#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 1.49 0.66 0.03 -2.85 -1.26 -5.16 119.74 112.65 2b5x s LYS 2 Ca 0.00 -1.79 -0.11 0.00 -1.00 0.00 0.00 55.97 53.07 2b5x s LYS 2 Cb 0.00 -0.74 -0.01 0.00 -2.06 0.00 0.00 37.83 35.02 2b5x s LYS 2 CO 0.00 -0.13 1.06 -0.51 0.10 0.00 0.00 175.35 175.86 2b5x s LEU 3 N -3.39 3.07 -1.32 2.77 1.43 -1.26 -3.69 118.68 116.29 2b5x s LEU 3 Ca 0.33 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2b5x s LEU 3 Cb 0.07 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 42.12 2b5x s LEU 3 CO 0.12 -1.10 0.00 0.54 0.23 0.00 0.00 176.35 176.14 2b5x n ARG 4 N -2.86 -1.34 -2.39 1.70 1.74 1.00 -4.93 116.66 109.58 2b5x n ARG 4 Ca 0.06 0.73 -0.38 0.00 -0.77 0.00 0.00 57.85 57.50 2b5x n ARG 4 Cb 0.56 -4.99 -0.03 0.00 -1.02 0.00 0.00 32.46 26.98 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 -3.19 4.10 0.37 5.56 -0.21 -1.24 -4.54 119.66 120.50 2b5x s GLN 5 Ca 0.00 1.71 -0.25 0.00 0.02 0.00 0.00 55.36 56.84 2b5x s GLN 5 Cb 0.00 -2.63 -0.09 0.00 1.00 0.00 0.00 33.01 31.29 2b5x s GLN 5 CO 0.00 -0.25 1.08 -1.25 -2.12 0.00 0.00 175.29 172.75 2b5x s PRO 6 N -2.36 4.25 -0.33 2.91 0.04 -1.26 -0.18 135.00 138.08 2b5x s PRO 6 Ca 0.57 1.63 -0.41 0.00 0.04 0.00 0.00 61.00 62.83 2b5x s PRO 6 Cb -0.27 -2.71 -0.16 0.00 0.04 0.00 0.00 34.50 31.40 2b5x s PRO 6 CO 0.34 -0.09 1.77 -0.12 0.04 0.00 0.00 177.00 178.94 2b5x n MET 7 N 0.23 0.91 0.00 4.56 1.56 0.01 -4.90 117.12 119.49 2b5x n MET 7 Ca 0.04 0.33 0.00 0.00 -0.27 0.00 0.00 57.70 57.79 2b5x n MET 7 Cb 0.48 -2.00 0.00 0.00 2.15 0.00 0.00 33.22 33.85 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 5.43 0.00 -3.00 2.12 -0.04 -1.26 -4.98 135.00 133.28 2b5x n PRO 8 Ca 0.29 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.61 2b5x n PRO 8 Cb 0.10 -0.26 -0.00 0.00 -0.04 0.00 0.00 33.50 33.29 2b5x n PRO 8 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2b5x n GLU 9 N -1.12 0.84 -2.18 0.54 0.28 -1.26 -5.01 120.64 112.74 2b5x n GLU 9 Ca 0.00 -2.66 -0.31 0.00 -0.16 0.00 0.00 57.16 54.03 2b5x n GLU 9 Cb 0.00 -1.36 -0.05 0.00 1.43 0.00 0.00 31.44 31.46 2b5x n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2b5x s LEU 10 N -1.55 3.24 0.15 -1.84 2.01 -1.26 -3.25 118.68 116.18 2b5x s LEU 10 Ca 0.33 -1.37 -0.19 0.00 0.01 0.00 0.00 54.13 52.91 2b5x s LEU 10 Cb 0.25 -2.57 0.05 0.00 0.01 0.00 0.00 46.19 43.92 2b5x s LEU 10 CO -0.13 -2.53 0.50 0.28 1.01 0.00 0.00 176.35 175.48 2b5x s THR 11 N 9.12 0.04 -5.00 5.49 -1.32 -1.26 -4.82 115.64 117.88 2b5x s THR 11 Ca 0.65 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 2b5x s THR 11 Cb -0.02 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 2b5x s THR 11 CO 0.05 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 2b5x n GLY 12 N -0.30 -2.19 2.94 6.08 0.00 -1.26 -3.12 105.19 107.33 2b5x n GLY 12 Ca -0.16 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 2b5x n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b5x s GLU 13 N -1.90 0.73 0.00 1.61 2.12 -1.26 -4.90 118.70 115.10 2b5x s GLU 13 Ca 0.00 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2b5x s GLU 13 Cb 0.00 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.00 2b5x s GLU 13 CO 0.00 -1.20 0.00 1.17 -0.54 0.00 0.00 175.26 174.69 2b5x n LYS 14 N 4.24 0.00 -3.58 4.30 4.81 -0.36 -4.46 118.16 123.11 2b5x n LYS 14 Ca 0.12 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.44 2b5x n LYS 14 Cb 0.50 -0.29 -0.04 0.00 0.02 0.00 0.00 35.03 35.22 2b5x n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2b5x s ALA 15 N -1.45 -1.13 -0.01 3.14 0.00 -0.61 -4.95 121.76 116.74 2b5x s ALA 15 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.19 2b5x s ALA 15 Cb 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 2b5x s ALA 15 CO 0.00 -0.63 -0.10 1.67 0.00 0.00 0.00 175.76 176.70 2b5x s TRP 16 N -3.44 0.93 -0.08 0.00 1.48 -1.26 -0.75 118.94 115.82 2b5x s TRP 16 Ca 0.00 -0.18 -0.01 0.00 -1.06 0.00 0.00 56.10 54.85 2b5x s TRP 16 Cb 0.01 -0.60 0.03 0.00 -1.16 0.00 0.00 33.47 31.74 2b5x s TRP 16 CO -0.10 -0.02 0.00 -1.17 -4.06 0.00 0.00 176.95 171.61 2b5x s LEU 17 N -0.24 0.65 0.00 -4.66 2.96 0.22 -4.76 118.68 112.86 2b5x s LEU 17 Ca 0.04 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2b5x s LEU 17 Cb -0.04 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.19 2b5x s LEU 17 CO -0.00 -0.20 0.00 0.59 -1.32 0.00 0.00 176.35 175.41 2b5x n ASN 18 N 5.14 0.00 0.00 3.68 3.02 -1.26 -0.85 115.26 124.98 2b5x n ASN 18 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2b5x n ASN 18 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.00 -2.28 3.07 7.41 0.00 -1.26 -4.82 105.19 107.31 2b5x n GLY 19 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 2b5x n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2b5x s GLU 20 N -1.91 0.57 0.27 1.61 4.04 -1.26 -2.78 118.70 119.24 2b5x s GLU 20 Ca 0.00 -1.05 -0.07 0.00 0.04 0.00 0.00 54.97 53.89 2b5x s GLU 20 Cb 0.00 0.08 -0.01 0.00 0.02 0.00 0.00 34.13 34.22 2b5x s GLU 20 CO 0.00 -0.07 0.40 0.08 -1.84 0.00 0.00 175.26 173.83 2b5x s VAL 21 N -3.07 0.00 0.15 1.83 1.01 -1.26 -5.06 120.40 114.00 2b5x s VAL 21 Ca 0.01 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.45 2b5x s VAL 21 Cb 0.02 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2b5x s VAL 21 CO -0.06 0.00 -0.14 0.42 0.00 0.00 0.00 175.10 175.31 2b5x s THR 22 N -3.72 1.50 0.27 3.92 -4.23 -1.26 -4.92 115.64 107.20 2b5x s THR 22 Ca 0.29 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 2b5x s THR 22 Cb 0.01 -1.74 0.28 0.00 1.34 0.00 0.00 72.50 72.39 2b5x s THR 22 CO 0.14 -0.47 1.66 0.08 -0.54 0.00 0.00 174.62 175.49 2b5x h ARG 23 N 3.17 0.23 0.00 3.99 0.11 -1.95 -1.40 114.38 118.54 2b5x h ARG 23 Ca -0.40 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2b5x h ARG 23 Cb 1.20 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2b5x h ARG 23 CO 0.55 0.15 0.00 1.05 0.10 0.00 0.00 179.97 181.82 2b5x h GLU 24 N 0.24 0.00 0.00 0.08 4.11 -1.96 0.48 114.58 117.52 2b5x h GLU 24 Ca 0.48 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.73 2b5x h GLU 24 Cb 0.91 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2b5x h GLU 24 CO -0.59 0.00 -1.73 1.04 0.07 0.00 0.00 179.01 177.80 2b5x n GLN 25 N -2.72 0.64 -0.06 1.06 6.02 -0.69 -4.52 117.38 117.12 2b5x n GLN 25 Ca 0.01 0.10 -0.14 0.00 -0.01 0.00 0.00 57.00 56.96 2b5x n GLN 25 Cb 0.26 -1.70 -0.13 0.00 1.02 0.00 0.00 30.24 29.70 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 0.01-10.54 1.08 3.38 -0.03 -3.48 115.31 105.72 2b5x h LEU 26 Ca -0.22 -0.93 -0.45 0.00 0.09 0.00 0.00 57.88 56.37 2b5x h LEU 26 Cb 1.64 -0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.43 2b5x h LEU 26 CO 0.03 0.94 -0.10 0.27 0.09 0.00 0.00 178.44 179.67 2b5x s ILE 27 N -2.49 2.60 0.00 1.22 -4.36 -0.02 -4.55 121.20 113.60 2b5x s ILE 27 Ca -0.19 -0.83 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 2b5x s ILE 27 Cb -0.02 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2b5x s ILE 27 CO 0.69 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.48 2b5x n GLY 28 N -2.24 1.59 1.07 6.27 0.00 -0.15 -4.85 105.19 106.88 2b5x n GLY 28 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.70 0.00 -4.18 1.61 4.07 -1.26 -4.99 120.64 115.19 2b5x n GLU 29 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 2b5x n GLU 29 Cb 0.00 -0.17 -0.13 0.00 -0.06 0.00 0.00 31.44 31.08 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 -1.53 0.58 1.02 5.31 1.02 -1.26 -4.91 119.74 119.96 2b5x s LYS 30 Ca 0.00 -0.50 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 2b5x s LYS 30 Cb 0.00 -0.49 -0.00 0.00 -0.52 0.00 0.00 37.83 36.82 2b5x s LYS 30 CO 0.00 0.12 -0.16 -2.30 -0.92 0.00 0.00 175.35 172.09 2b5x n PRO 31 N 2.24 -0.64 -4.17 -1.68 -0.02 -1.25 -4.16 135.00 125.32 2b5x n PRO 31 Ca -0.17 -0.16 -0.16 0.00 -2.02 0.00 0.00 63.50 60.98 2b5x n PRO 31 Cb 0.56 -1.56 -0.12 0.00 -0.02 0.00 0.00 33.50 32.36 2b5x n PRO 31 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2b5x s THR 32 N -2.23 0.81 -0.11 3.45 2.01 -0.06 -0.61 115.64 118.91 2b5x s THR 32 Ca 0.51 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2b5x s THR 32 Cb -0.14 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.59 2b5x s THR 32 CO 0.69 -0.19 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.04 2b5x s LEU 33 N -1.34 1.85 -0.09 4.42 2.96 0.29 -0.69 118.68 126.09 2b5x s LEU 33 Ca -0.04 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2b5x s LEU 33 Cb -0.09 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 2b5x s LEU 33 CO 0.01 0.06 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.30 2b5x s ILE 34 N 0.78 2.76 0.19 6.68 1.01 -0.63 -1.82 121.20 130.16 2b5x s ILE 34 Ca -0.10 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2b5x s ILE 34 Cb -0.16 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2b5x s ILE 34 CO 0.01 0.56 0.02 -1.00 0.00 0.00 0.00 174.94 174.53 2b5x s HIS 35 N -0.10 2.86 -0.16 3.97 3.76 -0.96 -1.30 115.29 123.36 2b5x s HIS 35 Ca -0.03 -0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 54.73 2b5x s HIS 35 Cb -0.14 -1.36 0.05 0.00 1.11 0.00 0.00 32.58 32.23 2b5x s HIS 35 CO 0.04 0.53 -0.01 -0.06 -0.85 0.00 0.00 174.74 174.39 2b5x s PHE 36 N -1.82 1.23 0.29 1.40 0.40 -0.03 -0.90 117.98 118.55 2b5x s PHE 36 Ca 0.28 -0.80 -0.06 0.00 -0.60 0.00 0.00 56.93 55.76 2b5x s PHE 36 Cb -0.09 -1.10 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 2b5x s PHE 36 CO 0.19 -0.55 0.42 1.67 0.70 0.00 0.00 175.22 177.65 2b5x s TRP 37 N 1.79 0.84 -0.07 0.36 1.48 -1.03 -0.30 118.94 122.01 2b5x s TRP 37 Ca 0.01 -1.11 -0.05 0.00 -1.06 0.00 0.00 56.10 53.89 2b5x s TRP 37 Cb -0.15 -0.07 0.03 0.00 -1.16 0.00 0.00 33.47 32.12 2b5x s TRP 37 CO -0.07 -1.01 0.17 0.45 -4.06 0.00 0.00 176.95 172.43 2b5x s SER 38 N -3.15 -0.17 0.04 -2.66 0.15 -1.26 -0.54 113.70 106.11 2b5x s SER 38 Ca 0.29 0.35 0.15 0.00 0.70 0.00 0.00 55.95 57.44 2b5x s SER 38 Cb 0.01 0.30 0.65 0.00 -1.71 0.00 0.00 66.02 65.27 2b5x s SER 38 CO 0.15 -0.10 1.48 2.30 1.20 0.00 0.00 173.24 178.27 2b5x n ILE 39 N 3.56 1.01 1.41 6.45 -5.35 -1.26 -3.38 119.36 121.80 2b5x n ILE 39 Ca -0.19 0.26 0.14 0.00 -0.27 0.00 0.00 62.75 62.69 2b5x n ILE 39 Cb 0.56 -1.05 0.49 0.00 -1.74 0.00 0.00 39.64 37.89 2b5x n ILE 39 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2b5x n SER 40 N -1.62 1.19 -4.02 7.28 7.64 -1.26 -4.89 113.62 117.95 2b5x n SER 40 Ca 0.03 -1.17 -0.26 0.00 1.01 0.00 0.00 58.87 58.48 2b5x n SER 40 Cb 0.17 0.05 -0.17 0.00 -1.01 0.00 0.00 64.21 63.25 2b5x n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b5x h HIS 42 N 7.20 1.13 -0.16 0.00 2.07 -1.90 -1.64 115.15 121.86 2b5x h HIS 42 Ca -0.30 -0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.16 2b5x h HIS 42 Cb 1.18 -0.37 -0.01 0.00 2.57 0.00 0.00 27.41 30.78 2b5x h HIS 42 CO 0.48 0.78 -0.07 -0.07 -3.07 0.00 0.00 177.93 175.98 2b5x h LEU 43 N 1.16 0.22 -0.46 6.12 3.38 -1.95 -0.62 115.31 123.16 2b5x h LEU 43 Ca 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2b5x h LEU 43 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2b5x h LEU 43 CO -0.05 0.33 0.19 0.00 0.09 0.00 0.00 178.44 179.00 2b5x h LYS 45 N 0.60 0.00 0.07 0.00 1.79 -0.83 0.19 116.57 118.39 2b5x h LYS 45 Ca 0.15 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.27 2b5x h LYS 45 Cb 0.17 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 2b5x h LYS 45 CO -0.01 0.00 -2.00 0.39 -1.08 0.00 0.00 179.45 176.74 2b5x n GLU 46 N -2.58 0.71 -0.14 3.15 -0.58 -0.90 -4.06 120.64 116.24 2b5x n GLU 46 Ca 0.00 0.24 -0.07 0.00 -0.42 0.00 0.00 57.16 56.92 2b5x n GLU 46 Cb 0.20 -1.70 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 0.36 0.55 -0.64 0.62 0.00 -0.45 -3.01 119.26 116.69 2b5x h ALA 47 Ca -0.41 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2b5x h ALA 47 Cb 2.03 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 2b5x h ALA 47 CO 0.06 -0.03 0.34 0.52 0.00 0.00 0.00 179.25 180.13 2b5x h MET 48 N 0.55 0.60 -0.67 0.00 2.86 -0.78 0.51 114.93 118.00 2b5x h MET 48 Ca 0.17 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 2b5x h MET 48 Cb -0.02 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2b5x h MET 48 CO -0.06 0.39 0.10 -1.00 1.06 0.00 0.00 176.91 177.41 2b5x h PRO 49 N 0.61 1.12 -0.23 -0.22 0.13 -1.73 -2.29 132.00 129.40 2b5x h PRO 49 Ca 0.29 -0.30 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2b5x h PRO 49 Cb 0.22 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 2b5x h PRO 49 CO -0.20 1.02 -0.27 0.37 -0.23 0.00 0.00 178.00 178.70 2b5x h GLN 50 N 1.04 0.45 -1.00 0.86 -0.00 -0.65 -1.77 115.11 114.03 2b5x h GLN 50 Ca 0.20 -0.17 0.07 0.00 -0.00 0.00 0.00 58.65 58.76 2b5x h GLN 50 Cb 0.45 -0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.84 2b5x h GLN 50 CO 0.01 0.68 0.65 0.28 0.00 0.00 0.00 178.83 180.45 2b5x h VAL 51 N 0.39 1.06 -0.07 2.39 2.07 -0.01 0.15 116.25 122.24 2b5x h VAL 51 Ca 0.06 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2b5x h VAL 51 Cb 0.67 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2b5x h VAL 51 CO 0.05 0.21 -0.09 -1.13 0.02 0.00 0.00 177.57 176.63 2b5x h ASN 52 N 1.14 -0.28 0.84 0.57 -1.24 -0.73 0.66 115.58 116.54 2b5x h ASN 52 Ca 0.44 0.05 -0.14 0.00 0.71 0.00 0.00 56.30 57.37 2b5x h ASN 52 Cb 0.22 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 2b5x h ASN 52 CO -0.19 -0.13 -0.67 1.05 -1.29 0.00 0.00 177.43 176.21 2b5x h GLU 53 N -0.13 0.00 -0.43 6.67 4.11 -1.14 -2.76 114.58 120.90 2b5x h GLU 53 Ca 0.06 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.42 2b5x h GLU 53 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2b5x h GLU 53 CO -0.14 0.67 0.01 0.35 0.07 0.00 0.00 179.01 179.97 2b5x h PHE 54 N 0.00 0.81 -0.47 2.06 3.04 -0.38 0.13 116.94 122.14 2b5x h PHE 54 Ca -0.01 -0.14 0.05 0.00 3.98 0.00 0.00 57.97 61.86 2b5x h PHE 54 Cb 1.27 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 39.51 2b5x h PHE 54 CO 0.00 0.80 0.20 -0.09 -2.02 0.00 0.00 178.31 177.20 2b5x h ARG 55 N 0.59 0.39 -0.26 1.11 1.12 -0.82 -2.07 114.38 114.44 2b5x h ARG 55 Ca 0.12 -0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.82 2b5x h ARG 55 Cb 0.47 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.34 2b5x h ARG 55 CO 0.02 0.26 -0.42 0.22 -3.11 0.00 0.00 179.97 176.93 2b5x h ASP 56 N 0.40 0.82 -0.39 -3.80 3.58 -1.14 -0.27 116.42 115.62 2b5x h ASP 56 Ca 0.22 -0.52 0.01 0.00 0.42 0.00 0.00 57.03 57.16 2b5x h ASP 56 Cb 0.18 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2b5x h ASP 56 CO -0.19 1.19 0.26 0.11 -2.88 0.00 0.00 179.24 177.73 2b5x h LYS 57 N 0.48 0.47 0.00 0.28 1.57 -0.49 -3.30 116.57 115.58 2b5x h LYS 57 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2b5x h LYS 57 Cb 1.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2b5x h LYS 57 CO 0.10 0.31 0.00 0.66 -0.57 0.00 0.00 179.45 179.95 2b5x n TYR 58 N -4.48 0.00 0.02 -1.35 4.01 -0.80 -4.80 117.16 109.76 2b5x n TYR 58 Ca 0.03 -0.11 0.22 0.00 -0.16 0.00 0.00 57.90 57.89 2b5x n TYR 58 Cb 0.10 -0.01 0.72 0.00 -0.31 0.00 0.00 39.34 39.83 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 -1.12 0.55 115.11 113.81 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 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 2b5x h GLN 59 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 178.83 179.05 2b5x h ASP 60 N 0.00 0.00 0.00 0.06 3.58 -1.86 -3.36 116.42 114.84 2b5x h ASP 60 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2b5x h ASP 60 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 2b5x h ASP 60 CO -0.00 0.00 -0.01 0.00 -2.88 0.00 0.00 179.24 176.35 2b5x n GLN 61 N -2.31 1.45 -3.73 0.28 6.02 -0.02 -5.07 117.38 114.00 2b5x n GLN 61 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.90 2b5x n GLN 61 Cb 0.35 -0.11 -0.14 0.00 1.02 0.00 0.00 30.24 31.36 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 -0.39 0.53 0.24 1.08 2.96 -0.03 -3.93 118.68 119.13 2b5x s LEU 62 Ca 0.00 0.43 -0.27 0.00 -0.22 0.00 0.00 54.13 54.07 2b5x s LEU 62 Cb 0.00 0.58 -0.09 0.00 0.50 0.00 0.00 46.19 47.18 2b5x s LEU 62 CO 0.00 -0.16 0.88 0.20 -1.32 0.00 0.00 176.35 175.95 2b5x s ASN 63 N 1.25 7.47 -0.08 3.68 0.01 0.22 -4.12 114.94 123.37 2b5x s ASN 63 Ca -0.09 1.81 0.02 0.00 -0.71 0.00 0.00 52.86 53.89 2b5x s ASN 63 Cb -0.11 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.00 2b5x s ASN 63 CO -0.07 0.11 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.80 2b5x s VAL 64 N -1.29 1.32 0.15 1.60 1.01 -1.26 -0.55 120.40 121.38 2b5x s VAL 64 Ca 0.42 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 2b5x s VAL 64 Cb -0.23 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2b5x s VAL 64 CO 0.28 0.40 0.18 0.68 0.00 0.00 0.00 175.10 176.64 2b5x s VAL 65 N 0.72 0.08 0.26 2.92 -7.23 -0.75 -4.23 120.40 112.16 2b5x s VAL 65 Ca -0.13 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2b5x s VAL 65 Cb -0.16 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2b5x s VAL 65 CO 0.03 -0.34 0.30 0.00 -0.31 0.00 0.00 175.10 174.78 2b5x s ALA 66 N -4.01 0.88 -0.01 1.32 0.00 -0.70 -2.26 121.76 116.97 2b5x s ALA 66 Ca 0.21 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.66 2b5x s ALA 66 Cb 0.05 1.29 0.00 0.00 0.00 0.00 0.00 23.12 24.46 2b5x s ALA 66 CO 0.02 -0.70 -0.07 0.08 0.00 0.00 0.00 175.76 175.09 2b5x s VAL 67 N -3.81 0.56 -0.40 0.00 1.01 -0.07 -2.29 120.40 115.40 2b5x s VAL 67 Ca 0.34 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2b5x s VAL 67 Cb 0.03 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.94 2b5x s VAL 67 CO 0.15 0.18 0.27 -2.28 0.00 0.00 0.00 175.10 173.42 2b5x s HIS 68 N 0.06 3.25 0.04 5.22 2.46 -0.78 -2.48 115.29 123.06 2b5x s HIS 68 Ca -0.00 -0.81 -0.30 0.00 0.47 0.00 0.00 55.06 54.41 2b5x s HIS 68 Cb -0.05 -2.60 -0.07 0.00 -0.13 0.00 0.00 32.58 29.73 2b5x s HIS 68 CO -0.00 -0.64 1.47 1.41 -2.47 0.00 0.00 174.74 174.50 2b5x s MET 69 N 1.61 4.26 -1.48 2.88 1.75 0.29 -4.68 119.30 123.94 2b5x s MET 69 Ca 0.04 2.08 -0.12 0.00 -1.25 0.00 0.00 55.69 56.44 2b5x s MET 69 Cb -0.20 -3.53 -0.03 0.00 2.84 0.00 0.00 34.83 33.91 2b5x s MET 69 CO 0.08 -0.60 2.54 -0.35 -0.65 0.00 0.00 175.02 176.04 2b5x n PRO 70 N 5.21 3.13 0.24 4.11 -0.04 -1.26 -4.50 135.00 141.90 2b5x n PRO 70 Ca 0.14 -2.34 0.10 0.00 -0.04 0.00 0.00 63.50 61.36 2b5x n PRO 70 Cb 0.43 -3.02 0.62 0.00 -0.04 0.00 0.00 33.50 31.48 2b5x n PRO 70 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2b5x h ARG 71 N 5.66 0.00 0.00 0.54 9.65 -1.91 -3.47 114.38 124.85 2b5x h ARG 71 Ca 0.70 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.58 2b5x h ARG 71 Cb 0.46 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 2b5x h ARG 71 CO 1.83 0.17 0.00 0.43 2.80 0.00 0.00 179.97 185.20 2b5x n SER 72 N -3.82 0.40 -0.31 -3.80 7.64 -1.26 -5.07 113.62 107.40 2b5x n SER 72 Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.89 2b5x n SER 72 Cb 0.27 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.52 2b5x n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2b5x n GLU 73 N 0.00 1.07 -0.13 1.43 1.02 -1.26 -4.30 120.64 118.47 2b5x n GLU 73 Ca 0.00 -1.25 -0.28 0.00 -0.02 0.00 0.00 57.16 55.61 2b5x n GLU 73 Cb 0.00 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 2b5x n GLU 73 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2b5x n ASP 74 N 0.27 1.95 0.00 1.62 2.03 -1.26 -4.20 116.55 116.96 2b5x n ASP 74 Ca 0.05 0.34 0.02 0.00 0.52 0.00 0.00 54.79 55.72 2b5x n ASP 74 Cb 0.24 -0.82 0.10 0.00 -0.72 0.00 0.00 41.12 39.92 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 -4.28 0.00 0.09 1.67 5.68 -1.26 -2.48 116.55 115.98 2b5x n ASP 75 Ca -0.50 -0.62 0.13 0.00 -0.50 0.00 0.00 54.79 53.30 2b5x n ASP 75 Cb 0.85 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.27 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 -0.65 0.70 -4.34 -2.12 7.94 -1.26 -4.46 117.00 112.81 2b5x n LEU 76 Ca 0.03 0.57 -0.35 0.00 -1.11 0.00 0.00 56.01 55.15 2b5x n LEU 76 Cb 0.01 -0.36 -0.14 0.00 0.53 0.00 0.00 43.42 43.46 2b5x n LEU 76 CO 0.02 -0.19 -0.37 -0.62 -1.11 0.00 0.00 177.39 175.12 2b5x s ASP 77 N -4.31 4.42 0.40 1.96 -1.08 -1.03 -5.01 116.67 112.01 2b5x s ASP 77 Ca 0.10 -0.36 0.21 0.00 -0.52 0.00 0.00 52.55 51.99 2b5x s ASP 77 Cb 0.13 -1.76 0.72 0.00 -1.46 0.00 0.00 42.92 40.55 2b5x s ASP 77 CO 0.57 -0.01 1.74 1.55 0.52 0.00 0.00 175.17 179.54 2b5x h PRO 78 N 8.04 0.00 -0.34 4.34 0.13 -1.90 -2.73 132.00 139.54 2b5x h PRO 78 Ca -0.40 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 2b5x h PRO 78 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2b5x h PRO 78 CO 0.60 0.31 -0.36 0.78 -0.23 0.00 0.00 178.00 179.10 2b5x h GLY 79 N 2.27 0.85 0.99 1.56 0.00 -1.97 -0.78 103.07 105.99 2b5x h GLY 79 Ca -0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 2b5x h GLY 79 CO 0.04 0.75 0.20 0.50 0.00 0.00 0.00 176.54 178.03 2b5x h LYS 80 N 0.64 0.86 0.27 4.80 1.57 -1.86 -0.32 116.57 122.53 2b5x h LYS 80 Ca 0.06 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2b5x h LYS 80 Cb 0.91 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2b5x h LYS 80 CO 0.08 0.77 -0.13 0.82 -0.57 0.00 0.00 179.45 180.42 2b5x h ILE 81 N 0.79 0.74 -0.35 1.86 2.04 -1.23 0.02 117.51 121.37 2b5x h ILE 81 Ca 0.19 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 2b5x h ILE 81 Cb 0.24 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 2b5x h ILE 81 CO -0.01 0.00 -0.01 0.50 0.00 0.00 0.00 178.15 178.63 2b5x h LYS 82 N -0.36 0.08 -0.64 2.37 3.64 -1.03 -0.39 116.57 120.25 2b5x h LYS 82 Ca -0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2b5x h LYS 82 Cb 0.28 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2b5x h LYS 82 CO 0.06 0.06 0.28 1.49 -2.27 0.00 0.00 179.45 179.06 2b5x h GLU 83 N 0.09 0.94 0.01 1.90 4.57 -0.84 -1.28 114.58 119.97 2b5x h GLU 83 Ca 0.17 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2b5x h GLU 83 Cb 0.24 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2b5x h GLU 83 CO -0.30 0.78 -0.01 1.15 -1.18 0.00 0.00 179.01 179.45 2b5x h THR 84 N 0.89 1.09 -0.49 0.32 2.02 -0.69 -2.98 112.91 113.07 2b5x h THR 84 Ca 0.22 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2b5x h THR 84 Cb 0.17 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2b5x h THR 84 CO -0.02 0.08 0.30 0.00 0.37 0.00 0.00 175.52 176.25 2b5x h ALA 85 N 0.83 1.59 -0.62 6.16 0.00 -0.86 -1.67 119.26 124.70 2b5x h ALA 85 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2b5x h ALA 85 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2b5x h ALA 85 CO 0.00 0.36 0.41 0.00 0.00 0.00 0.00 179.25 180.02 2b5x h ALA 86 N 1.65 1.67 0.16 0.00 0.00 -1.09 -0.17 119.26 121.48 2b5x h ALA 86 Ca 0.18 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2b5x h ALA 86 Cb -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.59 2b5x h ALA 86 CO -0.03 0.27 -0.96 0.93 0.00 0.00 0.00 179.25 179.45 2b5x h GLU 87 N 0.73 0.35 0.00 0.00 4.39 -1.25 -3.21 114.58 115.59 2b5x h GLU 87 Ca 0.25 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2b5x h GLU 87 Cb 0.07 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2b5x h GLU 87 CO -0.07 1.28 0.00 0.72 -1.16 0.00 0.00 179.01 179.79 2b5x n HIS 88 N -4.04 0.14 -2.56 4.33 8.25 -0.85 -4.92 115.22 115.57 2b5x n HIS 88 Ca -0.15 0.05 -0.16 0.00 -0.26 0.00 0.00 57.72 57.20 2b5x n HIS 88 Cb 0.88 -0.59 0.01 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.63 -4.84 -4.55 0.41 2.03 -0.17 -4.34 116.55 103.46 2b5x n ASP 89 Ca 0.04 -0.11 -0.36 0.00 0.52 0.00 0.00 54.79 54.87 2b5x n ASP 89 Cb 0.21 -3.84 -0.03 0.00 -0.72 0.00 0.00 41.12 36.73 2b5x n ASP 89 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2b5x s ILE 90 N -2.90 3.39 -0.33 5.18 1.01 -0.64 -4.59 121.20 122.32 2b5x s ILE 90 Ca 0.11 0.09 0.14 0.00 0.00 0.00 0.00 60.65 60.99 2b5x s ILE 90 Cb -0.05 -4.01 -0.19 0.00 0.01 0.00 0.00 42.46 38.23 2b5x s ILE 90 CO 0.14 -0.97 0.45 0.35 0.00 0.00 0.00 174.94 174.91 2b5x n THR 91 N 7.30 0.00 -1.35 2.92 -2.24 -1.26 -4.71 114.28 114.93 2b5x n THR 91 Ca 0.24 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 2b5x n THR 91 Cb 0.51 0.57 0.08 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.67 0.49 -1.70 -0.78 10.64 -1.26 -4.84 117.38 118.25 2b5x n GLN 92 Ca -0.00 0.22 -0.43 0.00 -1.83 0.00 0.00 57.00 54.96 2b5x n GLN 92 Cb 0.30 -2.14 -0.01 0.00 -0.86 0.00 0.00 30.24 27.52 2b5x n GLN 92 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2b5x n PRO 93 N -1.60 2.18 -3.89 2.61 -0.02 -1.26 -4.64 135.00 128.38 2b5x n PRO 93 Ca 0.12 0.77 -0.11 0.00 -2.02 0.00 0.00 63.50 62.26 2b5x n PRO 93 Cb 0.49 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.89 0.05 0.17 4.25 1.01 -0.03 -1.72 121.20 124.04 2b5x s ILE 94 Ca 0.58 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.90 2b5x s ILE 94 Cb -0.57 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2b5x s ILE 94 CO 0.60 -0.22 -0.13 0.72 0.00 0.00 0.00 174.94 175.91 2b5x s PHE 95 N -0.66 1.51 0.04 3.97 -0.71 -0.97 -0.61 117.98 120.54 2b5x s PHE 95 Ca -0.07 -0.62 0.03 0.00 -1.04 0.00 0.00 56.93 55.22 2b5x s PHE 95 Cb -0.05 -0.74 -0.02 0.00 -1.21 0.00 0.00 43.02 41.01 2b5x s PHE 95 CO 0.00 0.22 -0.10 0.08 -1.34 0.00 0.00 175.22 174.08 2b5x s VAL 96 N -2.87 0.76 0.07 -2.49 1.01 0.07 -1.87 120.40 115.08 2b5x s VAL 96 Ca 0.17 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 2b5x s VAL 96 Cb -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2b5x s VAL 96 CO 0.04 -0.17 0.23 -0.62 0.00 0.00 0.00 175.10 174.58 2b5x s ASP 97 N -1.23 0.02 0.21 3.32 2.15 -1.26 -1.22 116.67 118.66 2b5x s ASP 97 Ca -0.04 -0.44 0.25 0.00 0.43 0.00 0.00 52.55 52.75 2b5x s ASP 97 Cb -0.08 0.34 0.90 0.00 -0.30 0.00 0.00 42.92 43.78 2b5x s ASP 97 CO 0.01 -0.66 1.74 -1.20 -0.17 0.00 0.00 175.17 174.89 2b5x n SER 98 N 0.31 0.66 0.00 -0.34 7.64 -1.26 -4.31 113.62 116.32 2b5x n SER 98 Ca -0.17 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2b5x n SER 98 Cb 0.61 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2b5x n SER 98 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2b5x n ASP 99 N -2.17 2.76 -2.81 6.43 2.03 -1.26 -5.11 116.55 116.42 2b5x n ASP 99 Ca 0.04 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.34 2b5x n ASP 99 Cb 0.32 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.71 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 -2.19 -3.18 0.16 -0.67 8.25 -1.26 -4.71 115.22 111.62 2b5x n HIS 100 Ca 0.00 1.49 0.16 0.00 -0.26 0.00 0.00 57.72 59.11 2b5x n HIS 100 Cb 0.34 -3.33 0.76 0.00 1.12 0.00 0.00 29.99 28.88 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 3.38 2.03 0.00 -1.41 0.00 -1.79 0.13 119.26 121.60 2b5x h ALA 101 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2b5x h ALA 101 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2b5x h ALA 101 CO 0.07 -0.33 0.00 1.47 0.00 0.00 0.00 179.25 180.46 2b5x n LEU 102 N -4.11 0.16 0.06 0.00 -0.00 -1.20 -2.04 117.00 109.86 2b5x n LEU 102 Ca 0.03 0.54 0.08 0.00 -0.00 0.00 0.00 56.01 56.66 2b5x n LEU 102 Cb 0.35 -0.51 0.36 0.00 -0.00 0.00 0.00 43.42 43.62 2b5x n LEU 102 CO 0.31 -0.30 0.75 0.35 -0.00 0.00 0.00 177.39 178.51 2b5x n THR 103 N -1.67 1.07 0.20 1.47 -2.24 0.46 0.17 114.28 113.75 2b5x n THR 103 Ca 0.03 0.32 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 2b5x n THR 103 Cb 0.20 -1.19 0.22 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.61 -1.06 116.42 120.75 2b5x h ASP 104 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 2b5x h ASP 104 Cb 0.23 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.23 2b5x h ASP 104 CO 0.00 0.16 -2.10 0.00 -2.88 0.00 0.00 179.24 174.42 2b5x n ALA 105 N -2.15 1.06 -0.02 -0.78 0.00 0.12 -4.68 120.51 114.06 2b5x n ALA 105 Ca 0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 53.44 52.55 2b5x n ALA 105 Cb 0.55 -0.13 -0.13 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 -4.25 0.57 -4.02 0.00 3.01 0.13 -4.64 117.46 108.25 2b5x n PHE 106 Ca -0.46 0.19 -0.27 0.00 1.01 0.00 0.00 57.45 57.92 2b5x n PHE 106 Cb 0.83 -1.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.26 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 -2.80 -2.94 -1.62 -1.08 2.13 -0.40 -4.49 120.64 109.45 2b5x n GLU 107 Ca -0.17 0.36 -0.63 0.00 0.66 0.00 0.00 57.16 57.37 2b5x n GLU 107 Cb 0.94 -4.41 -0.09 0.00 0.27 0.00 0.00 31.44 28.15 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 -2.96 0.76 -0.46 4.31 5.15 -1.26 -4.90 115.26 115.91 2b5x n ASN 108 Ca -0.30 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.83 2b5x n ASN 108 Cb 0.68 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 2b5x n ASN 108 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2b5x n GLU 109 N 3.04 0.00 -3.88 1.20 0.28 -1.26 -5.09 120.64 114.93 2b5x n GLU 109 Ca 0.26 -0.83 -0.09 0.00 -0.16 0.00 0.00 57.16 56.35 2b5x n GLU 109 Cb -0.01 -0.43 -0.07 0.00 1.43 0.00 0.00 31.44 32.35 2b5x n GLU 109 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2b5x s TYR 110 N 0.00 0.19 -0.25 -1.84 -0.85 -1.26 -5.17 117.35 108.16 2b5x s TYR 110 Ca 0.00 -0.63 -0.26 0.00 -0.52 0.00 0.00 57.07 55.66 2b5x s TYR 110 Cb 0.00 -0.09 0.13 0.00 0.38 0.00 0.00 41.96 42.39 2b5x s TYR 110 CO 0.00 -0.54 1.09 0.14 -1.52 0.00 0.00 175.55 174.72 2b5x s VAL 111 N -3.87 0.00 0.47 -3.49 -7.23 -1.26 -4.74 120.40 100.28 2b5x s VAL 111 Ca 0.06 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 60.02 2b5x s VAL 111 Cb 0.05 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 2b5x s VAL 111 CO -0.10 0.00 1.01 -2.16 -0.31 0.00 0.00 175.10 173.54 2b5x s PRO 112 N -0.17 3.92 0.06 4.82 0.04 -1.26 -4.80 135.00 137.60 2b5x s PRO 112 Ca 0.03 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2b5x s PRO 112 Cb -0.04 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2b5x s PRO 112 CO -0.06 -0.32 -0.04 0.00 0.04 0.00 0.00 177.00 176.62 2b5x s ALA 113 N -2.05 0.60 -0.02 8.56 0.00 0.59 -1.05 121.76 128.39 2b5x s ALA 113 Ca 0.66 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2b5x s ALA 113 Cb -0.14 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2b5x s ALA 113 CO 0.18 -0.27 -0.03 0.71 0.00 0.00 0.00 175.76 176.35 2b5x s TYR 114 N -3.28 0.44 -0.05 0.00 2.02 0.10 -0.85 117.35 115.74 2b5x s TYR 114 Ca 0.04 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 2b5x s TYR 114 Cb 0.03 -0.40 0.02 0.00 -0.40 0.00 0.00 41.96 41.21 2b5x s TYR 114 CO -0.06 -0.09 -0.05 0.71 -1.57 0.00 0.00 175.55 174.48 2b5x s TYR 115 N 0.56 0.83 -0.15 2.71 1.51 -0.42 -1.20 117.35 121.18 2b5x s TYR 115 Ca -0.06 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 2b5x s TYR 115 Cb -0.09 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 2b5x s TYR 115 CO -0.01 -0.21 -0.16 0.08 -1.11 0.00 0.00 175.55 174.14 2b5x s VAL 116 N 0.93 2.57 -0.06 0.71 1.01 -0.10 -1.61 120.40 123.86 2b5x s VAL 116 Ca -0.11 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2b5x s VAL 116 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2b5x s VAL 116 CO 0.00 0.52 -0.22 -0.36 0.00 0.00 0.00 175.10 175.04 2b5x s PHE 117 N 0.83 2.18 0.92 5.22 0.40 0.14 -0.35 117.98 127.32 2b5x s PHE 117 Ca -0.05 -0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 55.48 2b5x s PHE 117 Cb -0.15 -1.45 0.15 0.00 0.51 0.00 0.00 43.02 42.08 2b5x s PHE 117 CO -0.01 -0.24 1.10 0.34 0.70 0.00 0.00 175.22 177.12 2b5x s ASP 118 N 0.02 3.05 0.27 1.36 2.15 -0.72 -0.88 116.67 121.93 2b5x s ASP 118 Ca -0.07 1.80 0.12 0.00 0.43 0.00 0.00 52.55 54.84 2b5x s ASP 118 Cb -0.14 -2.40 0.67 0.00 -0.30 0.00 0.00 42.92 40.75 2b5x s ASP 118 CO 0.04 -2.95 1.28 2.29 -0.17 0.00 0.00 175.17 175.66 2b5x n LYS 119 N -4.11 0.08 0.10 4.34 2.85 -1.26 -0.54 118.16 119.62 2b5x n LYS 119 Ca 0.08 0.54 -0.05 0.00 -1.05 0.00 0.00 58.31 57.84 2b5x n LYS 119 Cb 0.54 -2.01 0.04 0.00 -0.65 0.00 0.00 35.03 32.94 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 1.53 0.00 0.58 1.35 -1.90 -0.39 112.91 114.09 2b5x h THR 120 Ca 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 2b5x h THR 120 Cb 0.47 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2b5x h THR 120 CO 0.00 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 2b5x n GLY 121 N 0.73 0.61 3.69 5.82 0.00 0.30 -4.83 105.19 111.51 2b5x n GLY 121 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2b5x n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2b5x s GLN 122 N -0.73 4.39 -0.44 1.61 -2.07 -1.26 -0.81 119.66 120.36 2b5x s GLN 122 Ca 0.00 1.64 -0.27 0.00 -1.82 0.00 0.00 55.36 54.91 2b5x s GLN 122 Cb 0.00 -3.50 -0.06 0.00 -1.09 0.00 0.00 33.01 28.36 2b5x s GLN 122 CO 0.00 -0.36 2.29 -1.17 -1.32 0.00 0.00 175.29 174.73 2b5x s LEU 123 N 1.85 3.41 0.04 2.60 2.96 0.75 -1.75 118.68 128.53 2b5x s LEU 123 Ca 0.55 1.18 -0.15 0.00 -0.22 0.00 0.00 54.13 55.49 2b5x s LEU 123 Cb -0.25 -2.76 -0.33 0.00 0.50 0.00 0.00 46.19 43.36 2b5x s LEU 123 CO 0.23 -2.59 1.05 0.03 -1.32 0.00 0.00 176.35 173.75 2b5x h ARG 124 N 17.92 0.59 -2.78 1.98 2.47 -1.03 0.28 114.38 133.81 2b5x h ARG 124 Ca -0.28 -0.89 0.04 0.00 -1.26 0.00 0.00 59.98 57.58 2b5x h ARG 124 Cb 1.25 0.32 -0.11 0.00 -1.65 0.00 0.00 29.97 29.77 2b5x h ARG 124 CO 1.12 1.42 0.30 -1.58 0.56 0.00 0.00 179.97 181.79 2b5x s HIS 125 N -2.78 -0.41 0.01 3.04 2.46 -1.03 -4.79 115.29 111.79 2b5x s HIS 125 Ca -0.09 0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.61 2b5x s HIS 125 Cb 0.05 0.58 -0.01 0.00 -0.13 0.00 0.00 32.58 33.07 2b5x s HIS 125 CO 0.94 -0.84 -0.02 0.12 -2.47 0.00 0.00 174.74 172.48 2b5x s PHE 126 N -3.59 0.19 0.18 3.88 5.36 -1.26 -0.92 117.98 121.82 2b5x s PHE 126 Ca 0.04 -0.31 -0.06 0.00 -0.96 0.00 0.00 56.93 55.64 2b5x s PHE 126 Cb -0.02 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.51 2b5x s PHE 126 CO -0.08 -0.11 0.23 -0.65 -1.46 0.00 0.00 175.22 173.16 2b5x s GLN 127 N -0.87 1.20 0.03 10.12 -1.52 -0.35 -5.01 119.66 123.26 2b5x s GLN 127 Ca -0.09 -1.37 -0.09 0.00 -1.95 0.00 0.00 55.36 51.86 2b5x s GLN 127 Cb -0.06 0.34 0.00 0.00 -0.22 0.00 0.00 33.01 33.07 2b5x s GLN 127 CO -0.01 -0.43 0.19 0.00 -0.25 0.00 0.00 175.29 174.80 2b5x s ALA 128 N -4.05 -0.38 0.00 6.09 0.00 -1.26 -0.72 121.76 121.44 2b5x s ALA 128 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2b5x s ALA 128 Cb 0.04 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2b5x s ALA 128 CO 0.06 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2b5x n GLY 129 N 0.92 1.27 2.45 0.00 0.00 -0.21 -4.84 105.19 104.78 2b5x n GLY 129 Ca -0.20 0.40 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 2b5x n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b5x n GLY 130 N 0.00 0.19 3.27 -0.02 0.00 -1.26 -2.04 105.19 105.33 2b5x n GLY 130 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2b5x n GLY 130 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b5x n SER 131 N -1.77 -4.23 -0.69 1.61 7.64 -1.26 -1.01 113.62 113.91 2b5x n SER 131 Ca -0.23 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.29 2b5x n SER 131 Cb 0.68 -3.48 0.00 0.00 -1.01 0.00 0.00 64.21 60.41 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 -1.24 0.56 3.68 0.23 0.00 -0.87 -4.35 105.19 103.19 2b5x n GLY 132 Ca -0.04 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2b5x n GLY 132 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2b5x n MET 133 N -0.69 -3.09 -0.11 1.61 0.00 -0.63 -4.63 117.12 109.58 2b5x n MET 133 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 57.70 58.05 2b5x n MET 133 Cb 0.38 -5.08 0.18 0.00 0.00 0.00 0.00 33.22 28.70 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 -1.07 0.80 0.03 3.17 1.63 -1.27 -3.01 116.57 116.85 2b5x h LYS 134 Ca -0.46 -0.19 -0.22 0.00 -0.85 0.00 0.00 60.65 58.93 2b5x h LYS 134 Cb 1.31 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 2b5x h LYS 134 CO 0.61 0.77 -1.01 1.98 -3.45 0.00 0.00 179.45 178.34 2b5x h MET 135 N 0.76 0.12 -0.67 1.90 4.05 -1.90 -3.31 114.93 115.88 2b5x h MET 135 Ca 0.16 -0.18 0.16 0.00 -0.28 0.00 0.00 59.70 59.56 2b5x h MET 135 Cb 0.37 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 2b5x h MET 135 CO 0.01 1.03 0.46 1.25 0.23 0.00 0.00 176.91 179.89 2b5x h LEU 136 N 0.05 0.21 -0.89 3.39 5.85 -1.86 0.22 115.31 122.28 2b5x h LEU 136 Ca -0.05 0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.85 2b5x h LEU 136 Cb 1.72 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.62 2b5x h LEU 136 CO 0.15 0.11 0.47 -0.08 -0.34 0.00 0.00 178.44 178.74 2b5x h GLU 137 N 0.22 0.59 -0.35 1.25 4.81 -1.64 0.28 114.58 119.75 2b5x h GLU 137 Ca 0.33 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 2b5x h GLU 137 Cb 0.96 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2b5x h GLU 137 CO -0.07 0.39 -0.04 0.87 -0.73 0.00 0.00 179.01 179.43 2b5x h LYS 138 N 0.61 0.64 -0.44 1.92 1.79 -1.17 -2.55 116.57 117.37 2b5x h LYS 138 Ca 0.51 -0.23 -0.05 0.00 -2.18 0.00 0.00 60.65 58.70 2b5x h LYS 138 Cb 0.79 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 2b5x h LYS 138 CO -0.40 0.79 0.07 -0.09 -1.08 0.00 0.00 179.45 178.74 2b5x h ARG 139 N 0.44 0.73 -0.53 3.15 9.65 -1.09 -0.26 114.38 126.46 2b5x h ARG 139 Ca 0.09 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2b5x h ARG 139 Cb 0.53 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 2b5x h ARG 139 CO 0.03 0.76 0.34 0.28 2.80 0.00 0.00 179.97 184.17 2b5x h VAL 140 N 0.59 1.15 -0.41 0.20 2.07 -1.04 -0.00 116.25 118.81 2b5x h VAL 140 Ca 0.13 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 2b5x h VAL 140 Cb 0.38 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2b5x h VAL 140 CO 0.01 0.14 -0.07 0.78 0.02 0.00 0.00 177.57 178.45 2b5x h ASN 141 N 0.72 0.68 0.12 0.57 2.35 -1.00 -0.06 115.58 118.96 2b5x h ASN 141 Ca 0.19 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2b5x h ASN 141 Cb -0.06 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 2b5x h ASN 141 CO -0.04 0.80 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.38 2b5x h ARG 142 N 0.65 -0.17 -0.16 0.81 9.65 -0.74 -1.38 114.38 123.03 2b5x h ARG 142 Ca 0.12 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2b5x h ARG 142 Cb 0.51 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 2b5x h ARG 142 CO 0.03 -0.12 0.08 0.28 2.80 0.00 0.00 179.97 183.05 2b5x h VAL 143 N -0.18 1.06 -0.09 0.20 2.07 -0.11 0.15 116.25 119.35 2b5x h VAL 143 Ca -0.01 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2b5x h VAL 143 Cb 0.15 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2b5x h VAL 143 CO 0.01 0.06 0.03 -0.07 0.02 0.00 0.00 177.57 177.63 2b5x h LEU 144 N 0.23 0.12 -1.99 2.57 3.38 -0.82 -2.85 115.31 115.95 2b5x h LEU 144 Ca 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2b5x h LEU 144 Cb 0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2b5x h LEU 144 CO -0.01 0.25 -0.03 0.00 0.09 0.00 0.00 178.44 178.74 2b5x h ALA 145 N 0.87 1.89 0.00 1.53 0.00 0.12 0.12 119.26 123.79 2b5x h ALA 145 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b5x h ALA 145 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2b5x h ALA 145 CO -0.00 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.68 2b5x n GLU 146 N -4.42 0.18 -0.07 0.00 -0.58 0.33 -3.74 120.64 112.35 2b5x n GLU 146 Ca -0.03 0.44 0.01 0.00 -0.42 0.00 0.00 57.16 57.16 2b5x n GLU 146 Cb 0.12 -1.87 0.01 0.00 -0.57 0.00 0.00 31.44 29.13 2b5x n GLU 146 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2b5x n THR 147 N -2.21 0.46 -0.92 2.62 5.66 -0.07 -5.08 114.28 114.74 2b5x n THR 147 Ca 0.02 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 2b5x n THR 147 Cb 0.21 0.68 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 2b5x n THR 147 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23