55 175.65 1cee s THR 52 N -2.84 0.19 -0.35 -0.71 2.01 -0.95 -2.38 115.64 110.62 1cee s THR 52 Ca 0.18 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1cee s THR 52 Cb -0.01 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.47 1cee s THR 52 CO 0.11 -0.56 1.21 -0.22 -0.69 0.00 0.00 174.62 174.46 1cee s LEU 53 N 1.98 3.83 -0.42 4.42 1.98 0.33 -2.53 118.68 128.27 1cee s LEU 53 Ca 0.06 0.99 -0.29 0.00 -2.89 0.00 0.00 54.13 52.01 1cee s LEU 53 Cb -0.16 -3.54 0.01 0.00 0.66 0.00 0.00 46.19 43.15 1cee s LEU 53 CO -0.25 -1.08 1.41 -0.83 -1.89 0.00 0.00 176.35 173.71 1cee s GLY 54 N 2.45 1.09 -0.22 7.98 0.00 0.91 -1.61 107.32 117.92 1cee s GLY 54 Ca 0.52 -0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.88 1cee s GLY 54 CO 0.23 2.77 0.48 1.08 0.00 0.00 0.00 173.10 177.65 1cee s LEU 55 N 5.46 4.12 -0.16 0.66 1.43 0.98 -1.42 118.68 129.75 1cee s LEU 55 Ca 0.61 0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1cee s LEU 55 Cb -0.13 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.49 1cee s LEU 55 CO 0.33 -0.18 -0.06 -0.36 0.23 0.00 0.00 176.35 176.31 1cee s PHE 56 N 1.72 1.74 -0.21 0.29 0.40 -0.93 -1.44 117.98 119.55 1cee s PHE 56 Ca 0.22 -1.08 -0.08 0.00 -0.60 0.00 0.00 56.93 55.38 1cee s PHE 56 Cb -0.15 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1cee s PHE 56 CO 0.09 -0.62 0.08 0.34 0.70 0.00 0.00 175.22 175.82 1cee s ASP 57 N 1.62 5.57 0.02 1.36 -1.08 -0.92 -2.33 116.67 120.92 1cee s ASP 57 Ca 0.01 0.00 0.02 0.00 -0.52 0.00 0.00 52.55 52.07 1cee s ASP 57 Cb -0.15 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.30 1cee s ASP 57 CO -0.08 0.10 -0.01 0.42 0.52 0.00 0.00 175.17 176.12 1cee s THR 58 N 0.84 4.05 0.28 1.71 -4.23 -1.26 -3.37 115.64 113.66 1cee s THR 58 Ca 0.04 -0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 59.56 1cee s THR 58 Cb -0.13 -2.82 -0.09 0.00 1.34 0.00 0.00 72.50 70.79 1cee s THR 58 CO 0.02 0.32 1.00 0.00 -0.54 0.00 0.00 174.62 175.42 1cee s ALA 59 N -1.12 3.32 1.00 3.99 0.00 -0.49 -4.92 121.76 123.54 1cee s ALA 59 Ca 0.20 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1cee s ALA 59 Cb -0.11 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1cee s ALA 59 CO 0.12 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1cee n GLY 60 N 1.15 -1.25 1.47 0.00 0.00 -1.26 -4.79 105.19 100.51 1cee n GLY 60 Ca -0.00 -1.59 0.18 0.00 0.00 0.00 0.00 46.02 44.61 1cee n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cee n GLN 61 N -0.43 -3.30 0.16 1.61 7.27 -1.26 -4.06 117.38 117.38 1cee n GLN 61 Ca 0.00 2.61 0.09 0.00 0.07 0.00 0.00 57.00 59.77 1cee n GLN 61 Cb 0.00 -3.90 0.08 0.00 2.41 0.00 0.00 30.24 28.83 1cee n GLN 61 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1cee h GLU 62 N -1.44 0.00 -0.13 3.69 4.81 -2.00 -3.29 114.58 116.21 1cee h GLU 62 Ca -0.16 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1cee h GLU 62 Cb 1.40 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1cee h GLU 62 CO 0.07 0.10 0.11 0.22 -0.73 0.00 0.00 179.01 178.78 1cee h ASP 63 N 0.00 0.00 -0.47 1.04 3.58 -1.97 0.26 116.42 118.85 1cee h ASP 63 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1cee h ASP 63 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1cee h ASP 63 CO 0.01 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.15 1cee n TYR 64 N -4.19 1.13 0.53 0.28 4.02 -1.24 -4.44 117.16 113.25 1cee n TYR 64 Ca 0.00 -0.66 0.11 0.00 -0.01 0.00 0.00 57.90 57.35 1cee n TYR 64 Cb 0.23 -0.22 0.44 0.00 -0.02 0.00 0.00 39.34 39.77 1cee n TYR 64 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1cee n ASP 65 N 0.54 0.45 -0.01 7.72 -0.08 0.08 -1.71 116.55 123.54 1cee n ASP 65 Ca 0.21 0.59 -0.13 0.00 -1.51 0.00 0.00 54.79 53.95 1cee n ASP 65 Cb 0.79 -0.69 -0.10 0.00 2.34 0.00 0.00 41.12 43.46 1cee n ASP 65 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1cee h ARG 66 N 0.00 -0.03 -0.57 -0.67 2.47 -1.78 -3.32 114.38 110.48 1cee h ARG 66 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1cee h ARG 66 Cb 0.42 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1cee h ARG 66 CO 0.00 0.55 0.00 1.47 0.56 0.00 0.00 179.97 182.55 1cee n LEU 67 N -4.82 3.96 -0.02 3.04 -0.00 -1.22 -4.50 117.00 113.44 1cee n LEU 67 Ca -0.09 -2.22 -0.19 0.00 -0.00 0.00 0.00 56.01 53.51 1cee n LEU 67 Cb 0.30 -0.46 -0.13 0.00 -0.00 0.00 0.00 43.42 43.12 1cee n LEU 67 CO 0.33 0.84 -0.16 -0.09 -0.00 0.00 0.00 177.39 178.31 1cee h ARG 68 N 3.46 0.15 0.00 1.47 1.12 -1.43 -3.32 114.38 115.83 1cee h ARG 68 Ca 0.00 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.61 1cee h ARG 68 Cb 1.11 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.17 1cee h ARG 68 CO 0.09 1.12 0.23 -1.35 -3.11 0.00 0.00 179.97 176.95 1cee h PRO 69 N -0.61 0.00 -0.31 0.20 0.11 -1.79 -2.34 132.00 127.26 1cee h PRO 69 Ca -0.21 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.99 1cee h PRO 69 Cb 1.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.57 1cee h PRO 69 CO 0.01 0.00 0.54 -0.07 -0.21 0.00 0.00 178.00 178.27 1cee h LEU 70 N 0.00 0.00 -2.94 2.35 3.38 -1.85 0.90 115.31 117.16 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 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1cee h LEU 70 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.29 1cee n SER 71 N -3.29 4.50 -0.08 -0.43 2.88 -0.88 -4.38 113.62 111.94 1cee n SER 71 Ca 0.05 -2.39 -0.23 0.00 -1.33 0.00 0.00 58.87 54.98 1cee n SER 71 Cb 0.67 -0.56 -0.12 0.00 -0.75 0.00 0.00 64.21 63.45 1cee n SER 71 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1cee n TYR 72 N 1.11 0.87 -1.64 0.66 4.02 0.31 -4.74 117.16 117.75 1cee n TYR 72 Ca 0.25 0.30 -0.50 0.00 -0.01 0.00 0.00 57.90 57.93 1cee n TYR 72 Cb 0.84 -1.10 -0.05 0.00 -0.02 0.00 0.00 39.34 39.00 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 -4.06 1.61 -3.31 -0.72 -0.02 -1.25 -1.52 135.00 125.73 1cee n PRO 73 Ca -0.36 0.58 -0.20 0.00 -2.02 0.00 0.00 63.50 61.50 1cee n PRO 73 Cb 0.84 -2.30 0.06 0.00 -0.02 0.00 0.00 33.50 32.08 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 3.66 -6.21 -3.44 -0.52 1.13 -1.26 -4.99 117.38 105.75 1cee n GLN 74 Ca 0.19 0.73 -0.37 0.00 -1.94 0.00 0.00 57.00 55.62 1cee n GLN 74 Cb 0.23 -5.41 -0.07 0.00 0.11 0.00 0.00 30.24 25.10 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 -3.23 5.25 0.00 5.09 2.01 -0.58 -4.88 115.64 119.30 1cee s THR 75 Ca 0.44 0.72 0.00 0.00 0.31 0.00 0.00 61.69 63.17 1cee s THR 75 Cb -0.20 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1cee s THR 75 CO 0.55 0.37 0.04 0.47 -0.69 0.00 0.00 174.62 175.36 1cee n ASP 76 N 3.57 0.00 -5.00 3.53 8.00 -1.08 -4.92 116.55 120.66 1cee n ASP 76 Ca -0.10 0.21 -0.19 0.00 0.71 0.00 0.00 54.79 55.42 1cee n ASP 76 Cb 0.52 -0.18 0.05 0.00 -0.02 0.00 0.00 41.12 41.49 1cee n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1cee s VAL 77 N -0.44 2.41 -0.14 2.53 0.11 -1.23 -2.97 120.40 120.68 1cee s VAL 77 Ca 0.00 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1cee s VAL 77 Cb 0.00 -2.46 0.07 0.00 -1.53 0.00 0.00 36.38 32.46 1cee s VAL 77 CO 0.00 0.00 0.22 -0.36 -3.33 0.00 0.00 175.10 171.63 1cee s PHE 78 N -2.62 -0.30 -0.67 1.54 0.08 -0.98 -3.87 117.98 111.17 1cee s PHE 78 Ca 0.60 0.64 -0.24 0.00 0.12 0.00 0.00 56.93 58.05 1cee s PHE 78 Cb -0.07 -0.20 0.06 0.00 -0.57 0.00 0.00 43.02 42.23 1cee s PHE 78 CO 0.38 -0.40 1.05 -0.51 -0.10 0.00 0.00 175.22 175.64 1cee s LEU 79 N 2.35 4.01 -0.97 -0.37 1.02 -0.28 -2.43 118.68 122.01 1cee s LEU 79 Ca 0.04 -0.76 -0.14 0.00 0.02 0.00 0.00 54.13 53.29 1cee s LEU 79 Cb -0.13 -2.51 0.21 0.00 0.02 0.00 0.00 46.19 43.78 1cee s LEU 79 CO -0.09 -1.53 1.01 -0.69 0.02 0.00 0.00 176.35 175.07 1cee s VAL 80 N 4.52 5.49 -0.44 -1.59 1.01 -1.16 -0.11 120.40 128.13 1cee s VAL 80 Ca 0.27 -2.59 -0.26 0.00 0.00 0.00 0.00 61.98 59.40 1cee s VAL 80 Cb -0.14 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.65 1cee s VAL 80 CO 0.13 -1.23 0.95 0.00 0.00 0.00 0.00 175.10 174.95 1cee s PHE 82 N 3.77 2.20 -0.59 0.00 -0.71 -0.39 -4.78 117.98 117.47 1cee s PHE 82 Ca 0.39 -0.65 -0.19 0.00 -1.04 0.00 0.00 56.93 55.44 1cee s PHE 82 Cb -0.10 -2.06 0.10 0.00 -1.21 0.00 0.00 43.02 39.75 1cee s PHE 82 CO 0.25 -0.30 0.69 -1.12 -1.34 0.00 0.00 175.22 173.41 1cee s SER 83 N -4.20 6.18 0.52 1.98 0.01 -1.26 0.12 113.70 117.06 1cee s SER 83 Ca 0.43 -1.43 0.24 0.00 1.31 0.00 0.00 55.95 56.50 1cee s SER 83 Cb -0.02 -2.30 1.36 0.00 0.21 0.00 0.00 66.02 65.27 1cee s SER 83 CO 0.26 -1.10 2.01 0.58 0.41 0.00 0.00 173.24 175.40 1cee h VAL 84 N 5.92 0.77 -0.91 3.43 2.07 -1.48 0.20 116.25 126.26 1cee h VAL 84 Ca -0.29 -0.01 -0.45 0.00 0.82 0.00 0.00 66.70 66.77 1cee h VAL 84 Cb 1.09 0.75 -0.27 0.00 -1.52 0.00 0.00 31.29 31.33 1cee h VAL 84 CO 1.09 0.00 0.57 1.33 0.02 0.00 0.00 177.57 180.59 1cee n VAL 85 N -4.40 3.03 -3.44 2.57 0.24 -1.26 0.31 118.33 115.39 1cee n VAL 85 Ca 0.08 -1.76 -0.22 0.00 -2.04 0.00 0.00 64.34 60.41 1cee n VAL 85 Cb 0.54 -0.49 -0.11 0.00 -1.47 0.00 0.00 33.84 32.31 1cee n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cee s SER 86 N -1.12 2.23 0.53 -1.34 0.15 0.72 -4.51 113.70 110.34 1cee s SER 86 Ca 0.53 -1.24 0.29 0.00 0.70 0.00 0.00 55.95 56.24 1cee s SER 86 Cb 0.45 0.18 1.44 0.00 -1.71 0.00 0.00 66.02 66.37 1cee s SER 86 CO 0.11 -0.37 1.91 -0.65 1.20 0.00 0.00 173.24 175.44 1cee h PRO 87 N 7.91 0.03 0.07 5.44 0.11 -1.79 -1.46 132.00 142.32 1cee h PRO 87 Ca -0.09 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1cee h PRO 87 Cb 1.04 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1cee h PRO 87 CO 0.33 0.02 -0.04 1.03 -0.21 0.00 0.00 178.00 179.13 1cee h SER 88 N 0.03 -0.08 -0.36 -2.05 0.87 -1.95 -2.32 113.55 107.69 1cee h SER 88 Ca 0.39 -0.02 0.08 0.00 -1.23 0.00 0.00 61.79 61.01 1cee h SER 88 Cb 1.53 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 63.44 1cee h SER 88 CO -0.02 -0.04 -0.15 -1.28 -0.53 0.00 0.00 176.83 174.82 1cee h SER 89 N -0.12 -0.51 -0.67 6.23 0.87 -1.55 1.00 113.55 118.79 1cee h SER 89 Ca -0.01 0.13 0.17 0.00 -1.23 0.00 0.00 61.79 60.85 1cee h SER 89 Cb 0.10 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1cee h SER 89 CO 0.02 -0.18 0.47 0.15 -0.53 0.00 0.00 176.83 176.76 1cee h PHE 90 N -0.08 0.15 -0.13 2.24 3.04 -1.45 1.59 116.94 122.31 1cee h PHE 90 Ca 0.18 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.08 1cee h PHE 90 Cb 0.36 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1cee h PHE 90 CO -0.38 0.05 -0.14 0.93 -2.02 0.00 0.00 178.31 176.76 1cee h GLU 91 N 0.13 0.32 0.00 1.11 5.08 -0.26 -3.23 114.58 117.72 1cee h GLU 91 Ca 0.33 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 1cee h GLU 91 Cb 1.10 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1cee h GLU 91 CO -0.04 0.73 -0.98 -0.91 -1.00 0.00 0.00 179.01 176.81 1cee h ASN 92 N -0.07 0.00 -1.10 1.42 4.21 -0.65 -2.93 115.58 116.46 1cee h ASN 92 Ca 0.02 0.00 0.30 0.00 1.21 0.00 0.00 56.30 57.83 1cee h ASN 92 Cb 0.68 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.77 1cee h ASN 92 CO 0.03 0.91 0.70 0.58 -1.29 0.00 0.00 177.43 178.36 1cee h VAL 93 N 0.00 0.42 0.00 2.81 2.07 0.22 1.50 116.25 123.28 1cee h VAL 93 Ca -0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1cee h VAL 93 Cb 1.72 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1cee h VAL 93 CO 0.11 0.06 -1.61 2.29 0.02 0.00 0.00 177.57 178.44 1cee n LYS 94 N -4.68 0.53 -2.59 1.57 2.85 -1.23 -3.16 118.16 111.46 1cee n LYS 94 Ca 0.28 -0.13 -0.14 0.00 -1.05 0.00 0.00 58.31 57.28 1cee n LYS 94 Cb 1.00 -1.48 0.02 0.00 -0.65 0.00 0.00 35.03 33.92 1cee n LYS 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cee n GLU 95 N -1.97 2.05 0.00 -1.58 1.02 0.80 -4.67 120.64 116.30 1cee n GLU 95 Ca -0.01 -3.71 0.00 0.00 -0.02 0.00 0.00 57.16 53.42 1cee n GLU 95 Cb 0.46 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1cee n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cee n LYS 96 N -0.31 0.00 -0.03 3.49 4.76 0.48 -4.70 118.16 121.85 1cee n LYS 96 Ca 0.20 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.50 1cee n LYS 96 Cb 0.79 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.88 1cee n LYS 96 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1cee h TRP 97 N 0.00 0.18 0.10 2.13 4.06 -1.03 -3.13 115.95 118.25 1cee h TRP 97 Ca 0.00 -0.07 -0.15 0.00 2.06 0.00 0.00 58.89 60.73 1cee h TRP 97 Cb 0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1cee h TRP 97 CO 0.00 0.69 -0.71 0.28 -3.56 0.00 0.00 178.44 175.14 1cee h VAL 98 N -0.39 1.50 -1.01 1.49 2.07 -1.76 -3.35 116.25 114.81 1cee h VAL 98 Ca 0.00 -2.46 0.23 0.00 0.82 0.00 0.00 66.70 65.29 1cee h VAL 98 Cb 0.68 3.15 -0.10 0.00 -1.52 0.00 0.00 31.29 33.50 1cee h VAL 98 CO 0.02 0.67 0.62 -0.65 0.02 0.00 0.00 177.57 178.25 1cee h PRO 99 N -0.54 0.57 -0.23 1.57 0.11 -1.83 0.36 132.00 132.01 1cee h PRO 99 Ca -0.14 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.95 1cee h PRO 99 Cb 1.49 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1cee h PRO 99 CO 0.09 0.37 0.15 1.05 -0.21 0.00 0.00 178.00 179.45 1cee h GLU 100 N 0.58 0.24 0.11 1.05 4.11 -1.67 -2.07 114.58 116.95 1cee h GLU 100 Ca 0.59 -0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.74 1cee h GLU 100 Cb 1.18 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1cee h GLU 100 CO -0.37 0.16 -1.39 0.82 0.07 0.00 0.00 179.01 178.30 1cee h ILE 101 N 0.25 1.04 -0.30 -1.06 2.04 -0.54 -3.33 117.51 115.61 1cee h ILE 101 Ca 0.09 -2.40 0.09 0.00 1.00 0.00 0.00 64.86 63.64 1cee h ILE 101 Cb 0.05 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1cee h ILE 101 CO -0.02 0.70 0.35 0.71 0.00 0.00 0.00 178.15 179.89 1cee h THR 102 N -0.31 0.38 -0.21 -0.27 1.35 -0.59 0.60 112.91 113.86 1cee h THR 102 Ca -0.30 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.42 1cee h THR 102 Cb 1.75 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 1cee h THR 102 CO 0.06 0.00 -0.47 -0.74 -0.25 0.00 0.00 175.52 174.12 1cee h HIS 103 N 0.00 0.66 0.10 4.73 2.76 -1.49 -2.76 115.15 119.14 1cee h HIS 103 Ca 0.14 -0.21 -0.36 0.00 -2.20 0.00 0.00 60.37 57.74 1cee h HIS 103 Cb 0.84 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.64 1cee h HIS 103 CO 0.00 0.91 -2.02 0.72 -1.30 0.00 0.00 177.93 176.24 1cee n HIS 104 N -3.99 1.09 -3.27 5.26 -0.00 0.56 -4.84 115.22 110.02 1cee n HIS 104 Ca -0.02 0.25 -0.06 0.00 -0.00 0.00 0.00 57.72 57.88 1cee n HIS 104 Cb 0.56 -1.15 -0.04 0.00 -0.00 0.00 0.00 29.99 29.36 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 4.66 0.78 -0.09 0.00 -0.04 -1.04 -3.57 135.00 135.70 1cee n PRO 106 Ca 0.08 -0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1cee n PRO 106 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.08 1.03 -1.60 0.54 -0.00 -1.26 -4.98 118.16 110.81 1cee n LYS 107 Ca 0.20 0.03 -0.45 0.00 -0.00 0.00 0.00 58.31 58.08 1cee n LYS 107 Cb 0.18 -1.43 -0.02 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 -2.77 1.63 -1.65 0.58 -2.24 -1.23 -4.87 114.28 103.72 1cee n THR 108 Ca -0.31 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 1cee n THR 108 Cb 1.01 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 1.09 1.68 -3.81 -0.78 -0.04 -1.16 -4.91 135.00 127.07 1cee n PRO 109 Ca 0.11 0.59 -0.30 0.00 -0.04 0.00 0.00 63.50 63.86 1cee n PRO 109 Cb 0.30 -2.16 -0.15 0.00 -0.04 0.00 0.00 33.50 31.46 1cee n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1cee s PHE 110 N -1.17 2.16 -0.55 0.54 0.08 -1.26 -2.31 117.98 115.47 1cee s PHE 110 Ca 0.60 -1.98 -0.28 0.00 0.12 0.00 0.00 56.93 55.39 1cee s PHE 110 Cb -0.57 -1.94 0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1cee s PHE 110 CO 0.59 -0.88 1.25 -1.17 -0.10 0.00 0.00 175.22 174.91 1cee s LEU 111 N 1.46 3.47 -0.79 -0.37 2.96 -1.02 -2.04 118.68 122.36 1cee s LEU 111 Ca 0.09 0.24 -0.25 0.00 -0.22 0.00 0.00 54.13 53.99 1cee s LEU 111 Cb -0.18 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1cee s LEU 111 CO -0.20 -1.49 1.90 -0.22 -1.32 0.00 0.00 176.35 175.02 1cee s LEU 112 N 5.14 3.22 -0.08 -0.68 0.20 -1.06 -2.96 118.68 122.46 1cee s LEU 112 Ca 0.47 -0.30 -0.20 0.00 0.69 0.00 0.00 54.13 54.79 1cee s LEU 112 Cb -0.08 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 1cee s LEU 112 CO 0.27 -2.58 0.58 -0.69 -0.29 0.00 0.00 176.35 173.64 1cee s VAL 113 N 9.58 5.08 -0.20 1.68 1.01 -0.81 -0.12 120.40 136.63 1cee s VAL 113 Ca 0.68 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 1cee s VAL 113 Cb -0.09 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1cee s VAL 113 CO 0.07 0.32 -0.10 -0.83 0.00 0.00 0.00 175.10 174.57 1cee s GLY 114 N 0.50 1.54 0.46 4.51 0.00 -0.25 -1.27 107.32 112.81 1cee s GLY 114 Ca 0.31 -1.14 0.08 0.00 0.00 0.00 0.00 44.72 43.97 1cee s GLY 114 CO 0.14 0.30 0.57 -1.59 0.00 0.00 0.00 173.10 172.52 1cee s THR 115 N 1.27 2.66 -0.35 0.90 2.01 0.12 -2.19 115.64 120.06 1cee s THR 115 Ca 0.03 -1.10 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 1cee s THR 115 Cb -0.14 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 1cee s THR 115 CO -0.05 0.00 0.29 0.00 -0.69 0.00 0.00 174.62 174.18 1cee n GLN 116 N -1.86 -1.87 0.03 4.92 1.13 -1.26 -1.31 117.38 117.15 1cee n GLN 116 Ca 0.08 0.25 -0.19 0.00 -1.94 0.00 0.00 57.00 55.20 1cee n GLN 116 Cb 0.60 -3.45 -0.14 0.00 0.11 0.00 0.00 30.24 27.36 1cee n GLN 116 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1cee h ILE 117 N -0.54 0.86 -0.71 5.09 2.04 -1.86 -3.02 117.51 119.36 1cee h ILE 117 Ca -0.17 -2.54 0.15 0.00 1.00 0.00 0.00 64.86 63.30 1cee h ILE 117 Cb 1.10 2.62 -0.11 0.00 -0.74 0.00 0.00 36.82 39.69 1cee h ILE 117 CO 0.15 0.82 0.14 -2.24 0.00 0.00 0.00 178.15 177.01 1cee h ASP 118 N 0.07 -0.05 -0.01 1.72 2.03 -1.94 0.20 116.42 118.45 1cee h ASP 118 Ca -0.34 0.15 -0.26 0.00 -0.73 0.00 0.00 57.03 55.85 1cee h ASP 118 Cb 2.05 0.22 0.02 0.00 -0.83 0.00 0.00 39.33 40.78 1cee h ASP 118 CO 0.13 -0.06 -1.00 -0.07 -1.03 0.00 0.00 179.24 177.21 1cee h LEU 119 N 0.23 0.89 -1.99 0.15 3.38 -1.93 -3.10 115.31 112.94 1cee h LEU 119 Ca 0.40 -0.73 0.18 0.00 0.09 0.00 0.00 57.88 57.81 1cee h LEU 119 Cb 0.68 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1cee h LEU 119 CO -0.52 1.51 0.49 -0.09 0.09 0.00 0.00 178.44 179.92 1cee h ARG 120 N 0.37 0.00 -0.53 1.13 2.43 -0.95 0.92 114.38 117.75 1cee h ARG 120 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1cee h ARG 120 Cb 1.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 1cee h ARG 120 CO 0.20 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.41 1cee n ASP 121 N -4.12 2.92 -4.06 -3.80 8.00 0.53 -4.74 116.55 111.28 1cee n ASP 121 Ca 0.12 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.29 1cee n ASP 121 Cb 0.73 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 41.35 1cee n ASP 121 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1cee s ASP 122 N -1.05 4.97 0.30 -2.24 1.01 0.32 -4.97 116.67 115.01 1cee s ASP 122 Ca 0.37 -2.46 0.06 0.00 0.71 0.00 0.00 52.55 51.23 1cee s ASP 122 Cb 0.19 -1.76 0.78 0.00 1.01 0.00 0.00 42.92 43.14 1cee s ASP 122 CO 0.25 -0.41 1.73 -0.65 0.21 0.00 0.00 175.17 176.31 1cee h PRO 123 N 7.40 0.54 -0.80 8.23 0.11 -1.85 0.18 132.00 145.81 1cee h PRO 123 Ca -0.07 -0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.21 1cee h PRO 123 Cb 0.99 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 1cee h PRO 123 CO 0.66 0.36 0.55 0.66 -0.21 0.00 0.00 178.00 180.02 1cee h SER 124 N 0.55 0.16 0.04 -2.05 4.64 -1.93 0.39 113.55 115.35 1cee h SER 124 Ca 0.59 0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 61.55 1cee h SER 124 Cb 1.06 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 1cee h SER 124 CO -0.47 0.07 -2.11 0.35 -0.87 0.00 0.00 176.83 173.80 1cee n THR 125 N -4.39 1.59 -0.28 2.95 -2.24 0.39 -3.11 114.28 109.19 1cee n THR 125 Ca 0.16 -0.44 0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1cee n THR 125 Cb 0.76 -1.74 0.17 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.42 0.87 0.00 2.28 2.04 -0.37 -0.72 117.51 121.19 1cee h ILE 126 Ca -0.52 -0.25 -0.16 0.00 1.00 0.00 0.00 64.86 64.93 1cee h ILE 126 Cb 1.75 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1cee h ILE 126 CO -0.14 0.13 -0.75 -0.33 0.00 0.00 0.00 178.15 177.06 1cee h GLU 127 N 0.72 0.00 -0.35 2.37 5.08 -0.44 -0.61 114.58 121.36 1cee h GLU 127 Ca 0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1cee h GLU 127 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1cee h GLU 127 CO -0.27 0.75 0.15 -0.22 -1.00 0.00 0.00 179.01 178.42 1cee h LYS 128 N 0.00 0.51 0.00 2.33 3.64 -1.10 -3.21 116.57 118.74 1cee h LYS 128 Ca -0.01 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1cee h LYS 128 Cb 1.50 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 1cee h LYS 128 CO 0.10 0.50 -1.66 1.47 -2.27 0.00 0.00 179.45 177.58 1cee n LEU 129 N -4.70 0.43 0.04 5.20 -0.00 -0.72 -3.96 117.00 113.28 1cee n LEU 129 Ca -0.01 0.18 0.21 0.00 -0.00 0.00 0.00 56.01 56.39 1cee n LEU 129 Cb 0.13 0.07 0.62 0.00 -0.00 0.00 0.00 43.42 44.24 1cee n LEU 129 CO 0.36 0.06 1.19 0.00 -0.00 0.00 0.00 177.39 179.00 1cee h ALA 130 N 1.72 2.28 0.00 1.47 0.00 -0.65 0.18 119.26 124.26 1cee h ALA 130 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1cee h ALA 130 Cb 1.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1cee h ALA 130 CO 0.02 -0.98 -0.04 1.63 0.00 0.00 0.00 179.25 179.87 1cee n LYS 131 N -3.39 1.75 -0.06 0.00 5.02 -1.25 -4.73 118.16 115.50 1cee n LYS 131 Ca 0.11 -1.48 -0.07 0.00 -2.02 0.00 0.00 58.31 54.85 1cee n LYS 131 Cb 0.90 -0.96 -0.08 0.00 -0.02 0.00 0.00 35.03 34.86 1cee n LYS 131 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1cee n ASN 132 N -0.55 2.34 0.00 4.39 3.02 0.53 -4.99 115.26 119.99 1cee n ASN 132 Ca 0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1cee n ASN 132 Cb 0.42 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 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 -2.54 0.00 -4.21 3.52 -0.00 -0.85 -5.09 118.16 109.00 1cee n LYS 133 Ca -0.20 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.85 1cee n LYS 133 Cb 0.85 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.81 1cee n LYS 133 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1cee s GLN 134 N 0.00 2.45 -0.02 -1.58 -0.21 -0.70 -4.95 119.66 114.65 1cee s GLN 134 Ca 0.00 -1.15 -0.06 0.00 0.02 0.00 0.00 55.36 54.18 1cee s GLN 134 Cb 0.00 -2.35 0.01 0.00 1.00 0.00 0.00 33.01 31.66 1cee s GLN 134 CO 0.00 0.43 0.13 0.15 -2.12 0.00 0.00 175.29 173.88 1cee s LYS 135 N -3.16 0.32 0.32 2.91 1.02 -1.26 -2.26 119.74 117.64 1cee s LYS 135 Ca 0.29 -0.14 -0.17 0.00 0.02 0.00 0.00 55.97 55.96 1cee s LYS 135 Cb -0.09 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.27 1cee s LYS 135 CO 0.20 -0.07 0.78 -1.25 -0.92 0.00 0.00 175.35 174.09 1cee s PRO 136 N -0.72 4.11 -0.13 -1.68 0.04 -1.26 -3.78 135.00 131.58 1cee s PRO 136 Ca -0.08 0.81 -0.05 0.00 0.04 0.00 0.00 61.00 61.72 1cee s PRO 136 Cb -0.05 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1cee s PRO 136 CO 0.01 0.17 0.05 0.42 0.04 0.00 0.00 177.00 177.68 1cee s ILE 137 N -1.93 4.70 0.39 0.56 -1.09 0.15 -4.98 121.20 118.99 1cee s ILE 137 Ca 0.53 -0.09 -0.09 0.00 -2.23 0.00 0.00 60.65 58.78 1cee s ILE 137 Cb -0.11 -3.04 -0.06 0.00 -1.58 0.00 0.00 42.46 37.66 1cee s ILE 137 CO 0.17 0.56 0.73 0.42 -1.23 0.00 0.00 174.94 175.59 1cee s THR 138 N -0.43 4.84 0.33 2.92 -4.23 -1.26 -4.92 115.64 112.89 1cee s THR 138 Ca 0.09 0.48 0.06 0.00 -1.18 0.00 0.00 61.69 61.15 1cee s THR 138 Cb -0.12 -3.74 0.31 0.00 1.34 0.00 0.00 72.50 70.29 1cee s THR 138 CO 0.02 -0.50 1.87 -0.65 -0.54 0.00 0.00 174.62 174.82 1cee h PRO 139 N 1.29 0.78 -0.21 3.99 0.11 -1.99 0.60 132.00 136.57 1cee h PRO 139 Ca -0.47 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1cee h PRO 139 Cb 1.19 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1cee h PRO 139 CO 0.64 0.52 -0.31 0.93 -0.21 0.00 0.00 178.00 179.57 1cee h GLU 140 N 0.80 0.41 -0.09 1.05 5.08 -1.99 0.29 114.58 120.14 1cee h GLU 140 Ca 0.45 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1cee h GLU 140 Cb 0.59 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1cee h GLU 140 CO -0.21 0.68 -0.05 1.15 -1.00 0.00 0.00 179.01 179.58 1cee h THR 141 N 0.36 1.33 -0.36 1.13 2.02 -1.33 -2.74 112.91 113.33 1cee h THR 141 Ca 0.05 -1.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.07 1cee h THR 141 Cb 0.72 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1cee h THR 141 CO 0.06 0.31 -0.03 0.00 0.37 0.00 0.00 175.52 176.23 1cee h ALA 142 N 0.62 1.29 -0.30 6.16 0.00 -1.06 -2.67 119.26 123.30 1cee h ALA 142 Ca 0.02 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1cee h ALA 142 Cb 0.52 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1cee h ALA 142 CO 0.01 0.48 -0.12 1.49 0.00 0.00 0.00 179.25 181.11 1cee h GLU 143 N 0.54 -0.06 -0.74 0.00 4.81 -0.83 -0.99 114.58 117.30 1cee h GLU 143 Ca 0.11 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.48 1cee h GLU 143 Cb 0.39 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 29.64 1cee h GLU 143 CO 0.02 -0.04 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.77 1cee h LYS 144 N -0.07 -0.05 -0.45 1.92 3.64 -1.16 0.63 116.57 121.03 1cee h LYS 144 Ca 0.15 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1cee h LYS 144 Cb 0.30 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1cee h LYS 144 CO -0.35 -0.04 0.25 -0.07 -2.27 0.00 0.00 179.45 176.98 1cee h LEU 145 N -0.06 0.40 -2.55 5.20 3.38 -1.34 0.69 115.31 121.03 1cee h LEU 145 Ca 0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1cee h LEU 145 Cb 0.57 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1cee h LEU 145 CO -0.78 0.28 0.02 0.00 0.09 0.00 0.00 178.44 178.05 1cee h ALA 146 N 1.21 1.45 0.04 1.53 0.00 0.13 0.33 119.26 123.95 1cee h ALA 146 Ca 0.19 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.78 1cee h ALA 146 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1cee h ALA 146 CO -0.10 -0.03 -1.83 0.54 0.00 0.00 0.00 179.25 177.83 1cee n ARG 147 N -3.70 0.67 0.05 0.00 1.74 0.16 0.14 116.66 115.74 1cee n ARG 147 Ca -0.03 0.28 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 1cee n ARG 147 Cb 0.10 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 29.76 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 0.02 0.55 -0.40 0.55 1.82 0.13 -3.09 116.42 116.00 1cee h ASP 148 Ca -0.34 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 55.89 1cee h ASP 148 Cb 2.03 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.87 1cee h ASP 148 CO 0.08 1.19 0.00 0.18 -1.61 0.00 0.00 179.24 179.07 1cee n LEU 149 N -3.79 4.07 -1.90 2.28 4.77 0.11 -4.88 117.00 117.65 1cee n LEU 149 Ca -0.06 -2.06 -0.13 0.00 -0.03 0.00 0.00 56.01 53.73 1cee n LEU 149 Cb 0.79 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1cee n LEU 149 CO 0.50 0.52 -0.14 0.29 -1.33 0.00 0.00 177.39 177.23 1cee n LYS 150 N 0.47 -1.73 -1.66 3.23 4.76 -1.17 -4.86 118.16 117.20 1cee n LYS 150 Ca 0.19 0.70 -0.42 0.00 -2.87 0.00 0.00 58.31 55.90 1cee n LYS 150 Cb 0.85 -5.12 0.00 0.00 -1.84 0.00 0.00 35.03 28.92 1cee n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cee n ALA 151 N -0.85 0.76 -0.12 7.82 0.00 0.38 -4.74 120.51 123.75 1cee n ALA 151 Ca -0.14 0.30 0.14 0.00 0.00 0.00 0.00 53.44 53.74 1cee n ALA 151 Cb 0.52 -2.17 0.50 0.00 0.00 0.00 0.00 19.45 18.30 1cee n ALA 151 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1cee h VAL 152 N 2.05 0.85 0.00 0.00 -1.51 -1.65 -3.44 116.25 112.55 1cee h VAL 152 Ca -0.45 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1cee h VAL 152 Cb 1.31 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1cee h VAL 152 CO 0.60 0.08 0.00 0.29 -1.23 0.00 0.00 177.57 177.30 1cee n LYS 153 N -4.47 0.00 -2.69 5.19 4.76 -1.26 -5.05 118.16 114.63 1cee n LYS 153 Ca 0.12 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.14 1cee n LYS 153 Cb 0.45 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.60 1cee n LYS 153 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1cee s TYR 154 N -2.00 3.68 0.30 2.13 5.04 -1.26 -2.56 117.35 122.68 1cee s TYR 154 Ca 0.00 1.70 0.02 0.00 -2.44 0.00 0.00 57.07 56.35 1cee s TYR 154 Cb 0.00 -3.13 -0.05 0.00 0.35 0.00 0.00 41.96 39.14 1cee s TYR 154 CO 0.00 -0.05 0.10 0.14 -1.34 0.00 0.00 175.55 174.40 1cee s VAL 155 N 0.76 0.68 0.00 3.14 -7.23 0.83 -4.95 120.40 113.64 1cee s VAL 155 Ca 0.51 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 1cee s VAL 155 Cb -0.22 -2.62 0.03 0.00 0.56 0.00 0.00 36.38 34.13 1cee s VAL 155 CO 0.29 0.00 0.39 -1.83 -0.31 0.00 0.00 175.10 173.64 1cee s GLU 156 N -3.92 0.81 -0.29 4.82 1.03 -1.26 -1.09 118.70 118.80 1cee s GLU 156 Ca 0.36 -0.20 -0.17 0.00 0.03 0.00 0.00 54.97 54.99 1cee s GLU 156 Cb 0.07 0.36 0.13 0.00 -0.80 0.00 0.00 34.13 33.89 1cee s GLU 156 CO 0.15 -0.25 0.90 0.00 -1.33 0.00 0.00 175.26 174.73 1cee s SER 158 N 1.34 2.16 0.60 0.00 0.15 -1.02 -4.42 113.70 112.52 1cee s SER 158 Ca -0.08 -0.43 0.39 0.00 0.70 0.00 0.00 55.95 56.52 1cee s SER 158 Cb -0.04 -0.43 1.90 0.00 -1.71 0.00 0.00 66.02 65.74 1cee s SER 158 CO -0.15 -0.27 2.17 0.00 1.20 0.00 0.00 173.24 176.19 1cee h ALA 159 N 8.33 1.00 0.43 5.45 0.00 -1.90 1.28 119.26 133.84 1cee h ALA 159 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 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 0.28 0.00 -0.21 1.25 0.00 0.00 0.00 179.25 180.57 1cee h LEU 160 N 0.00 -0.49 0.00 0.00 7.12 -1.95 -3.31 115.31 116.68 1cee h LEU 160 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1cee h LEU 160 Cb 0.24 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1cee h LEU 160 CO 0.00 -0.31 -1.01 0.41 -0.13 0.00 0.00 178.44 177.40 1cee n THR 161 N -5.32 0.00 -1.07 1.05 -1.04 -1.12 -4.99 114.28 101.79 1cee n THR 161 Ca -0.11 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.05 61.65 1cee n THR 161 Cb 0.26 0.72 -0.01 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 -1.56 -0.23 -1.99 -2.82 6.02 0.44 -4.97 117.38 112.27 1cee n GLN 162 Ca 0.01 0.50 -0.43 0.00 -0.01 0.00 0.00 57.00 57.07 1cee n GLN 162 Cb 0.28 -4.05 -0.03 0.00 1.02 0.00 0.00 30.24 27.46 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 -1.87 3.55 -1.40 -1.09 2.47 -1.15 -2.33 119.74 117.92 1cee s LYS 163 Ca 0.00 1.66 0.00 0.00 -1.56 0.00 0.00 55.97 56.07 1cee s LYS 163 Cb 0.00 -4.15 0.00 0.00 -1.46 0.00 0.00 37.83 32.22 1cee s LYS 163 CO 0.00 -1.60 0.00 0.41 0.16 0.00 0.00 175.35 174.32 1cee n GLY 164 N 5.10 1.26 0.33 5.54 0.00 -1.26 -2.42 105.19 113.74 1cee n GLY 164 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1cee n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cee h LEU 165 N 0.00 0.96 0.00 0.99 7.12 -1.61 -1.61 115.31 121.15 1cee h LEU 165 Ca -0.27 -0.01 -0.09 0.00 0.13 0.00 0.00 57.88 57.64 1cee h LEU 165 Cb 1.21 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 1cee h LEU 165 CO 0.40 0.67 -0.66 0.50 -0.13 0.00 0.00 178.44 179.22 1cee h LYS 166 N 1.13 0.00 -0.83 1.25 3.64 -1.87 -3.39 116.57 116.49 1cee h LYS 166 Ca 0.34 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.92 1cee h LYS 166 Cb -0.04 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.66 1cee h LYS 166 CO -0.10 0.51 0.26 -0.91 -2.27 0.00 0.00 179.45 176.93 1cee h ASN 167 N -1.00 0.10 -0.92 4.20 2.35 -1.91 0.10 115.58 118.50 1cee h ASN 167 Ca -0.13 0.17 0.24 0.00 -0.55 0.00 0.00 56.30 56.03 1cee h ASN 167 Cb 0.80 0.20 -0.13 0.00 0.05 0.00 0.00 38.32 39.25 1cee h ASN 167 CO -0.08 -0.07 0.41 1.62 -1.65 0.00 0.00 177.43 177.66 1cee h VAL 168 N 0.29 0.41 0.00 2.81 3.04 -1.46 0.42 116.25 121.76 1cee h VAL 168 Ca 0.50 -0.12 -0.19 0.00 -1.01 0.00 0.00 66.70 65.88 1cee h VAL 168 Cb 0.95 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 1cee h VAL 168 CO -0.57 0.07 -0.87 -0.26 -1.01 0.00 0.00 177.57 174.93 1cee h PHE 169 N 0.36 0.24 0.00 3.17 0.04 -1.18 -2.90 116.94 116.67 1cee h PHE 169 Ca 0.60 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 61.23 1cee h PHE 169 Cb 1.20 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.32 1cee h PHE 169 CO -0.13 0.95 -0.03 -0.44 -0.60 0.00 0.00 178.31 178.06 1cee h ASP 170 N 0.09 0.00 0.38 2.17 5.19 0.28 -1.63 116.42 122.90 1cee h ASP 170 Ca -0.04 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.06 1cee h ASP 170 Cb 1.50 0.00 0.03 0.00 0.18 0.00 0.00 39.33 41.03 1cee h ASP 170 CO 0.13 0.03 -1.38 -0.33 -3.12 0.00 0.00 179.24 174.56 1cee h GLU 171 N 0.00 0.46 0.33 3.56 5.08 -1.06 -3.11 114.58 119.84 1cee h GLU 171 Ca -0.00 -0.76 -0.01 0.00 -1.00 0.00 0.00 59.36 57.58 1cee h GLU 171 Cb 0.05 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1cee h GLU 171 CO 0.00 1.36 -0.27 0.00 -1.00 0.00 0.00 179.01 179.11 1cee h ALA 172 N 0.31 -1.02 -0.64 3.43 0.00 -1.11 0.22 119.26 120.46 1cee h ALA 172 Ca -0.21 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.71 1cee h ALA 172 Cb 2.09 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 20.21 1cee h ALA 172 CO 0.25 -1.02 -0.24 0.82 0.00 0.00 0.00 179.25 179.06 1cee h ILE 173 N -0.59 0.26 -0.90 0.00 2.04 -1.62 1.64 117.51 118.33 1cee h ILE 173 Ca -0.04 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.07 1cee h ILE 173 Cb 0.49 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1cee h ILE 173 CO 0.00 0.00 0.64 0.25 0.00 0.00 0.00 178.15 179.04 1cee h LEU 174 N -0.07 0.09 0.02 1.44 5.85 -1.43 0.14 115.31 121.35 1cee h LEU 174 Ca 0.29 0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.79 1cee h LEU 174 Cb 0.52 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1cee h LEU 174 CO -0.69 0.03 -1.21 0.00 -0.34 0.00 0.00 178.44 176.23 1cee h ALA 175 N 1.56 0.25 -0.72 1.25 0.00 0.37 -3.38 119.26 118.59 1cee h ALA 175 Ca 0.44 -1.15 0.14 0.00 0.00 0.00 0.00 54.91 54.33 1cee h ALA 175 Cb 1.62 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.97 1cee h ALA 175 CO -0.05 0.69 0.26 0.00 0.00 0.00 0.00 179.25 180.15 1cee h ALA 176 N -0.37 0.97 -3.11 0.00 0.00 0.26 -3.42 119.26 113.59 1cee h ALA 176 Ca -0.32 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1cee h ALA 176 Cb 1.36 0.11 0.05 0.00 0.00 0.00 0.00 17.79 19.32 1cee h ALA 176 CO -0.15 -0.24 0.03 1.28 0.00 0.00 0.00 179.25 180.18 1cee n LEU 177 N -5.04 0.00 -3.60 0.00 4.77 0.43 -4.76 117.00 108.80 1cee n LEU 177 Ca 0.13 -0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 1cee n LEU 177 Cb 0.39 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1cee n LEU 177 CO 0.18 -1.30 0.36 -1.83 -1.33 0.00 0.00 177.39 173.46 1cee s GLU 178 N -3.67 1.38 0.00 3.23 -1.05 -1.26 -4.98 118.70 112.34 1cee s GLU 178 Ca 0.19 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1cee s GLU 178 Cb -0.02 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1cee s GLU 178 CO 0.15 -0.60 0.17 -0.35 0.95 0.00 0.00 175.26 175.58