#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5x s LYS 2 N 0.00 1.54 0.83 3.17 1.02 -1.26 -5.13 119.74 119.92 2b5x s LYS 2 Ca 0.00 -1.84 -0.11 0.00 0.02 0.00 0.00 55.97 54.04 2b5x s LYS 2 Cb 0.00 -0.73 0.09 0.00 -0.52 0.00 0.00 37.83 36.67 2b5x s LYS 2 CO 0.00 -0.18 1.10 -0.51 -0.92 0.00 0.00 175.35 174.84 2b5x s LEU 3 N -3.42 2.48 -1.07 3.17 1.43 -1.26 -3.73 118.68 116.28 2b5x s LEU 3 Ca 0.35 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 2b5x s LEU 3 Cb 0.08 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2b5x s LEU 3 CO 0.14 -2.22 0.00 0.54 0.23 0.00 0.00 176.35 175.04 2b5x n ARG 4 N -3.60 -1.66 -2.66 1.70 1.74 0.89 -4.94 116.66 108.12 2b5x n ARG 4 Ca 0.07 0.78 -0.35 0.00 -0.77 0.00 0.00 57.85 57.59 2b5x n ARG 4 Cb 0.56 -5.07 -0.05 0.00 -1.02 0.00 0.00 32.46 26.88 2b5x n ARG 4 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2b5x s GLN 5 N -2.73 4.13 0.40 5.56 -0.21 -1.24 -4.66 119.66 120.91 2b5x s GLN 5 Ca 0.00 1.32 -0.25 0.00 0.02 0.00 0.00 55.36 56.45 2b5x s GLN 5 Cb 0.00 -2.32 -0.08 0.00 1.00 0.00 0.00 33.01 31.60 2b5x s GLN 5 CO 0.00 -0.14 1.12 -1.25 -2.12 0.00 0.00 175.29 172.89 2b5x s PRO 6 N -2.88 4.08 -0.15 2.91 0.04 -1.26 -0.24 135.00 137.50 2b5x s PRO 6 Ca 0.61 1.69 -0.39 0.00 0.04 0.00 0.00 61.00 62.96 2b5x s PRO 6 Cb -0.16 -2.60 -0.16 0.00 0.04 0.00 0.00 34.50 31.62 2b5x s PRO 6 CO 0.20 -0.26 1.60 -0.12 0.04 0.00 0.00 177.00 178.46 2b5x n MET 7 N -0.02 1.15 0.00 4.56 1.56 0.21 -4.87 117.12 119.71 2b5x n MET 7 Ca 0.05 0.42 0.00 0.00 -0.27 0.00 0.00 57.70 57.90 2b5x n MET 7 Cb 0.48 -2.09 0.00 0.00 2.15 0.00 0.00 33.22 33.76 2b5x n MET 7 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2b5x n PRO 8 N 4.33 0.00 -3.69 2.12 -0.04 -1.26 -5.03 135.00 131.44 2b5x n PRO 8 Ca 0.24 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2b5x n PRO 8 Cb 0.15 -0.16 -0.09 0.00 -0.04 0.00 0.00 33.50 33.36 2b5x n PRO 8 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2b5x s GLU 9 N 0.00 0.60 -0.41 0.54 -1.05 -1.26 -4.98 118.70 112.14 2b5x s GLU 9 Ca 0.00 0.80 0.04 0.00 -0.15 0.00 0.00 54.97 55.66 2b5x s GLU 9 Cb 0.00 0.24 0.17 0.00 -0.44 0.00 0.00 34.13 34.10 2b5x s GLU 9 CO 0.00 -0.09 0.36 -0.51 0.95 0.00 0.00 175.26 175.96 2b5x s LEU 10 N 0.58 1.05 0.16 1.83 1.43 -1.26 -4.32 118.68 118.15 2b5x s LEU 10 Ca -0.02 -2.80 -0.22 0.00 -1.03 0.00 0.00 54.13 50.05 2b5x s LEU 10 Cb -0.05 -0.20 0.06 0.00 0.03 0.00 0.00 46.19 46.04 2b5x s LEU 10 CO -0.03 -0.18 0.57 0.28 0.23 0.00 0.00 176.35 177.22 2b5x s THR 11 N 0.29 0.01 -3.74 5.49 -1.32 -1.26 -4.93 115.64 110.19 2b5x s THR 11 Ca 0.30 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 2b5x s THR 11 Cb -0.00 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2b5x s THR 11 CO -0.16 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 2b5x n GLY 12 N -0.36 -0.87 0.00 6.08 0.00 -1.26 -3.26 105.19 105.53 2b5x n GLY 12 Ca -0.17 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2b5x n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2b5x n GLU 13 N 0.00 5.32 0.11 1.61 0.28 -1.26 -4.97 120.64 121.73 2b5x n GLU 13 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 2b5x n GLU 13 Cb 0.00 -0.44 -0.06 0.00 1.43 0.00 0.00 31.44 32.37 2b5x n GLU 13 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2b5x h LYS 14 N 0.00 -0.37 -2.55 3.44 3.64 -1.88 -3.45 116.57 115.40 2b5x h LYS 14 Ca 0.00 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2b5x h LYS 14 Cb 0.00 0.08 -0.18 0.00 -0.41 0.00 0.00 32.23 31.73 2b5x h LYS 14 CO 0.00 -0.25 0.04 0.00 -2.27 0.00 0.00 179.45 176.98 2b5x s ALA 15 N -6.10 -1.40 -0.03 5.00 0.00 -0.68 -4.99 121.76 113.57 2b5x s ALA 15 Ca -0.15 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2b5x s ALA 15 Cb 0.08 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2b5x s ALA 15 CO 0.65 -0.42 -0.00 1.67 0.00 0.00 0.00 175.76 177.66 2b5x s TRP 16 N -1.86 0.31 0.00 0.00 1.48 -1.26 -0.85 118.94 116.76 2b5x s TRP 16 Ca -0.08 -0.01 0.05 0.00 -1.06 0.00 0.00 56.10 54.99 2b5x s TRP 16 Cb -0.01 -0.38 -0.01 0.00 -1.16 0.00 0.00 33.47 31.90 2b5x s TRP 16 CO 0.03 -0.11 -0.14 -0.51 -4.06 0.00 0.00 176.95 172.15 2b5x s LEU 17 N 0.89 2.06 0.00 -4.66 1.43 -0.02 -4.73 118.68 113.65 2b5x s LEU 17 Ca -0.09 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2b5x s LEU 17 Cb -0.12 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.38 2b5x s LEU 17 CO -0.01 0.15 0.00 0.59 0.23 0.00 0.00 176.35 177.30 2b5x n ASN 18 N 2.55 0.00 0.00 2.29 3.02 -1.26 -0.80 115.26 121.06 2b5x n ASN 18 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2b5x n ASN 18 Cb 0.55 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 2b5x n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b5x n GLY 19 N -0.02 -1.39 3.06 7.41 0.00 -1.26 -4.84 105.19 108.16 2b5x n GLY 19 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2b5x n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b5x s GLU 20 N -1.61 0.54 0.25 1.61 2.02 -1.26 -4.08 118.70 116.17 2b5x s GLU 20 Ca 0.00 -0.94 -0.22 0.00 0.02 0.00 0.00 54.97 53.83 2b5x s GLU 20 Cb 0.00 -0.02 0.03 0.00 0.10 0.00 0.00 34.13 34.24 2b5x s GLU 20 CO 0.00 -0.04 0.72 0.54 0.02 0.00 0.00 175.26 176.50 2b5x s VAL 21 N -2.50 0.00 0.10 2.63 0.11 -1.26 -5.04 120.40 114.44 2b5x s VAL 21 Ca -0.03 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 2b5x s VAL 21 Cb -0.02 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 2b5x s VAL 21 CO -0.04 0.00 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.77 2b5x s THR 22 N -3.84 0.72 0.32 5.04 2.01 -1.26 -4.99 115.64 113.63 2b5x s THR 22 Ca 0.10 -1.93 0.02 0.00 0.31 0.00 0.00 61.69 60.19 2b5x s THR 22 Cb -0.05 -1.68 0.29 0.00 0.01 0.00 0.00 72.50 71.07 2b5x s THR 22 CO 0.04 -0.86 1.92 0.08 -0.69 0.00 0.00 174.62 175.10 2b5x h ARG 23 N 2.97 0.92 0.00 4.92 -0.00 -1.94 -0.55 114.38 120.69 2b5x h ARG 23 Ca -0.35 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 59.57 2b5x h ARG 23 Cb 1.17 -0.21 0.00 0.00 -0.00 0.00 0.00 29.97 30.93 2b5x h ARG 23 CO 0.64 0.61 0.00 -0.85 -0.00 0.00 0.00 179.97 180.37 2b5x n GLU 24 N -4.49 0.09 -0.00 0.08 0.00 -1.26 -0.80 120.64 114.25 2b5x n GLU 24 Ca 0.13 0.22 0.07 0.00 0.00 0.00 0.00 57.16 57.58 2b5x n GLU 24 Cb 0.23 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.07 2b5x n GLU 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2b5x n GLN 25 N -1.41 0.95 -0.07 3.44 6.02 -0.27 -4.66 117.38 121.39 2b5x n GLN 25 Ca 0.05 -0.09 -0.06 0.00 -0.01 0.00 0.00 57.00 56.88 2b5x n GLN 25 Cb 0.14 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 2b5x n GLN 25 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2b5x h LEU 26 N 0.00 0.00-10.62 1.08 3.38 -0.45 -3.48 115.31 105.21 2b5x h LEU 26 Ca 0.00 -0.16 -0.45 0.00 0.09 0.00 0.00 57.88 57.35 2b5x h LEU 26 Cb 0.53 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.37 2b5x h LEU 26 CO 0.00 0.79 0.18 0.27 0.09 0.00 0.00 178.44 179.77 2b5x s ILE 27 N -2.02 2.27 0.00 1.22 -4.36 0.02 -4.49 121.20 113.84 2b5x s ILE 27 Ca -0.12 -0.39 0.00 0.00 -0.26 0.00 0.00 60.65 59.88 2b5x s ILE 27 Cb 0.01 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 40.84 2b5x s ILE 27 CO 0.24 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.03 2b5x n GLY 28 N -2.90 1.44 1.07 6.27 0.00 -0.20 -4.80 105.19 106.07 2b5x n GLY 28 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2b5x n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b5x n GLU 29 N -0.82 0.00 -4.11 1.61 4.07 -1.26 -5.00 120.64 115.14 2b5x n GLU 29 Ca 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.96 2b5x n GLU 29 Cb 0.00 -0.15 -0.11 0.00 -0.06 0.00 0.00 31.44 31.12 2b5x n GLU 29 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2b5x s LYS 30 N -1.54 0.65 1.15 5.31 1.02 -1.26 -4.94 119.74 120.14 2b5x s LYS 30 Ca 0.00 -0.88 -0.14 0.00 0.02 0.00 0.00 55.97 54.97 2b5x s LYS 30 Cb 0.00 -0.45 0.27 0.00 -0.52 0.00 0.00 37.83 37.13 2b5x s LYS 30 CO 0.00 0.08 1.04 -1.25 -0.92 0.00 0.00 175.35 174.30 2b5x s PRO 31 N -1.87 -0.81 0.05 -1.68 0.04 -1.26 -4.21 135.00 125.26 2b5x s PRO 31 Ca -0.05 0.62 0.02 0.00 0.04 0.00 0.00 61.00 61.64 2b5x s PRO 31 Cb -0.08 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 2b5x s PRO 31 CO 0.01 -3.59 -0.08 0.99 0.04 0.00 0.00 177.00 174.36 2b5x s THR 32 N -2.61 0.59 -0.15 1.26 2.01 -0.27 -0.95 115.64 115.52 2b5x s THR 32 Ca 0.68 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2b5x s THR 32 Cb -0.22 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.64 2b5x s THR 32 CO 0.62 -0.38 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.79 2b5x s LEU 33 N -1.63 1.78 -0.11 4.42 2.96 0.41 -0.66 118.68 125.84 2b5x s LEU 33 Ca -0.09 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.29 2b5x s LEU 33 Cb -0.10 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 2b5x s LEU 33 CO 0.00 -0.03 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.37 2b5x s ILE 34 N 1.34 4.20 0.10 6.68 1.01 -0.49 -1.64 121.20 132.41 2b5x s ILE 34 Ca 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.45 2b5x s ILE 34 Cb -0.13 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2b5x s ILE 34 CO -0.09 0.57 -0.13 -1.38 0.00 0.00 0.00 174.94 173.90 2b5x s HIS 35 N -0.47 1.27 -0.08 3.97 -3.43 -0.96 -0.91 115.29 114.68 2b5x s HIS 35 Ca 0.08 -0.54 0.04 0.00 -0.80 0.00 0.00 55.06 53.84 2b5x s HIS 35 Cb -0.12 -0.68 -0.00 0.00 -1.43 0.00 0.00 32.58 30.34 2b5x s HIS 35 CO 0.02 0.08 -0.22 -0.06 -2.00 0.00 0.00 174.74 172.57 2b5x s PHE 36 N -1.89 2.27 0.22 0.38 0.40 0.36 -0.81 117.98 118.91 2b5x s PHE 36 Ca 0.04 -0.82 -0.21 0.00 -0.60 0.00 0.00 56.93 55.34 2b5x s PHE 36 Cb -0.06 -1.52 0.04 0.00 0.51 0.00 0.00 43.02 41.98 2b5x s PHE 36 CO 0.02 -0.31 0.65 1.67 0.70 0.00 0.00 175.22 177.95 2b5x s TRP 37 N 0.21 -0.30 -0.06 0.36 1.48 -0.97 -0.51 118.94 119.15 2b5x s TRP 37 Ca -0.12 -0.05 -0.04 0.00 -1.06 0.00 0.00 56.10 54.83 2b5x s TRP 37 Cb -0.16 0.61 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 2b5x s TRP 37 CO 0.06 -1.05 0.15 -1.12 -4.06 0.00 0.00 176.95 170.93 2b5x s SER 38 N -2.85 -0.15 0.00 -2.66 0.01 -1.26 -0.46 113.70 106.33 2b5x s SER 38 Ca 0.07 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2b5x s SER 38 Cb -0.03 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2b5x s SER 38 CO -0.02 -0.08 0.33 2.30 0.41 0.00 0.00 173.24 176.18 2b5x n ILE 39 N 3.39 0.04 -0.42 1.44 -5.35 -1.26 -3.33 119.36 113.86 2b5x n ILE 39 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2b5x n ILE 39 Cb 0.57 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 2b5x n ILE 39 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2b5x n SER 40 N 0.23 1.09 -4.09 7.28 3.41 -1.26 -4.87 113.62 115.40 2b5x n SER 40 Ca 0.00 -1.51 -0.24 0.00 -0.26 0.00 0.00 58.87 56.86 2b5x n SER 40 Cb 0.16 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.96 2b5x n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b5x h HIS 42 N 6.23 1.13 -0.42 0.00 2.76 -1.96 -1.34 115.15 121.55 2b5x h HIS 42 Ca -0.33 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 57.77 2b5x h HIS 42 Cb 1.17 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 2b5x h HIS 42 CO 0.43 0.78 0.06 -0.07 -1.30 0.00 0.00 177.93 177.83 2b5x h LEU 43 N 1.16 0.60 -0.67 0.26 -0.00 -1.96 -0.61 115.31 114.10 2b5x h LEU 43 Ca 0.30 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 58.05 2b5x h LEU 43 Cb 0.01 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.48 2b5x h LEU 43 CO -0.05 0.63 0.36 0.00 -0.00 0.00 0.00 178.44 179.38 2b5x h LYS 45 N 0.91 0.00 0.10 0.00 1.79 -0.07 0.25 116.57 119.55 2b5x h LYS 45 Ca 0.23 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.37 2b5x h LYS 45 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2b5x h LYS 45 CO -0.04 0.02 -1.83 0.39 -1.08 0.00 0.00 179.45 176.91 2b5x n GLU 46 N -3.30 0.72 0.08 3.15 -0.58 -0.89 -3.99 120.64 115.83 2b5x n GLU 46 Ca -0.02 0.33 0.03 0.00 -0.42 0.00 0.00 57.16 57.08 2b5x n GLU 46 Cb 0.14 -1.72 0.42 0.00 -0.57 0.00 0.00 31.44 29.72 2b5x n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2b5x h ALA 47 N -0.06 1.62 0.28 0.62 0.00 -0.74 -2.97 119.26 118.01 2b5x h ALA 47 Ca -0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2b5x h ALA 47 Cb 1.87 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 2b5x h ALA 47 CO 0.02 0.29 -0.46 0.52 0.00 0.00 0.00 179.25 179.62 2b5x h MET 48 N 0.34 -0.77 -0.55 0.00 2.86 -0.65 0.40 114.93 116.55 2b5x h MET 48 Ca 0.08 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2b5x h MET 48 Cb 0.18 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2b5x h MET 48 CO 0.00 -0.51 0.25 -1.00 1.06 0.00 0.00 176.91 176.71 2b5x h PRO 49 N -0.80 0.78 -0.27 -0.22 0.13 -1.73 -2.66 132.00 127.23 2b5x h PRO 49 Ca -0.02 -0.10 -0.12 0.00 -0.87 0.00 0.00 66.00 64.89 2b5x h PRO 49 Cb 0.76 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2b5x h PRO 49 CO -0.17 0.62 -0.34 0.37 -0.23 0.00 0.00 178.00 178.24 2b5x h GLN 50 N 0.78 0.58 -1.00 0.86 -0.00 -1.13 -1.86 115.11 113.34 2b5x h GLN 50 Ca 0.19 -0.27 0.11 0.00 -0.00 0.00 0.00 58.65 58.69 2b5x h GLN 50 Cb 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 27.48 27.49 2b5x h GLN 50 CO -0.02 0.84 0.63 0.28 0.00 0.00 0.00 178.83 180.56 2b5x h VAL 51 N 0.49 0.93 -0.07 2.39 2.07 0.01 0.30 116.25 122.37 2b5x h VAL 51 Ca 0.05 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2b5x h VAL 51 Cb 0.83 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2b5x h VAL 51 CO 0.07 0.18 -0.04 -1.13 0.02 0.00 0.00 177.57 176.68 2b5x h ASN 52 N 1.01 -0.12 0.91 0.57 -1.24 -1.01 0.09 115.58 115.79 2b5x h ASN 52 Ca 0.49 0.03 -0.15 0.00 0.71 0.00 0.00 56.30 57.38 2b5x h ASN 52 Cb 0.45 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 2b5x h ASN 52 CO -0.26 -0.05 -0.69 1.05 -1.29 0.00 0.00 177.43 176.19 2b5x h GLU 53 N -0.03 0.00 -0.33 6.67 4.11 -1.05 -2.68 114.58 121.27 2b5x h GLU 53 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.42 2b5x h GLU 53 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2b5x h GLU 53 CO -0.10 0.69 0.01 0.35 0.07 0.00 0.00 179.01 180.04 2b5x h PHE 54 N 0.00 0.63 -0.09 2.06 3.04 -0.18 0.13 116.94 122.53 2b5x h PHE 54 Ca -0.01 -0.10 0.04 0.00 3.98 0.00 0.00 57.97 61.87 2b5x h PHE 54 Cb 1.33 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.64 2b5x h PHE 54 CO 0.00 0.68 -0.15 -0.09 -2.02 0.00 0.00 178.31 176.74 2b5x h ARG 55 N 0.39 -0.19 -0.43 1.11 2.43 -0.98 -2.55 114.38 114.17 2b5x h ARG 55 Ca 0.10 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 2b5x h ARG 55 Cb 0.43 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2b5x h ARG 55 CO 0.01 -0.13 -0.21 0.22 -1.51 0.00 0.00 179.97 178.36 2b5x h ASP 56 N -0.20 0.92 -0.14 -3.80 3.58 -1.05 0.11 116.42 115.84 2b5x h ASP 56 Ca 0.08 -0.40 -0.03 0.00 0.42 0.00 0.00 57.03 57.10 2b5x h ASP 56 Cb 0.31 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2b5x h ASP 56 CO -0.21 1.12 0.03 0.11 -2.88 0.00 0.00 179.24 177.41 2b5x h LYS 57 N 0.72 0.33 0.00 0.28 1.57 -0.67 -3.31 116.57 115.49 2b5x h LYS 57 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2b5x h LYS 57 Cb 0.78 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2b5x h LYS 57 CO 0.06 0.33 0.00 0.66 -0.57 0.00 0.00 179.45 179.94 2b5x n TYR 58 N -4.38 0.00 0.23 -1.35 4.01 -0.97 -4.79 117.16 109.92 2b5x n TYR 58 Ca 0.00 -0.04 0.18 0.00 -0.16 0.00 0.00 57.90 57.88 2b5x n TYR 58 Cb 0.17 -0.00 0.83 0.00 -0.31 0.00 0.00 39.34 40.03 2b5x n TYR 58 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 2b5x h GLN 59 N 0.00 0.00 -0.00 -0.72 -0.00 -0.87 0.99 115.11 114.51 2b5x h GLN 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2b5x h GLN 59 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.69 2b5x h GLN 59 CO 0.00 0.00 -0.11 -3.47 -0.00 0.00 0.00 178.83 175.25 2b5x n ASP 60 N -3.35 0.40 0.00 0.06 2.03 -1.26 -4.27 116.55 110.16 2b5x n ASP 60 Ca 0.02 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.85 2b5x n ASP 60 Cb 0.42 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2b5x n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5x n GLN 61 N -1.03 2.89 -3.74 -0.67 6.02 0.06 -5.09 117.38 115.82 2b5x n GLN 61 Ca 0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.01 2b5x n GLN 61 Cb 0.28 -0.24 -0.12 0.00 1.02 0.00 0.00 30.24 31.17 2b5x n GLN 61 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2b5x s LEU 62 N 0.00 0.50 0.26 1.08 2.96 0.12 -4.17 118.68 119.44 2b5x s LEU 62 Ca 0.00 0.56 -0.23 0.00 -0.22 0.00 0.00 54.13 54.24 2b5x s LEU 62 Cb 0.00 0.84 -0.09 0.00 0.50 0.00 0.00 46.19 47.44 2b5x s LEU 62 CO 0.00 -0.15 0.84 0.20 -1.32 0.00 0.00 176.35 175.92 2b5x s ASN 63 N 1.00 7.24 -0.03 3.68 0.01 -0.13 -4.08 114.94 122.64 2b5x s ASN 63 Ca -0.07 1.65 0.05 0.00 -0.71 0.00 0.00 52.86 53.78 2b5x s ASN 63 Cb -0.08 -2.51 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 2b5x s ASN 63 CO -0.07 0.01 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.66 2b5x s VAL 64 N -1.52 1.41 0.13 1.60 1.01 -1.26 -0.45 120.40 121.31 2b5x s VAL 64 Ca 0.46 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2b5x s VAL 64 Cb -0.18 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2b5x s VAL 64 CO 0.23 0.40 0.22 0.68 0.00 0.00 0.00 175.10 176.63 2b5x s VAL 65 N -0.19 0.11 0.06 2.92 -7.23 -0.65 -4.26 120.40 111.16 2b5x s VAL 65 Ca 0.02 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2b5x s VAL 65 Cb -0.09 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2b5x s VAL 65 CO 0.01 -0.48 -0.04 0.00 -0.31 0.00 0.00 175.10 174.28 2b5x s ALA 66 N -3.93 0.58 -0.23 1.32 0.00 -0.33 -2.27 121.76 116.90 2b5x s ALA 66 Ca 0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 2b5x s ALA 66 Cb 0.04 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.44 2b5x s ALA 66 CO -0.05 -0.27 0.07 0.08 0.00 0.00 0.00 175.76 175.59 2b5x s VAL 67 N -3.25 0.38 -0.10 0.00 1.01 0.01 -1.53 120.40 116.92 2b5x s VAL 67 Ca 0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2b5x s VAL 67 Cb 0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2b5x s VAL 67 CO -0.06 -0.40 1.32 -2.28 0.00 0.00 0.00 175.10 173.67 2b5x s HIS 68 N 1.90 2.83 -0.44 5.22 2.46 -0.35 -2.28 115.29 124.64 2b5x s HIS 68 Ca 0.03 0.93 -0.24 0.00 0.47 0.00 0.00 55.06 56.25 2b5x s HIS 68 Cb -0.17 -3.56 0.02 0.00 -0.13 0.00 0.00 32.58 28.75 2b5x s HIS 68 CO -0.17 -1.98 0.84 1.41 -2.47 0.00 0.00 174.74 172.37 2b5x s MET 69 N 3.04 3.51 0.14 2.88 1.75 0.39 -4.65 119.30 126.37 2b5x s MET 69 Ca 0.59 0.07 -0.31 0.00 -1.25 0.00 0.00 55.69 54.79 2b5x s MET 69 Cb -0.25 -3.91 -0.10 0.00 2.84 0.00 0.00 34.83 33.41 2b5x s MET 69 CO 0.20 -1.12 1.62 -1.25 -0.65 0.00 0.00 175.02 173.82 2b5x s PRO 70 N 3.44 4.20 0.00 4.11 0.04 -1.26 -4.51 135.00 141.02 2b5x s PRO 70 Ca 0.33 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2b5x s PRO 70 Cb -0.11 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2b5x s PRO 70 CO 0.23 -0.66 0.00 -2.13 0.04 0.00 0.00 177.00 174.48 2b5x n ARG 71 N 4.47 0.14 -3.91 4.56 0.63 -1.26 -5.07 116.66 116.22 2b5x n ARG 71 Ca 0.15 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.99 2b5x n ARG 71 Cb 0.39 -0.53 -0.07 0.00 0.45 0.00 0.00 32.46 32.69 2b5x n ARG 71 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2b5x s SER 72 N -2.10 0.13 0.55 6.15 0.01 -1.26 -5.05 113.70 112.14 2b5x s SER 72 Ca 0.00 -0.76 0.24 0.00 1.31 0.00 0.00 55.95 56.74 2b5x s SER 72 Cb 0.00 0.35 1.55 0.00 0.21 0.00 0.00 66.02 68.14 2b5x s SER 72 CO 0.00 -0.76 2.19 -0.33 0.41 0.00 0.00 173.24 174.75 2b5x h GLU 73 N 2.73 0.00 0.00 12.44 5.08 -2.00 -0.58 114.58 132.25 2b5x h GLU 73 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2b5x h GLU 73 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2b5x h GLU 73 CO 0.55 0.02 0.00 -3.47 -1.00 0.00 0.00 179.01 175.11 2b5x n ASP 74 N -4.12 0.00 0.00 1.42 2.03 -1.26 -3.04 116.55 111.58 2b5x n ASP 74 Ca -0.03 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2b5x n ASP 74 Cb 0.10 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 2b5x n ASP 74 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2b5x n ASP 75 N -1.32 0.06 0.00 1.67 5.68 -0.30 -4.85 116.55 117.48 2b5x n ASP 75 Ca 0.04 -1.01 0.07 0.00 -0.50 0.00 0.00 54.79 53.40 2b5x n ASP 75 Cb 0.08 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.47 2b5x n ASP 75 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2b5x n LEU 76 N -0.00 0.00 -4.02 -2.12 7.94 -0.75 -4.72 117.00 113.32 2b5x n LEU 76 Ca 0.00 0.20 -0.24 0.00 -1.11 0.00 0.00 56.01 54.85 2b5x n LEU 76 Cb 0.27 -0.20 -0.16 0.00 0.53 0.00 0.00 43.42 43.85 2b5x n LEU 76 CO 0.00 -0.10 -0.47 -0.62 -1.11 0.00 0.00 177.39 175.09 2b5x s ASP 77 N -2.39 1.74 0.35 1.96 -1.08 -1.26 -5.04 116.67 110.94 2b5x s ASP 77 Ca 0.17 -0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.18 2b5x s ASP 77 Cb 0.10 -0.78 1.13 0.00 -1.46 0.00 0.00 42.92 41.92 2b5x s ASP 77 CO 0.21 0.04 1.80 1.55 0.52 0.00 0.00 175.17 179.29 2b5x h PRO 78 N 6.91 0.00 -0.08 4.34 0.13 -1.95 -1.91 132.00 139.44 2b5x h PRO 78 Ca -0.31 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.62 2b5x h PRO 78 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2b5x h PRO 78 CO 0.48 0.00 -0.75 0.78 -0.23 0.00 0.00 178.00 178.27 2b5x h GLY 79 N 2.01 0.51 0.90 1.56 0.00 -1.96 -0.09 103.07 106.00 2b5x h GLY 79 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 2b5x h GLY 79 CO 0.00 0.65 0.09 0.50 0.00 0.00 0.00 176.54 177.79 2b5x h LYS 80 N 0.31 0.36 0.52 4.80 1.57 -1.74 -1.03 116.57 121.37 2b5x h LYS 80 Ca -0.04 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2b5x h LYS 80 Cb 1.34 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.60 2b5x h LYS 80 CO 0.13 0.41 -0.25 0.82 -0.57 0.00 0.00 179.45 180.00 2b5x h ILE 81 N 0.24 0.49 -0.30 1.86 2.04 -1.36 -0.70 117.51 119.77 2b5x h ILE 81 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.01 2b5x h ILE 81 Cb 0.19 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 2b5x h ILE 81 CO -0.01 0.00 -0.14 0.50 0.00 0.00 0.00 178.15 178.50 2b5x h LYS 82 N -0.70 -0.09 -0.79 2.37 1.63 -1.00 0.94 116.57 118.92 2b5x h LYS 82 Ca -0.07 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2b5x h LYS 82 Cb 0.54 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 2b5x h LYS 82 CO 0.12 -0.06 0.39 1.49 -3.45 0.00 0.00 179.45 177.94 2b5x h GLU 83 N -0.10 1.12 0.04 1.90 4.81 -0.94 -0.61 114.58 120.80 2b5x h GLU 83 Ca 0.16 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2b5x h GLU 83 Cb 0.33 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2b5x h GLU 83 CO -0.37 0.85 -0.02 1.15 -0.73 0.00 0.00 179.01 179.90 2b5x h THR 84 N 1.12 1.31 -0.75 0.32 2.02 -0.79 -3.23 112.91 112.91 2b5x h THR 84 Ca 0.27 -1.19 0.12 0.00 0.77 0.00 0.00 66.41 66.39 2b5x h THR 84 Cb 0.09 2.10 -0.08 0.00 -1.74 0.00 0.00 68.15 68.51 2b5x h THR 84 CO -0.04 0.30 0.34 0.00 0.37 0.00 0.00 175.52 176.50 2b5x h ALA 85 N 0.34 1.06 -0.60 6.16 0.00 -0.63 -1.01 119.26 124.58 2b5x h ALA 85 Ca -0.01 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.13 2b5x h ALA 85 Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2b5x h ALA 85 CO 0.01 -0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.55 2b5x h ALA 86 N 1.50 2.27 0.09 0.00 0.00 -1.13 -2.14 119.26 119.86 2b5x h ALA 86 Ca 0.39 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.98 2b5x h ALA 86 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2b5x h ALA 86 CO -0.34 -0.43 -1.64 0.93 0.00 0.00 0.00 179.25 177.77 2b5x h GLU 87 N 0.21 0.20 0.00 0.00 5.08 -1.22 -3.28 114.58 115.57 2b5x h GLU 87 Ca 0.29 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2b5x h GLU 87 Cb 0.84 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2b5x h GLU 87 CO -0.05 1.01 0.00 0.72 -1.00 0.00 0.00 179.01 179.69 2b5x n HIS 88 N -3.38 0.00 -1.31 4.33 8.25 -0.87 -4.90 115.22 117.34 2b5x n HIS 88 Ca -0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.17 2b5x n HIS 88 Cb 1.04 -0.42 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 2b5x n HIS 88 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2b5x n ASP 89 N -1.42 -4.70 -4.64 0.41 2.03 -0.86 -4.48 116.55 102.89 2b5x n ASP 89 Ca 0.06 0.26 -0.43 0.00 0.52 0.00 0.00 54.79 55.20 2b5x n ASP 89 Cb 0.17 -3.13 -0.02 0.00 -0.72 0.00 0.00 41.12 37.42 2b5x n ASP 89 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2b5x s ILE 90 N -2.25 3.95 0.00 5.18 -4.36 -1.20 -4.78 121.20 117.74 2b5x s ILE 90 Ca 0.00 1.11 0.00 0.00 -0.26 0.00 0.00 60.65 61.50 2b5x s ILE 90 Cb 0.00 -3.87 0.00 0.00 1.25 0.00 0.00 42.46 39.84 2b5x s ILE 90 CO 0.00 -0.27 0.45 0.35 0.24 0.00 0.00 174.94 175.71 2b5x n THR 91 N 5.96 0.00 -1.24 8.37 -2.24 -1.26 -4.78 114.28 119.09 2b5x n THR 91 Ca 0.16 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 61.11 2b5x n THR 91 Cb 0.45 1.02 0.11 0.00 -2.10 0.00 0.00 70.33 69.81 2b5x n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b5x n GLN 92 N -0.08 0.37 -1.67 -0.78 0.00 -1.26 -4.89 117.38 109.08 2b5x n GLN 92 Ca 0.00 0.20 -0.45 0.00 0.00 0.00 0.00 57.00 56.74 2b5x n GLN 92 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 30.24 27.81 2b5x n GLN 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2b5x n PRO 93 N -2.76 2.02 -4.52 2.61 -0.02 -1.26 -4.68 135.00 126.38 2b5x n PRO 93 Ca 0.14 0.72 -0.23 0.00 -2.02 0.00 0.00 63.50 62.11 2b5x n PRO 93 Cb 0.50 -2.41 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 2b5x n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2b5x s ILE 94 N 0.27 1.36 0.00 4.25 1.01 0.02 -1.19 121.20 126.92 2b5x s ILE 94 Ca 0.72 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2b5x s ILE 94 Cb -0.67 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2b5x s ILE 94 CO 0.46 0.13 -0.05 0.12 0.00 0.00 0.00 174.94 175.60 2b5x s PHE 95 N -0.77 0.44 0.01 3.97 5.36 -0.58 -0.84 117.98 125.57 2b5x s PHE 95 Ca 0.05 -0.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 2b5x s PHE 95 Cb -0.08 -0.28 -0.01 0.00 -0.34 0.00 0.00 43.02 42.31 2b5x s PHE 95 CO 0.01 -0.02 -0.04 0.08 -1.46 0.00 0.00 175.22 173.80 2b5x s VAL 96 N -0.26 0.27 0.04 3.12 1.01 -0.03 -1.21 120.40 123.33 2b5x s VAL 96 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2b5x s VAL 96 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.08 2b5x s VAL 96 CO -0.00 -0.09 0.22 -0.62 0.00 0.00 0.00 175.10 174.61 2b5x s ASP 97 N -0.52 -0.01 0.24 3.32 2.15 -1.26 -1.69 116.67 118.89 2b5x s ASP 97 Ca -0.03 -0.30 0.06 0.00 0.43 0.00 0.00 52.55 52.71 2b5x s ASP 97 Cb -0.04 0.30 0.25 0.00 -0.30 0.00 0.00 42.92 43.13 2b5x s ASP 97 CO -0.00 -0.55 1.55 0.28 -0.17 0.00 0.00 175.17 176.28 2b5x h SER 98 N 3.47 0.19 0.00 -0.34 0.02 -1.96 -3.36 113.55 111.57 2b5x h SER 98 Ca -0.32 -0.12 -0.33 0.00 -0.84 0.00 0.00 61.79 60.19 2b5x h SER 98 Cb 1.19 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 2b5x h SER 98 CO 0.47 0.78 -2.25 -0.67 -1.14 0.00 0.00 176.83 174.02 2b5x n ASP 99 N -3.83 2.03 -3.04 3.07 2.03 -1.26 -5.07 116.55 110.48 2b5x n ASP 99 Ca -0.02 -0.10 -0.16 0.00 0.52 0.00 0.00 54.79 55.03 2b5x n ASP 99 Cb 0.64 -0.14 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 2b5x n ASP 99 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2b5x n HIS 100 N -3.06 -3.21 0.19 -0.67 8.25 -1.26 -4.76 115.22 110.70 2b5x n HIS 100 Ca -0.37 1.32 0.18 0.00 -0.26 0.00 0.00 57.72 58.58 2b5x n HIS 100 Cb 0.94 -3.35 0.82 0.00 1.12 0.00 0.00 29.99 29.52 2b5x n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2b5x h ALA 101 N 2.13 1.82 0.00 -1.41 0.00 -1.93 0.14 119.26 120.02 2b5x h ALA 101 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2b5x h ALA 101 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2b5x h ALA 101 CO 0.20 -0.36 0.00 1.47 0.00 0.00 0.00 179.25 180.56 2b5x n LEU 102 N -3.73 0.00 0.08 0.00 -0.00 -1.26 -1.84 117.00 110.24 2b5x n LEU 102 Ca 0.02 0.43 0.08 0.00 -0.00 0.00 0.00 56.01 56.54 2b5x n LEU 102 Cb 0.37 -0.43 0.35 0.00 -0.00 0.00 0.00 43.42 43.72 2b5x n LEU 102 CO 0.27 -0.18 0.73 0.35 -0.00 0.00 0.00 177.39 178.56 2b5x n THR 103 N -1.43 1.21 0.18 1.47 -2.24 0.50 0.12 114.28 114.09 2b5x n THR 103 Ca 0.06 0.43 0.07 0.00 -2.27 0.00 0.00 64.05 62.34 2b5x n THR 103 Cb 0.18 -1.36 0.15 0.00 -2.10 0.00 0.00 70.33 67.20 2b5x n THR 103 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2b5x h ASP 104 N 0.00 0.00 0.00 3.42 3.58 -1.57 -1.55 116.42 120.30 2b5x h ASP 104 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2b5x h ASP 104 Cb 0.15 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 2b5x h ASP 104 CO 0.00 0.28 -1.48 0.00 -2.88 0.00 0.00 179.24 175.16 2b5x n ALA 105 N -2.18 2.34 0.00 -0.78 0.00 0.09 -4.68 120.51 115.29 2b5x n ALA 105 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2b5x n ALA 105 Cb 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2b5x n ALA 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2b5x n PHE 106 N -1.89 0.00 -4.04 0.00 3.01 0.12 -4.55 117.46 110.11 2b5x n PHE 106 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.14 2b5x n PHE 106 Cb 0.30 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.75 2b5x n PHE 106 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2b5x n GLU 107 N -1.51 -3.53 -1.66 -1.08 2.13 -0.58 -4.65 120.64 109.76 2b5x n GLU 107 Ca 0.00 0.42 -0.56 0.00 0.66 0.00 0.00 57.16 57.67 2b5x n GLU 107 Cb 0.24 -4.85 -0.07 0.00 0.27 0.00 0.00 31.44 27.03 2b5x n GLU 107 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2b5x n ASN 108 N -2.85 1.87 -2.18 4.31 5.15 -1.26 -4.88 115.26 115.42 2b5x n ASN 108 Ca -0.14 1.11 -0.03 0.00 -0.60 0.00 0.00 54.58 54.92 2b5x n ASN 108 Cb 0.60 -1.12 0.06 0.00 -0.53 0.00 0.00 39.78 38.79 2b5x n ASN 108 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2b5x n GLU 109 N 4.00 0.97 -3.79 1.20 2.13 -1.26 -5.01 120.64 118.88 2b5x n GLU 109 Ca 0.24 -1.39 -0.13 0.00 0.66 0.00 0.00 57.16 56.53 2b5x n GLU 109 Cb 0.13 0.25 -0.10 0.00 0.27 0.00 0.00 31.44 31.99 2b5x n GLU 109 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2b5x s TYR 110 N -0.27 -0.19 -0.12 4.31 -0.85 -1.26 -5.17 117.35 113.80 2b5x s TYR 110 Ca 0.09 0.38 -0.30 0.00 -0.52 0.00 0.00 57.07 56.73 2b5x s TYR 110 Cb 0.31 0.07 0.09 0.00 0.38 0.00 0.00 41.96 42.82 2b5x s TYR 110 CO -0.09 -0.28 0.81 0.14 -1.52 0.00 0.00 175.55 174.61 2b5x s VAL 111 N -0.79 0.00 0.48 -3.49 -7.23 -1.26 -4.64 120.40 103.47 2b5x s VAL 111 Ca -0.09 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.87 2b5x s VAL 111 Cb -0.04 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.81 2b5x s VAL 111 CO 0.02 0.00 1.06 -2.16 -0.31 0.00 0.00 175.10 173.71 2b5x s PRO 112 N -0.93 3.81 0.09 4.82 0.04 -1.26 -4.78 135.00 136.78 2b5x s PRO 112 Ca -0.06 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 2b5x s PRO 112 Cb -0.01 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2b5x s PRO 112 CO 0.05 -0.44 0.12 0.00 0.04 0.00 0.00 177.00 176.77 2b5x s ALA 113 N -1.87 0.12 -0.03 8.56 0.00 0.34 -0.77 121.76 128.11 2b5x s ALA 113 Ca 0.66 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 2b5x s ALA 113 Cb -0.19 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.44 2b5x s ALA 113 CO 0.23 -0.48 0.06 0.71 0.00 0.00 0.00 175.76 176.28 2b5x s TYR 114 N -3.91 -0.04 -0.08 0.00 2.02 -0.17 -0.48 117.35 114.69 2b5x s TYR 114 Ca 0.08 0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 2b5x s TYR 114 Cb 0.06 -0.11 0.02 0.00 -0.40 0.00 0.00 41.96 41.53 2b5x s TYR 114 CO -0.08 -0.08 -0.09 0.71 -1.57 0.00 0.00 175.55 174.44 2b5x s TYR 115 N 0.67 1.31 -0.11 2.71 1.51 -0.09 -1.59 117.35 121.76 2b5x s TYR 115 Ca -0.05 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2b5x s TYR 115 Cb -0.08 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 2b5x s TYR 115 CO -0.02 -0.34 -0.19 0.08 -1.11 0.00 0.00 175.55 173.97 2b5x s VAL 116 N 1.08 2.48 -0.05 0.71 1.01 -0.02 -1.40 120.40 124.21 2b5x s VAL 116 Ca -0.07 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2b5x s VAL 116 Cb -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2b5x s VAL 116 CO -0.01 0.54 -0.17 -0.36 0.00 0.00 0.00 175.10 175.11 2b5x s PHE 117 N 0.37 1.72 0.77 5.22 0.40 0.16 -0.08 117.98 126.54 2b5x s PHE 117 Ca -0.15 -0.54 -0.14 0.00 -0.60 0.00 0.00 56.93 55.49 2b5x s PHE 117 Cb -0.17 -1.18 0.06 0.00 0.51 0.00 0.00 43.02 42.24 2b5x s PHE 117 CO 0.07 -0.21 1.20 0.34 0.70 0.00 0.00 175.22 177.32 2b5x s ASP 118 N 0.19 3.96 0.25 1.36 -1.08 -0.36 -1.11 116.67 119.88 2b5x s ASP 118 Ca -0.07 2.32 0.10 0.00 -0.52 0.00 0.00 52.55 54.38 2b5x s ASP 118 Cb -0.13 -2.58 0.56 0.00 -1.46 0.00 0.00 42.92 39.31 2b5x s ASP 118 CO 0.03 -2.42 1.20 2.29 0.52 0.00 0.00 175.17 176.79 2b5x n LYS 119 N -3.02 0.07 0.09 4.34 2.85 -1.26 -0.64 118.16 120.60 2b5x n LYS 119 Ca 0.13 0.51 -0.06 0.00 -1.05 0.00 0.00 58.31 57.85 2b5x n LYS 119 Cb 0.51 -1.99 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 2b5x n LYS 119 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2b5x h THR 120 N 0.00 1.57 0.00 0.58 1.35 -1.90 -0.51 112.91 114.01 2b5x h THR 120 Ca 0.00 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2b5x h THR 120 Cb 0.53 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2b5x h THR 120 CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 2b5x n GLY 121 N 0.88 0.77 3.64 5.82 0.00 0.19 -4.81 105.19 111.68 2b5x n GLY 121 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2b5x n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b5x s GLN 122 N -0.47 3.90 -0.70 1.61 -0.21 -1.25 -0.62 119.66 121.92 2b5x s GLN 122 Ca 0.00 2.04 -0.25 0.00 0.02 0.00 0.00 55.36 57.17 2b5x s GLN 122 Cb 0.00 -4.08 -0.14 0.00 1.00 0.00 0.00 33.01 29.79 2b5x s GLN 122 CO 0.00 -1.19 2.43 -0.11 -2.12 0.00 0.00 175.29 174.30 2b5x n LEU 123 N 8.25 1.56 0.11 2.90 7.94 0.67 -1.22 117.00 137.21 2b5x n LEU 123 Ca 0.20 -0.80 -0.21 0.00 -1.11 0.00 0.00 56.01 54.10 2b5x n LEU 123 Cb 0.44 -1.44 -0.13 0.00 0.53 0.00 0.00 43.42 42.81 2b5x n LEU 123 CO 0.65 -1.86 -0.09 -0.09 -1.11 0.00 0.00 177.39 174.89 2b5x h ARG 124 N 15.51 0.49 -2.82 1.96 9.65 -0.82 0.25 114.38 138.60 2b5x h ARG 124 Ca -0.11 -0.73 0.03 0.00 -1.10 0.00 0.00 59.98 58.07 2b5x h ARG 124 Cb 1.16 0.26 -0.11 0.00 -1.39 0.00 0.00 29.97 29.89 2b5x h ARG 124 CO 1.17 1.33 0.28 -1.58 2.80 0.00 0.00 179.97 183.98 2b5x s HIS 125 N -2.81 -0.41 -0.02 2.20 2.46 -0.83 -4.78 115.29 111.10 2b5x s HIS 125 Ca -0.07 0.16 -0.06 0.00 0.47 0.00 0.00 55.06 55.56 2b5x s HIS 125 Cb 0.06 0.59 0.01 0.00 -0.13 0.00 0.00 32.58 33.10 2b5x s HIS 125 CO 0.92 -0.86 0.14 0.12 -2.47 0.00 0.00 174.74 172.58 2b5x s PHE 126 N -3.63 -0.04 0.20 3.88 5.36 -1.26 -0.84 117.98 121.65 2b5x s PHE 126 Ca 0.04 0.07 -0.07 0.00 -0.96 0.00 0.00 56.93 56.01 2b5x s PHE 126 Cb -0.02 -0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 2b5x s PHE 126 CO -0.08 -0.20 0.28 -0.65 -1.46 0.00 0.00 175.22 173.12 2b5x s GLN 127 N -0.78 1.27 0.06 10.12 -1.52 -0.62 -5.02 119.66 123.17 2b5x s GLN 127 Ca -0.09 -1.34 -0.09 0.00 -1.95 0.00 0.00 55.36 51.89 2b5x s GLN 127 Cb -0.05 0.37 -0.00 0.00 -0.22 0.00 0.00 33.01 33.11 2b5x s GLN 127 CO 0.01 -0.47 0.18 0.00 -0.25 0.00 0.00 175.29 174.76 2b5x s ALA 128 N -4.04 -0.26 -1.44 6.09 0.00 -1.26 -1.00 121.76 119.85 2b5x s ALA 128 Ca 0.25 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 2b5x s ALA 128 Cb 0.03 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2b5x s ALA 128 CO 0.06 -0.43 1.00 0.41 0.00 0.00 0.00 175.76 176.80 2b5x n GLY 129 N 0.32 -0.53 3.76 0.00 0.00 0.05 -4.98 105.19 103.80 2b5x n GLY 129 Ca -0.17 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2b5x n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b5x s GLY 130 N -3.16 2.45 -0.34 -0.02 0.00 -1.26 -4.99 107.32 100.00 2b5x s GLY 130 Ca 0.54 -0.16 -0.33 0.00 0.00 0.00 0.00 44.72 44.77 2b5x s GLY 130 CO 0.67 0.60 2.22 1.44 0.00 0.00 0.00 173.10 178.03 2b5x n SER 131 N 3.02 2.35 -2.58 1.64 7.64 -1.26 -1.57 113.62 122.86 2b5x n SER 131 Ca -0.09 0.31 -0.13 0.00 1.01 0.00 0.00 58.87 59.97 2b5x n SER 131 Cb 0.52 -1.34 -0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2b5x n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b5x n GLY 132 N 6.35 -0.50 2.07 0.23 0.00 -1.26 -1.25 105.19 110.84 2b5x n GLY 132 Ca 0.39 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 2b5x n GLY 132 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2b5x n MET 133 N -2.94 -1.49 -0.29 1.61 0.00 -0.61 -4.74 117.12 108.67 2b5x n MET 133 Ca -0.12 0.71 0.01 0.00 0.00 0.00 0.00 57.70 58.30 2b5x n MET 133 Cb 0.60 -5.03 0.21 0.00 0.00 0.00 0.00 33.22 29.00 2b5x n MET 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2b5x h LYS 134 N 0.00 1.07 -0.18 0.03 1.63 -1.42 -1.96 116.57 115.74 2b5x h LYS 134 Ca -0.27 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.30 2b5x h LYS 134 Cb 0.91 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2b5x h LYS 134 CO 0.37 0.71 -0.60 1.98 -3.45 0.00 0.00 179.45 178.47 2b5x h MET 135 N 1.11 0.60 -0.68 1.90 4.05 -1.89 -3.22 114.93 116.80 2b5x h MET 135 Ca 0.34 -0.41 0.10 0.00 -0.28 0.00 0.00 59.70 59.45 2b5x h MET 135 Cb -0.01 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 2b5x h MET 135 CO -0.10 1.02 0.45 1.25 0.23 0.00 0.00 176.91 179.77 2b5x h LEU 136 N 0.45 0.48 -1.89 3.39 5.85 -1.75 0.92 115.31 122.77 2b5x h LEU 136 Ca -0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2b5x h LEU 136 Cb 1.16 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2b5x h LEU 136 CO 0.11 0.29 0.18 -0.08 -0.34 0.00 0.00 178.44 178.60 2b5x h GLU 137 N 0.53 0.14 0.05 1.25 4.81 -1.54 0.48 114.58 120.30 2b5x h GLU 137 Ca 0.31 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2b5x h GLU 137 Cb 0.52 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2b5x h GLU 137 CO -0.10 0.09 -0.02 0.87 -0.73 0.00 0.00 179.01 179.12 2b5x h LYS 138 N 0.15 -0.06 -0.05 1.92 1.79 -0.97 -2.15 116.57 117.19 2b5x h LYS 138 Ca 0.11 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2b5x h LYS 138 Cb 0.27 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2b5x h LYS 138 CO -0.02 0.28 0.02 -0.09 -1.08 0.00 0.00 179.45 178.56 2b5x h ARG 139 N -0.40 0.07 -0.43 3.15 9.65 -1.16 -0.69 114.38 124.57 2b5x h ARG 139 Ca -0.01 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2b5x h ARG 139 Cb 0.37 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 2b5x h ARG 139 CO 0.01 0.15 0.27 0.28 2.80 0.00 0.00 179.97 183.48 2b5x h VAL 140 N -0.03 1.09 0.00 0.20 2.07 -1.03 -0.52 116.25 118.03 2b5x h VAL 140 Ca 0.02 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2b5x h VAL 140 Cb 0.10 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2b5x h VAL 140 CO -0.00 0.10 -0.40 -0.55 0.02 0.00 0.00 177.57 176.74 2b5x h ASN 141 N 0.56 0.00 -0.28 0.57 7.08 -1.13 0.13 115.58 122.50 2b5x h ASN 141 Ca 0.16 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.36 2b5x h ASN 141 Cb -0.04 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.19 2b5x h ASN 141 CO -0.05 0.40 0.08 -0.09 -2.08 0.00 0.00 177.43 175.69 2b5x h ARG 142 N 0.00 0.45 -0.35 4.14 1.12 -0.60 -0.68 114.38 118.46 2b5x h ARG 142 Ca -0.00 -0.10 -0.07 0.00 -1.11 0.00 0.00 59.98 58.70 2b5x h ARG 142 Cb 0.85 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.73 2b5x h ARG 142 CO 0.05 0.52 -0.07 0.28 -3.11 0.00 0.00 179.97 177.64 2b5x h VAL 143 N 0.30 1.23 -0.31 0.20 2.07 -0.35 -0.35 116.25 119.04 2b5x h VAL 143 Ca 0.09 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.66 2b5x h VAL 143 Cb 0.26 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2b5x h VAL 143 CO -0.00 0.32 0.17 -0.07 0.02 0.00 0.00 177.57 178.01 2b5x h LEU 144 N 0.54 0.27 0.00 2.57 3.38 -0.86 -0.74 115.31 120.47 2b5x h LEU 144 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2b5x h LEU 144 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2b5x h LEU 144 CO 0.02 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2b5x n ALA 145 N -2.22 2.01 0.92 1.53 0.00 -0.27 -0.71 120.51 121.77 2b5x n ALA 145 Ca -0.01 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.46 2b5x n ALA 145 Cb 0.06 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.27 2b5x n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2b5x n GLU 146 N -0.86 0.86 0.00 0.00 1.02 -0.26 -4.59 120.64 116.82 2b5x n GLU 146 Ca 0.08 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 2b5x n GLU 146 Cb 0.04 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2b5x n GLU 146 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2b5x n THR 147 N -0.89 0.00 -1.31 2.62 -1.04 0.11 -5.08 114.28 108.69 2b5x n THR 147 Ca 0.06 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 2b5x n THR 147 Cb 0.36 1.25 0.00 0.00 -1.82 0.00 0.00 70.33 70.11 2b5x n THR 147 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64