#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1for s ILE 2 N 0.00 4.47 -0.20 5.09 1.01 -1.26 -5.00 121.20 125.31 1for s ILE 2 Ca 0.00 1.74 -0.14 0.00 0.00 0.00 0.00 60.65 62.26 1for s ILE 2 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1for s ILE 2 CO 0.00 -0.29 0.29 -0.69 0.00 0.00 0.00 174.94 174.25 1for s VAL 3 N 3.55 5.28 -0.35 2.92 1.01 -1.26 -4.79 120.40 126.76 1for s VAL 3 Ca 0.48 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.85 1for s VAL 3 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1for s VAL 3 CO 0.13 0.32 0.21 -0.76 0.00 0.00 0.00 175.10 175.00 1for s LEU 4 N 0.98 4.51 -0.22 3.92 1.43 -1.26 -3.05 118.68 125.00 1for s LEU 4 Ca 0.15 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 1for s LEU 4 Cb -0.14 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1for s LEU 4 CO 0.05 -0.29 0.36 -0.89 0.23 0.00 0.00 176.35 175.81 1for s THR 5 N 1.64 5.22 -0.19 5.49 2.01 -0.25 -3.22 115.64 126.34 1for s THR 5 Ca 0.04 0.60 -0.08 0.00 0.31 0.00 0.00 61.69 62.57 1for s THR 5 Cb -0.18 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1for s THR 5 CO 0.08 0.25 0.08 -1.10 -0.69 0.00 0.00 174.62 173.24 1for s GLN 6 N 1.38 3.98 -0.05 4.92 -0.21 -1.26 -2.06 119.66 126.35 1for s GLN 6 Ca 0.17 -0.34 0.03 0.00 0.02 0.00 0.00 55.36 55.24 1for s GLN 6 Cb -0.15 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 30.60 1for s GLN 6 CO 0.08 0.23 -0.14 -1.12 -2.12 0.00 0.00 175.29 172.22 1for s SER 7 N 0.51 1.84 0.56 5.90 0.01 -0.88 -4.06 113.70 117.58 1for s SER 7 Ca 0.04 -0.30 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 1for s SER 7 Cb -0.13 -0.69 0.01 0.00 0.21 0.00 0.00 66.02 65.42 1for s SER 7 CO 0.01 0.08 0.85 -2.16 0.41 0.00 0.00 173.24 172.43 1for s PRO 8 N 0.38 2.96 0.41 12.44 0.04 -1.26 -1.84 135.00 148.14 1for s PRO 8 Ca -0.10 -0.10 0.20 0.00 0.04 0.00 0.00 61.00 61.04 1for s PRO 8 Cb -0.13 -2.33 0.89 0.00 0.04 0.00 0.00 34.50 32.96 1for s PRO 8 CO 0.03 -0.60 1.84 0.00 0.04 0.00 0.00 177.00 178.31 1for h ALA 9 N -0.05 1.14 -2.02 8.56 0.00 -1.80 -3.41 119.26 121.68 1for h ALA 9 Ca -0.46 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1for h ALA 9 Cb 1.25 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 1for h ALA 9 CO 0.60 0.38 0.16 -1.50 0.00 0.00 0.00 179.25 178.89 1for s ILE 10 N -3.86 0.00 -0.03 0.00 2.07 -1.26 -2.67 121.20 115.44 1for s ILE 10 Ca -0.01 -0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 58.93 1for s ILE 10 Cb 0.12 -0.99 0.10 0.00 0.13 0.00 0.00 42.46 41.83 1for s ILE 10 CO 0.67 -0.01 0.88 0.00 -1.91 0.00 0.00 174.94 174.57 1for s MET 11 N -0.90 0.81 0.12 3.50 0.23 -0.59 -4.94 119.30 117.53 1for s MET 11 Ca -0.09 -0.19 0.07 0.00 -1.03 0.00 0.00 55.69 54.46 1for s MET 11 Cb -0.01 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.63 1for s MET 11 CO 0.08 -0.33 -0.18 -1.54 -2.03 0.00 0.00 175.02 171.02 1for s SER 12 N -2.15 2.36 -0.10 -1.18 1.04 -1.26 -0.32 113.70 112.09 1for s SER 12 Ca 0.03 -0.75 -0.10 0.00 0.48 0.00 0.00 55.95 55.60 1for s SER 12 Cb -0.01 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1for s SER 12 CO -0.06 -0.03 0.28 0.00 0.98 0.00 0.00 173.24 174.41 1for s ALA 13 N -1.63 -0.69 0.46 5.32 0.00 -0.49 -4.91 121.76 119.81 1for s ALA 13 Ca 0.09 0.74 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 1for s ALA 13 Cb -0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.53 1for s ALA 13 CO 0.04 -0.14 1.00 -0.06 0.00 0.00 0.00 175.76 176.60 1for s PHE 14 N 0.02 3.14 0.37 0.00 0.08 -1.26 -1.08 117.98 119.25 1for s PHE 14 Ca -0.01 1.59 -0.28 0.00 0.12 0.00 0.00 56.93 58.35 1for s PHE 14 Cb -0.02 -2.98 -0.11 0.00 -0.57 0.00 0.00 43.02 39.34 1for s PHE 14 CO 0.01 -0.52 1.43 -1.25 -0.10 0.00 0.00 175.22 174.79 1for s PRO 15 N -3.18 4.16 0.00 0.24 0.04 -1.26 -2.32 135.00 132.68 1for s PRO 15 Ca 0.65 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.15 1for s PRO 15 Cb -0.14 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1for s PRO 15 CO 0.17 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1for n GLY 16 N 0.55 2.98 3.84 0.56 0.00 -0.37 -4.88 105.19 107.87 1for n GLY 16 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1for n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1for s GLU 17 N -0.68 3.48 -0.20 1.61 2.02 -0.98 -4.35 118.70 119.60 1for s GLU 17 Ca 0.00 0.93 -0.13 0.00 0.02 0.00 0.00 54.97 55.80 1for s GLU 17 Cb 0.00 -2.06 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 1for s GLU 17 CO 0.00 -0.66 0.25 0.21 0.02 0.00 0.00 175.26 175.08 1for s LYS 18 N -4.66 4.17 -0.05 1.61 2.20 -1.23 0.37 119.74 122.15 1for s LYS 18 Ca 0.58 -0.05 0.03 0.00 -0.36 0.00 0.00 55.97 56.18 1for s LYS 18 Cb -0.12 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1for s LYS 18 CO 0.45 0.13 -0.13 0.08 -0.36 0.00 0.00 175.35 175.52 1for s VAL 19 N 0.84 3.20 -0.23 4.02 1.01 -0.62 -4.98 120.40 123.64 1for s VAL 19 Ca 0.13 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1for s VAL 19 Cb -0.13 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.06 1for s VAL 19 CO 0.04 0.59 0.09 -0.89 0.00 0.00 0.00 175.10 174.93 1for s THR 20 N -0.75 0.20 0.08 3.92 2.01 -1.26 -1.23 115.64 118.60 1for s THR 20 Ca 0.12 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1for s THR 20 Cb -0.11 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1for s THR 20 CO 0.01 -0.43 0.35 -0.63 -0.69 0.00 0.00 174.62 173.23 1for s ILE 21 N 1.99 5.18 0.07 1.82 1.01 -0.22 -4.86 121.20 126.19 1for s ILE 21 Ca 0.04 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.00 1for s ILE 21 Cb -0.16 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1for s ILE 21 CO -0.18 0.24 -0.19 0.42 0.00 0.00 0.00 174.94 175.23 1for s THR 22 N -1.45 1.52 -0.07 2.92 -4.23 -0.77 -0.76 115.64 112.80 1for s THR 22 Ca 0.34 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1for s THR 22 Cb -0.13 -1.37 0.01 0.00 1.34 0.00 0.00 72.50 72.35 1for s THR 22 CO 0.20 -0.01 -0.13 0.00 -0.54 0.00 0.00 174.62 174.13 1for s SER 24 N 0.72 1.26 0.34 0.00 1.04 -0.88 -1.47 113.70 114.72 1for s SER 24 Ca -0.13 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.18 1for s SER 24 Cb -0.16 -0.52 -0.02 0.00 0.10 0.00 0.00 66.02 65.42 1for s SER 24 CO 0.03 -0.08 0.51 0.00 0.98 0.00 0.00 173.24 174.68 1for s ALA 25 N 1.16 3.94 -0.91 5.32 0.00 -0.02 -1.09 121.76 130.16 1for s ALA 25 Ca -0.07 -1.20 0.28 0.00 0.00 0.00 0.00 51.96 50.97 1for s ALA 25 Cb -0.14 -1.89 1.10 0.00 0.00 0.00 0.00 23.12 22.19 1for s ALA 25 CO -0.01 -0.04 1.88 0.25 0.00 0.00 0.00 175.76 177.83 1for n THR 26 N -1.72 0.20 -3.61 0.00 -2.24 -1.17 -4.80 114.28 100.94 1for n THR 26 Ca -0.03 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1for n THR 26 Cb 0.57 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 1for n THR 26 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1for s SER 27 N -3.51 -0.44 0.24 3.42 0.01 -1.26 -5.04 113.70 107.11 1for s SER 27 Ca 0.13 0.34 -0.28 0.00 1.31 0.00 0.00 55.95 57.45 1for s SER 27 Cb 0.17 0.46 -0.16 0.00 0.21 0.00 0.00 66.02 66.70 1for s SER 27 CO 0.55 -0.60 0.69 -0.24 0.41 0.00 0.00 173.24 174.05 1for n SER 28 N 0.83 -0.36 -4.06 2.44 2.88 -1.26 -4.65 113.62 109.45 1for n SER 28 Ca -0.19 1.14 -0.14 0.00 -1.33 0.00 0.00 58.87 58.35 1for n SER 28 Cb 0.58 -1.07 -0.12 0.00 -0.75 0.00 0.00 64.21 62.85 1for n SER 28 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1for s VAL 29 N -1.03 0.58 0.23 2.46 1.01 0.51 -4.95 120.40 119.21 1for s VAL 29 Ca 0.62 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1for s VAL 29 Cb -0.84 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.86 1for s VAL 29 CO 0.57 -0.28 1.53 0.78 0.00 0.00 0.00 175.10 177.71 1for h ASN 30 N 4.74 0.24 -4.98 3.32 -0.26 -1.91 -3.33 115.58 113.41 1for h ASN 30 Ca -0.35 -0.15 0.23 0.00 -0.56 0.00 0.00 56.30 55.47 1for h ASN 30 Cb 1.20 -0.07 -0.14 0.00 -1.06 0.00 0.00 38.32 38.25 1for h ASN 30 CO 0.42 0.83 0.68 -0.72 -1.06 0.00 0.00 177.43 177.58 1for s TYR 31 N -3.65 -0.15 0.02 1.19 -0.85 -1.26 -4.95 117.35 107.69 1for s TYR 31 Ca -0.04 0.02 0.05 0.00 -0.52 0.00 0.00 57.07 56.58 1for s TYR 31 Cb 0.12 0.55 -0.02 0.00 0.38 0.00 0.00 41.96 42.99 1for s TYR 31 CO 0.80 -0.43 -0.15 -1.64 -1.52 0.00 0.00 175.55 172.61 1for s MET 32 N -2.76 1.08 0.26 -3.49 -1.94 -1.26 -4.58 119.30 106.62 1for s MET 32 Ca 0.10 -0.69 0.07 0.00 -1.71 0.00 0.00 55.69 53.47 1for s MET 32 Cb 0.01 -1.09 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 1for s MET 32 CO -0.04 0.28 0.17 -1.01 -0.01 0.00 0.00 175.02 174.41 1for s HIS 33 N -0.65 3.03 -0.00 -0.03 3.76 -0.81 -0.54 115.29 120.05 1for s HIS 33 Ca 0.04 -0.14 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 1for s HIS 33 Cb -0.07 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 1for s HIS 33 CO 0.01 0.51 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.73 1for s TRP 34 N -2.18 0.87 0.20 1.40 0.52 0.27 -0.85 118.94 119.16 1for s TRP 34 Ca 0.33 -0.18 0.08 0.00 0.02 0.00 0.00 56.10 56.35 1for s TRP 34 Cb -0.07 -0.55 -0.04 0.00 -1.15 0.00 0.00 33.47 31.65 1for s TRP 34 CO 0.24 -0.01 -0.16 -0.06 0.02 0.00 0.00 176.95 176.98 1for s PHE 35 N -0.29 1.78 -0.04 -1.98 0.40 0.06 0.03 117.98 117.94 1for s PHE 35 Ca 0.03 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1for s PHE 35 Cb -0.04 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.65 1for s PHE 35 CO -0.00 0.37 -0.14 -1.14 0.70 0.00 0.00 175.22 175.01 1for s GLN 36 N -3.33 1.52 -0.23 0.44 0.74 -0.75 -1.44 119.66 116.61 1for s GLN 36 Ca 0.20 -0.48 -0.03 0.00 0.05 0.00 0.00 55.36 55.11 1for s GLN 36 Cb -0.03 -1.33 0.07 0.00 1.10 0.00 0.00 33.01 32.83 1for s GLN 36 CO 0.07 0.17 0.06 -1.14 -0.55 0.00 0.00 175.29 173.90 1for s GLN 37 N 0.19 0.60 0.31 1.67 0.74 0.61 -1.71 119.66 122.08 1for s GLN 37 Ca -0.05 -0.57 -0.27 0.00 0.05 0.00 0.00 55.36 54.51 1for s GLN 37 Cb -0.11 -1.98 -0.09 0.00 1.10 0.00 0.00 33.01 31.92 1for s GLN 37 CO 0.02 -0.76 1.00 0.15 -0.55 0.00 0.00 175.29 175.15 1for s LYS 38 N 1.84 4.58 -0.01 1.67 1.02 -1.26 -2.51 119.74 125.06 1for s LYS 38 Ca 0.02 1.51 -0.38 0.00 0.02 0.00 0.00 55.97 57.15 1for s LYS 38 Cb -0.17 -2.95 -0.16 0.00 -0.52 0.00 0.00 37.83 34.03 1for s LYS 38 CO -0.15 0.23 1.45 -0.35 -0.92 0.00 0.00 175.35 175.61 1for n PRO 39 N 0.79 1.15 -0.70 -1.68 -0.04 -1.26 -2.43 135.00 130.84 1for n PRO 39 Ca 0.01 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1for n PRO 39 Cb 0.48 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1for n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1for n GLY 40 N 2.95 0.61 3.24 0.55 0.00 -1.26 -5.06 105.19 106.22 1for n GLY 40 Ca 0.20 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 1for n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1for s THR 41 N -2.00 0.05 0.23 2.61 -4.23 -1.02 -5.14 115.64 106.14 1for s THR 41 Ca 0.00 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.24 1for s THR 41 Cb 0.00 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.24 1for s THR 41 CO 0.00 0.00 0.87 -0.94 -0.54 0.00 0.00 174.62 174.01 1for s SER 42 N -3.24 7.47 0.81 3.99 1.04 -1.26 -4.77 113.70 117.75 1for s SER 42 Ca 0.39 1.80 -0.14 0.00 0.48 0.00 0.00 55.95 58.48 1for s SER 42 Cb 0.06 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.66 1for s SER 42 CO 0.16 0.13 0.84 -2.65 0.98 0.00 0.00 173.24 172.70 1for n PRO 43 N 1.31 0.11 -4.36 4.02 -0.02 -1.26 -4.85 135.00 129.94 1for n PRO 43 Ca -0.03 0.10 -0.27 0.00 -2.02 0.00 0.00 63.50 61.28 1for n PRO 43 Cb 0.48 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 1for n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1for s LYS 44 N -3.62 1.31 0.01 -0.52 1.02 -0.69 -4.95 119.74 112.30 1for s LYS 44 Ca 0.68 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 1for s LYS 44 Cb -0.29 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1for s LYS 44 CO 0.56 0.41 1.13 -1.17 -0.92 0.00 0.00 175.35 175.36 1for s LEU 45 N -1.99 4.34 -0.15 3.17 2.96 -1.26 -1.81 118.68 123.95 1for s LEU 45 Ca 0.11 1.86 -0.07 0.00 -0.22 0.00 0.00 54.13 55.81 1for s LEU 45 Cb -0.10 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1for s LEU 45 CO 0.05 -0.44 -0.18 1.87 -1.32 0.00 0.00 176.35 176.33 1for n TRP 46 N 4.24 0.00 -3.69 5.38 -0.00 0.10 -4.74 117.44 118.73 1for n TRP 46 Ca 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 57.50 57.41 1for n TRP 46 Cb 0.48 -0.53 -0.17 0.00 -0.00 0.00 0.00 31.31 31.09 1for n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1for s ILE 47 N -2.27 -0.13 0.01 5.87 1.01 -0.98 -1.25 121.20 123.46 1for s ILE 47 Ca -0.20 0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1for s ILE 47 Cb 0.08 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.33 1for s ILE 47 CO 0.26 0.15 0.07 -0.72 0.00 0.00 0.00 174.94 174.70 1for s TYR 48 N 1.93 3.24 -1.30 3.97 1.13 0.77 -0.56 117.35 126.52 1for s TYR 48 Ca 0.01 0.17 -0.08 0.00 -1.41 0.00 0.00 57.07 55.76 1for s TYR 48 Cb -0.12 -1.71 -0.00 0.00 -1.10 0.00 0.00 41.96 39.02 1for s TYR 48 CO -0.04 0.53 0.59 0.45 -2.51 0.00 0.00 175.55 174.58 1for n SER 49 N 1.13 -2.19 0.00 -0.18 2.88 -1.23 -1.43 113.62 112.60 1for n SER 49 Ca -0.13 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 1for n SER 49 Cb 0.53 -3.32 0.00 0.00 -0.75 0.00 0.00 64.21 60.67 1for n SER 49 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1for n SER 50 N -2.88 0.00 0.00 -3.46 7.64 0.30 -4.09 113.62 111.12 1for n SER 50 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1for n SER 50 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1for n SER 50 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1for n SER 51 N 1.19 0.45 -4.60 6.43 3.41 -1.23 -3.23 113.62 116.06 1for n SER 51 Ca 0.00 -1.01 -0.41 0.00 -0.26 0.00 0.00 58.87 57.19 1for n SER 51 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1for n SER 51 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1for s ASN 52 N -0.01 6.52 0.33 4.04 0.01 -0.52 -4.69 114.94 120.62 1for s ASN 52 Ca 0.00 0.41 -0.29 0.00 -0.71 0.00 0.00 52.86 52.27 1for s ASN 52 Cb 0.00 -2.35 -0.10 0.00 0.41 0.00 0.00 41.25 39.21 1for s ASN 52 CO 0.00 -0.54 1.30 -0.76 -1.51 0.00 0.00 177.10 175.58 1for s LEU 53 N 2.72 4.43 0.00 0.60 1.43 -1.26 -0.17 118.68 126.44 1for s LEU 53 Ca 0.27 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1for s LEU 53 Cb -0.15 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1for s LEU 53 CO 0.13 -0.51 0.00 0.00 0.23 0.00 0.00 176.35 176.19 1for n ALA 54 N 0.83 0.00 -2.67 4.21 0.00 -0.38 -4.80 120.51 117.70 1for n ALA 54 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1for n ALA 54 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1for n ALA 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1for s SER 55 N -1.27 6.98 0.00 0.00 0.15 -1.26 -3.93 113.70 114.37 1for s SER 55 Ca 0.00 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1for s SER 55 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1for s SER 55 CO 0.00 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1for n GLY 56 N 3.44 0.78 3.72 9.45 0.00 -1.26 -5.05 105.19 116.26 1for n GLY 56 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1for n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1for s VAL 57 N -2.89 5.05 0.95 1.61 -7.23 -1.25 -5.04 120.40 111.59 1for s VAL 57 Ca 0.00 1.43 -0.11 0.00 -1.81 0.00 0.00 61.98 61.49 1for s VAL 57 Cb 0.00 -4.03 0.16 0.00 0.56 0.00 0.00 36.38 33.06 1for s VAL 57 CO 0.00 0.25 1.06 -0.81 -0.31 0.00 0.00 175.10 175.29 1for n PRO 58 N 3.80 -0.69 0.00 4.82 -0.04 -1.26 -4.92 135.00 136.70 1for n PRO 58 Ca -0.01 -0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.37 1for n PRO 58 Cb 0.51 -2.31 0.32 0.00 -0.04 0.00 0.00 33.50 31.99 1for n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1for n ALA 59 N -4.30 1.73 0.50 0.55 0.00 -1.26 -2.96 120.51 114.77 1for n ALA 59 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1for n ALA 59 Cb 0.52 -1.22 0.46 0.00 0.00 0.00 0.00 19.45 19.22 1for n ALA 59 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1for n ARG 60 N -1.34 0.21 -3.45 0.00 1.85 -1.26 -4.80 116.66 107.87 1for n ARG 60 Ca 0.05 0.33 -0.35 0.00 -1.00 0.00 0.00 57.85 56.89 1for n ARG 60 Cb 0.12 -1.83 -0.06 0.00 -1.05 0.00 0.00 32.46 29.64 1for n ARG 60 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1for s PHE 61 N -3.22 3.58 -0.07 2.89 0.08 -1.16 -1.10 117.98 118.99 1for s PHE 61 Ca 0.07 0.93 -0.31 0.00 0.12 0.00 0.00 56.93 57.74 1for s PHE 61 Cb 0.11 -2.27 0.08 0.00 -0.57 0.00 0.00 43.02 40.36 1for s PHE 61 CO 0.47 0.45 0.72 -1.54 -0.10 0.00 0.00 175.22 175.23 1for s SER 62 N -1.80 -0.62 0.31 1.36 1.04 -0.24 -4.98 113.70 108.77 1for s SER 62 Ca 0.37 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.51 1for s SER 62 Cb -0.14 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 1for s SER 62 CO 0.19 -0.57 0.11 -0.83 0.98 0.00 0.00 173.24 173.12 1for s GLY 63 N -1.15 2.03 0.00 7.32 0.00 -1.25 -0.37 107.32 113.90 1for s GLY 63 Ca -0.10 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1for s GLY 63 CO 0.09 -1.67 0.00 -1.14 0.00 0.00 0.00 173.10 170.37 1for n SER 64 N -0.77 0.00 0.00 1.64 3.41 -1.06 -4.51 113.62 112.33 1for n SER 64 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1for n SER 64 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1for n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1for n GLY 65 N -0.18 0.25 3.60 5.00 0.00 -1.26 -0.75 105.19 111.85 1for n GLY 65 Ca 0.00 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.39 1for n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1for s SER 66 N 0.00 -0.19 1.00 1.61 1.04 -0.64 -4.95 113.70 111.58 1for s SER 66 Ca 0.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1for s SER 66 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1for s SER 66 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1for n GLY 67 N 0.28 1.25 0.04 7.32 0.00 -1.25 -2.98 105.19 109.85 1for n GLY 67 Ca -0.03 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1for n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1for n THR 68 N 0.00 0.49 -4.26 2.61 -2.24 -1.26 -0.36 114.28 109.26 1for n THR 68 Ca 0.00 -0.38 -0.34 0.00 -2.27 0.00 0.00 64.05 61.06 1for n THR 68 Cb 0.00 -0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 1for n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1for s SER 69 N -3.95 5.13 0.06 3.42 0.01 -1.16 -0.84 113.70 116.38 1for s SER 69 Ca -0.05 -0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.18 1for s SER 69 Cb 0.04 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 1for s SER 69 CO 0.43 0.19 -0.04 -0.31 0.41 0.00 0.00 173.24 173.91 1for s TYR 70 N 0.27 0.59 0.13 2.43 1.51 -0.55 -1.62 117.35 120.11 1for s TYR 70 Ca -0.00 -0.98 -0.13 0.00 -1.01 0.00 0.00 57.07 54.95 1for s TYR 70 Cb -0.13 -0.40 0.02 0.00 -0.11 0.00 0.00 41.96 41.33 1for s TYR 70 CO 0.02 -0.30 0.35 -1.54 -1.11 0.00 0.00 175.55 172.97 1for s SER 71 N -2.79 -0.11 -0.01 2.29 1.04 0.07 -0.77 113.70 113.41 1for s SER 71 Ca 0.06 -0.50 0.08 0.00 0.48 0.00 0.00 55.95 56.07 1for s SER 71 Cb 0.05 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 1for s SER 71 CO -0.08 -0.86 -0.26 -0.22 0.98 0.00 0.00 173.24 172.81 1for s LEU 72 N -2.85 2.07 0.00 2.42 0.20 0.06 -2.56 118.68 118.02 1for s LEU 72 Ca 0.06 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.41 1for s LEU 72 Cb 0.02 -1.34 -0.01 0.00 -0.43 0.00 0.00 46.19 44.44 1for s LEU 72 CO -0.09 0.31 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.36 1for s THR 73 N -0.63 0.25 -0.17 3.68 2.01 0.51 -1.06 115.64 120.23 1for s THR 73 Ca 0.10 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1for s THR 73 Cb -0.10 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.19 1for s THR 73 CO -0.01 -0.01 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.09 1for s ILE 74 N -0.28 1.97 0.07 1.82 1.01 -0.37 -1.08 121.20 124.35 1for s ILE 74 Ca -0.01 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.48 1for s ILE 74 Cb -0.03 -1.79 -0.17 0.00 0.01 0.00 0.00 42.46 40.49 1for s ILE 74 CO -0.00 0.53 1.65 0.77 0.00 0.00 0.00 174.94 177.89 1for h SER 75 N 7.94 -0.36 -3.23 3.58 4.64 -1.41 -1.65 113.55 123.05 1for h SER 75 Ca -0.44 -0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 60.40 1for h SER 75 Cb 1.14 0.09 -0.39 0.00 -0.31 0.00 0.00 62.40 62.93 1for h SER 75 CO 0.62 -0.24 -0.76 -0.13 -0.87 0.00 0.00 176.83 175.45 1for s ARG 76 N -6.01 0.51 0.51 4.77 0.52 -1.25 -3.49 118.95 114.50 1for s ARG 76 Ca -0.15 -0.17 -0.21 0.00 -0.52 0.00 0.00 55.73 54.68 1for s ARG 76 Cb 0.05 -1.64 -0.08 0.00 0.52 0.00 0.00 34.95 33.79 1for s ARG 76 CO 0.64 -0.53 0.92 -0.12 0.02 0.00 0.00 175.30 176.23 1for n MET 77 N 5.13 1.07 -3.83 3.54 0.00 0.16 -4.64 117.12 118.55 1for n MET 77 Ca -0.08 0.40 -0.12 0.00 -0.00 0.00 0.00 57.70 57.90 1for n MET 77 Cb 0.48 -2.04 -0.11 0.00 0.00 0.00 0.00 33.22 31.56 1for n MET 77 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1for s GLU 78 N -2.29 0.39 0.27 2.12 2.02 -1.26 -1.24 118.70 118.71 1for s GLU 78 Ca 0.68 -0.08 -0.03 0.00 0.02 0.00 0.00 54.97 55.56 1for s GLU 78 Cb -0.49 0.17 0.57 0.00 0.10 0.00 0.00 34.13 34.49 1for s GLU 78 CO 0.53 -0.08 1.61 0.00 0.02 0.00 0.00 175.26 177.34 1for h ALA 79 N 4.93 0.97 0.00 5.21 0.00 -1.97 -0.13 119.26 128.28 1for h ALA 79 Ca -0.28 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1for h ALA 79 Cb 1.19 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1for h ALA 79 CO 0.39 -0.47 0.00 -0.85 0.00 0.00 0.00 179.25 178.32 1for n GLU 80 N -5.38 0.49 -0.01 0.00 0.28 -1.26 -2.57 120.64 112.19 1for n GLU 80 Ca 0.18 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.31 1for n GLU 80 Cb 0.59 -1.48 0.50 0.00 1.43 0.00 0.00 31.44 32.48 1for n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1for n ASP 81 N -0.98 1.56 -4.64 -1.84 8.00 -0.06 -4.88 116.55 113.71 1for n ASP 81 Ca 0.11 -1.53 -0.43 0.00 0.71 0.00 0.00 54.79 53.65 1for n ASP 81 Cb 0.05 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1for n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1for s ALA 82 N -1.98 3.47 -0.04 2.24 0.00 -1.06 -4.93 121.76 119.46 1for s ALA 82 Ca 0.37 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 1for s ALA 82 Cb 0.21 -3.72 0.05 0.00 0.00 0.00 0.00 23.12 19.65 1for s ALA 82 CO 0.33 -1.56 0.64 0.00 0.00 0.00 0.00 175.76 175.17 1for n ALA 83 N 7.29 -1.84 -2.81 0.00 0.00 -1.21 -4.86 120.51 117.09 1for n ALA 83 Ca 0.15 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 1for n ALA 83 Cb 0.46 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1for n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1for s THR 84 N -2.02 5.29 -0.17 0.00 2.01 -1.04 -1.62 115.64 118.09 1for s THR 84 Ca 0.15 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1for s THR 84 Cb -0.00 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1for s THR 84 CO -0.01 0.54 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.03 1for s TYR 85 N -0.39 2.85 -0.07 4.92 1.51 -0.53 -0.29 117.35 125.36 1for s TYR 85 Ca 0.11 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 1for s TYR 85 Cb -0.12 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1for s TYR 85 CO 0.01 -0.46 -0.09 0.71 -1.11 0.00 0.00 175.55 174.62 1for s TYR 86 N 0.95 2.87 -0.03 2.71 2.02 -0.52 -2.91 117.35 122.43 1for s TYR 86 Ca -0.02 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.59 1for s TYR 86 Cb -0.15 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1for s TYR 86 CO -0.01 0.24 0.05 0.00 -1.57 0.00 0.00 175.55 174.27 1for s GLN 88 N -1.44 1.21 -0.13 0.00 -0.44 -0.03 -0.27 119.66 118.56 1for s GLN 88 Ca 0.19 -0.37 -0.06 0.00 -2.50 0.00 0.00 55.36 52.63 1for s GLN 88 Cb -0.12 -1.09 -0.04 0.00 -1.64 0.00 0.00 33.01 30.12 1for s GLN 88 CO 0.10 0.11 0.08 -1.14 0.50 0.00 0.00 175.29 174.94 1for s GLN 89 N 0.27 3.50 0.00 1.67 -0.44 -0.08 -1.93 119.66 122.65 1for s GLN 89 Ca -0.05 -0.28 0.03 0.00 -2.50 0.00 0.00 55.36 52.55 1for s GLN 89 Cb -0.10 -3.09 0.04 0.00 -1.64 0.00 0.00 33.01 28.22 1for s GLN 89 CO 0.01 0.59 0.93 2.89 0.50 0.00 0.00 175.29 180.21 1for n ARG 90 N 2.56 0.00 -1.26 1.67 -4.01 -1.26 -2.39 116.66 111.97 1for n ARG 90 Ca -0.18 -0.93 -0.26 0.00 -1.04 0.00 0.00 57.85 55.44 1for n ARG 90 Cb 0.54 -0.35 0.14 0.00 -3.04 0.00 0.00 32.46 29.75 1for n ARG 90 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1for n SER 91 N 0.05 5.05 0.00 2.89 7.64 -1.26 -4.93 113.62 123.06 1for n SER 91 Ca -0.00 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.18 1for n SER 91 Cb 0.71 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1for n SER 91 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1for n SER 92 N -1.05 0.00 -3.64 6.43 7.64 -1.26 -4.91 113.62 116.83 1for n SER 92 Ca 0.58 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.40 1for n SER 92 Cb 1.23 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.36 1for n SER 92 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1for s TYR 93 N -1.67 -0.99 0.81 1.43 2.02 -1.26 -4.47 117.35 113.22 1for s TYR 93 Ca 0.00 1.95 -0.12 0.00 -0.37 0.00 0.00 57.07 58.54 1for s TYR 93 Cb 0.00 0.59 0.08 0.00 -0.40 0.00 0.00 41.96 42.23 1for s TYR 93 CO 0.00 -0.49 1.13 -1.25 -1.57 0.00 0.00 175.55 173.38 1for s PRO 94 N 1.65 1.98 0.32 -1.71 0.04 -1.26 -3.85 135.00 132.16 1for s PRO 94 Ca -0.10 0.34 -0.28 0.00 0.04 0.00 0.00 61.00 61.01 1for s PRO 94 Cb -0.05 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 1for s PRO 94 CO -0.19 -1.63 1.18 0.42 0.04 0.00 0.00 177.00 176.82 1for s ILE 95 N -3.37 3.15 0.07 0.56 1.01 -1.26 -4.73 121.20 116.64 1for s ILE 95 Ca 0.61 1.12 0.06 0.00 0.00 0.00 0.00 60.65 62.45 1for s ILE 95 Cb -0.13 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1for s ILE 95 CO 0.52 0.24 -0.17 0.42 0.00 0.00 0.00 174.94 175.95 1for s THR 96 N -1.21 1.34 0.33 2.92 -4.23 -1.01 -5.02 115.64 108.76 1for s THR 96 Ca 0.49 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.78 1for s THR 96 Cb -0.34 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1for s THR 96 CO 0.45 -0.09 0.24 -0.36 -0.54 0.00 0.00 174.62 174.32 1for s PHE 97 N -1.10 2.85 0.55 3.99 0.40 -1.26 -0.91 117.98 122.50 1for s PHE 97 Ca 0.02 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1for s PHE 97 Cb -0.09 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1for s PHE 97 CO 0.03 0.25 0.83 0.20 0.70 0.00 0.00 175.22 177.23 1for s GLY 98 N -3.94 1.61 0.30 4.36 0.00 0.63 -4.48 107.32 105.80 1for s GLY 98 Ca 0.40 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 44.27 1for s GLY 98 CO 0.25 -0.58 1.95 1.48 0.00 0.00 0.00 173.10 176.21 1for h SER 99 N -0.01 0.94 -5.00 1.64 4.64 -1.88 -3.44 113.55 110.43 1for h SER 99 Ca -0.45 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1for h SER 99 Cb 1.26 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1for h SER 99 CO 0.59 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.82 1for n GLY 100 N -1.41 2.90 2.82 -0.77 0.00 -1.26 -5.02 105.19 102.45 1for n GLY 100 Ca 0.11 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 1for n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1for s THR 101 N -2.58 -0.19 -0.28 2.61 2.01 -1.15 -4.52 115.64 111.55 1for s THR 101 Ca 0.00 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 1for s THR 101 Cb 0.00 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1for s THR 101 CO 0.00 0.14 0.22 -0.75 -0.69 0.00 0.00 174.62 173.54 1for s LYS 102 N 2.02 3.92 -0.23 4.92 2.20 -1.09 -1.45 119.74 130.02 1for s LYS 102 Ca 0.01 -0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.22 1for s LYS 102 Cb -0.12 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1for s LYS 102 CO -0.05 -0.22 0.13 -1.17 -0.36 0.00 0.00 175.35 173.69 1for s LEU 103 N 1.80 3.97 0.13 5.43 2.96 -0.64 -1.54 118.68 130.78 1for s LEU 103 Ca 0.08 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1for s LEU 103 Cb -0.16 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1for s LEU 103 CO 0.11 0.06 0.03 -1.61 -1.32 0.00 0.00 176.35 173.62 1for s GLU 104 N 1.06 2.59 -0.30 1.98 0.41 0.57 -3.28 118.70 121.73 1for s GLU 104 Ca 0.07 -0.91 -0.12 0.00 -0.41 0.00 0.00 54.97 53.59 1for s GLU 104 Cb -0.14 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.66 1for s GLU 104 CO 0.04 0.51 0.24 -1.50 -0.49 0.00 0.00 175.26 174.06 1for s ILE 105 N -1.50 5.28 0.79 -1.63 1.10 -1.26 -1.40 121.20 122.57 1for s ILE 105 Ca 0.27 0.10 -0.11 0.00 -0.51 0.00 0.00 60.65 60.40 1for s ILE 105 Cb -0.11 -3.62 0.06 0.00 0.15 0.00 0.00 42.46 38.94 1for s ILE 105 CO 0.19 0.14 1.09 -0.54 -2.11 0.00 0.00 174.94 173.71 1for s LYS 106 N 1.81 2.16 0.08 3.50 1.02 -0.24 -4.89 119.74 123.19 1for s LYS 106 Ca 0.08 0.73 -0.26 0.00 0.02 0.00 0.00 55.97 56.54 1for s LYS 106 Cb -0.16 -1.92 0.08 0.00 -0.52 0.00 0.00 37.83 35.31 1for s LYS 106 CO 0.11 -1.59 0.87 -0.98 -0.92 0.00 0.00 175.35 172.83 1for s ARG 107 N -5.10 1.06 0.54 1.68 1.70 -1.26 -4.59 118.95 112.98 1for s ARG 107 Ca 0.61 -0.48 -0.21 0.00 -0.47 0.00 0.00 55.73 55.18 1for s ARG 107 Cb -0.15 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1for s ARG 107 CO 0.55 -0.47 1.26 0.00 -1.08 0.00 0.00 175.30 175.55 1for s ALA 108 N -3.30 2.74 0.45 7.88 0.00 -1.26 -4.93 121.76 123.34 1for s ALA 108 Ca 0.07 1.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.91 1for s ALA 108 Cb -0.01 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1for s ALA 108 CO -0.05 -1.13 1.12 -0.25 0.00 0.00 0.00 175.76 175.45 1for n ASP 109 N -1.12 1.77 -3.81 0.00 9.92 -1.26 -4.90 116.55 117.14 1for n ASP 109 Ca 0.11 1.03 -0.13 0.00 -0.53 0.00 0.00 54.79 55.27 1for n ASP 109 Cb 0.47 -1.43 -0.14 0.00 -0.64 0.00 0.00 41.12 39.38 1for n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1for s ALA 110 N -1.28 -0.07 0.09 2.24 0.00 -1.26 -4.94 121.76 116.54 1for s ALA 110 Ca 0.64 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 1for s ALA 110 Cb -0.51 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.36 1for s ALA 110 CO 0.56 -0.07 0.44 0.00 0.00 0.00 0.00 175.76 176.69 1for s ALA 111 N 0.53 3.68 0.34 0.00 0.00 -1.26 -1.45 121.76 123.61 1for s ALA 111 Ca -0.04 -0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 1for s ALA 111 Cb -0.06 -2.35 -0.09 0.00 0.00 0.00 0.00 23.12 20.62 1for s ALA 111 CO -0.02 0.53 1.09 -1.25 0.00 0.00 0.00 175.76 176.11 1for s PRO 112 N -1.87 4.37 -0.14 0.00 0.04 -1.26 -4.57 135.00 131.56 1for s PRO 112 Ca 0.34 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1for s PRO 112 Cb -0.14 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 1for s PRO 112 CO 0.18 0.00 0.24 0.95 0.04 0.00 0.00 177.00 178.42 1for s THR 113 N -1.39 5.33 0.15 1.26 -4.23 -0.67 -4.86 115.64 111.23 1for s THR 113 Ca 0.51 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 61.52 1for s THR 113 Cb -0.28 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1for s THR 113 CO 0.35 0.46 0.09 -0.69 -0.54 0.00 0.00 174.62 174.29 1for s VAL 114 N 0.03 4.28 -0.20 2.29 1.01 -1.26 -1.14 120.40 125.41 1for s VAL 114 Ca 0.15 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 1for s VAL 114 Cb -0.13 -3.16 0.06 0.00 0.00 0.00 0.00 36.38 33.16 1for s VAL 114 CO 0.04 -0.07 0.50 -0.44 0.00 0.00 0.00 175.10 175.12 1for s SER 115 N -2.95 -0.62 -0.10 3.32 0.01 -1.09 -4.98 113.70 107.30 1for s SER 115 Ca 0.30 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1for s SER 115 Cb -0.10 0.98 -0.02 0.00 0.21 0.00 0.00 66.02 67.08 1for s SER 115 CO 0.22 -0.20 -0.10 -0.51 0.41 0.00 0.00 173.24 173.06 1for s ILE 116 N 1.15 3.41 -0.12 1.44 1.10 -1.26 -1.65 121.20 125.27 1for s ILE 116 Ca -0.07 -0.56 0.00 0.00 -0.51 0.00 0.00 60.65 59.51 1for s ILE 116 Cb -0.06 -2.41 0.02 0.00 0.15 0.00 0.00 42.46 40.16 1for s ILE 116 CO -0.11 0.56 -0.11 -0.36 -2.11 0.00 0.00 174.94 172.81 1for s PHE 117 N -0.28 1.76 0.88 3.50 0.08 0.56 -5.01 117.98 119.48 1for s PHE 117 Ca 0.03 -0.90 -0.12 0.00 0.12 0.00 0.00 56.93 56.06 1for s PHE 117 Cb -0.13 -1.36 0.12 0.00 -0.57 0.00 0.00 43.02 41.08 1for s PHE 117 CO 0.03 -0.54 1.13 -1.25 -0.10 0.00 0.00 175.22 174.48 1for s PRO 118 N 1.46 1.36 0.97 0.24 0.04 -1.26 -1.81 135.00 136.00 1for s PRO 118 Ca 0.02 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.34 1for s PRO 118 Cb -0.13 -1.86 0.18 0.00 0.04 0.00 0.00 34.50 32.73 1for s PRO 118 CO -0.07 -2.06 1.11 -2.14 0.04 0.00 0.00 177.00 173.87 1for s PRO 119 N -5.23 0.60 0.13 0.56 0.02 -1.24 -4.81 135.00 125.02 1for s PRO 119 Ca 0.63 1.31 0.02 0.00 0.02 0.00 0.00 61.00 62.98 1for s PRO 119 Cb -0.15 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 1for s PRO 119 CO 0.54 -2.84 0.27 -1.54 -0.33 0.00 0.00 177.00 173.10 1for s SER 120 N -2.71 6.35 0.28 2.53 1.04 -1.26 -5.00 113.70 114.92 1for s SER 120 Ca 0.67 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1for s SER 120 Cb -0.23 -1.92 0.51 0.00 0.10 0.00 0.00 66.02 64.48 1for s SER 120 CO 0.59 0.08 1.85 0.77 0.98 0.00 0.00 173.24 177.52 1for h SER 121 N 2.36 0.96 -0.49 7.02 4.64 -1.98 -1.25 113.55 124.81 1for h SER 121 Ca -0.48 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1for h SER 121 Cb 1.19 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1for h SER 121 CO 0.70 0.55 0.30 -0.33 -0.87 0.00 0.00 176.83 177.18 1for h GLU 122 N 1.05 0.58 -0.15 4.77 5.08 -1.99 0.18 114.58 124.10 1for h GLU 122 Ca 0.47 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.65 1for h GLU 122 Cb 0.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1for h GLU 122 CO -0.23 0.38 -0.56 0.37 -1.00 0.00 0.00 179.01 177.97 1for h GLN 123 N 0.60 0.45 -0.60 2.33 4.15 -1.73 -2.91 115.11 117.40 1for h GLN 123 Ca 0.19 -0.29 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 1for h GLN 123 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1for h GLN 123 CO -0.08 0.89 0.10 -0.07 -1.93 0.00 0.00 178.83 177.74 1for h LEU 124 N 0.35 0.92 -0.48 -2.39 3.38 -0.62 -1.98 115.31 114.49 1for h LEU 124 Ca 0.00 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 57.87 1for h LEU 124 Cb 1.08 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 1for h LEU 124 CO 0.10 0.92 -0.10 0.74 0.09 0.00 0.00 178.44 180.19 1for h THR 125 N 0.91 0.54 0.00 0.22 2.02 -0.47 0.58 112.91 116.71 1for h THR 125 Ca 0.19 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1for h THR 125 Cb 0.39 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1for h THR 125 CO 0.01 0.00 0.00 0.28 0.37 0.00 0.00 175.52 176.18 1for h SER 126 N 0.02 0.00 0.00 4.18 0.02 -1.33 -3.46 113.55 112.98 1for h SER 126 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1for h SER 126 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1for h SER 126 CO -0.47 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.83 1for n GLY 127 N -0.42 0.98 3.34 -3.77 0.00 0.20 -5.08 105.19 100.45 1for n GLY 127 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1for n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1for s GLY 128 N -2.02 1.42 -0.13 -0.02 0.00 -1.04 -1.60 107.32 103.92 1for s GLY 128 Ca 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1for s GLY 128 CO 0.00 -1.63 0.08 0.00 0.00 0.00 0.00 173.10 171.55 1for s ALA 129 N -2.40 0.40 -0.19 3.20 0.00 0.13 -3.58 121.76 119.32 1for s ALA 129 Ca 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 1for s ALA 129 Cb -0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1for s ALA 129 CO 0.07 -0.95 -0.05 -1.12 0.00 0.00 0.00 175.76 173.71 1for s SER 130 N 2.13 4.41 -0.19 0.00 0.01 -1.26 -0.71 113.70 118.09 1for s SER 130 Ca 0.03 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.91 1for s SER 130 Cb -0.15 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1for s SER 130 CO -0.07 0.05 0.04 -0.69 0.41 0.00 0.00 173.24 172.99 1for s VAL 131 N 1.03 4.48 0.02 3.43 1.01 -0.52 -3.66 120.40 126.20 1for s VAL 131 Ca 0.01 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1for s VAL 131 Cb -0.15 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1for s VAL 131 CO 0.00 0.44 -0.11 -0.69 0.00 0.00 0.00 175.10 174.74 1for s VAL 132 N 0.68 3.32 -0.05 2.92 1.01 -0.75 -1.93 120.40 125.59 1for s VAL 132 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1for s VAL 132 Cb -0.13 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1for s VAL 132 CO 0.02 0.36 -0.02 0.00 0.00 0.00 0.00 175.10 175.46 1for s PHE 134 N 1.34 3.07 -0.54 0.00 0.08 -0.66 -1.41 117.98 119.87 1for s PHE 134 Ca -0.05 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 1for s PHE 134 Cb -0.13 -2.23 0.14 0.00 -0.57 0.00 0.00 43.02 40.23 1for s PHE 134 CO -0.02 -0.39 0.44 -0.51 -0.10 0.00 0.00 175.22 174.64 1for s LEU 135 N 1.60 5.92 0.03 -0.37 2.01 -0.23 -2.68 118.68 124.96 1for s LEU 135 Ca 0.06 -2.05 0.03 0.00 0.01 0.00 0.00 54.13 52.18 1for s LEU 135 Cb -0.15 -2.07 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 1for s LEU 135 CO 0.03 -0.70 -0.02 0.20 1.01 0.00 0.00 176.35 176.88 1for s ASN 136 N 2.70 4.97 -1.29 2.29 0.02 -0.29 -0.44 114.94 122.89 1for s ASN 136 Ca 0.07 -0.11 -0.02 0.00 -1.02 0.00 0.00 52.86 51.79 1for s ASN 136 Cb -0.25 -1.22 -0.00 0.00 0.02 0.00 0.00 41.25 39.80 1for s ASN 136 CO -0.01 0.24 0.69 0.59 0.02 0.00 0.00 177.10 178.63 1for n ASN 137 N 1.11 -1.65 -4.67 -1.22 4.13 0.19 -1.67 115.26 111.49 1for n ASN 137 Ca -0.13 -0.85 -0.27 0.00 1.68 0.00 0.00 54.58 55.00 1for n ASN 137 Cb 0.52 -3.95 -0.08 0.00 -1.54 0.00 0.00 39.78 34.74 1for n ASN 137 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1for s PHE 138 N -3.67 2.88 0.00 3.10 -0.71 -0.27 -4.49 117.98 114.81 1for s PHE 138 Ca 0.06 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 1for s PHE 138 Cb -0.02 -1.41 0.00 0.00 -1.21 0.00 0.00 43.02 40.38 1for s PHE 138 CO 0.82 0.51 0.00 0.98 -1.34 0.00 0.00 175.22 176.19 1for n TYR 139 N 0.01 0.00 -1.63 3.49 9.36 -0.53 -0.67 117.16 127.20 1for n TYR 139 Ca -0.10 0.00 -0.65 0.00 3.32 0.00 0.00 57.90 60.47 1for n TYR 139 Cb 0.54 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.15 1for n TYR 139 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1for n PRO 140 N -0.34 0.07 -0.27 2.98 -0.02 -1.26 -4.56 135.00 131.60 1for n PRO 140 Ca 0.00 0.02 0.06 0.00 -2.02 0.00 0.00 63.50 61.57 1for n PRO 140 Cb 0.00 -1.54 0.20 0.00 -0.02 0.00 0.00 33.50 32.14 1for n PRO 140 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1for h LYS 141 N 6.14 0.44 -6.19 -0.52 3.64 -2.00 -3.41 116.57 114.68 1for h LYS 141 Ca -0.36 -0.03 -0.65 0.00 -1.27 0.00 0.00 60.65 58.34 1for h LYS 141 Cb 1.38 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1for h LYS 141 CO 1.01 0.29 1.12 -0.25 -2.27 0.00 0.00 179.45 179.35 1for n ASP 142 N -4.99 3.01 -3.68 4.20 9.92 -1.26 -4.92 116.55 118.83 1for n ASP 142 Ca 0.15 0.89 -0.15 0.00 -0.53 0.00 0.00 54.79 55.15 1for n ASP 142 Cb 0.44 -1.31 -0.08 0.00 -0.64 0.00 0.00 41.12 39.54 1for n ASP 142 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1for s ILE 143 N 4.60 0.03 -0.09 0.53 2.07 -1.26 -4.75 121.20 122.34 1for s ILE 143 Ca 0.97 -0.29 0.03 0.00 -1.41 0.00 0.00 60.65 59.96 1for s ILE 143 Cb -0.79 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.05 1for s ILE 143 CO 0.54 -0.16 -0.20 0.21 -1.91 0.00 0.00 174.94 173.43 1for s ASN 144 N -1.19 2.63 -0.06 4.50 3.04 -1.20 -4.98 114.94 117.69 1for s ASN 144 Ca -0.12 -0.47 0.05 0.00 0.04 0.00 0.00 52.86 52.36 1for s ASN 144 Cb -0.03 -1.21 -0.01 0.00 -1.54 0.00 0.00 41.25 38.46 1for s ASN 144 CO 0.06 0.11 -0.22 -0.69 -3.04 0.00 0.00 177.10 173.33 1for s VAL 145 N 0.46 1.79 0.11 -5.21 1.01 -1.26 -1.01 120.40 116.30 1for s VAL 145 Ca -0.17 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1for s VAL 145 Cb -0.17 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1for s VAL 145 CO 0.07 0.50 -0.09 -0.54 0.00 0.00 0.00 175.10 175.04 1for s LYS 146 N -0.03 0.91 0.01 2.72 1.02 0.36 -4.98 119.74 119.75 1for s LYS 146 Ca -0.05 -1.31 0.08 0.00 0.02 0.00 0.00 55.97 54.70 1for s LYS 146 Cb -0.13 -0.45 -0.02 0.00 -0.52 0.00 0.00 37.83 36.71 1for s LYS 146 CO 0.03 0.05 -0.23 -1.58 -0.92 0.00 0.00 175.35 172.70 1for s TRP 147 N -3.13 2.06 -0.05 3.18 0.52 -1.26 -0.68 118.94 119.58 1for s TRP 147 Ca 0.11 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.86 1for s TRP 147 Cb 0.02 -1.29 0.02 0.00 -1.15 0.00 0.00 33.47 31.07 1for s TRP 147 CO -0.01 0.02 -0.08 0.15 0.02 0.00 0.00 176.95 177.05 1for s LYS 148 N -0.82 1.13 -0.27 4.98 1.02 -0.58 -1.72 119.74 123.47 1for s LYS 148 Ca 0.09 -0.24 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 1for s LYS 148 Cb -0.09 -1.02 0.03 0.00 -0.52 0.00 0.00 37.83 36.23 1for s LYS 148 CO 0.00 -0.01 -0.01 0.42 -0.92 0.00 0.00 175.35 174.83 1for s ILE 149 N 0.70 3.13 -1.49 2.17 1.01 0.14 -0.80 121.20 126.07 1for s ILE 149 Ca -0.11 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.37 1for s ILE 149 Cb -0.14 -2.66 0.06 0.00 0.01 0.00 0.00 42.46 39.73 1for s ILE 149 CO 0.01 0.07 0.78 0.47 0.00 0.00 0.00 174.94 176.28 1for n ASP 150 N 4.69 -2.85 0.00 3.58 8.00 -0.41 -0.58 116.55 128.98 1for n ASP 150 Ca -0.15 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1for n ASP 150 Cb 0.46 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 1for n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1for n GLY 151 N -1.67 3.14 3.77 0.44 0.00 -1.26 -5.02 105.19 104.59 1for n GLY 151 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1for n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1for s SER 152 N -0.97 6.85 0.56 1.61 0.01 0.25 -4.97 113.70 117.05 1for s SER 152 Ca 0.00 1.02 -0.18 0.00 1.31 0.00 0.00 55.95 58.10 1for s SER 152 Cb 0.00 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 1for s SER 152 CO 0.00 0.14 1.08 -0.70 0.41 0.00 0.00 173.24 174.17 1for s GLU 153 N -0.23 3.37 -0.08 12.44 2.12 -1.26 0.28 118.70 135.35 1for s GLU 153 Ca 0.28 1.41 -0.03 0.00 0.36 0.00 0.00 54.97 56.98 1for s GLU 153 Cb -0.17 -2.03 0.04 0.00 0.26 0.00 0.00 34.13 32.24 1for s GLU 153 CO 0.14 -0.80 0.15 0.50 -0.54 0.00 0.00 175.26 174.72 1for s ARG 154 N -3.60 0.06 -0.60 4.30 3.52 -0.70 -4.86 118.95 117.07 1for s ARG 154 Ca 0.68 0.48 0.06 0.00 -0.13 0.00 0.00 55.73 56.82 1for s ARG 154 Cb -0.19 -0.23 0.24 0.00 -1.56 0.00 0.00 34.95 33.20 1for s ARG 154 CO 0.30 -0.25 0.68 0.00 -0.81 0.00 0.00 175.30 175.22 1for n GLN 155 N 4.83 2.13 -3.60 5.12 10.64 -1.26 -4.43 117.38 130.81 1for n GLN 155 Ca -0.14 -4.40 -0.02 0.00 -1.83 0.00 0.00 57.00 50.61 1for n GLN 155 Cb 0.51 -2.08 -0.05 0.00 -0.86 0.00 0.00 30.24 27.75 1for n GLN 155 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1for s ASN 156 N -2.13 -0.91 0.00 2.61 3.84 -1.26 -4.93 114.94 112.16 1for s ASN 156 Ca 0.38 1.32 0.00 0.00 0.21 0.00 0.00 52.86 54.77 1for s ASN 156 Cb 0.13 1.80 0.00 0.00 -0.55 0.00 0.00 41.25 42.64 1for s ASN 156 CO -0.05 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 1for n GLY 157 N 4.84 0.49 3.42 1.21 0.00 -1.26 -4.86 105.19 109.02 1for n GLY 157 Ca -0.14 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1for n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1for s VAL 158 N -2.11 3.62 -0.12 1.61 1.01 -1.26 -1.65 120.40 121.49 1for s VAL 158 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1for s VAL 158 Cb 0.00 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1for s VAL 158 CO 0.00 0.47 -0.17 -0.22 0.00 0.00 0.00 175.10 175.18 1for s LEU 159 N 0.72 1.81 0.19 3.92 1.98 0.11 -5.00 118.68 122.42 1for s LEU 159 Ca -0.02 -0.47 0.11 0.00 -2.89 0.00 0.00 54.13 50.86 1for s LEU 159 Cb -0.15 -1.18 -0.04 0.00 0.66 0.00 0.00 46.19 45.48 1for s LEU 159 CO 0.02 0.03 -0.24 0.20 -1.89 0.00 0.00 176.35 174.47 1for s ASN 160 N 0.96 3.43 -0.11 3.68 0.02 -1.26 -1.15 114.94 120.51 1for s ASN 160 Ca -0.06 -0.86 -0.16 0.00 -1.02 0.00 0.00 52.86 50.75 1for s ASN 160 Cb -0.15 -0.25 0.04 0.00 0.02 0.00 0.00 41.25 40.90 1for s ASN 160 CO -0.02 0.12 0.42 -0.55 0.02 0.00 0.00 177.10 177.09 1for s SER 161 N -2.65 -0.39 0.03 -1.22 0.15 -0.89 -5.02 113.70 103.72 1for s SER 161 Ca 0.21 0.62 0.07 0.00 0.70 0.00 0.00 55.95 57.55 1for s SER 161 Cb -0.08 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1for s SER 161 CO 0.10 -0.28 -0.21 0.26 1.20 0.00 0.00 173.24 174.31 1for s TRP 162 N -0.36 1.84 0.61 3.44 0.52 -1.26 -1.67 118.94 122.05 1for s TRP 162 Ca -0.05 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.66 1for s TRP 162 Cb -0.03 -1.11 0.03 0.00 -1.15 0.00 0.00 33.47 31.21 1for s TRP 162 CO 0.03 0.07 0.88 0.95 0.02 0.00 0.00 176.95 178.90 1for s THR 163 N -0.75 2.89 0.53 2.01 -4.23 -0.94 -5.03 115.64 110.12 1for s THR 163 Ca 0.08 -0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 60.15 1for s THR 163 Cb -0.09 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 1for s THR 163 CO 0.01 -0.15 0.91 -1.81 -0.54 0.00 0.00 174.62 173.05 1for s ASP 164 N -4.41 6.35 0.08 3.99 1.01 -1.26 -4.70 116.67 117.73 1for s ASP 164 Ca 0.57 1.25 -0.36 0.00 0.71 0.00 0.00 52.55 54.72 1for s ASP 164 Cb -0.10 -2.39 -0.16 0.00 1.01 0.00 0.00 42.92 41.28 1for s ASP 164 CO 0.42 -0.66 1.46 1.67 0.21 0.00 0.00 175.17 178.26 1for n GLN 165 N -2.19 1.50 -2.16 8.23 7.27 -1.26 -4.82 117.38 123.95 1for n GLN 165 Ca 0.04 0.54 -0.39 0.00 0.07 0.00 0.00 57.00 57.26 1for n GLN 165 Cb 0.54 -2.23 -0.01 0.00 2.41 0.00 0.00 30.24 30.95 1for n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1for s ASP 166 N 0.90 6.35 0.03 1.69 2.15 -0.27 -4.90 116.67 122.61 1for s ASP 166 Ca 0.84 2.50 -0.19 0.00 0.43 0.00 0.00 52.55 56.13 1for s ASP 166 Cb -0.86 -2.63 -0.19 0.00 -0.30 0.00 0.00 42.92 38.94 1for s ASP 166 CO 0.45 -0.81 1.20 0.77 -0.17 0.00 0.00 175.17 176.61 1for h SER 167 N 2.57 0.54 -0.28 -0.34 4.64 -1.92 0.14 113.55 118.90 1for h SER 167 Ca -0.49 -0.65 -0.17 0.00 -0.47 0.00 0.00 61.79 60.00 1for h SER 167 Cb 1.24 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1for h SER 167 CO 0.62 1.11 -0.50 0.50 -0.87 0.00 0.00 176.83 177.69 1for h LYS 168 N 0.01 0.86 0.00 4.77 3.64 -2.00 -3.38 116.57 120.46 1for h LYS 168 Ca -0.03 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1for h LYS 168 Cb 1.10 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1for h LYS 168 CO 0.09 1.15 0.00 -0.40 -2.27 0.00 0.00 179.45 178.02 1for n ASP 169 N -4.02 1.10 -0.84 4.20 5.68 -1.25 -5.02 116.55 116.40 1for n ASP 169 Ca -0.03 -1.41 -0.11 0.00 -0.50 0.00 0.00 54.79 52.74 1for n ASP 169 Cb 0.60 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.53 1for n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1for n SER 170 N -0.20 -5.33 -2.54 -1.12 7.64 0.49 -4.94 113.62 107.61 1for n SER 170 Ca 0.00 0.27 -0.06 0.00 1.01 0.00 0.00 58.87 60.10 1for n SER 170 Cb 0.22 -3.80 0.03 0.00 -1.01 0.00 0.00 64.21 59.66 1for n SER 170 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1for n THR 171 N -2.34 0.00 -4.11 0.44 5.66 -1.26 -4.52 114.28 108.15 1for n THR 171 Ca -0.11 -0.32 -0.09 0.00 -3.05 0.00 0.00 64.05 60.48 1for n THR 171 Cb 0.53 -1.43 -0.10 0.00 -1.55 0.00 0.00 70.33 67.77 1for n THR 171 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1for s TYR 172 N -0.82 0.68 0.03 1.09 2.02 0.15 -1.12 117.35 119.38 1for s TYR 172 Ca 0.16 -0.91 -0.02 0.00 -0.37 0.00 0.00 57.07 55.93 1for s TYR 172 Cb -0.01 -0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 1for s TYR 172 CO 0.11 -0.24 -0.00 -1.12 -1.57 0.00 0.00 175.55 172.73 1for s SER 173 N -2.74 0.30 0.00 2.29 0.01 -1.26 -0.64 113.70 111.67 1for s SER 173 Ca 0.06 -0.66 -0.08 0.00 1.31 0.00 0.00 55.95 56.58 1for s SER 173 Cb 0.04 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1for s SER 173 CO -0.06 -0.44 0.15 -0.32 0.41 0.00 0.00 173.24 172.98 1for s MET 174 N -2.47 0.49 -0.02 12.44 0.00 0.42 -2.21 119.30 127.95 1for s MET 174 Ca -0.06 -0.37 0.05 0.00 0.00 0.00 0.00 55.69 55.30 1for s MET 174 Cb -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 34.83 35.00 1for s MET 174 CO -0.05 -0.12 -0.17 0.45 0.00 0.00 0.00 175.02 175.14 1for s SER 175 N -1.34 1.96 -0.07 1.11 0.15 -0.67 -1.06 113.70 113.77 1for s SER 175 Ca -0.14 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1for s SER 175 Cb -0.07 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.01 1for s SER 175 CO 0.02 0.20 -0.06 -0.55 1.20 0.00 0.00 173.24 174.04 1for s SER 176 N -0.35 1.57 -0.08 5.45 0.15 -0.50 -2.08 113.70 117.85 1for s SER 176 Ca 0.06 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1for s SER 176 Cb -0.07 -0.64 0.01 0.00 -1.71 0.00 0.00 66.02 63.61 1for s SER 176 CO -0.00 -0.07 -0.13 -0.89 1.20 0.00 0.00 173.24 173.34 1for s THR 177 N 1.21 1.26 -0.23 6.45 2.01 -0.30 -1.00 115.64 125.04 1for s THR 177 Ca -0.05 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 1for s THR 177 Cb -0.14 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.22 1for s THR 177 CO -0.02 0.39 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.03 1for s LEU 178 N 0.77 3.01 -0.18 4.42 2.96 -0.81 -0.71 118.68 128.15 1for s LEU 178 Ca -0.12 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.17 1for s LEU 178 Cb -0.16 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1for s LEU 178 CO 0.02 -0.07 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.05 1for s THR 179 N 1.42 3.64 0.30 3.68 2.01 -0.66 -1.44 115.64 124.59 1for s THR 179 Ca 0.04 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1for s THR 179 Cb -0.15 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 1for s THR 179 CO -0.04 0.47 0.06 -0.76 -0.69 0.00 0.00 174.62 173.65 1for s LEU 180 N 0.78 2.06 0.47 4.42 1.43 0.12 -4.79 118.68 123.17 1for s LEU 180 Ca -0.02 -1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 51.58 1for s LEU 180 Cb -0.15 -0.28 -0.08 0.00 0.03 0.00 0.00 46.19 45.72 1for s LEU 180 CO 0.02 -0.62 0.91 0.42 0.23 0.00 0.00 176.35 177.31 1for s THR 181 N -3.41 4.61 0.53 5.49 -4.23 -1.26 -0.69 115.64 116.68 1for s THR 181 Ca 0.36 1.04 0.25 0.00 -1.18 0.00 0.00 61.69 62.15 1for s THR 181 Cb 0.08 -3.71 0.39 0.00 1.34 0.00 0.00 72.50 70.59 1for s THR 181 CO 0.14 -0.60 2.01 0.50 -0.54 0.00 0.00 174.62 176.13 1for h LYS 182 N 1.12 0.00 0.79 3.99 3.64 -1.57 -1.08 116.57 123.46 1for h LYS 182 Ca -0.47 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1for h LYS 182 Cb 1.18 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1for h LYS 182 CO 0.62 0.00 -0.38 -0.44 -2.27 0.00 0.00 179.45 176.98 1for h ASP 183 N 0.00 -0.90 -0.96 4.20 3.32 -1.92 -0.54 116.42 119.62 1for h ASP 183 Ca 0.23 0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.48 1for h ASP 183 Cb 0.94 0.23 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 1for h ASP 183 CO -0.00 -0.54 0.61 -0.33 -1.72 0.00 0.00 179.24 177.25 1for h GLU 184 N -1.26 0.72 0.32 3.56 4.39 -1.79 -2.06 114.58 118.45 1for h GLU 184 Ca -0.11 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1for h GLU 184 Cb 0.81 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1for h GLU 184 CO 0.18 0.48 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.44 1for h TYR 185 N 0.75 -0.39 0.00 4.33 3.20 -1.09 -3.10 116.97 120.66 1for h TYR 185 Ca 0.51 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.37 1for h TYR 185 Cb 0.80 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1for h TYR 185 CO -0.00 -0.07 0.00 0.39 -1.64 0.00 0.00 178.16 176.83 1for n GLU 186 N -5.15 0.82 -0.74 1.82 1.02 -0.22 -2.74 120.64 115.46 1for n GLU 186 Ca -0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 1for n GLU 186 Cb 0.26 -1.19 0.37 0.00 -0.02 0.00 0.00 31.44 30.85 1for n GLU 186 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1for n ARG 187 N -0.69 4.24 -4.02 3.49 0.63 -0.81 -4.94 116.66 114.56 1for n ARG 187 Ca 0.08 -3.02 -0.10 0.00 -0.92 0.00 0.00 57.85 53.89 1for n ARG 187 Cb 0.03 -2.08 -0.05 0.00 0.45 0.00 0.00 32.46 30.82 1for n ARG 187 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1for s HIS 188 N -2.46 0.49 0.00 -0.14 3.76 -1.11 -5.04 115.29 110.79 1for s HIS 188 Ca 0.51 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1for s HIS 188 Cb 0.37 0.12 0.00 0.00 1.11 0.00 0.00 32.58 34.19 1for s HIS 188 CO 0.18 -1.00 0.00 -1.71 -0.85 0.00 0.00 174.74 171.36 1for n ASN 189 N -0.51 3.53 -4.23 1.40 2.85 -1.26 -4.84 115.26 112.20 1for n ASN 189 Ca -0.01 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.17 1for n ASN 189 Cb 0.62 0.52 -0.16 0.00 1.24 0.00 0.00 39.78 42.00 1for n ASN 189 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1for s SER 190 N -1.94 2.59 -0.09 1.20 0.01 -1.26 -0.34 113.70 113.86 1for s SER 190 Ca 0.00 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1for s SER 190 Cb 0.00 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 65.82 1for s SER 190 CO 0.00 0.25 -0.07 -0.31 0.41 0.00 0.00 173.24 173.51 1for s TYR 191 N -0.36 1.33 -0.05 2.43 2.02 -1.11 -1.29 117.35 120.31 1for s TYR 191 Ca 0.04 -0.60 0.04 0.00 -0.37 0.00 0.00 57.07 56.19 1for s TYR 191 Cb -0.10 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.35 1for s TYR 191 CO 0.00 -0.42 -0.18 0.99 -1.57 0.00 0.00 175.55 174.37 1for s THR 192 N 1.49 1.52 -0.25 -0.71 2.01 0.02 -2.77 115.64 116.95 1for s THR 192 Ca 0.00 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 1for s THR 192 Cb -0.13 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1for s THR 192 CO -0.05 0.44 0.12 0.00 -0.69 0.00 0.00 174.62 174.43 1for s GLU 194 N 1.52 2.19 -0.06 0.00 2.12 0.14 -2.13 118.70 122.48 1for s GLU 194 Ca 0.06 -0.52 0.04 0.00 0.36 0.00 0.00 54.97 54.92 1for s GLU 194 Cb -0.15 -2.02 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 1for s GLU 194 CO 0.06 -0.23 -0.17 0.00 -0.54 0.00 0.00 175.26 174.38 1for s ALA 195 N 1.48 2.51 -0.33 6.30 0.00 -0.28 -0.48 121.76 130.96 1for s ALA 195 Ca 0.04 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1for s ALA 195 Cb -0.13 -0.89 0.09 0.00 0.00 0.00 0.00 23.12 22.19 1for s ALA 195 CO -0.10 0.49 0.03 0.99 0.00 0.00 0.00 175.76 177.18 1for s THR 196 N -0.49 2.50 0.16 0.00 2.01 -0.18 -0.43 115.64 119.21 1for s THR 196 Ca 0.06 -2.03 0.11 0.00 0.31 0.00 0.00 61.69 60.14 1for s THR 196 Cb -0.12 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1for s THR 196 CO 0.01 -0.43 -0.25 -2.28 -0.69 0.00 0.00 174.62 170.98 1for s HIS 197 N 1.02 2.29 0.56 4.92 2.46 -1.26 -3.24 115.29 122.04 1for s HIS 197 Ca 0.04 -0.37 0.26 0.00 0.47 0.00 0.00 55.06 55.46 1for s HIS 197 Cb -0.20 -1.19 1.49 0.00 -0.13 0.00 0.00 32.58 32.55 1for s HIS 197 CO -0.06 0.42 2.05 1.57 -2.47 0.00 0.00 174.74 176.25 1for h LYS 198 N 3.54 0.00 0.00 2.88 2.10 -1.96 -1.31 116.57 121.82 1for h LYS 198 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1for h LYS 198 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1for h LYS 198 CO 0.44 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.14 1for n THR 199 N -4.13 0.00 -3.69 0.07 -2.24 -1.26 -4.58 114.28 98.44 1for n THR 199 Ca 0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 1for n THR 199 Cb 0.43 -0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 67.67 1for n THR 199 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1for s SER 200 N -2.00 -0.45 0.20 3.42 1.04 -0.49 -5.02 113.70 110.39 1for s SER 200 Ca 0.10 0.72 0.13 0.00 0.48 0.00 0.00 55.95 57.38 1for s SER 200 Cb 0.04 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 1for s SER 200 CO 0.07 -0.30 1.28 0.71 0.98 0.00 0.00 173.24 175.98 1for h THR 201 N 4.04 1.00 -3.53 2.02 1.35 -1.81 -3.41 112.91 112.57 1for h THR 201 Ca -0.28 -2.47 -0.66 0.00 -0.55 0.00 0.00 66.41 62.45 1for h THR 201 Cb 1.17 2.46 -0.16 0.00 -1.73 0.00 0.00 68.15 69.89 1for h THR 201 CO 0.28 0.57 -0.75 -0.94 -0.25 0.00 0.00 175.52 174.43 1for s SER 202 N -6.39 4.28 0.54 5.36 1.04 -1.26 -5.07 113.70 112.19 1for s SER 202 Ca 0.02 -0.44 -0.21 0.00 0.48 0.00 0.00 55.95 55.79 1for s SER 202 Cb 0.08 -0.76 -0.05 0.00 0.10 0.00 0.00 66.02 65.39 1for s SER 202 CO 0.78 0.17 1.26 -2.84 0.98 0.00 0.00 173.24 173.58 1for s PRO 203 N -2.27 3.25 -0.09 4.02 0.02 -1.26 -4.83 135.00 133.83 1for s PRO 203 Ca 0.21 1.98 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 1for s PRO 203 Cb -0.11 -2.19 -0.05 0.00 0.02 0.00 0.00 34.50 32.17 1for s PRO 203 CO 0.13 -1.02 0.30 -1.50 -0.33 0.00 0.00 177.00 174.58 1for s ILE 204 N -1.46 5.25 0.10 2.83 2.07 0.43 -4.93 121.20 125.49 1for s ILE 204 Ca 0.71 0.59 0.06 0.00 -1.41 0.00 0.00 60.65 60.60 1for s ILE 204 Cb -0.34 -3.61 -0.03 0.00 0.13 0.00 0.00 42.46 38.60 1for s ILE 204 CO 0.39 0.51 -0.16 0.68 -1.91 0.00 0.00 174.94 174.45 1for s VAL 205 N -0.40 1.33 -0.05 4.00 -7.23 -1.26 -1.12 120.40 115.67 1for s VAL 205 Ca 0.19 -1.50 -0.03 0.00 -1.81 0.00 0.00 61.98 58.83 1for s VAL 205 Cb -0.14 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.49 1for s VAL 205 CO 0.07 -0.25 0.11 -0.75 -0.31 0.00 0.00 175.10 173.98 1for s LYS 206 N -2.09 0.08 0.13 4.82 2.47 -0.91 -5.01 119.74 119.24 1for s LYS 206 Ca 0.04 0.26 -0.11 0.00 -1.56 0.00 0.00 55.97 54.59 1for s LYS 206 Cb -0.08 -0.10 0.01 0.00 -1.46 0.00 0.00 37.83 36.20 1for s LYS 206 CO 0.03 -0.11 0.29 -1.12 0.16 0.00 0.00 175.35 174.60 1for s SER 207 N 0.73 -0.02 0.02 1.43 0.01 -1.26 -1.21 113.70 113.41 1for s SER 207 Ca -0.06 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.56 1for s SER 207 Cb -0.08 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.55 1for s SER 207 CO -0.03 -0.83 0.03 0.72 0.41 0.00 0.00 173.24 173.54 1for s PHE 208 N -3.88 0.23 -0.23 2.43 -0.12 -1.11 -5.04 117.98 110.27 1for s PHE 208 Ca 0.08 -0.50 -0.07 0.00 -0.05 0.00 0.00 56.93 56.39 1for s PHE 208 Cb 0.03 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1for s PHE 208 CO -0.08 -0.26 0.05 -0.80 -0.05 0.00 0.00 175.22 174.08 1for s ASN 209 N -1.73 5.11 0.00 1.98 0.01 -1.26 -2.74 114.94 116.32 1for s ASN 209 Ca -0.11 -0.16 0.09 0.00 -0.71 0.00 0.00 52.86 51.96 1for s ASN 209 Cb -0.06 -1.90 0.55 0.00 0.41 0.00 0.00 41.25 40.25 1for s ASN 209 CO -0.02 0.02 1.00 -1.14 -1.51 0.00 0.00 177.10 175.45