#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2atp s ILE 2 N 0.00 4.27 -0.14 -0.08 1.09 -1.22 -1.89 121.20 123.23 2atp s ILE 2 Ca 0.00 1.38 -0.07 0.00 -1.10 0.00 0.00 60.65 60.86 2atp s ILE 2 Cb 0.00 -4.47 -0.04 0.00 -1.06 0.00 0.00 42.46 36.89 2atp s ILE 2 CO 0.00 -0.76 0.11 -1.58 -0.10 0.00 0.00 174.94 172.61 2atp s GLN 3 N 4.20 3.61 -0.01 2.79 0.74 -1.26 -0.13 119.66 129.60 2atp s GLN 3 Ca 0.49 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.70 2atp s GLN 3 Cb -0.10 -3.20 0.01 0.00 1.10 0.00 0.00 33.01 30.82 2atp s GLN 3 CO 0.26 0.61 -0.02 0.99 -0.55 0.00 0.00 175.29 176.57 2atp s THR 4 N -0.55 0.22 0.66 -0.34 2.01 0.41 -4.27 115.64 113.78 2atp s THR 4 Ca 0.12 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 2atp s THR 4 Cb -0.12 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.16 2atp s THR 4 CO 0.02 0.09 1.04 -2.16 -0.69 0.00 0.00 174.62 172.93 2atp s PRO 5 N 0.30 3.00 0.27 4.92 0.04 -1.26 -1.31 135.00 140.96 2atp s PRO 5 Ca -0.03 0.41 0.14 0.00 0.04 0.00 0.00 61.00 61.56 2atp s PRO 5 Cb -0.06 -2.09 0.18 0.00 0.04 0.00 0.00 34.50 32.58 2atp s PRO 5 CO -0.01 -0.88 1.49 0.66 0.04 0.00 0.00 177.00 178.31 2atp h SER 6 N -0.49 0.00 -4.63 6.66 4.64 -1.74 -3.38 113.55 114.61 2atp h SER 6 Ca -0.45 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.72 2atp h SER 6 Cb 1.24 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.11 2atp h SER 6 CO 0.63 0.58 -0.49 -0.55 -0.87 0.00 0.00 176.83 176.13 2atp s SER 7 N -6.52 -0.04 -0.18 4.97 0.15 -1.26 -0.77 113.70 110.04 2atp s SER 7 Ca 0.02 -0.03 -0.11 0.00 0.70 0.00 0.00 55.95 56.53 2atp s SER 7 Cb 0.09 0.26 0.06 0.00 -1.71 0.00 0.00 66.02 64.72 2atp s SER 7 CO 0.75 -0.28 0.44 -0.22 1.20 0.00 0.00 173.24 175.13 2atp s LEU 8 N -0.95 -0.12 -0.28 3.45 2.96 0.79 -4.88 118.68 119.66 2atp s LEU 8 Ca -0.10 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 2atp s LEU 8 Cb -0.06 1.48 0.06 0.00 0.50 0.00 0.00 46.19 48.17 2atp s LEU 8 CO 0.01 -0.19 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.56 2atp s LEU 9 N 1.25 3.67 0.24 -0.68 2.96 -1.26 -1.15 118.68 123.70 2atp s LEU 9 Ca -0.08 -1.47 0.11 0.00 -0.22 0.00 0.00 54.13 52.47 2atp s LEU 9 Cb -0.07 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2atp s LEU 9 CO -0.11 -0.22 -0.21 0.68 -1.32 0.00 0.00 176.35 175.16 2atp s VAL 10 N 1.10 2.35 0.28 1.68 -7.23 -1.03 -5.02 120.40 112.53 2atp s VAL 10 Ca -0.06 -2.23 -0.09 0.00 -1.81 0.00 0.00 61.98 57.78 2atp s VAL 10 Cb -0.20 -2.20 -0.07 0.00 0.56 0.00 0.00 36.38 34.48 2atp s VAL 10 CO -0.05 -0.30 0.61 0.00 -0.31 0.00 0.00 175.10 175.05 2atp s GLN 11 N -3.17 3.78 0.39 4.82 -2.07 -1.26 -2.35 119.66 119.80 2atp s GLN 11 Ca 0.25 0.30 -0.24 0.00 -1.82 0.00 0.00 55.36 53.85 2atp s GLN 11 Cb -0.06 -2.58 -0.12 0.00 -1.09 0.00 0.00 33.01 29.16 2atp s GLN 11 CO 0.12 0.21 0.82 2.41 -1.32 0.00 0.00 175.29 177.54 2atp n THR 12 N -0.54 2.12 -1.10 3.63 -1.04 -0.75 -2.48 114.28 114.12 2atp n THR 12 Ca 0.01 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.48 2atp n THR 12 Cb 0.53 -0.85 -0.01 0.00 -1.82 0.00 0.00 70.33 68.18 2atp n THR 12 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2atp n ASN 13 N 0.96 -3.95 -4.14 8.00 4.13 0.32 -4.94 115.26 115.65 2atp n ASN 13 Ca 0.11 0.09 -0.22 0.00 1.68 0.00 0.00 54.58 56.23 2atp n ASN 13 Cb 0.37 -1.75 -0.02 0.00 -1.54 0.00 0.00 39.78 36.84 2atp n ASN 13 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2atp n HIS 14 N -2.72 -0.14 -4.14 3.10 8.25 -1.03 -4.42 115.22 114.11 2atp n HIS 14 Ca -0.03 -1.85 -0.34 0.00 -0.26 0.00 0.00 57.72 55.23 2atp n HIS 14 Cb 0.20 -0.31 -0.10 0.00 1.12 0.00 0.00 29.99 30.90 2atp n HIS 14 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2atp s THR 15 N -2.22 4.57 -0.43 1.59 2.01 -1.26 -1.90 115.64 117.99 2atp s THR 15 Ca 0.15 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 2atp s THR 15 Cb -0.01 -3.02 0.05 0.00 0.01 0.00 0.00 72.50 69.53 2atp s THR 15 CO 0.09 0.50 0.33 0.00 -0.69 0.00 0.00 174.62 174.85 2atp s ALA 16 N 0.08 3.48 -0.07 7.40 0.00 0.26 -4.94 121.76 127.97 2atp s ALA 16 Ca 0.04 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.04 2atp s ALA 16 Cb -0.13 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2atp s ALA 16 CO 0.01 -1.58 0.11 0.21 0.00 0.00 0.00 175.76 174.51 2atp s LYS 17 N 1.63 3.30 0.19 0.00 2.20 -1.26 -1.55 119.74 124.24 2atp s LYS 17 Ca 0.04 -0.28 -0.15 0.00 -0.36 0.00 0.00 55.97 55.23 2atp s LYS 17 Cb -0.22 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 2atp s LYS 17 CO 0.08 0.72 0.45 0.00 -0.36 0.00 0.00 175.35 176.24 2atp s MET 18 N -1.31 1.34 0.26 4.03 0.23 -0.13 -4.62 119.30 119.09 2atp s MET 18 Ca 0.19 -1.00 -0.21 0.00 -1.03 0.00 0.00 55.69 53.63 2atp s MET 18 Cb -0.12 0.48 0.03 0.00 -1.53 0.00 0.00 34.83 33.68 2atp s MET 18 CO 0.08 -0.55 0.70 -1.54 -2.03 0.00 0.00 175.02 171.68 2atp s SER 19 N -2.92 -0.31 0.01 -1.18 1.04 -0.43 -0.08 113.70 109.83 2atp s SER 19 Ca 0.13 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 56.01 2atp s SER 19 Cb 0.00 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 2atp s SER 19 CO -0.00 -1.29 0.04 0.00 0.98 0.00 0.00 173.24 172.96 2atp s GLU 21 N -1.13 3.26 0.33 0.00 2.02 0.81 -3.35 118.70 120.64 2atp s GLU 21 Ca -0.12 -0.44 -0.26 0.00 0.02 0.00 0.00 54.97 54.17 2atp s GLU 21 Cb -0.07 -3.98 -0.10 0.00 0.10 0.00 0.00 34.13 30.08 2atp s GLU 21 CO 0.00 -1.09 0.95 0.08 0.02 0.00 0.00 175.26 175.22 2atp s VAL 22 N 2.90 4.19 -0.01 2.63 1.01 0.20 -3.46 120.40 127.86 2atp s VAL 22 Ca 0.22 1.81 0.05 0.00 0.00 0.00 0.00 61.98 64.06 2atp s VAL 22 Cb -0.15 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2atp s VAL 22 CO 0.18 0.13 -0.15 -1.59 0.00 0.00 0.00 175.10 173.67 2atp s LYS 23 N -2.08 1.20 -0.39 2.72 0.00 -1.26 -4.84 119.74 115.09 2atp s LYS 23 Ca 0.51 -0.55 -0.14 0.00 0.00 0.00 0.00 55.97 55.78 2atp s LYS 23 Cb -0.19 -1.16 0.02 0.00 0.00 0.00 0.00 37.83 36.50 2atp s LYS 23 CO 0.24 0.32 0.54 0.43 0.00 0.00 0.00 175.35 176.88 2atp n SER 24 N 2.67 -7.41 -4.63 0.03 7.64 -1.26 -5.01 113.62 105.66 2atp n SER 24 Ca -0.14 0.48 -0.30 0.00 1.01 0.00 0.00 58.87 59.92 2atp n SER 24 Cb 0.55 -4.99 0.19 0.00 -1.01 0.00 0.00 64.21 58.94 2atp n SER 24 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2atp s ILE 25 N -2.46 2.13 0.00 0.44 1.01 -1.26 -5.22 121.20 115.84 2atp s ILE 25 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2atp s ILE 25 Cb -0.06 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2atp s ILE 25 CO 0.70 -0.06 0.00 -1.20 0.00 0.00 0.00 174.94 174.38 2atp n SER 26 N -4.40 0.00 -4.70 3.58 7.64 -1.26 -5.24 113.62 109.25 2atp n SER 26 Ca 0.09 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 2atp n SER 26 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 2atp n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2atp s SER 30 N -4.00 6.43 -0.11 6.43 0.01 -1.26 -4.94 113.70 116.26 2atp s SER 30 Ca 0.00 2.76 0.02 0.00 1.31 0.00 0.00 55.95 60.04 2atp s SER 30 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2atp s SER 30 CO 0.00 -0.99 -0.17 -0.51 0.41 0.00 0.00 173.24 171.98 2atp s ILE 31 N 2.45 2.68 0.11 1.44 1.10 0.16 -4.31 121.20 124.83 2atp s ILE 31 Ca 0.79 -0.80 0.09 0.00 -0.51 0.00 0.00 60.65 60.22 2atp s ILE 31 Cb -0.46 -2.08 -0.04 0.00 0.15 0.00 0.00 42.46 40.02 2atp s ILE 31 CO 0.35 0.54 -0.18 -0.31 -2.11 0.00 0.00 174.94 173.24 2atp s TYR 32 N 0.27 2.54 -0.06 3.50 1.51 0.16 -0.20 117.35 125.07 2atp s TYR 32 Ca -0.12 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 2atp s TYR 32 Cb -0.16 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 2atp s TYR 32 CO 0.06 0.38 -0.08 -1.58 -1.11 0.00 0.00 175.55 173.22 2atp s TRP 33 N -1.13 1.15 0.31 2.71 0.52 -0.08 -0.46 118.94 121.97 2atp s TRP 33 Ca 0.18 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.93 2atp s TRP 33 Cb -0.11 -0.91 -0.06 0.00 -1.15 0.00 0.00 33.47 31.24 2atp s TRP 33 CO 0.10 -0.26 0.04 -0.51 0.02 0.00 0.00 176.95 176.33 2atp s LEU 34 N 0.88 2.24 0.01 2.99 2.01 0.75 -1.68 118.68 125.88 2atp s LEU 34 Ca -0.11 -1.34 0.04 0.00 0.01 0.00 0.00 54.13 52.73 2atp s LEU 34 Cb -0.15 -0.42 -0.02 0.00 0.01 0.00 0.00 46.19 45.62 2atp s LEU 34 CO 0.01 -0.56 -0.14 -0.60 1.01 0.00 0.00 176.35 176.07 2atp s ARG 35 N -3.86 1.02 -0.30 1.70 3.52 0.24 -1.31 118.95 119.95 2atp s ARG 35 Ca 0.35 -0.61 -0.08 0.00 -0.13 0.00 0.00 55.73 55.26 2atp s ARG 35 Cb 0.08 -1.01 -0.00 0.00 -1.56 0.00 0.00 34.95 32.46 2atp s ARG 35 CO 0.15 0.26 0.12 -2.00 -0.81 0.00 0.00 175.30 173.02 2atp s GLU 36 N -0.68 3.30 -0.11 5.12 2.12 -0.48 -0.21 118.70 127.75 2atp s GLU 36 Ca 0.04 -0.73 -0.14 0.00 0.36 0.00 0.00 54.97 54.49 2atp s GLU 36 Cb -0.06 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 2atp s GLU 36 CO 0.00 -0.39 0.34 1.03 -0.54 0.00 0.00 175.26 175.70 2atp s ARG 37 N 1.58 4.14 -0.30 4.30 0.52 -0.53 -3.88 118.95 124.77 2atp s ARG 37 Ca 0.04 0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.50 2atp s ARG 37 Cb -0.17 -3.37 0.08 0.00 0.52 0.00 0.00 34.95 32.02 2atp s ARG 37 CO 0.05 0.36 -0.03 -1.14 0.02 0.00 0.00 175.30 174.55 2atp s GLN 38 N 0.05 1.87 -0.89 3.54 2.00 -1.26 -2.88 119.66 122.09 2atp s GLN 38 Ca 0.20 -1.61 0.00 0.00 -2.00 0.00 0.00 55.36 51.95 2atp s GLN 38 Cb -0.14 -3.04 0.29 0.00 0.80 0.00 0.00 33.01 30.91 2atp s GLN 38 CO 0.07 -0.75 1.19 -0.25 -0.50 0.00 0.00 175.29 175.05 2atp n ASP 39 N 4.34 5.34 -0.16 6.67 8.00 -1.01 -4.93 116.55 134.82 2atp n ASP 39 Ca -0.05 -3.44 0.00 0.00 0.71 0.00 0.00 54.79 52.00 2atp n ASP 39 Cb 0.42 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 2atp n ASP 39 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2atp n PRO 40 N 1.05 -0.28 0.00 -0.24 -0.02 -1.26 -3.07 135.00 131.17 2atp n PRO 40 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2atp n PRO 40 Cb 0.36 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.75 2atp n PRO 40 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2atp n LYS 41 N -0.03 0.00 -4.44 -0.52 2.85 -1.26 -5.14 118.16 109.62 2atp n LYS 41 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 2atp n LYS 41 Cb 0.00 -0.01 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 2atp n LYS 41 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2atp s ASP 42 N -1.41 3.74 -0.05 -5.58 -1.08 -1.18 -5.14 116.67 105.97 2atp s ASP 42 Ca 0.00 -0.96 -0.02 0.00 -0.52 0.00 0.00 52.55 51.05 2atp s ASP 42 Cb 0.00 -0.39 0.04 0.00 -1.46 0.00 0.00 42.92 41.11 2atp s ASP 42 CO 0.00 0.04 0.11 -0.75 0.52 0.00 0.00 175.17 175.09 2atp s LYS 43 N -3.52 0.04 -0.09 4.34 2.20 -1.26 -2.39 119.74 119.06 2atp s LYS 43 Ca 0.30 0.33 -0.20 0.00 -0.36 0.00 0.00 55.97 56.05 2atp s LYS 43 Cb -0.05 -0.22 0.04 0.00 -1.51 0.00 0.00 37.83 36.10 2atp s LYS 43 CO 0.16 -0.18 0.47 1.52 -0.36 0.00 0.00 175.35 176.96 2atp s TYR 44 N 1.25 -0.44 0.34 4.03 -0.85 -1.14 -5.01 117.35 115.53 2atp s TYR 44 Ca -0.08 0.90 -0.14 0.00 -0.52 0.00 0.00 57.07 57.23 2atp s TYR 44 Cb -0.12 0.21 -0.09 0.00 0.38 0.00 0.00 41.96 42.34 2atp s TYR 44 CO -0.05 -0.39 0.75 -0.06 -1.52 0.00 0.00 175.55 174.29 2atp s PHE 45 N -0.64 3.39 -0.01 -3.49 0.08 -1.26 -1.46 117.98 114.59 2atp s PHE 45 Ca -0.07 1.21 -0.09 0.00 0.12 0.00 0.00 56.93 58.09 2atp s PHE 45 Cb -0.03 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.89 2atp s PHE 45 CO 0.04 0.04 0.18 -1.83 -0.10 0.00 0.00 175.22 173.56 2atp s GLU 46 N -3.15 0.51 -0.15 0.44 -1.05 0.71 -4.96 118.70 111.05 2atp s GLU 46 Ca 0.54 -0.29 -0.29 0.00 -0.15 0.00 0.00 54.97 54.78 2atp s GLU 46 Cb -0.10 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.79 2atp s GLU 46 CO 0.20 -0.12 1.22 0.12 0.95 0.00 0.00 175.26 177.62 2atp s PHE 47 N -1.24 2.99 -0.10 4.83 5.36 -1.26 -0.60 117.98 127.97 2atp s PHE 47 Ca -0.13 1.12 -0.08 0.00 -0.96 0.00 0.00 56.93 56.88 2atp s PHE 47 Cb -0.06 -3.45 -0.03 0.00 -0.34 0.00 0.00 43.02 39.14 2atp s PHE 47 CO 0.02 -1.45 -0.15 -0.11 -1.46 0.00 0.00 175.22 172.07 2atp n LEU 48 N 6.23 1.15 -3.75 6.12 7.94 -0.67 -4.12 117.00 129.90 2atp n LEU 48 Ca 0.13 0.38 -0.07 0.00 -1.11 0.00 0.00 56.01 55.35 2atp n LEU 48 Cb 0.45 -0.70 -0.02 0.00 0.53 0.00 0.00 43.42 43.68 2atp n LEU 48 CO 0.55 -0.44 0.56 0.00 -1.11 0.00 0.00 177.39 176.95 2atp s ALA 49 N -2.87 -1.45 0.05 1.96 0.00 -1.07 -0.19 121.76 118.18 2atp s ALA 49 Ca -0.12 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 2atp s ALA 49 Cb 0.02 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.92 2atp s ALA 49 CO 0.18 -0.98 0.38 -1.54 0.00 0.00 0.00 175.76 173.80 2atp s SER 50 N -2.88 -0.23 -0.13 0.00 1.04 0.01 -0.90 113.70 110.61 2atp s SER 50 Ca 0.10 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 2atp s SER 50 Cb -0.04 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.54 2atp s SER 50 CO 0.02 -0.68 0.00 0.86 0.98 0.00 0.00 173.24 174.42 2atp s TRP 51 N -2.68 0.98 -0.10 5.02 -0.00 0.72 -0.89 118.94 121.99 2atp s TRP 51 Ca -0.04 -0.57 0.01 0.00 -0.00 0.00 0.00 56.10 55.49 2atp s TRP 51 Cb -0.00 -0.98 0.02 0.00 -0.00 0.00 0.00 33.47 32.51 2atp s TRP 51 CO -0.04 -0.48 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.79 2atp s SER 52 N 1.87 2.14 0.45 5.86 1.04 -1.01 -0.67 113.70 123.38 2atp s SER 52 Ca 0.02 -0.33 -0.25 0.00 0.48 0.00 0.00 55.95 55.86 2atp s SER 52 Cb -0.14 -0.90 -0.09 0.00 0.10 0.00 0.00 66.02 64.99 2atp s SER 52 CO -0.07 -0.05 1.44 -0.24 0.98 0.00 0.00 173.24 175.30 2atp n SER 53 N 4.51 3.36 -1.02 7.02 2.88 -1.26 -0.83 113.62 128.28 2atp n SER 53 Ca -0.17 1.13 -0.03 0.00 -1.33 0.00 0.00 58.87 58.47 2atp n SER 53 Cb 0.51 -1.61 0.01 0.00 -0.75 0.00 0.00 64.21 62.37 2atp n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2atp n SER 54 N -0.14 -2.41 0.00 -3.46 3.41 -1.26 -4.73 113.62 105.03 2atp n SER 54 Ca 0.05 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2atp n SER 54 Cb 0.41 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2atp n SER 54 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2atp n LYS 55 N -1.17 0.00 0.00 4.33 4.81 -1.08 -5.16 118.16 119.89 2atp n LYS 55 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2atp n LYS 55 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 2atp n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2atp n GLY 56 N 0.00 0.29 3.81 3.14 0.00 -0.01 -4.77 105.19 107.65 2atp n GLY 56 Ca 0.00 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 2atp n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2atp s VAL 57 N 0.00 4.63 -0.01 1.61 1.01 -1.26 -2.40 120.40 123.98 2atp s VAL 57 Ca 0.00 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.31 2atp s VAL 57 Cb 0.00 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2atp s VAL 57 CO 0.00 0.42 -0.13 -0.76 0.00 0.00 0.00 175.10 174.64 2atp s LEU 58 N -1.44 2.03 0.18 3.92 1.43 -0.06 -4.97 118.68 119.77 2atp s LEU 58 Ca 0.35 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2atp s LEU 58 Cb -0.19 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2atp s LEU 58 CO 0.21 0.15 0.01 -0.31 0.23 0.00 0.00 176.35 176.65 2atp s TYR 59 N -0.31 2.87 0.19 0.29 2.02 -1.26 -0.81 117.35 120.34 2atp s TYR 59 Ca 0.05 -0.13 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 2atp s TYR 59 Cb -0.05 -1.38 -0.08 0.00 -0.40 0.00 0.00 41.96 40.04 2atp s TYR 59 CO -0.00 0.52 1.22 0.20 -1.57 0.00 0.00 175.55 175.91 2atp s GLY 60 N -2.99 2.66 0.47 0.71 0.00 0.73 -4.90 107.32 104.00 2atp s GLY 60 Ca 0.28 0.98 0.15 0.00 0.00 0.00 0.00 44.72 46.13 2atp s GLY 60 CO 0.19 1.88 2.05 0.83 0.00 0.00 0.00 173.10 178.05 2atp h GLU 61 N 5.16 0.25 -1.39 2.90 4.39 -1.90 -1.32 114.58 122.67 2atp h GLU 61 Ca -0.45 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.00 2atp h GLU 61 Cb 1.21 -0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.70 2atp h GLU 61 CO 0.74 0.16 0.30 0.43 -1.16 0.00 0.00 179.01 179.49 2atp n SER 62 N -4.48 5.13 -3.94 1.42 7.64 -1.26 -4.71 113.62 113.43 2atp n SER 62 Ca 0.05 -2.81 -0.30 0.00 1.01 0.00 0.00 58.87 56.81 2atp n SER 62 Cb 0.26 -0.91 -0.16 0.00 -1.01 0.00 0.00 64.21 62.40 2atp n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2atp s VAL 63 N -1.61 1.54 -0.03 0.44 1.01 -0.50 -5.04 120.40 116.21 2atp s VAL 63 Ca 0.23 -1.27 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 2atp s VAL 63 Cb 0.19 -1.83 -0.12 0.00 0.00 0.00 0.00 36.38 34.62 2atp s VAL 63 CO 0.01 -0.14 0.80 -2.24 0.00 0.00 0.00 175.10 173.53 2atp h ASP 64 N 7.94 -0.42 -1.63 3.32 2.03 -1.86 -3.37 116.42 122.44 2atp h ASP 64 Ca -0.17 -0.09 -0.77 0.00 -0.73 0.00 0.00 57.03 55.27 2atp h ASP 64 Cb 1.07 0.11 -0.18 0.00 -0.83 0.00 0.00 39.33 39.50 2atp h ASP 64 CO 0.42 0.03 1.87 0.29 -1.03 0.00 0.00 179.24 180.82 2atp n LYS 65 N -5.11 4.40 0.24 4.15 5.02 -1.26 -4.78 118.16 120.81 2atp n LYS 65 Ca -0.08 -3.81 0.18 0.00 -2.02 0.00 0.00 58.31 52.58 2atp n LYS 65 Cb 0.25 -2.68 0.87 0.00 -0.02 0.00 0.00 35.03 33.44 2atp n LYS 65 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2atp h LYS 66 N 5.02 0.00 0.00 1.97 1.57 -1.97 0.12 116.57 123.28 2atp h LYS 66 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2atp h LYS 66 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2atp h LYS 66 CO 1.47 0.00 0.00 0.07 -0.57 0.00 0.00 179.45 180.42 2atp h ARG 67 N 0.00 0.00 -0.02 3.15 0.11 -1.96 -2.91 114.38 112.75 2atp h ARG 67 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2atp h ARG 67 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 2atp h ARG 67 CO -0.00 0.00 -0.13 0.09 0.10 0.00 0.00 179.97 180.03 2atp n ASN 68 N -2.56 1.69 -4.25 0.08 3.02 0.40 -4.69 115.26 108.95 2atp n ASN 68 Ca 0.03 -1.42 -0.43 0.00 -0.03 0.00 0.00 54.58 52.73 2atp n ASN 68 Cb 0.33 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 2atp n ASN 68 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2atp s ILE 69 N -2.19 4.76 -0.26 2.41 1.09 -1.10 -1.32 121.20 124.58 2atp s ILE 69 Ca 0.30 -1.99 -0.10 0.00 -1.10 0.00 0.00 60.65 57.76 2atp s ILE 69 Cb 0.20 -4.06 -0.05 0.00 -1.06 0.00 0.00 42.46 37.50 2atp s ILE 69 CO 0.41 -0.87 0.16 -0.63 -0.10 0.00 0.00 174.94 173.90 2atp s ILE 70 N 1.00 5.12 -0.21 2.92 -1.09 0.13 -4.96 121.20 124.11 2atp s ILE 70 Ca 0.09 0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.51 2atp s ILE 70 Cb -0.23 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 2atp s ILE 70 CO -0.02 0.29 0.16 -0.76 -1.23 0.00 0.00 174.94 173.38 2atp s LEU 71 N 1.55 4.17 0.08 2.97 1.02 -1.26 -0.43 118.68 126.78 2atp s LEU 71 Ca 0.07 0.20 0.06 0.00 0.02 0.00 0.00 54.13 54.49 2atp s LEU 71 Cb -0.15 -2.13 -0.03 0.00 0.02 0.00 0.00 46.19 43.90 2atp s LEU 71 CO 0.08 0.12 -0.17 -1.61 0.02 0.00 0.00 176.35 174.79 2atp s GLU 72 N 0.69 0.96 -1.52 1.70 2.02 -0.72 -4.81 118.70 117.02 2atp s GLU 72 Ca 0.09 -1.04 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 2atp s GLU 72 Cb -0.12 -1.08 0.08 0.00 0.10 0.00 0.00 34.13 33.11 2atp s GLU 72 CO 0.01 0.25 0.93 0.43 0.02 0.00 0.00 175.26 176.90 2atp n SER 73 N 1.23 -4.79 0.25 -0.19 7.64 -1.26 -0.28 113.62 116.23 2atp n SER 73 Ca -0.20 -0.73 0.09 0.00 1.01 0.00 0.00 58.87 59.04 2atp n SER 73 Cb 0.54 -3.83 0.65 0.00 -1.01 0.00 0.00 64.21 60.56 2atp n SER 73 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2atp h SER 74 N -1.95 0.00 -2.11 6.43 0.02 -1.90 -3.07 113.55 110.97 2atp h SER 74 Ca -0.57 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 59.63 2atp h SER 74 Cb 1.37 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.61 2atp h SER 74 CO 0.66 0.10 0.69 -0.90 -1.14 0.00 0.00 176.83 176.24 2atp n ASP 75 N -4.15 6.85 -3.36 3.07 5.68 -1.26 -4.75 116.55 118.63 2atp n ASP 75 Ca -0.03 -3.74 -0.12 0.00 -0.50 0.00 0.00 54.79 50.40 2atp n ASP 75 Cb 0.18 -1.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.13 2atp n ASP 75 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2atp s SER 76 N -1.71 0.47 0.10 -1.12 1.04 -1.16 -5.03 113.70 106.29 2atp s SER 76 Ca 0.45 -1.27 0.20 0.00 0.48 0.00 0.00 55.95 55.81 2atp s SER 76 Cb 0.30 0.69 0.81 0.00 0.10 0.00 0.00 66.02 67.92 2atp s SER 76 CO -0.23 -1.35 1.61 0.54 0.98 0.00 0.00 173.24 174.80 2atp n ARG 77 N -0.51 0.08 -3.29 4.02 1.74 -1.26 -4.11 116.66 113.33 2atp n ARG 77 Ca -0.02 0.28 -0.25 0.00 -0.77 0.00 0.00 57.85 57.09 2atp n ARG 77 Cb 0.61 -1.64 -0.08 0.00 -1.02 0.00 0.00 32.46 30.33 2atp n ARG 77 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2atp n ARG 78 N -1.79 0.58 -2.20 5.56 0.63 -1.26 0.62 116.66 118.80 2atp n ARG 78 Ca 0.04 -3.27 -0.41 0.00 -0.92 0.00 0.00 57.85 53.29 2atp n ARG 78 Cb 0.22 -1.44 -0.03 0.00 0.45 0.00 0.00 32.46 31.67 2atp n ARG 78 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2atp s PRO 79 N -0.75 4.42 0.11 -0.14 0.02 -1.21 -4.77 135.00 132.68 2atp s PRO 79 Ca 0.34 2.11 0.06 0.00 0.02 0.00 0.00 61.00 63.54 2atp s PRO 79 Cb 0.12 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.50 2atp s PRO 79 CO -0.14 -0.09 -0.05 -0.06 -0.33 0.00 0.00 177.00 176.32 2atp s PHE 80 N -1.15 2.84 -0.07 6.54 0.08 0.62 -2.54 117.98 124.30 2atp s PHE 80 Ca 0.48 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.44 2atp s PHE 80 Cb -0.38 -1.45 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2atp s PHE 80 CO 0.50 0.46 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.78 2atp s LEU 81 N -2.38 1.68 -0.11 -0.37 1.98 0.88 -1.76 118.68 118.60 2atp s LEU 81 Ca 0.24 -0.31 0.02 0.00 -2.89 0.00 0.00 54.13 51.19 2atp s LEU 81 Cb -0.11 -0.86 0.01 0.00 0.66 0.00 0.00 46.19 45.89 2atp s LEU 81 CO 0.16 0.05 -0.18 -0.44 -1.89 0.00 0.00 176.35 174.05 2atp s SER 82 N 0.61 2.63 -0.32 3.68 0.01 0.42 -0.96 113.70 119.77 2atp s SER 82 Ca -0.14 -0.48 -0.05 0.00 1.31 0.00 0.00 55.95 56.60 2atp s SER 82 Cb -0.16 -1.20 0.04 0.00 0.21 0.00 0.00 66.02 64.92 2atp s SER 82 CO 0.04 0.06 0.06 -0.63 0.41 0.00 0.00 173.24 173.17 2atp s ILE 83 N 0.81 3.46 0.40 1.44 1.01 -0.60 -0.69 121.20 127.02 2atp s ILE 83 Ca -0.10 -1.21 -0.02 0.00 0.00 0.00 0.00 60.65 59.32 2atp s ILE 83 Cb -0.16 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2atp s ILE 83 CO 0.01 -0.13 0.65 -0.04 0.00 0.00 0.00 174.94 175.42 2atp s MET 84 N 1.35 3.52 -1.53 2.79 -1.94 -0.43 -0.58 119.30 122.47 2atp s MET 84 Ca -0.03 -0.09 -0.12 0.00 -1.71 0.00 0.00 55.69 53.74 2atp s MET 84 Cb -0.19 -2.54 0.08 0.00 2.01 0.00 0.00 34.83 34.19 2atp s MET 84 CO 0.01 0.01 0.86 -1.71 -0.01 0.00 0.00 175.02 174.18 2atp n ASN 85 N -1.91 -3.64 -4.64 3.03 5.15 -0.94 -4.89 115.26 107.41 2atp n ASN 85 Ca -0.02 -0.85 -0.35 0.00 -0.60 0.00 0.00 54.58 52.75 2atp n ASN 85 Cb 0.56 -3.59 0.09 0.00 -0.53 0.00 0.00 39.78 36.31 2atp n ASN 85 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2atp n VAL 86 N -4.55 2.93 -4.33 3.44 0.24 -0.80 -4.53 118.33 110.74 2atp n VAL 86 Ca -0.02 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.34 61.74 2atp n VAL 86 Cb 0.55 -1.16 -0.10 0.00 -1.47 0.00 0.00 33.84 31.66 2atp n VAL 86 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2atp s LYS 87 N -3.46 1.31 0.62 7.34 -0.14 -1.26 -0.52 119.74 123.63 2atp s LYS 87 Ca 0.74 -1.64 0.34 0.00 -1.36 0.00 0.00 55.97 54.05 2atp s LYS 87 Cb -0.34 -0.74 2.00 0.00 -1.68 0.00 0.00 37.83 37.07 2atp s LYS 87 CO 0.49 -0.02 2.27 -1.35 -0.76 0.00 0.00 175.35 175.98 2atp h PRO 88 N 2.51 0.00 0.00 -1.68 0.11 -1.94 0.59 132.00 131.60 2atp h PRO 88 Ca -0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 2atp h PRO 88 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2atp h PRO 88 CO 0.65 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.21 2atp h GLU 89 N 0.00 0.00 0.00 1.05 3.07 -1.95 -2.20 114.58 114.55 2atp h GLU 89 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2atp h GLU 89 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2atp h GLU 89 CO -0.00 0.16 0.00 -0.25 -1.40 0.00 0.00 179.01 177.52 2atp n ASP 90 N -3.76 0.00 -4.70 1.42 9.92 0.20 -4.84 116.55 114.79 2atp n ASP 90 Ca -0.02 0.36 -0.42 0.00 -0.53 0.00 0.00 54.79 54.18 2atp n ASP 90 Cb 0.26 -0.44 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 2atp n ASP 90 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2atp s SER 91 N -2.88 6.50 0.00 -2.24 0.01 -0.83 -4.92 113.70 109.35 2atp s SER 91 Ca 0.12 2.67 0.00 0.00 1.31 0.00 0.00 55.95 60.05 2atp s SER 91 Cb 0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2atp s SER 91 CO 0.34 -0.93 0.00 0.47 0.41 0.00 0.00 173.24 173.54 2atp n ASP 92 N 4.99 0.00 -4.79 2.44 8.00 -0.44 -4.92 116.55 121.83 2atp n ASP 92 Ca 0.16 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.29 2atp n ASP 92 Cb 0.38 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 2atp n ASP 92 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2atp s PHE 93 N -2.41 3.58 -0.02 1.24 0.40 -1.25 -0.74 117.98 118.77 2atp s PHE 93 Ca 0.00 0.71 0.08 0.00 -0.60 0.00 0.00 56.93 57.12 2atp s PHE 93 Cb 0.00 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 2atp s PHE 93 CO 0.00 0.47 -0.26 0.71 0.70 0.00 0.00 175.22 176.84 2atp s TYR 94 N -0.33 2.35 0.04 0.36 2.02 -0.53 -1.38 117.35 119.87 2atp s TYR 94 Ca 0.19 -0.46 0.05 0.00 -0.37 0.00 0.00 57.07 56.47 2atp s TYR 94 Cb -0.14 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.89 2atp s TYR 94 CO 0.07 -0.05 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.80 2atp s PHE 95 N -0.57 1.19 0.58 2.71 0.40 -0.43 -2.28 117.98 119.58 2atp s PHE 95 Ca 0.09 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 2atp s PHE 95 Cb -0.10 -0.71 0.05 0.00 0.51 0.00 0.00 43.02 42.77 2atp s PHE 95 CO -0.01 0.03 0.81 0.00 0.70 0.00 0.00 175.22 176.75 2atp s ALA 97 N -2.82 -1.89 0.24 0.00 0.00 0.39 -2.60 121.76 115.08 2atp s ALA 97 Ca 0.59 1.83 0.11 0.00 0.00 0.00 0.00 51.96 54.49 2atp s ALA 97 Cb -0.10 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 2atp s ALA 97 CO 0.39 -0.29 -0.18 0.95 0.00 0.00 0.00 175.76 176.63 2atp s THR 98 N -0.03 2.62 -0.04 0.00 -4.23 -0.70 -0.66 115.64 112.60 2atp s THR 98 Ca 0.00 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.39 2atp s THR 98 Cb -0.04 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.49 2atp s THR 98 CO -0.02 -0.26 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.07 2atp s VAL 99 N -2.09 0.47 0.00 2.29 1.01 -1.26 -2.09 120.40 118.73 2atp s VAL 99 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2atp s VAL 99 Cb -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2atp s VAL 99 CO 0.14 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2atp n GLY 100 N 3.88 1.64 2.63 4.51 0.00 0.45 -4.86 105.19 113.43 2atp n GLY 100 Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 2atp n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2atp s SER 101 N 0.76 1.06 0.00 1.61 1.04 -1.26 -4.60 113.70 112.31 2atp s SER 101 Ca 0.00 -2.07 0.16 0.00 0.48 0.00 0.00 55.95 54.51 2atp s SER 101 Cb 0.00 0.38 0.37 0.00 0.10 0.00 0.00 66.02 66.86 2atp s SER 101 CO 0.00 -0.21 1.28 -0.81 0.98 0.00 0.00 173.24 174.48 2atp n PRO 102 N 3.66 2.43 -1.66 4.02 -0.04 -1.26 -5.10 135.00 137.06 2atp n PRO 102 Ca 0.17 -2.10 -0.53 0.00 -0.04 0.00 0.00 63.50 61.01 2atp n PRO 102 Cb 0.46 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2atp n PRO 102 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2atp n LYS 103 N 0.96 1.41 -4.94 0.54 0.00 -1.26 -4.99 118.16 109.88 2atp n LYS 103 Ca 0.15 0.51 -0.33 0.00 0.00 0.00 0.00 58.31 58.65 2atp n LYS 103 Cb 0.48 -2.21 -0.15 0.00 0.00 0.00 0.00 35.03 33.15 2atp n LYS 103 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2atp s MET 104 N 2.13 3.21 -0.03 1.64 -2.45 -1.26 -0.41 119.30 122.12 2atp s MET 104 Ca 0.90 -0.75 0.04 0.00 -1.25 0.00 0.00 55.69 54.62 2atp s MET 104 Cb -0.93 -2.50 -0.00 0.00 1.25 0.00 0.00 34.83 32.65 2atp s MET 104 CO 0.53 0.23 -0.14 0.54 1.05 0.00 0.00 175.02 177.24 2atp s VAL 105 N 0.27 1.15 0.05 10.11 0.11 -0.89 -5.01 120.40 126.19 2atp s VAL 105 Ca -0.12 -0.57 0.03 0.00 -2.93 0.00 0.00 61.98 58.39 2atp s VAL 105 Cb -0.16 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 2atp s VAL 105 CO 0.06 0.34 0.02 -0.36 -3.33 0.00 0.00 175.10 171.83 2atp s PHE 106 N 0.02 3.07 0.69 1.54 0.08 -1.26 -1.73 117.98 120.39 2atp s PHE 106 Ca -0.02 0.05 -0.09 0.00 0.12 0.00 0.00 56.93 56.99 2atp s PHE 106 Cb -0.09 -1.62 0.03 0.00 -0.57 0.00 0.00 43.02 40.77 2atp s PHE 106 CO 0.01 0.48 1.05 0.20 -0.10 0.00 0.00 175.22 176.86 2atp s GLY 107 N -1.98 1.62 1.00 4.36 0.00 -1.07 -3.35 107.32 107.90 2atp s GLY 107 Ca 0.24 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 2atp s GLY 107 CO 0.15 -0.21 1.09 -0.51 0.00 0.00 0.00 173.10 173.62 2atp s THR 108 N -3.28 2.21 0.64 0.90 -4.23 -0.79 -4.71 115.64 106.38 2atp s THR 108 Ca 0.58 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 61.10 2atp s THR 108 Cb -0.11 -2.20 0.14 0.00 1.34 0.00 0.00 72.50 71.67 2atp s THR 108 CO 0.48 -0.09 0.87 0.61 -0.54 0.00 0.00 174.62 175.96 2atp n GLY 109 N 0.14 -0.25 2.62 3.99 0.00 -1.26 -4.36 105.19 106.06 2atp n GLY 109 Ca 0.08 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2atp n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2atp s THR 110 N -2.70 0.32 -0.54 2.61 2.01 -0.97 -4.22 115.64 112.16 2atp s THR 110 Ca 0.53 -1.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 2atp s THR 110 Cb -0.02 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.25 2atp s THR 110 CO 0.36 -0.71 1.15 -0.75 -0.69 0.00 0.00 174.62 173.98 2atp s LYS 111 N 1.88 3.58 -0.23 4.92 2.20 0.05 -1.46 119.74 130.68 2atp s LYS 111 Ca 0.10 0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.95 2atp s LYS 111 Cb -0.17 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 2atp s LYS 111 CO -0.31 -1.55 0.12 -1.17 -0.36 0.00 0.00 175.35 172.08 2atp s LEU 112 N 4.69 3.91 -0.08 5.43 2.96 0.08 -0.15 118.68 135.52 2atp s LEU 112 Ca 0.44 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 2atp s LEU 112 Cb -0.08 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.59 2atp s LEU 112 CO 0.28 0.06 -0.15 0.42 -1.32 0.00 0.00 176.35 175.64 2atp s THR 113 N 1.07 1.35 -0.26 3.68 -4.23 -0.30 -1.32 115.64 115.63 2atp s THR 113 Ca 0.06 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.95 2atp s THR 113 Cb -0.14 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.50 2atp s THR 113 CO 0.04 0.41 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.80 2atp s VAL 114 N 0.68 3.10 -2.86 2.29 1.01 -1.26 -2.47 120.40 120.88 2atp s VAL 114 Ca -0.14 -0.95 0.23 0.00 0.00 0.00 0.00 61.98 61.12 2atp s VAL 114 Cb -0.16 -2.58 0.18 0.00 0.00 0.00 0.00 36.38 33.82 2atp s VAL 114 CO 0.04 0.17 1.22 1.33 0.00 0.00 0.00 175.10 177.87