#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spd s THR 2 N 0.00 4.68 -0.00 0.00 -4.23 -1.26 -5.09 115.64 109.73 1spd s THR 2 Ca 0.00 0.88 -0.24 0.00 -1.18 0.00 0.00 61.69 61.15 1spd s THR 2 Cb 0.00 -3.73 0.05 0.00 1.34 0.00 0.00 72.50 70.16 1spd s THR 2 CO 0.00 -0.62 0.53 -0.54 -0.54 0.00 0.00 174.62 173.45 1spd s LYS 3 N -4.01 0.96 0.07 3.99 1.02 -1.26 -4.44 119.74 116.06 1spd s LYS 3 Ca 0.55 -0.04 -0.21 0.00 0.02 0.00 0.00 55.97 56.29 1spd s LYS 3 Cb -0.10 0.44 0.05 0.00 -0.52 0.00 0.00 37.83 37.70 1spd s LYS 3 CO 0.32 -0.31 0.49 0.00 -0.92 0.00 0.00 175.35 174.93 1spd s ALA 4 N -1.72 -1.23 0.13 5.17 0.00 -1.05 -2.00 121.76 121.06 1spd s ALA 4 Ca -0.09 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1spd s ALA 4 Cb -0.01 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1spd s ALA 4 CO 0.04 -0.54 -0.01 0.54 0.00 0.00 0.00 175.76 175.79 1spd s VAL 5 N -2.78 0.54 -0.29 0.00 0.11 -0.92 -2.16 120.40 114.91 1spd s VAL 5 Ca -0.03 -1.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 1spd s VAL 5 Cb -0.00 -1.93 0.18 0.00 -1.53 0.00 0.00 36.38 33.10 1spd s VAL 5 CO -0.04 -0.63 0.56 0.00 -3.33 0.00 0.00 175.10 171.65 1spd s VAL 7 N 2.80 4.51 -1.00 0.00 1.01 -1.26 -0.30 120.40 126.17 1spd s VAL 7 Ca 0.17 0.71 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 1spd s VAL 7 Cb -0.14 -4.41 0.16 0.00 0.00 0.00 0.00 36.38 31.99 1spd s VAL 7 CO -0.22 -0.80 1.17 -0.22 0.00 0.00 0.00 175.10 175.04 1spd s LEU 8 N 3.65 5.29 -0.12 3.92 2.96 0.90 -3.82 118.68 131.46 1spd s LEU 8 Ca 0.36 -2.43 -0.03 0.00 -0.22 0.00 0.00 54.13 51.81 1spd s LEU 8 Cb -0.11 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1spd s LEU 8 CO 0.25 -0.90 -0.00 -0.54 -1.32 0.00 0.00 176.35 173.84 1spd s LYS 9 N 1.96 3.34 0.31 1.98 -0.14 0.99 -0.81 119.74 127.37 1spd s LYS 9 Ca 0.34 -0.43 0.03 0.00 -1.36 0.00 0.00 55.97 54.54 1spd s LYS 9 Cb -0.05 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.17 1spd s LYS 9 CO -0.07 0.50 0.13 0.20 -0.76 0.00 0.00 175.35 175.35 1spd s GLY 10 N -0.33 2.09 -0.25 -3.33 0.00 -1.26 -0.47 107.32 103.76 1spd s GLY 10 Ca 0.07 -1.73 0.12 0.00 0.00 0.00 0.00 44.72 43.17 1spd s GLY 10 CO 0.02 -1.65 1.45 2.09 0.00 0.00 0.00 173.10 175.01 1spd n ASP 11 N -0.87 2.96 -2.72 1.64 5.75 -1.26 -4.70 116.55 117.35 1spd n ASP 11 Ca -0.01 -3.50 -0.07 0.00 -0.01 0.00 0.00 54.79 51.20 1spd n ASP 11 Cb 0.65 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1spd n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spd n GLY 12 N -0.94 2.95 3.57 6.12 0.00 -1.26 -5.00 105.19 110.62 1spd n GLY 12 Ca 0.30 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1spd n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1spd s PRO 13 N -2.58 3.66 0.00 1.61 0.04 -1.26 -4.76 135.00 131.72 1spd s PRO 13 Ca 0.08 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.77 1spd s PRO 13 Cb -0.01 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1spd s PRO 13 CO 0.05 -2.28 0.14 1.55 0.04 0.00 0.00 177.00 176.51 1spd n VAL 14 N 6.79 0.00 -0.92 -0.36 3.14 -1.26 -4.46 118.33 121.25 1spd n VAL 14 Ca 0.38 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.33 1spd n VAL 14 Cb 0.49 1.33 -0.08 0.00 -1.06 0.00 0.00 33.84 34.52 1spd n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1spd n GLN 15 N 0.00 0.00 -4.35 1.45 3.00 -1.19 -1.97 117.38 114.32 1spd n GLN 15 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1spd n GLN 15 Cb 0.34 -1.05 -0.11 0.00 0.00 0.00 0.00 30.24 29.42 1spd n GLN 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1spd s GLY 16 N 3.93 1.45 -0.04 1.08 0.00 0.01 -3.12 107.32 110.63 1spd s GLY 16 Ca 0.83 -1.59 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1spd s GLY 16 CO 0.48 -1.66 -0.15 -1.50 0.00 0.00 0.00 173.10 170.27 1spd s ILE 17 N -2.43 1.25 -0.29 0.90 1.10 -0.50 -0.07 121.20 121.16 1spd s ILE 17 Ca 0.19 -0.63 -0.14 0.00 -0.51 0.00 0.00 60.65 59.57 1spd s ILE 17 Cb -0.04 -1.08 0.12 0.00 0.15 0.00 0.00 42.46 41.61 1spd s ILE 17 CO 0.07 0.37 0.79 -0.51 -2.11 0.00 0.00 174.94 173.55 1spd s ILE 18 N 0.03 -0.34 0.12 2.00 2.07 0.59 -1.49 121.20 124.18 1spd s ILE 18 Ca -0.02 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.26 1spd s ILE 18 Cb -0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 1spd s ILE 18 CO 0.01 0.00 -0.11 0.21 -1.91 0.00 0.00 174.94 173.15 1spd s ASN 19 N 2.03 1.65 -0.43 4.50 2.47 -0.05 -1.28 114.94 123.81 1spd s ASN 19 Ca -0.08 -0.88 -0.07 0.00 0.42 0.00 0.00 52.86 52.25 1spd s ASN 19 Cb -0.07 -0.01 0.10 0.00 -1.45 0.00 0.00 41.25 39.83 1spd s ASN 19 CO -0.18 -0.27 0.27 -0.36 -3.72 0.00 0.00 177.10 172.84 1spd s PHE 20 N -2.70 3.43 0.23 0.43 0.40 -0.92 -1.60 117.98 117.25 1spd s PHE 20 Ca 0.10 -1.90 -0.05 0.00 -0.60 0.00 0.00 56.93 54.48 1spd s PHE 20 Cb -0.01 -3.21 -0.05 0.00 0.51 0.00 0.00 43.02 40.26 1spd s PHE 20 CO 0.01 -0.94 0.48 -1.21 0.70 0.00 0.00 175.22 174.26 1spd s GLU 21 N 1.32 3.63 0.00 0.44 8.01 -0.69 -2.52 118.70 128.89 1spd s GLU 21 Ca 0.05 -0.05 0.00 0.00 0.01 0.00 0.00 54.97 54.98 1spd s GLU 21 Cb -0.24 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 26.85 1spd s GLU 21 CO -0.01 0.32 0.00 0.94 0.01 0.00 0.00 175.26 176.52 1spd n GLN 22 N -0.55 0.00 0.00 1.61 0.00 -1.26 -0.63 117.38 116.55 1spd n GLN 22 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1spd n GLN 22 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.77 1spd n GLN 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1spd n LYS 23 N 0.00 2.69 -3.28 3.69 5.02 -1.26 -4.47 118.16 120.55 1spd n LYS 23 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1spd n LYS 23 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1spd n LYS 23 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1spd n GLU 24 N 0.00 -0.94 0.00 1.97 4.71 -1.26 -1.76 120.64 123.36 1spd n GLU 24 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 1spd n GLU 24 Cb 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 31.44 30.15 1spd n GLU 24 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1spd n SER 25 N -0.05 0.00 -2.71 1.62 2.88 -1.26 -3.97 113.62 110.14 1spd n SER 25 Ca -0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.42 1spd n SER 25 Cb 0.13 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.69 1spd n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1spd n ASN 26 N 0.00 -2.04 -4.83 -3.46 5.15 -1.14 -4.87 115.26 104.08 1spd n ASN 26 Ca 0.00 -2.91 -0.38 0.00 -0.60 0.00 0.00 54.58 50.69 1spd n ASN 26 Cb 0.00 1.39 -0.06 0.00 -0.53 0.00 0.00 39.78 40.58 1spd n ASN 26 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1spd s GLY 27 N -1.16 2.46 1.31 8.20 0.00 -0.72 -5.08 107.32 112.33 1spd s GLY 27 Ca 0.21 -0.23 -0.21 0.00 0.00 0.00 0.00 44.72 44.49 1spd s GLY 27 CO -0.07 0.18 1.04 2.56 0.00 0.00 0.00 173.10 176.81 1spd s PRO 28 N -0.94 -2.03 0.13 2.90 0.04 -1.26 -4.43 135.00 129.41 1spd s PRO 28 Ca 0.24 -0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.33 1spd s PRO 28 Cb -0.16 -1.50 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1spd s PRO 28 CO 0.13 -4.25 -0.19 0.54 0.04 0.00 0.00 177.00 173.27 1spd s VAL 29 N -2.73 2.77 0.08 -0.36 0.11 -0.07 -4.47 120.40 115.74 1spd s VAL 29 Ca 0.70 -1.59 0.07 0.00 -2.93 0.00 0.00 61.98 58.24 1spd s VAL 29 Cb -0.10 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 1spd s VAL 29 CO 0.57 0.06 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.71 1spd s LYS 30 N -2.25 2.04 -0.03 1.54 1.02 0.20 -1.42 119.74 120.83 1spd s LYS 30 Ca 0.18 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 55.15 1spd s LYS 30 Cb -0.10 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1spd s LYS 30 CO 0.10 0.52 -0.06 0.14 -0.92 0.00 0.00 175.35 175.12 1spd s VAL 31 N -1.10 0.62 -0.10 3.17 -7.23 -0.21 -1.70 120.40 113.85 1spd s VAL 31 Ca 0.18 -0.22 -0.05 0.00 -1.81 0.00 0.00 61.98 60.08 1spd s VAL 31 Cb -0.11 -0.60 0.05 0.00 0.56 0.00 0.00 36.38 36.29 1spd s VAL 31 CO 0.10 0.22 0.23 -1.66 -0.31 0.00 0.00 175.10 173.68 1spd s TRP 32 N 0.56 -0.32 0.00 2.82 1.48 -0.63 -1.24 118.94 121.61 1spd s TRP 32 Ca -0.08 0.78 0.00 0.00 -1.06 0.00 0.00 56.10 55.74 1spd s TRP 32 Cb -0.11 -0.02 0.00 0.00 -1.16 0.00 0.00 33.47 32.18 1spd s TRP 32 CO 0.00 -0.26 0.00 0.41 -4.06 0.00 0.00 176.95 173.05 1spd n GLY 33 N 4.59 3.72 2.95 3.67 0.00 -0.88 -0.87 105.19 118.37 1spd n GLY 33 Ca -0.19 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 1spd n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1spd s SER 34 N 0.64 0.07 0.36 1.61 0.15 -0.56 -2.14 113.70 113.83 1spd s SER 34 Ca 0.00 -0.82 -0.14 0.00 0.70 0.00 0.00 55.95 55.69 1spd s SER 34 Cb 0.00 1.19 -0.08 0.00 -1.71 0.00 0.00 66.02 65.42 1spd s SER 34 CO 0.00 -0.28 0.76 -0.63 1.20 0.00 0.00 173.24 174.30 1spd s ILE 35 N 2.05 4.70 0.06 6.45 -1.09 0.50 -1.40 121.20 132.46 1spd s ILE 35 Ca 0.13 0.86 -0.09 0.00 -2.23 0.00 0.00 60.65 59.32 1spd s ILE 35 Cb -0.11 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1spd s ILE 35 CO -0.16 -0.33 0.20 -0.75 -1.23 0.00 0.00 174.94 172.67 1spd s LYS 36 N -3.34 0.76 -1.57 2.79 2.20 -0.83 -1.21 119.74 118.54 1spd s LYS 36 Ca 0.54 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1spd s LYS 36 Cb -0.10 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1spd s LYS 36 CO 0.23 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1spd n GLY 37 N 0.36 1.04 3.72 5.54 0.00 -0.59 -3.16 105.19 112.10 1spd n GLY 37 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1spd n GLY 37 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1spd s LEU 38 N -4.42 4.41 -0.04 0.99 2.34 -0.59 -4.90 118.68 116.46 1spd s LEU 38 Ca 0.00 1.63 -0.40 0.00 0.06 0.00 0.00 54.13 55.41 1spd s LEU 38 Cb 0.00 -3.49 -0.19 0.00 -0.56 0.00 0.00 46.19 41.94 1spd s LEU 38 CO 0.00 -0.17 1.18 0.41 -1.06 0.00 0.00 176.35 176.71 1spd n THR 39 N 3.49 0.01 -1.44 5.48 -1.04 -1.26 -3.96 114.28 115.55 1spd n THR 39 Ca 0.03 -0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.59 1spd n THR 39 Cb 0.50 -0.20 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 1spd n THR 39 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1spd n GLU 40 N 1.99 0.41 0.00 -2.82 2.13 -1.26 -4.54 120.64 116.55 1spd n GLU 40 Ca 0.21 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1spd n GLU 40 Cb 0.08 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1spd n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1spd n GLY 41 N 1.82 2.26 2.91 8.31 0.00 -1.02 -4.81 105.19 114.65 1spd n GLY 41 Ca 0.14 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1spd n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1spd s LEU 42 N 0.00 1.88 0.23 0.99 1.43 -1.26 -1.39 118.68 120.57 1spd s LEU 42 Ca 0.00 -0.81 0.09 0.00 -1.03 0.00 0.00 54.13 52.38 1spd s LEU 42 Cb 0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1spd s LEU 42 CO 0.00 -0.20 -0.04 -1.00 0.23 0.00 0.00 176.35 175.34 1spd s HIS 43 N 1.56 2.67 0.20 0.29 3.76 -0.17 -2.90 115.29 120.70 1spd s HIS 43 Ca -0.01 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 1spd s HIS 43 Cb -0.16 -1.23 -0.08 0.00 1.11 0.00 0.00 32.58 32.22 1spd s HIS 43 CO -0.08 0.59 1.08 0.20 -0.85 0.00 0.00 174.74 175.68 1spd s GLY 44 N -3.35 2.93 -0.32 -2.22 0.00 -1.14 -0.54 107.32 102.68 1spd s GLY 44 Ca 0.29 0.80 -0.02 0.00 0.00 0.00 0.00 44.72 45.80 1spd s GLY 44 CO 0.18 1.57 0.20 -0.12 0.00 0.00 0.00 173.10 174.94 1spd s PHE 45 N -0.51 0.24 0.39 1.90 2.19 -0.55 0.24 117.98 121.87 1spd s PHE 45 Ca 0.47 -0.96 0.08 0.00 0.33 0.00 0.00 56.93 56.85 1spd s PHE 45 Cb -0.29 -0.78 -0.07 0.00 -1.31 0.00 0.00 43.02 40.57 1spd s PHE 45 CO 0.36 -0.86 0.03 -1.01 1.83 0.00 0.00 175.22 175.57 1spd s HIS 46 N 1.79 2.52 -0.34 10.12 3.76 -0.69 0.26 115.29 132.71 1spd s HIS 46 Ca 0.12 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1spd s HIS 46 Cb -0.18 -1.71 0.11 0.00 1.11 0.00 0.00 32.58 31.92 1spd s HIS 46 CO -0.22 0.42 0.14 0.08 -0.85 0.00 0.00 174.74 174.30 1spd s VAL 47 N -2.64 1.01 -0.19 -0.90 1.01 0.19 -0.81 120.40 118.07 1spd s VAL 47 Ca 0.36 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.45 1spd s VAL 47 Cb 0.06 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1spd s VAL 47 CO 0.19 -0.74 0.42 -1.00 0.00 0.00 0.00 175.10 173.97 1spd s HIS 48 N 1.26 3.39 0.00 5.22 3.76 0.11 0.25 115.29 129.29 1spd s HIS 48 Ca 0.12 0.67 -0.00 0.00 -0.15 0.00 0.00 55.06 55.69 1spd s HIS 48 Cb -0.19 -2.54 -0.00 0.00 1.11 0.00 0.00 32.58 30.96 1spd s HIS 48 CO -0.17 0.01 0.52 -1.91 -0.85 0.00 0.00 174.74 172.34 1spd n GLU 49 N 4.38 -0.01 -2.87 1.40 2.13 -0.88 -1.33 120.64 123.46 1spd n GLU 49 Ca -0.08 0.52 -0.42 0.00 0.66 0.00 0.00 57.16 57.84 1spd n GLU 49 Cb 0.51 -0.79 -0.04 0.00 0.27 0.00 0.00 31.44 31.39 1spd n GLU 49 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1spd s PHE 50 N -3.07 3.12 -0.38 4.31 0.08 -0.91 -4.27 117.98 116.86 1spd s PHE 50 Ca -0.00 0.74 -0.06 0.00 0.12 0.00 0.00 56.93 57.72 1spd s PHE 50 Cb 0.00 -3.49 -0.19 0.00 -0.57 0.00 0.00 43.02 38.77 1spd s PHE 50 CO 0.01 -0.74 3.10 0.41 -0.10 0.00 0.00 175.22 177.90 1spd n GLY 51 N 4.36 3.06 3.74 4.36 0.00 -1.05 -3.50 105.19 116.16 1spd n GLY 51 Ca 0.05 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 1spd n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1spd s ASP 52 N 2.23 6.05 -0.10 1.61 2.15 -1.26 -4.82 116.67 122.53 1spd s ASP 52 Ca 0.59 0.25 0.16 0.00 0.43 0.00 0.00 52.55 53.98 1spd s ASP 52 Cb 0.25 -2.02 0.31 0.00 -0.30 0.00 0.00 42.92 41.17 1spd s ASP 52 CO -0.01 0.25 1.17 0.59 -0.17 0.00 0.00 175.17 176.99 1spd n ASN 53 N 3.06 0.12 -0.18 -0.34 3.02 -1.26 -3.21 115.26 116.47 1spd n ASN 53 Ca -0.17 -2.04 -0.07 0.00 -0.03 0.00 0.00 54.58 52.27 1spd n ASN 53 Cb 0.53 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.72 1spd n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1spd h THR 54 N 5.67 1.14 -3.60 3.41 1.35 -1.92 -2.80 112.91 116.15 1spd h THR 54 Ca -0.35 -0.28 -0.67 0.00 -0.55 0.00 0.00 66.41 64.57 1spd h THR 54 Cb 1.54 0.38 -0.39 0.00 -1.73 0.00 0.00 68.15 67.95 1spd h THR 54 CO -0.05 0.14 -0.66 0.00 -0.25 0.00 0.00 175.52 174.70 1spd s ALA 55 N -6.11 3.03 0.00 6.62 0.00 -1.26 -5.05 121.76 118.99 1spd s ALA 55 Ca -0.13 -2.65 0.00 0.00 0.00 0.00 0.00 51.96 49.18 1spd s ALA 55 Cb 0.12 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1spd s ALA 55 CO 0.75 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1spd n GLY 56 N 4.16 0.00 0.21 0.00 0.00 -1.06 -2.41 105.19 106.10 1spd n GLY 56 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1spd n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spd n THR 58 N -4.04 0.61 0.06 0.00 -2.24 -1.21 -3.13 114.28 104.33 1spd n THR 58 Ca -0.01 0.15 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 1spd n THR 58 Cb 0.48 -0.91 0.27 0.00 -2.10 0.00 0.00 70.33 68.07 1spd n THR 58 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1spd n SER 59 N -1.30 3.26 -0.33 3.42 3.41 -1.01 -4.16 113.62 116.90 1spd n SER 59 Ca 0.07 -2.00 0.15 0.00 -0.26 0.00 0.00 58.87 56.82 1spd n SER 59 Cb 0.12 -0.41 0.65 0.00 -0.26 0.00 0.00 64.21 64.31 1spd n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1spd n ALA 60 N 1.28 2.61 -0.53 7.33 0.00 -1.18 -4.19 120.51 125.83 1spd n ALA 60 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1spd n ALA 60 Cb 0.51 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1spd n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spd n GLY 61 N 1.13 2.32 3.75 0.00 0.00 -1.26 -2.14 105.19 108.98 1spd n GLY 61 Ca 0.20 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1spd n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1spd s PRO 62 N 0.00 1.21 0.86 1.61 0.02 -1.26 -4.76 135.00 132.67 1spd s PRO 62 Ca 0.00 0.51 -0.11 0.00 0.02 0.00 0.00 61.00 61.42 1spd s PRO 62 Cb 0.00 -1.83 0.11 0.00 0.02 0.00 0.00 34.50 32.80 1spd s PRO 62 CO 0.00 -2.19 1.10 -1.01 -0.33 0.00 0.00 177.00 174.56 1spd s HIS 63 N -3.12 2.26 -0.07 6.54 3.76 -1.26 -2.08 115.29 121.32 1spd s HIS 63 Ca 0.63 1.49 -0.29 0.00 -0.15 0.00 0.00 55.06 56.74 1spd s HIS 63 Cb -0.16 -3.14 -0.07 0.00 1.11 0.00 0.00 32.58 30.32 1spd s HIS 63 CO 0.55 -2.27 1.92 0.12 -0.85 0.00 0.00 174.74 174.22 1spd s PHE 64 N -2.84 1.47 -0.23 1.40 5.36 0.14 -4.42 117.98 118.85 1spd s PHE 64 Ca 0.63 -0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1spd s PHE 64 Cb -0.19 -4.09 0.09 0.00 -0.34 0.00 0.00 43.02 38.49 1spd s PHE 64 CO 0.57 -4.65 0.14 1.21 -1.46 0.00 0.00 175.22 171.04 1spd s ASN 65 N 5.04 2.59 -0.02 6.13 2.47 -1.26 -0.46 114.94 129.42 1spd s ASN 65 Ca 0.86 -0.82 -0.03 0.00 0.42 0.00 0.00 52.86 53.29 1spd s ASN 65 Cb -0.37 -0.12 -0.02 0.00 -1.45 0.00 0.00 41.25 39.30 1spd s ASN 65 CO 0.37 -0.38 0.26 -0.65 -3.72 0.00 0.00 177.10 172.97 1spd h PRO 66 N 8.39 -0.10 -1.10 0.43 0.11 -1.88 -3.42 132.00 134.43 1spd h PRO 66 Ca -0.17 0.01 0.43 0.00 0.11 0.00 0.00 66.00 66.38 1spd h PRO 66 Cb 1.09 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.05 1spd h PRO 66 CO 0.35 -0.06 0.63 -0.07 -0.21 0.00 0.00 178.00 178.64 1spd h LEU 67 N -0.35 0.30 -0.94 2.35 4.07 -1.93 -3.46 115.31 115.34 1spd h LEU 67 Ca -0.01 0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1spd h LEU 67 Cb 0.08 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1spd h LEU 67 CO 0.02 -0.38 0.00 -1.20 -1.08 0.00 0.00 178.44 175.80 1spd n SER 68 N -5.11 -1.73 -3.70 -0.43 7.64 -1.26 -5.09 113.62 103.92 1spd n SER 68 Ca 0.38 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.96 1spd n SER 68 Cb 1.35 -0.43 0.24 0.00 -1.01 0.00 0.00 64.21 64.35 1spd n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1spd s ARG 69 N -4.26 -1.04 0.00 1.43 1.81 -1.26 -5.12 118.95 110.52 1spd s ARG 69 Ca 0.00 -0.30 0.00 0.00 -1.72 0.00 0.00 55.73 53.71 1spd s ARG 69 Cb 0.00 -1.64 0.00 0.00 -0.45 0.00 0.00 34.95 32.86 1spd s ARG 69 CO 0.00 -3.55 0.00 1.63 -0.68 0.00 0.00 175.30 172.70 1spd n LYS 70 N -4.59 3.29 -2.65 3.54 4.01 -1.26 -4.88 118.16 115.61 1spd n LYS 70 Ca 0.16 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.55 1spd n LYS 70 Cb 0.60 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.08 1spd n LYS 70 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1spd s HIS 71 N 1.82 3.72 0.46 2.13 2.46 0.20 -2.07 115.29 124.02 1spd s HIS 71 Ca 0.00 1.71 -0.24 0.00 0.47 0.00 0.00 55.06 57.00 1spd s HIS 71 Cb 0.00 -3.14 -0.07 0.00 -0.13 0.00 0.00 32.58 29.24 1spd s HIS 71 CO 0.00 -0.13 1.26 0.20 -2.47 0.00 0.00 174.74 173.60 1spd s GLY 72 N 0.11 2.86 0.23 1.59 0.00 -1.25 -4.46 107.32 106.39 1spd s GLY 72 Ca 0.49 1.13 0.09 0.00 0.00 0.00 0.00 44.72 46.43 1spd s GLY 72 CO 0.31 1.65 -0.05 -0.32 0.00 0.00 0.00 173.10 174.69 1spd s GLY 73 N -1.05 1.70 0.12 0.20 0.00 -1.26 -4.46 107.32 102.57 1spd s GLY 73 Ca 0.63 -1.58 -0.24 0.00 0.00 0.00 0.00 44.72 43.54 1spd s GLY 73 CO 0.43 -1.62 1.32 -1.05 0.00 0.00 0.00 173.10 172.18 1spd n PRO 74 N -0.47 -0.34 -2.25 2.90 -0.02 -1.26 -3.10 135.00 130.46 1spd n PRO 74 Ca -0.08 1.30 -0.25 0.00 -2.02 0.00 0.00 63.50 62.45 1spd n PRO 74 Cb 0.57 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1spd n PRO 74 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1spd n LYS 75 N -4.81 3.46 -1.93 -0.52 2.85 -1.26 -4.87 118.16 111.07 1spd n LYS 75 Ca 0.02 -4.30 -0.30 0.00 -1.05 0.00 0.00 58.31 52.68 1spd n LYS 75 Cb 0.20 -2.24 0.21 0.00 -0.65 0.00 0.00 35.03 32.55 1spd n LYS 75 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1spd n ASP 76 N -0.59 0.10 -0.07 -5.58 2.03 -1.18 -4.94 116.55 106.32 1spd n ASP 76 Ca 0.41 -1.49 -0.11 0.00 0.52 0.00 0.00 54.79 54.12 1spd n ASP 76 Cb 0.83 -1.03 -0.09 0.00 -0.72 0.00 0.00 41.12 40.11 1spd n ASP 76 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1spd h GLU 77 N 0.00 0.00 -2.88 -0.67 4.81 -1.98 -3.40 114.58 110.47 1spd h GLU 77 Ca -0.44 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.08 1spd h GLU 77 Cb 1.20 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 1spd h GLU 77 CO 0.31 0.67 2.94 0.39 -0.73 0.00 0.00 179.01 182.59 1spd n GLU 78 N -4.63 4.14 -3.59 1.92 -0.58 -1.26 -4.95 120.64 111.68 1spd n GLU 78 Ca -0.10 -2.98 -0.41 0.00 -0.42 0.00 0.00 57.16 53.25 1spd n GLU 78 Cb 0.37 -2.74 -0.11 0.00 -0.57 0.00 0.00 31.44 28.39 1spd n GLU 78 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1spd s ARG 79 N 0.33 2.82 0.00 3.49 1.04 -1.26 -3.79 118.95 121.59 1spd s ARG 79 Ca 0.58 -1.08 0.00 0.00 -1.04 0.00 0.00 55.73 54.19 1spd s ARG 79 Cb 0.17 -3.75 0.00 0.00 -2.04 0.00 0.00 34.95 29.34 1spd s ARG 79 CO -0.08 -0.71 0.00 0.72 -0.04 0.00 0.00 175.30 175.20 1spd n HIS 80 N 5.01 0.00 0.00 5.89 8.25 -0.88 -4.66 115.22 128.83 1spd n HIS 80 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1spd n HIS 80 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1spd n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1spd n VAL 81 N -0.68 0.00 0.08 1.59 0.31 -0.97 -4.43 118.33 114.23 1spd n VAL 81 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1spd n VAL 81 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1spd n VAL 81 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1spd h GLY 82 N 0.00 0.00 -4.63 2.92 0.00 -0.96 -3.44 103.07 96.96 1spd h GLY 82 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1spd h GLY 82 CO 0.00 0.00 0.24 0.51 0.00 0.00 0.00 176.54 177.29 1spd s ASP 83 N -6.21 7.22 0.00 0.19 1.47 -1.26 0.53 116.67 118.61 1spd s ASP 83 Ca 0.00 1.47 0.00 0.00 1.18 0.00 0.00 52.55 55.21 1spd s ASP 83 Cb 0.08 -2.50 0.00 0.00 -0.34 0.00 0.00 42.92 40.16 1spd s ASP 83 CO 0.78 -0.16 0.96 0.18 0.68 0.00 0.00 175.17 177.61 1spd n LEU 84 N 3.65 1.90 0.00 2.11 4.77 0.14 -4.74 117.00 124.84 1spd n LEU 84 Ca 0.02 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1spd n LEU 84 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1spd n LEU 84 CO 0.50 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1spd n GLY 85 N -0.46 1.00 3.21 -0.72 0.00 -0.91 -4.59 105.19 102.72 1spd n GLY 85 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1spd n GLY 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1spd s ASN 86 N -4.00 0.17 0.02 1.61 3.04 -1.25 -1.47 114.94 113.06 1spd s ASN 86 Ca 0.00 -0.78 -0.01 0.00 0.04 0.00 0.00 52.86 52.11 1spd s ASN 86 Cb 0.00 0.34 -0.02 0.00 -1.54 0.00 0.00 41.25 40.03 1spd s ASN 86 CO 0.00 -0.74 -0.01 0.68 -3.04 0.00 0.00 177.10 173.99 1spd s VAL 87 N -3.90 0.12 -0.39 -5.21 -7.23 0.30 -4.81 120.40 99.28 1spd s VAL 87 Ca 0.09 -1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 59.17 1spd s VAL 87 Cb 0.05 -0.44 0.06 0.00 0.56 0.00 0.00 36.38 36.61 1spd s VAL 87 CO -0.08 -0.55 0.21 0.42 -0.31 0.00 0.00 175.10 174.79 1spd s THR 88 N -1.78 4.13 -1.12 5.32 -4.23 -1.23 -1.00 115.64 115.72 1spd s THR 88 Ca -0.13 -1.28 -0.18 0.00 -1.18 0.00 0.00 61.69 58.93 1spd s THR 88 Cb -0.07 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.43 1spd s THR 88 CO -0.02 -0.39 1.42 0.00 -0.54 0.00 0.00 174.62 175.09 1spd s ALA 89 N 1.43 3.45 -0.12 3.99 0.00 -0.49 -4.58 121.76 125.44 1spd s ALA 89 Ca 0.02 -2.91 -0.35 0.00 0.00 0.00 0.00 51.96 48.72 1spd s ALA 89 Cb -0.21 -4.29 -0.17 0.00 0.00 0.00 0.00 23.12 18.45 1spd s ALA 89 CO 0.03 -3.09 1.02 -3.47 0.00 0.00 0.00 175.76 170.25 1spd n ASP 90 N 7.06 0.29 0.00 0.00 2.03 -0.81 -2.44 116.55 122.68 1spd n ASP 90 Ca 0.35 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.64 1spd n ASP 90 Cb 0.47 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1spd n ASP 90 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1spd n LYS 91 N 1.86 0.00 -0.17 -0.67 3.00 -1.26 -1.22 118.16 119.71 1spd n LYS 91 Ca 0.19 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.53 1spd n LYS 91 Cb 0.03 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.17 1spd n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1spd n ASP 92 N 0.00 1.61 -2.24 3.14 8.00 -1.26 -4.50 116.55 121.29 1spd n ASP 92 Ca 0.00 -2.09 -0.08 0.00 0.71 0.00 0.00 54.79 53.32 1spd n ASP 92 Cb 0.00 -0.29 0.04 0.00 -0.02 0.00 0.00 41.12 40.86 1spd n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spd n GLY 93 N 0.63 0.00 3.66 0.44 0.00 -0.35 -4.60 105.19 104.97 1spd n GLY 93 Ca 0.08 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1spd n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1spd s VAL 94 N -3.18 4.27 -0.24 1.61 -7.23 -1.11 -1.53 120.40 112.99 1spd s VAL 94 Ca 0.06 -0.26 -0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1spd s VAL 94 Cb -0.01 -2.81 0.07 0.00 0.56 0.00 0.00 36.38 34.19 1spd s VAL 94 CO 0.36 0.59 -0.00 0.00 -0.31 0.00 0.00 175.10 175.74 1spd s ALA 95 N -0.70 1.66 0.13 1.32 0.00 -0.35 -1.92 121.76 121.89 1spd s ALA 95 Ca 0.11 -1.24 -0.28 0.00 0.00 0.00 0.00 51.96 50.55 1spd s ALA 95 Cb -0.12 -1.40 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 1spd s ALA 95 CO 0.02 -1.27 0.86 -0.51 0.00 0.00 0.00 175.76 174.86 1spd s ASP 96 N 1.54 7.42 0.22 0.00 1.01 -1.26 -0.37 116.67 125.23 1spd s ASP 96 Ca -0.02 1.69 -0.00 0.00 0.71 0.00 0.00 52.55 54.94 1spd s ASP 96 Cb -0.18 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1spd s ASP 96 CO -0.09 0.06 0.12 -0.69 0.21 0.00 0.00 175.17 174.78 1spd s VAL 97 N -0.51 0.17 -0.28 -1.27 1.01 -0.91 -4.80 120.40 113.81 1spd s VAL 97 Ca 0.41 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.24 1spd s VAL 97 Cb -0.23 -2.54 0.10 0.00 0.00 0.00 0.00 36.38 33.70 1spd s VAL 97 CO 0.28 0.00 0.71 -0.44 0.00 0.00 0.00 175.10 175.65 1spd s SER 98 N -3.21 -0.94 0.04 3.32 0.01 -1.14 -2.08 113.70 109.71 1spd s SER 98 Ca 0.39 1.46 0.01 0.00 1.31 0.00 0.00 55.95 59.11 1spd s SER 98 Cb 0.07 1.53 -0.03 0.00 0.21 0.00 0.00 66.02 67.80 1spd s SER 98 CO 0.13 -0.22 -0.05 -0.63 0.41 0.00 0.00 173.24 172.87 1spd s ILE 99 N 1.83 0.34 -0.22 1.44 1.01 -0.37 -4.92 121.20 120.31 1spd s ILE 99 Ca -0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 60.65 59.31 1spd s ILE 99 Cb -0.06 -0.72 0.10 0.00 0.01 0.00 0.00 42.46 41.79 1spd s ILE 99 CO -0.19 -0.58 0.24 -0.70 0.00 0.00 0.00 174.94 173.71 1spd s GLU 100 N -2.13 0.22 -0.07 2.79 2.56 -1.24 -1.04 118.70 119.79 1spd s GLU 100 Ca -0.07 0.14 -0.10 0.00 0.00 0.00 0.00 54.97 54.94 1spd s GLU 100 Cb -0.06 -1.08 0.02 0.00 2.00 0.00 0.00 34.13 35.02 1spd s GLU 100 CO -0.02 -0.73 0.25 0.34 -0.56 0.00 0.00 175.26 174.54 1spd s ASP 101 N 2.34 -0.22 0.01 -1.70 -1.08 -0.51 -4.90 116.67 110.61 1spd s ASP 101 Ca 0.08 0.36 -0.03 0.00 -0.52 0.00 0.00 52.55 52.44 1spd s ASP 101 Cb -0.15 0.46 -0.01 0.00 -1.46 0.00 0.00 42.92 41.75 1spd s ASP 101 CO -0.16 -0.18 1.04 0.28 0.52 0.00 0.00 175.17 176.67 1spd h SER 102 N 5.24 -0.16 -0.55 -0.34 0.02 -1.95 -0.15 113.55 115.68 1spd h SER 102 Ca -0.27 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1spd h SER 102 Cb 1.19 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 1spd h SER 102 CO 0.36 -0.03 0.37 0.58 -1.14 0.00 0.00 176.83 176.96 1spd h VAL 103 N -0.03 0.96 -1.32 2.27 2.07 -1.96 -3.37 116.25 114.87 1spd h VAL 103 Ca 0.01 -0.16 -0.59 0.00 0.82 0.00 0.00 66.70 66.78 1spd h VAL 103 Cb 0.05 0.46 -0.20 0.00 -1.52 0.00 0.00 31.29 30.07 1spd h VAL 103 CO -0.05 0.08 0.68 -0.38 0.02 0.00 0.00 177.57 177.92 1spd n ILE 104 N -4.47 3.56 -1.55 4.57 2.08 -1.25 -4.96 119.36 117.34 1spd n ILE 104 Ca 0.08 -3.45 -0.36 0.00 0.56 0.00 0.00 62.75 59.57 1spd n ILE 104 Cb 0.27 -1.54 0.09 0.00 -0.75 0.00 0.00 39.64 37.71 1spd n ILE 104 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1spd s SER 105 N -0.03 4.28 -0.37 4.38 0.15 -1.26 -4.80 113.70 116.05 1spd s SER 105 Ca 0.57 2.56 0.12 0.00 0.70 0.00 0.00 55.95 59.89 1spd s SER 105 Cb 0.38 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.53 1spd s SER 105 CO -0.26 -2.22 1.04 0.00 1.20 0.00 0.00 173.24 173.00 1spd n LEU 106 N -2.33 3.03 0.00 3.45 -0.00 -1.26 -3.96 117.00 115.92 1spd n LEU 106 Ca 0.15 -4.38 0.00 0.00 -0.00 0.00 0.00 56.01 51.79 1spd n LEU 106 Cb 0.49 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1spd n LEU 106 CO 0.47 1.85 0.00 -1.20 -0.00 0.00 0.00 177.39 178.52 1spd n SER 107 N -0.30 0.00 -4.04 1.45 7.64 -1.26 -4.77 113.62 112.34 1spd n SER 107 Ca 0.24 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.10 1spd n SER 107 Cb 0.76 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.95 1spd n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spd n GLY 108 N 0.00 -0.03 0.00 0.23 0.00 -1.26 -3.56 105.19 100.57 1spd n GLY 108 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1spd n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1spd n ASP 109 N 5.63 0.00 -1.00 1.61 -0.08 -1.26 -4.96 116.55 116.49 1spd n ASP 109 Ca 0.04 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.21 1spd n ASP 109 Cb 0.46 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.87 1spd n ASP 109 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1spd n HIS 110 N -1.82 -0.15 -2.02 -0.67 -0.00 -1.26 -4.90 115.22 104.41 1spd n HIS 110 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 1spd n HIS 110 Cb 0.00 -2.55 -0.02 0.00 -0.12 0.00 0.00 29.99 27.29 1spd n HIS 110 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1spd n ILE 112 N 2.69 0.71 -1.41 0.00 -5.35 -1.25 -4.94 119.36 109.80 1spd n ILE 112 Ca 0.08 -0.82 -0.35 0.00 -0.27 0.00 0.00 62.75 61.39 1spd n ILE 112 Cb 0.40 0.69 0.10 0.00 -1.74 0.00 0.00 39.64 39.09 1spd n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1spd n ILE 113 N 1.47 3.44 -0.94 7.28 -0.00 -1.26 -2.58 119.36 126.76 1spd n ILE 113 Ca 0.21 -0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 1spd n ILE 113 Cb 0.59 -1.33 0.00 0.00 -0.00 0.00 0.00 39.64 38.90 1spd n ILE 113 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1spd n GLY 114 N 0.76 0.46 3.47 7.39 0.00 -0.15 -5.00 105.19 112.12 1spd n GLY 114 Ca 0.15 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1spd n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1spd s ARG 115 N -1.26 1.66 0.05 1.61 0.52 -1.07 -2.54 118.95 117.92 1spd s ARG 115 Ca 0.00 -1.87 0.01 0.00 -0.52 0.00 0.00 55.73 53.36 1spd s ARG 115 Cb 0.00 -1.26 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 1spd s ARG 115 CO 0.00 0.01 0.10 0.99 0.02 0.00 0.00 175.30 176.43 1spd s THR 116 N -2.95 4.76 -0.12 0.02 2.01 -0.44 -1.19 115.64 117.72 1spd s THR 116 Ca 0.32 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1spd s THR 116 Cb 0.05 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1spd s THR 116 CO 0.14 0.20 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.84 1spd s LEU 117 N -2.21 2.23 -0.00 4.42 0.20 -0.02 0.09 118.68 123.40 1spd s LEU 117 Ca 0.28 -0.53 0.05 0.00 0.69 0.00 0.00 54.13 54.63 1spd s LEU 117 Cb -0.12 -1.47 -0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1spd s LEU 117 CO 0.21 0.13 -0.16 0.54 -0.29 0.00 0.00 176.35 176.77 1spd s VAL 118 N 0.55 1.29 -0.38 1.68 0.11 0.01 -1.14 120.40 122.52 1spd s VAL 118 Ca -0.12 -0.76 -0.15 0.00 -2.93 0.00 0.00 61.98 58.02 1spd s VAL 118 Cb -0.17 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1spd s VAL 118 CO 0.04 0.31 0.30 0.54 -3.33 0.00 0.00 175.10 172.97 1spd s VAL 119 N -0.45 5.24 0.24 2.04 0.11 -1.09 -1.70 120.40 124.78 1spd s VAL 119 Ca 0.06 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 1spd s VAL 119 Cb -0.07 -3.86 -0.09 0.00 -1.53 0.00 0.00 36.38 30.84 1spd s VAL 119 CO -0.00 -0.20 0.94 -1.00 -3.33 0.00 0.00 175.10 171.51 1spd s HIS 120 N 1.78 3.99 0.37 1.54 3.76 0.14 -3.08 115.29 123.79 1spd s HIS 120 Ca 0.07 1.91 0.18 0.00 -0.15 0.00 0.00 55.06 57.07 1spd s HIS 120 Cb -0.18 -2.97 1.12 0.00 1.11 0.00 0.00 32.58 31.65 1spd s HIS 120 CO 0.11 0.46 1.70 1.49 -0.85 0.00 0.00 174.74 177.65 1spd h GLU 121 N 4.16 0.34 0.00 1.40 4.22 -1.35 -3.00 114.58 120.35 1spd h GLU 121 Ca -0.45 -0.02 -0.18 0.00 0.08 0.00 0.00 59.36 58.79 1spd h GLU 121 Cb 1.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1spd h GLU 121 CO 0.68 0.23 -0.11 1.17 -2.18 0.00 0.00 179.01 178.79 1spd n LYS 122 N -4.83 1.50 -2.45 1.92 4.81 -0.63 -4.89 118.16 113.59 1spd n LYS 122 Ca 0.30 -1.02 -0.42 0.00 -0.87 0.00 0.00 58.31 56.30 1spd n LYS 122 Cb 0.99 0.21 -0.02 0.00 0.02 0.00 0.00 35.03 36.23 1spd n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1spd s ALA 123 N -2.24 2.89 -0.38 3.14 0.00 -1.14 -2.87 121.76 121.15 1spd s ALA 123 Ca 0.03 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1spd s ALA 123 Cb -0.00 -4.07 0.01 0.00 0.00 0.00 0.00 23.12 19.06 1spd s ALA 123 CO 0.02 -2.80 1.31 0.34 0.00 0.00 0.00 175.76 174.63 1spd s ASP 124 N 3.89 6.52 -0.43 0.00 -1.08 -1.26 -4.52 116.67 119.79 1spd s ASP 124 Ca 0.50 0.90 -0.02 0.00 -0.52 0.00 0.00 52.55 53.41 1spd s ASP 124 Cb -0.10 -2.54 0.22 0.00 -1.46 0.00 0.00 42.92 39.04 1spd s ASP 124 CO 0.26 -1.26 2.21 -0.90 0.52 0.00 0.00 175.17 176.00 1spd n ASP 125 N 8.17 6.72 0.00 -0.34 5.75 -1.22 -4.82 116.55 130.81 1spd n ASP 125 Ca 0.15 -3.25 0.00 0.00 -0.01 0.00 0.00 54.79 51.68 1spd n ASP 125 Cb 0.48 -1.09 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 1spd n ASP 125 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1spd n LEU 126 N 0.24 0.00 0.00 -2.12 4.77 -1.26 -4.32 117.00 114.30 1spd n LEU 126 Ca 0.41 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1spd n LEU 126 Cb 0.57 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1spd n LEU 126 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1spd n GLY 127 N -1.04 1.88 0.10 -0.72 0.00 -1.20 -4.25 105.19 99.96 1spd n GLY 127 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.86 1spd n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1spd n LYS 128 N 0.00 0.05 -1.02 1.61 4.01 -1.26 -2.12 118.16 119.43 1spd n LYS 128 Ca 0.00 0.46 -0.30 0.00 -0.51 0.00 0.00 58.31 57.96 1spd n LYS 128 Cb 0.00 -1.93 -0.02 0.00 -0.51 0.00 0.00 35.03 32.57 1spd n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1spd n GLY 129 N -1.29 3.67 0.00 0.72 0.00 -1.26 -4.83 105.19 102.20 1spd n GLY 129 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1spd n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spd n GLY 130 N 3.66 0.00 3.36 -0.02 0.00 -0.90 -4.79 105.19 106.51 1spd n GLY 130 Ca 0.61 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.66 1spd n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1spd s ASN 131 N 0.00 -0.24 -1.15 1.61 0.01 -1.26 -5.03 114.94 108.88 1spd s ASN 131 Ca 0.00 0.34 -0.21 0.00 -0.71 0.00 0.00 52.86 52.28 1spd s ASN 131 Cb 0.00 1.23 0.01 0.00 0.41 0.00 0.00 41.25 42.90 1spd s ASN 131 CO 0.00 -0.05 1.74 -1.61 -1.51 0.00 0.00 177.10 175.68 1spd s GLU 132 N 1.91 3.34 0.00 -0.60 8.01 -1.26 -1.69 118.70 128.41 1spd s GLU 132 Ca -0.03 -1.35 0.00 0.00 0.01 0.00 0.00 54.97 53.61 1spd s GLU 132 Cb -0.03 -5.36 0.00 0.00 -4.31 0.00 0.00 34.13 24.43 1spd s GLU 132 CO -0.15 -2.81 0.00 -1.91 0.01 0.00 0.00 175.26 170.39 1spd n GLU 133 N 8.56 0.00 0.17 1.61 0.00 -1.26 -4.85 120.64 124.87 1spd n GLU 133 Ca 0.43 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.77 1spd n GLU 133 Cb 0.47 0.00 0.80 0.00 0.00 0.00 0.00 31.44 32.71 1spd n GLU 133 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1spd h SER 134 N 0.00 0.00 0.88 4.31 4.64 -1.68 1.31 113.55 123.01 1spd h SER 134 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1spd h SER 134 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1spd h SER 134 CO 0.00 0.00 -0.62 0.35 -0.87 0.00 0.00 176.83 175.69 1spd n THR 135 N -3.82 0.36 0.00 2.95 -2.24 -0.68 -0.72 114.28 110.13 1spd n THR 135 Ca 0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1spd n THR 135 Cb 0.41 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1spd n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1spd n LYS 136 N -2.12 0.00 -2.47 -0.78 0.00 0.44 -0.63 118.16 112.61 1spd n LYS 136 Ca 0.03 0.35 -0.22 0.00 0.00 0.00 0.00 58.31 58.47 1spd n LYS 136 Cb 0.44 -1.13 0.01 0.00 0.00 0.00 0.00 35.03 34.35 1spd n LYS 136 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1spd n THR 137 N -1.54 2.07 -3.97 3.15 -2.24 -0.62 -4.72 114.28 106.41 1spd n THR 137 Ca 0.00 -4.39 -0.36 0.00 -2.27 0.00 0.00 64.05 57.03 1spd n THR 137 Cb 0.00 -0.77 0.01 0.00 -2.10 0.00 0.00 70.33 67.48 1spd n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1spd n GLY 138 N -0.43 -0.69 0.44 3.38 0.00 0.10 -2.51 105.19 105.48 1spd n GLY 138 Ca 0.32 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1spd n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1spd n ASN 139 N -1.52 0.00 0.06 1.61 5.03 -1.24 -3.44 115.26 115.76 1spd n ASN 139 Ca -0.10 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.38 1spd n ASN 139 Cb 0.45 0.00 0.42 0.00 -1.02 0.00 0.00 39.78 39.63 1spd n ASN 139 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1spd h ALA 140 N 1.86 1.63 0.00 5.41 0.00 -1.72 -3.45 119.26 122.99 1spd h ALA 140 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1spd h ALA 140 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1spd h ALA 140 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1spd n GLY 141 N -1.24 -1.49 3.14 0.00 0.00 -1.26 -1.61 105.19 102.72 1spd n GLY 141 Ca 0.01 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1spd n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1spd n SER 142 N 0.04 -2.65 -4.20 1.61 7.64 -1.26 -4.61 113.62 110.19 1spd n SER 142 Ca 0.00 -0.17 -0.37 0.00 1.01 0.00 0.00 58.87 59.34 1spd n SER 142 Cb 0.00 -0.80 -0.12 0.00 -1.01 0.00 0.00 64.21 62.28 1spd n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1spd s ARG 143 N -3.12 2.39 0.00 1.43 0.52 -1.26 -1.32 118.95 117.59 1spd s ARG 143 Ca 0.46 -1.48 0.25 0.00 -0.52 0.00 0.00 55.73 54.43 1spd s ARG 143 Cb -0.05 -3.54 0.65 0.00 0.52 0.00 0.00 34.95 32.53 1spd s ARG 143 CO 0.56 -0.87 1.52 1.47 0.02 0.00 0.00 175.30 178.00 1spd n LEU 144 N 4.74 2.25 0.00 2.53 -0.00 -1.18 -4.92 117.00 120.43 1spd n LEU 144 Ca -0.09 -0.83 0.00 0.00 -0.00 0.00 0.00 56.01 55.10 1spd n LEU 144 Cb 0.43 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1spd n LEU 144 CO 0.33 0.41 0.00 0.00 -0.00 0.00 0.00 177.39 178.14 1spd n ALA 145 N 0.74 0.00 -2.56 1.47 0.00 -1.26 -4.21 120.51 114.68 1spd n ALA 145 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 1spd n ALA 145 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 1spd n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1spd s GLY 147 N -3.18 -0.58 -0.16 0.00 0.00 -0.29 -0.01 107.32 103.11 1spd s GLY 147 Ca 0.34 0.78 -0.07 0.00 0.00 0.00 0.00 44.72 45.77 1spd s GLY 147 CO 0.16 0.37 0.08 0.14 0.00 0.00 0.00 173.10 173.84 1spd s VAL 148 N -3.08 4.93 -0.17 1.40 1.01 -1.26 -0.84 120.40 122.40 1spd s VAL 148 Ca -0.01 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1spd s VAL 148 Cb -0.01 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1spd s VAL 148 CO -0.08 0.51 1.27 -0.63 0.00 0.00 0.00 175.10 176.18 1spd s ILE 149 N -0.12 4.26 0.22 2.22 1.09 -0.33 -4.45 121.20 124.09 1spd s ILE 149 Ca 0.08 1.52 0.04 0.00 -1.10 0.00 0.00 60.65 61.19 1spd s ILE 149 Cb -0.12 -4.00 -0.02 0.00 -1.06 0.00 0.00 42.46 37.27 1spd s ILE 149 CO 0.01 -0.15 0.15 0.61 -0.10 0.00 0.00 174.94 175.46 1spd n GLY 150 N 3.65 3.40 3.71 6.18 0.00 -0.99 -0.97 105.19 120.17 1spd n GLY 150 Ca 0.14 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1spd n GLY 150 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1spd s ILE 151 N -2.74 4.97 0.43 -0.61 -0.00 -1.26 -2.16 121.20 119.82 1spd s ILE 151 Ca 0.21 1.67 0.05 0.00 -0.00 0.00 0.00 60.65 62.58 1spd s ILE 151 Cb 0.01 -4.14 0.05 0.00 -0.00 0.00 0.00 42.46 38.37 1spd s ILE 151 CO 0.15 0.19 0.40 0.00 -0.00 0.00 0.00 174.94 175.68 1spd n ALA 152 N 4.01 0.73 0.77 2.27 0.00 -0.85 -4.72 120.51 122.73 1spd n ALA 152 Ca 0.02 -1.67 0.06 0.00 0.00 0.00 0.00 53.44 51.85 1spd n ALA 152 Cb 0.51 0.63 0.37 0.00 0.00 0.00 0.00 19.45 20.96 1spd n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50