#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 1.33 0.79 0.03 -2.85 -1.26 -5.16 119.74 112.62 2b5x s LYS 2 Ca 0.00 -1.65 -0.12 0.00 -1.00 0.00 0.00 55.97 53.20 2b5x s LYS 2 Cb 0.00 -0.72 0.07 0.00 -2.06 0.00 0.00 37.83 35.11 2b5x s LYS 2 CO 0.00 -0.04 1.11 -0.51 0.10 0.00 0.00 175.35 176.01 2b5x s LEU 3 N -3.31 2.58 -1.75 2.77 1.43 -1.26 -3.71 118.68 115.43 2b5x s LEU 3 Ca 0.26 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2b5x s LEU 3 Cb 0.05 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2b5x s LEU 3 CO 0.08 -1.92 0.00 0.54 0.23 0.00 0.00 176.35 175.28 2b5x n ARG 4 N -3.39 -1.54 -2.85 1.70 1.74 0.32 -4.96 116.66 107.69 2b5x n ARG 4 Ca 0.07 1.08 -0.36 0.00 -0.77 0.00 0.00 57.85 57.87 2b5x n ARG 4 Cb 0.57 -5.47 -0.06 0.00 -1.02 0.00 0.00 32.46 26.48 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 -3.39 4.47 0.52 5.56 -0.21 -1.24 -4.75 119.66 120.62 2b5x s GLN 5 Ca 0.00 1.20 -0.17 0.00 0.02 0.00 0.00 55.36 56.41 2b5x s GLN 5 Cb 0.00 -2.74 -0.08 0.00 1.00 0.00 0.00 33.01 31.20 2b5x s GLN 5 CO 0.00 0.27 1.00 -1.25 -2.12 0.00 0.00 175.29 173.18 2b5x s PRO 6 N -2.18 3.86 -0.09 2.91 0.04 -1.26 -0.24 135.00 138.04 2b5x s PRO 6 Ca 0.50 1.04 -0.39 0.00 0.04 0.00 0.00 61.00 62.19 2b5x s PRO 6 Cb -0.17 -2.12 -0.17 0.00 0.04 0.00 0.00 34.50 32.08 2b5x s PRO 6 CO 0.22 -0.35 1.42 -1.33 0.04 0.00 0.00 177.00 177.00 2b5x n MET 7 N -1.51 0.80 0.00 4.56 2.81 -0.81 -4.89 117.12 118.07 2b5x n MET 7 Ca 0.07 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 2b5x n MET 7 Cb 0.54 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2b5x n MET 7 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2b5x n PRO 8 N 3.24 3.25 -1.50 0.03 -0.04 -1.26 -4.92 135.00 133.79 2b5x n PRO 8 Ca 0.22 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.28 2b5x n PRO 8 Cb 0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.57 2b5x n PRO 8 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2b5x n GLU 9 N 0.00 3.34 -1.46 0.54 -0.58 -1.26 -4.82 120.64 116.40 2b5x n GLU 9 Ca 0.00 -2.39 -0.43 0.00 -0.42 0.00 0.00 57.16 53.92 2b5x n GLU 9 Cb 0.00 -3.01 -0.03 0.00 -0.57 0.00 0.00 31.44 27.83 2b5x n GLU 9 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2b5x n LEU 10 N 4.68 5.49 -3.64 -4.62 4.77 -1.26 -2.50 117.00 119.92 2b5x n LEU 10 Ca 0.67 -3.53 -0.16 0.00 -0.03 0.00 0.00 56.01 52.96 2b5x n LEU 10 Cb 0.30 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 39.92 2b5x n LEU 10 CO 0.88 0.38 0.24 0.28 -1.33 0.00 0.00 177.39 177.83 2b5x s THR 11 N 4.12 0.02 -3.50 -5.08 -1.32 -1.26 -4.76 115.64 103.87 2b5x s THR 11 Ca 0.52 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 2b5x s THR 11 Cb 0.14 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 2b5x s THR 11 CO 0.01 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 2b5x n GLY 12 N 1.28 -0.96 0.00 6.08 0.00 -1.26 -3.82 105.19 106.51 2b5x n GLY 12 Ca -0.19 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2b5x n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b5x n GLU 13 N 0.00 1.36 -0.15 1.61 2.13 -1.26 -4.98 120.64 119.35 2b5x n GLU 13 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2b5x n GLU 13 Cb 0.00 -0.41 0.04 0.00 0.27 0.00 0.00 31.44 31.34 2b5x n GLU 13 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2b5x h LYS 14 N 0.00 0.08 -2.99 5.31 3.64 -1.84 -3.44 116.57 117.33 2b5x h LYS 14 Ca 0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2b5x h LYS 14 Cb 0.00 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 31.65 2b5x h LYS 14 CO 0.00 0.05 -0.02 0.00 -2.27 0.00 0.00 179.45 177.22 2b5x s ALA 15 N -6.18 -1.17 -0.36 5.00 0.00 -0.34 -4.96 121.76 113.75 2b5x s ALA 15 Ca -0.14 0.37 0.13 0.00 0.00 0.00 0.00 51.96 52.33 2b5x s ALA 15 Cb 0.15 0.47 0.40 0.00 0.00 0.00 0.00 23.12 24.14 2b5x s ALA 15 CO 0.72 -0.54 0.96 -2.67 0.00 0.00 0.00 175.76 174.23 2b5x n TRP 16 N 0.25 -0.16 -1.74 0.00 -0.00 -1.24 -1.00 117.44 113.55 2b5x n TRP 16 Ca -0.18 -2.91 -0.42 0.00 -0.00 0.00 0.00 57.50 54.00 2b5x n TRP 16 Cb 0.61 0.14 -0.02 0.00 -0.00 0.00 0.00 31.31 32.04 2b5x n TRP 16 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2b5x n LEU 17 N 0.01 4.36 0.00 5.67 4.77 0.01 -2.04 117.00 129.78 2b5x n LEU 17 Ca 0.12 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 2b5x n LEU 17 Cb 0.76 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 2b5x n LEU 17 CO 0.17 0.15 0.00 0.59 -1.33 0.00 0.00 177.39 176.97 2b5x n ASN 18 N 2.20 0.00 0.00 -1.43 3.02 -1.26 -0.84 115.26 116.95 2b5x n ASN 18 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2b5x n ASN 18 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.78 3.03 7.41 0.00 -0.87 -4.80 105.19 108.19 2b5x n GLY 19 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 2b5x n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b5x s GLU 20 N -1.61 0.44 0.26 1.61 2.56 -1.26 -3.25 118.70 117.46 2b5x s GLU 20 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 54.97 54.05 2b5x s GLU 20 Cb 0.00 0.16 -0.01 0.00 2.00 0.00 0.00 34.13 36.28 2b5x s GLU 20 CO 0.00 -0.08 0.43 0.08 -0.56 0.00 0.00 175.26 175.13 2b5x s VAL 21 N -2.41 0.00 0.20 3.70 1.01 -1.26 -5.04 120.40 116.60 2b5x s VAL 21 Ca -0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 61.98 60.36 2b5x s VAL 21 Cb -0.03 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2b5x s VAL 21 CO -0.04 0.00 0.17 0.42 0.00 0.00 0.00 175.10 175.65 2b5x s THR 22 N -3.81 0.01 -1.75 3.92 -4.23 -1.26 -4.91 115.64 103.61 2b5x s THR 22 Ca 0.26 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 2b5x s THR 22 Cb 0.00 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.43 2b5x s THR 22 CO 0.12 -0.04 0.20 -2.11 -0.54 0.00 0.00 174.62 172.25 2b5x n ARG 23 N -0.27 0.23 0.00 3.99 1.85 -1.26 -0.71 116.66 120.49 2b5x n ARG 23 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2b5x n ARG 23 Cb 0.65 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.03 2b5x n ARG 23 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2b5x n GLU 24 N -0.28 0.89 0.00 2.89 0.28 -1.26 -4.70 120.64 118.46 2b5x n GLU 24 Ca 0.00 -0.77 0.00 0.00 -0.16 0.00 0.00 57.16 56.23 2b5x n GLU 24 Cb 0.01 -0.74 0.00 0.00 1.43 0.00 0.00 31.44 32.14 2b5x n GLU 24 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2b5x n GLN 25 N -0.17 2.30 0.24 3.44 6.02 -0.51 -4.68 117.38 124.02 2b5x n GLN 25 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2b5x n GLN 25 Cb 0.31 -0.78 0.54 0.00 1.02 0.00 0.00 30.24 31.33 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 -8.75 1.08 3.38 -1.23 -3.47 115.31 106.32 2b5x h LEU 26 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2b5x h LEU 26 Cb 0.47 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.07 2b5x h LEU 26 CO 0.00 0.16 -0.62 0.27 0.09 0.00 0.00 178.44 178.35 2b5x s ILE 27 N -3.72 0.28 0.00 1.22 -4.36 -1.26 -4.69 121.20 108.66 2b5x s ILE 27 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2b5x s ILE 27 Cb 0.10 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 41.25 2b5x s ILE 27 CO 0.61 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.40 2b5x n GLY 28 N -0.37 0.87 2.00 6.27 0.00 -0.34 -4.78 105.19 108.85 2b5x n GLY 28 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.74 0.00 -4.15 1.61 4.07 -1.25 -5.03 120.64 115.15 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 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.26 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 -2.00 0.77 1.20 5.31 1.02 -1.26 -4.92 119.74 119.85 2b5x s LYS 30 Ca 0.00 -0.97 -0.16 0.00 0.02 0.00 0.00 55.97 54.85 2b5x s LYS 30 Cb 0.00 -0.65 0.28 0.00 -0.52 0.00 0.00 37.83 36.95 2b5x s LYS 30 CO 0.00 0.13 1.04 -1.25 -0.92 0.00 0.00 175.35 174.35 2b5x s PRO 31 N -1.99 -1.17 0.03 -1.68 0.04 -1.26 -4.18 135.00 124.78 2b5x s PRO 31 Ca -0.02 0.38 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 2b5x s PRO 31 Cb -0.08 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.87 2b5x s PRO 31 CO 0.01 -3.78 -0.03 0.99 0.04 0.00 0.00 177.00 174.24 2b5x s THR 32 N -2.66 0.14 -0.12 1.26 2.01 -0.36 -0.61 115.64 115.31 2b5x s THR 32 Ca 0.68 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 61.56 2b5x s THR 32 Cb -0.17 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.73 2b5x s THR 32 CO 0.60 -0.64 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.46 2b5x s LEU 33 N -1.86 2.01 -0.08 4.42 1.98 0.14 -0.81 118.68 124.47 2b5x s LEU 33 Ca -0.10 -0.54 0.04 0.00 -2.89 0.00 0.00 54.13 50.64 2b5x s LEU 33 Cb -0.05 -1.33 -0.01 0.00 0.66 0.00 0.00 46.19 45.45 2b5x s LEU 33 CO -0.03 0.10 -0.21 -0.63 -1.89 0.00 0.00 176.35 173.68 2b5x s ILE 34 N 0.65 2.40 0.12 6.68 1.01 -0.51 -1.73 121.20 129.83 2b5x s ILE 34 Ca -0.12 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.65 2b5x s ILE 34 Cb -0.16 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2b5x s ILE 34 CO 0.03 0.56 -0.10 -1.38 0.00 0.00 0.00 174.94 174.05 2b5x s HIS 35 N -0.02 1.18 -0.10 3.97 -3.43 -0.92 -0.82 115.29 115.15 2b5x s HIS 35 Ca -0.06 -0.72 0.03 0.00 -0.80 0.00 0.00 55.06 53.50 2b5x s HIS 35 Cb -0.15 -0.62 0.01 0.00 -1.43 0.00 0.00 32.58 30.39 2b5x s HIS 35 CO 0.05 0.04 -0.19 -0.06 -2.00 0.00 0.00 174.74 172.58 2b5x s PHE 36 N -2.98 2.20 0.20 0.38 0.40 0.71 -0.28 117.98 118.61 2b5x s PHE 36 Ca 0.12 -0.96 -0.18 0.00 -0.60 0.00 0.00 56.93 55.31 2b5x s PHE 36 Cb 0.00 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 42.04 2b5x s PHE 36 CO 0.00 -0.44 0.54 1.67 0.70 0.00 0.00 175.22 177.69 2b5x s TRP 37 N 0.65 -0.11 -0.01 0.36 1.48 -1.05 -0.74 118.94 119.52 2b5x s TRP 37 Ca -0.13 -0.24 -0.00 0.00 -1.06 0.00 0.00 56.10 54.67 2b5x s TRP 37 Cb -0.16 0.41 0.01 0.00 -1.16 0.00 0.00 33.47 32.57 2b5x s TRP 37 CO 0.03 -0.94 0.02 -1.12 -4.06 0.00 0.00 176.95 170.88 2b5x s SER 38 N -2.88 0.03 0.00 -2.66 0.01 -1.26 -0.45 113.70 106.49 2b5x s SER 38 Ca 0.10 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2b5x s SER 38 Cb -0.01 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2b5x s SER 38 CO -0.02 -0.06 0.42 2.30 0.41 0.00 0.00 173.24 176.29 2b5x n ILE 39 N 3.63 0.00 -0.15 1.44 -5.35 -1.26 -3.30 119.36 114.37 2b5x n ILE 39 Ca -0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2b5x n ILE 39 Cb 0.55 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 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 -0.13 1.52 -4.09 7.28 3.41 -1.26 -4.90 113.62 115.45 2b5x n SER 40 Ca 0.00 -1.67 -0.25 0.00 -0.26 0.00 0.00 58.87 56.69 2b5x n SER 40 Cb 0.07 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 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 6.40 1.25 -0.23 0.00 -0.00 -1.95 -1.47 115.15 119.14 2b5x h HIS 42 Ca -0.32 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 59.99 2b5x h HIS 42 Cb 1.18 -0.42 -0.01 0.00 -0.00 0.00 0.00 27.41 28.15 2b5x h HIS 42 CO 0.45 0.79 -0.21 -0.07 -0.00 0.00 0.00 177.93 178.89 2b5x h LEU 43 N 1.33 0.40 -0.71 2.43 4.07 -1.96 -0.91 115.31 119.97 2b5x h LEU 43 Ca 0.36 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 2b5x h LEU 43 Cb -0.14 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 2b5x h LEU 43 CO -0.08 0.62 0.27 0.00 -1.08 0.00 0.00 178.44 178.18 2b5x h LYS 45 N 1.02 0.00 0.10 0.00 1.79 -0.38 0.20 116.57 119.30 2b5x h LYS 45 Ca 0.23 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.35 2b5x h LYS 45 Cb 0.23 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2b5x h LYS 45 CO -0.02 0.03 -1.93 0.39 -1.08 0.00 0.00 179.45 176.84 2b5x n GLU 46 N -3.26 0.73 -0.12 3.15 -0.58 -0.90 -4.01 120.64 115.64 2b5x n GLU 46 Ca -0.02 0.30 0.01 0.00 -0.42 0.00 0.00 57.16 57.04 2b5x n GLU 46 Cb 0.17 -1.70 0.30 0.00 -0.57 0.00 0.00 31.44 29.64 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 -0.03 1.51 0.09 0.62 0.00 -0.83 -2.99 119.26 117.64 2b5x h ALA 47 Ca -0.43 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2b5x h ALA 47 Cb 1.92 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 2b5x h ALA 47 CO 0.03 0.42 -0.38 0.52 0.00 0.00 0.00 179.25 179.84 2b5x h MET 48 N 0.81 -0.57 -0.68 0.00 2.86 -0.74 0.41 114.93 117.02 2b5x h MET 48 Ca 0.21 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2b5x h MET 48 Cb -0.03 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2b5x h MET 48 CO -0.04 -0.38 0.35 -1.00 1.06 0.00 0.00 176.91 176.90 2b5x h PRO 49 N -0.60 0.95 -0.04 -0.22 0.13 -1.73 -2.47 132.00 128.02 2b5x h PRO 49 Ca 0.03 -0.11 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 2b5x h PRO 49 Cb 0.64 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 2b5x h PRO 49 CO -0.24 0.71 -0.47 0.37 -0.23 0.00 0.00 178.00 178.14 2b5x h GLN 50 N 0.95 0.10 -0.66 0.86 -0.00 -1.05 -1.39 115.11 113.93 2b5x h GLN 50 Ca 0.24 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.85 2b5x h GLN 50 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.50 2b5x h GLN 50 CO -0.04 0.55 0.43 0.28 0.00 0.00 0.00 178.83 180.06 2b5x h VAL 51 N 0.08 1.17 -0.18 2.39 2.07 0.08 0.14 116.25 122.00 2b5x h VAL 51 Ca 0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2b5x h VAL 51 Cb 0.86 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2b5x h VAL 51 CO 0.07 0.16 0.11 -1.13 0.02 0.00 0.00 177.57 176.80 2b5x h ASN 52 N 0.89 0.22 0.66 0.57 -1.24 -0.81 0.90 115.58 116.77 2b5x h ASN 52 Ca 0.24 -0.05 -0.20 0.00 0.71 0.00 0.00 56.30 57.00 2b5x h ASN 52 Cb -0.10 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 2b5x h ASN 52 CO -0.05 0.21 -0.92 1.05 -1.29 0.00 0.00 177.43 176.43 2b5x h GLU 53 N 0.22 0.16 -0.53 6.67 4.11 -1.17 -2.62 114.58 121.41 2b5x h GLU 53 Ca 0.07 -0.19 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 2b5x h GLU 53 Cb 0.03 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2b5x h GLU 53 CO -0.01 0.97 0.30 0.35 0.07 0.00 0.00 179.01 180.69 2b5x h PHE 54 N 0.08 0.71 -0.37 2.06 3.57 -0.65 0.96 116.94 123.30 2b5x h PHE 54 Ca -0.04 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.51 2b5x h PHE 54 Cb 1.57 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 40.03 2b5x h PHE 54 CO 0.03 0.51 0.03 -0.09 -2.23 0.00 0.00 178.31 176.55 2b5x h ARG 55 N 0.71 0.13 -0.24 1.11 1.12 -0.72 -2.11 114.38 114.38 2b5x h ARG 55 Ca 0.19 -0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 58.89 2b5x h ARG 55 Cb 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 2b5x h ARG 55 CO -0.03 0.09 -0.48 0.22 -3.11 0.00 0.00 179.97 176.66 2b5x h ASP 56 N 0.14 0.83 -0.10 -3.80 3.58 -1.02 -0.88 116.42 115.17 2b5x h ASP 56 Ca 0.18 -0.54 -0.01 0.00 0.42 0.00 0.00 57.03 57.08 2b5x h ASP 56 Cb 0.24 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2b5x h ASP 56 CO -0.28 1.22 0.05 0.11 -2.88 0.00 0.00 179.24 177.46 2b5x h LYS 57 N 0.47 0.18 0.00 0.28 1.57 -0.55 -3.29 116.57 115.23 2b5x h LYS 57 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2b5x h LYS 57 Cb 1.08 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2b5x h LYS 57 CO 0.11 0.15 0.00 0.66 -0.57 0.00 0.00 179.45 179.80 2b5x n TYR 58 N -4.48 0.00 0.12 -1.35 4.01 -0.82 -4.82 117.16 109.83 2b5x n TYR 58 Ca -0.01 -0.03 0.07 0.00 -0.16 0.00 0.00 57.90 57.76 2b5x n TYR 58 Cb 0.11 -0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.50 2b5x n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b5x n GLN 59 N -0.03 0.09 -0.13 -0.72 -0.00 -0.34 -0.97 117.38 115.27 2b5x n GLN 59 Ca 0.00 0.56 0.06 0.00 -0.00 0.00 0.00 57.00 57.62 2b5x n GLN 59 Cb 0.11 -1.90 0.13 0.00 -0.00 0.00 0.00 30.24 28.58 2b5x n GLN 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2b5x n ASP 60 N -1.97 2.70 0.00 2.61 2.03 -1.26 -4.62 116.55 116.04 2b5x n ASP 60 Ca -0.01 -1.84 0.00 0.00 0.52 0.00 0.00 54.79 53.47 2b5x n ASP 60 Cb 0.14 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.66 2.76 -3.66 -0.67 3.00 -0.22 -5.10 117.38 114.14 2b5x n GLN 61 Ca 0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.95 2b5x n GLN 61 Cb 0.40 -0.62 -0.07 0.00 0.00 0.00 0.00 30.24 29.95 2b5x n GLN 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2b5x s LEU 62 N -1.22 0.28 0.15 1.08 0.20 -0.15 -4.28 118.68 114.74 2b5x s LEU 62 Ca 0.00 0.27 -0.17 0.00 0.69 0.00 0.00 54.13 54.92 2b5x s LEU 62 Cb 0.00 1.77 -0.07 0.00 -0.43 0.00 0.00 46.19 47.46 2b5x s LEU 62 CO 0.00 -0.54 0.61 0.20 -0.29 0.00 0.00 176.35 176.33 2b5x s ASN 63 N -1.42 6.97 -0.10 3.68 0.01 0.23 -4.16 114.94 120.14 2b5x s ASN 63 Ca -0.11 1.24 0.02 0.00 -0.71 0.00 0.00 52.86 53.30 2b5x s ASN 63 Cb -0.03 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.30 2b5x s ASN 63 CO 0.05 0.13 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.93 2b5x s VAL 64 N -1.38 1.41 0.09 1.60 1.01 -1.26 -0.69 120.40 121.18 2b5x s VAL 64 Ca 0.37 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 2b5x s VAL 64 Cb -0.17 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 34.94 2b5x s VAL 64 CO 0.20 0.42 0.36 0.54 0.00 0.00 0.00 175.10 176.62 2b5x s VAL 65 N 0.96 0.08 0.16 2.92 0.11 -0.71 -4.13 120.40 119.79 2b5x s VAL 65 Ca -0.08 -0.65 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 2b5x s VAL 65 Cb -0.15 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2b5x s VAL 65 CO -0.01 -0.36 0.05 0.00 -3.33 0.00 0.00 175.10 171.45 2b5x s ALA 66 N -3.28 1.07 -0.18 1.54 0.00 -0.92 -2.17 121.76 117.82 2b5x s ALA 66 Ca -0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.39 2b5x s ALA 66 Cb 0.01 0.83 0.05 0.00 0.00 0.00 0.00 23.12 24.02 2b5x s ALA 66 CO -0.08 -0.45 0.03 0.08 0.00 0.00 0.00 175.76 175.34 2b5x s VAL 67 N -3.93 0.53 0.16 0.00 1.01 0.62 -1.06 120.40 117.73 2b5x s VAL 67 Ca 0.26 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 2b5x s VAL 67 Cb 0.07 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 2b5x s VAL 67 CO 0.04 -0.13 1.16 -2.28 0.00 0.00 0.00 175.10 173.89 2b5x s HIS 68 N 1.86 3.49 -0.52 5.22 2.46 -0.21 -2.54 115.29 125.04 2b5x s HIS 68 Ca -0.00 1.46 -0.17 0.00 0.47 0.00 0.00 55.06 56.82 2b5x s HIS 68 Cb -0.16 -3.37 0.09 0.00 -0.13 0.00 0.00 32.58 29.01 2b5x s HIS 68 CO -0.08 -1.00 0.53 1.41 -2.47 0.00 0.00 174.74 173.14 2b5x s MET 69 N -0.04 3.02 0.14 2.88 1.75 0.41 -4.75 119.30 122.71 2b5x s MET 69 Ca 0.53 -1.37 -0.31 0.00 -1.25 0.00 0.00 55.69 53.28 2b5x s MET 69 Cb -0.31 -4.21 -0.10 0.00 2.84 0.00 0.00 34.83 33.06 2b5x s MET 69 CO 0.35 -1.26 1.66 -1.25 -0.65 0.00 0.00 175.02 173.86 2b5x s PRO 70 N 2.03 4.18 0.00 4.11 0.04 -1.26 -4.54 135.00 139.56 2b5x s PRO 70 Ca 0.07 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2b5x s PRO 70 Cb -0.25 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2b5x s PRO 70 CO 0.06 -0.71 0.00 -2.13 0.04 0.00 0.00 177.00 174.27 2b5x n ARG 71 N 4.73 0.01 -3.94 4.56 0.63 -1.26 -5.04 116.66 116.35 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 0.38 -0.51 -0.07 0.00 0.45 0.00 0.00 32.46 32.71 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 -2.33 0.11 0.55 6.15 0.01 -1.26 -5.04 113.70 111.89 2b5x s SER 72 Ca 0.00 -0.82 0.24 0.00 1.31 0.00 0.00 55.95 56.67 2b5x s SER 72 Cb 0.00 0.38 1.47 0.00 0.21 0.00 0.00 66.02 68.08 2b5x s SER 72 CO 0.00 -0.80 2.10 -0.08 0.41 0.00 0.00 173.24 174.87 2b5x h GLU 73 N 2.67 0.00 0.00 12.44 4.81 -2.00 -0.29 114.58 132.21 2b5x h GLU 73 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2b5x h GLU 73 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2b5x h GLU 73 CO 0.53 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 179.03 2b5x h ASP 74 N 0.00 0.00 0.00 1.04 3.58 -1.98 -3.25 116.42 115.81 2b5x h ASP 74 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2b5x h ASP 74 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2b5x h ASP 74 CO -0.00 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 175.46 2b5x n ASP 75 N -2.62 0.17 0.00 2.28 5.68 -0.31 -4.84 116.55 116.91 2b5x n ASP 75 Ca -0.01 -0.90 0.10 0.00 -0.50 0.00 0.00 54.79 53.49 2b5x n ASP 75 Cb 0.14 0.02 0.60 0.00 -1.14 0.00 0.00 41.12 40.74 2b5x n ASP 75 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2b5x n LEU 76 N -0.02 0.00 -4.03 -2.12 4.77 -0.27 -4.73 117.00 110.60 2b5x n LEU 76 Ca 0.00 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2b5x n LEU 76 Cb 0.18 -0.01 -0.17 0.00 -2.33 0.00 0.00 43.42 41.10 2b5x n LEU 76 CO 0.00 -0.00 -0.47 -0.62 -1.33 0.00 0.00 177.39 174.97 2b5x s ASP 77 N -2.01 1.89 0.31 -1.43 -1.08 -1.26 -5.04 116.67 108.04 2b5x s ASP 77 Ca 0.30 -0.32 0.25 0.00 -0.52 0.00 0.00 52.55 52.27 2b5x s ASP 77 Cb 0.14 -0.86 1.05 0.00 -1.46 0.00 0.00 42.92 41.79 2b5x s ASP 77 CO 0.24 0.03 1.76 1.55 0.52 0.00 0.00 175.17 179.27 2b5x h PRO 78 N 7.06 0.00 0.03 4.34 0.13 -1.94 -2.28 132.00 139.34 2b5x h PRO 78 Ca -0.30 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.60 2b5x h PRO 78 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2b5x h PRO 78 CO 0.47 0.00 -1.00 0.78 -0.23 0.00 0.00 178.00 178.02 2b5x h GLY 79 N 2.26 0.38 0.90 1.56 0.00 -1.97 0.11 103.07 106.31 2b5x h GLY 79 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 2b5x h GLY 79 CO 0.00 0.64 0.03 0.50 0.00 0.00 0.00 176.54 177.71 2b5x h LYS 80 N 0.17 0.55 0.31 4.80 1.57 -1.81 -0.69 116.57 121.47 2b5x h LYS 80 Ca -0.09 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2b5x h LYS 80 Cb 1.66 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.91 2b5x h LYS 80 CO 0.17 0.66 -0.17 0.82 -0.57 0.00 0.00 179.45 180.36 2b5x h ILE 81 N 0.36 0.66 -0.28 1.86 2.04 -1.41 -1.13 117.51 119.62 2b5x h ILE 81 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 2b5x h ILE 81 Cb 0.40 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 2b5x h ILE 81 CO 0.01 0.00 -0.21 0.50 0.00 0.00 0.00 178.15 178.45 2b5x h LYS 82 N -0.45 -0.18 -0.87 2.37 1.63 -0.92 0.91 116.57 119.07 2b5x h LYS 82 Ca -0.04 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2b5x h LYS 82 Cb 0.35 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.98 2b5x h LYS 82 CO 0.05 -0.12 0.51 1.49 -3.45 0.00 0.00 179.45 177.94 2b5x h GLU 83 N -0.19 1.18 0.16 1.90 4.81 -0.91 -0.10 114.58 121.43 2b5x h GLU 83 Ca 0.15 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2b5x h GLU 83 Cb 0.42 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2b5x h GLU 83 CO -0.39 0.83 -0.07 1.15 -0.73 0.00 0.00 179.01 179.80 2b5x h THR 84 N 1.20 0.98 -0.66 0.32 2.02 -0.81 -3.18 112.91 112.78 2b5x h THR 84 Ca 0.31 -0.91 0.09 0.00 0.77 0.00 0.00 66.41 66.67 2b5x h THR 84 Cb -0.04 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 2b5x h THR 84 CO -0.06 0.20 0.30 0.00 0.37 0.00 0.00 175.52 176.33 2b5x h ALA 85 N 0.04 0.90 -0.61 6.16 0.00 -0.62 -1.24 119.26 123.89 2b5x h ALA 85 Ca -0.02 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2b5x h ALA 85 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2b5x h ALA 85 CO 0.04 -0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.58 2b5x h ALA 86 N 1.43 2.22 0.09 0.00 0.00 -1.05 -2.12 119.26 119.83 2b5x h ALA 86 Ca 0.33 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.92 2b5x h ALA 86 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2b5x h ALA 86 CO -0.29 -0.38 -1.66 0.93 0.00 0.00 0.00 179.25 177.85 2b5x h GLU 87 N 0.25 0.19 0.00 0.00 4.39 -1.24 -3.26 114.58 114.91 2b5x h GLU 87 Ca 0.29 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2b5x h GLU 87 Cb 0.79 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2b5x h GLU 87 CO -0.06 0.99 0.00 0.72 -1.16 0.00 0.00 179.01 179.50 2b5x n HIS 88 N -3.36 0.00 -0.94 4.33 8.25 -0.72 -4.89 115.22 117.90 2b5x n HIS 88 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2b5x n HIS 88 Cb 1.04 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.54 -4.69 0.41 2.03 -0.86 -4.54 116.55 106.94 2b5x n ASP 89 Ca 0.04 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.93 2b5x n ASP 89 Cb 0.13 -0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 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 -3.28 3.06 -0.17 5.18 -4.36 -1.22 -4.88 121.20 115.53 2b5x s ILE 90 Ca 0.00 0.50 0.01 0.00 -0.26 0.00 0.00 60.65 60.90 2b5x s ILE 90 Cb 0.00 -3.32 0.01 0.00 1.25 0.00 0.00 42.46 40.40 2b5x s ILE 90 CO 0.00 -0.00 0.52 0.35 0.24 0.00 0.00 174.94 176.05 2b5x n THR 91 N 4.74 0.00 -1.30 8.37 -2.24 -1.26 -4.71 114.28 117.88 2b5x n THR 91 Ca 0.16 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 61.08 2b5x n THR 91 Cb 0.41 1.03 0.09 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.02 0.42 -1.89 -0.78 10.64 -1.26 -4.85 117.38 119.68 2b5x n GLN 92 Ca 0.01 0.20 -0.40 0.00 -1.83 0.00 0.00 57.00 54.97 2b5x n GLN 92 Cb 0.03 -2.13 -0.00 0.00 -0.86 0.00 0.00 30.24 27.29 2b5x n GLN 92 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2b5x s PRO 93 N -3.24 4.03 -0.17 2.61 0.04 -1.26 -4.64 135.00 132.38 2b5x s PRO 93 Ca 0.71 2.42 -0.04 0.00 0.04 0.00 0.00 61.00 64.13 2b5x s PRO 93 Cb -0.34 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 31.37 2b5x s PRO 93 CO 0.53 -0.53 0.06 0.42 0.04 0.00 0.00 177.00 177.51 2b5x s ILE 94 N -1.16 0.21 -0.06 0.56 1.01 -0.02 -2.17 121.20 119.57 2b5x s ILE 94 Ca 0.55 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 2b5x s ILE 94 Cb -0.44 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2b5x s ILE 94 CO 0.58 -0.19 0.21 0.12 0.00 0.00 0.00 174.94 175.66 2b5x s PHE 95 N 2.01 3.60 -0.00 3.97 5.36 -0.22 -0.81 117.98 131.88 2b5x s PHE 95 Ca 0.01 0.56 -0.02 0.00 -0.96 0.00 0.00 56.93 56.52 2b5x s PHE 95 Cb -0.16 -1.97 -0.00 0.00 -0.34 0.00 0.00 43.02 40.55 2b5x s PHE 95 CO -0.08 0.69 0.04 0.08 -1.46 0.00 0.00 175.22 174.49 2b5x s VAL 96 N -1.15 0.06 0.04 3.12 1.01 -0.17 -1.05 120.40 122.26 2b5x s VAL 96 Ca 0.21 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 2b5x s VAL 96 Cb -0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2b5x s VAL 96 CO 0.10 -0.26 0.13 -0.62 0.00 0.00 0.00 175.10 174.46 2b5x s ASP 97 N -0.80 0.12 0.56 3.32 2.15 -1.26 -1.20 116.67 119.56 2b5x s ASP 97 Ca -0.09 -0.46 0.34 0.00 0.43 0.00 0.00 52.55 52.77 2b5x s ASP 97 Cb -0.05 0.25 1.50 0.00 -0.30 0.00 0.00 42.92 44.31 2b5x s ASP 97 CO 0.00 -0.52 2.04 0.28 -0.17 0.00 0.00 175.17 176.80 2b5x h SER 98 N 3.61 0.00 0.00 -0.34 0.02 -1.96 -3.37 113.55 111.52 2b5x h SER 98 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2b5x h SER 98 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2b5x h SER 98 CO 0.49 0.03 -0.67 -0.67 -1.14 0.00 0.00 176.83 174.87 2b5x n ASP 99 N -3.15 2.87 -2.91 3.07 2.03 -1.26 -5.11 116.55 112.08 2b5x n ASP 99 Ca -0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 2b5x n ASP 99 Cb 0.28 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.99 -2.87 0.09 -0.67 8.25 -1.26 -4.73 115.22 112.05 2b5x n HIS 100 Ca 0.00 1.24 0.19 0.00 -0.26 0.00 0.00 57.72 58.90 2b5x n HIS 100 Cb 0.34 -3.14 0.74 0.00 1.12 0.00 0.00 29.99 29.05 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 2.97 2.19 0.00 -1.41 0.00 -1.77 0.12 119.26 121.37 2b5x h ALA 101 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2b5x h ALA 101 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2b5x h ALA 101 CO 0.10 -0.54 0.00 1.47 0.00 0.00 0.00 179.25 180.28 2b5x n LEU 102 N -4.03 0.51 0.14 0.00 -0.00 -1.04 -2.03 117.00 110.55 2b5x n LEU 102 Ca 0.06 0.63 0.11 0.00 -0.00 0.00 0.00 56.01 56.82 2b5x n LEU 102 Cb 0.52 -0.57 0.53 0.00 -0.00 0.00 0.00 43.42 43.90 2b5x n LEU 102 CO 0.32 -0.50 0.84 0.35 -0.00 0.00 0.00 177.39 178.39 2b5x n THR 103 N -2.07 0.92 0.20 1.47 -2.24 0.43 0.00 114.28 113.00 2b5x n THR 103 Ca 0.02 0.44 0.08 0.00 -2.27 0.00 0.00 64.05 62.32 2b5x n THR 103 Cb 0.21 -1.40 0.30 0.00 -2.10 0.00 0.00 70.33 67.33 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 0.02 3.42 3.58 -1.60 -0.74 116.42 121.10 2b5x h ASP 104 Ca 0.00 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 2b5x h ASP 104 Cb 0.21 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 2b5x h ASP 104 CO 0.00 0.28 -2.01 0.00 -2.88 0.00 0.00 179.24 174.62 2b5x n ALA 105 N -2.21 1.04 -0.04 -0.78 0.00 0.13 -4.64 120.51 114.02 2b5x n ALA 105 Ca 0.01 -0.82 -0.07 0.00 0.00 0.00 0.00 53.44 52.56 2b5x n ALA 105 Cb 0.53 -0.26 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 -4.07 0.69 -4.13 0.00 3.01 0.10 -4.58 117.46 108.48 2b5x n PHE 106 Ca -0.42 0.25 -0.31 0.00 1.01 0.00 0.00 57.45 57.97 2b5x n PHE 106 Cb 0.85 -1.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.19 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 -2.92 -2.88 -1.70 -1.08 2.13 -0.28 -4.39 120.64 109.51 2b5x n GLU 107 Ca -0.20 0.35 -0.60 0.00 0.66 0.00 0.00 57.16 57.37 2b5x n GLU 107 Cb 1.04 -4.66 -0.08 0.00 0.27 0.00 0.00 31.44 28.01 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 -2.82 1.94 -2.71 4.31 2.85 -1.26 -4.87 115.26 112.69 2b5x n ASN 108 Ca -0.14 1.11 -0.02 0.00 -0.11 0.00 0.00 54.58 55.42 2b5x n ASN 108 Cb 0.60 -1.07 0.11 0.00 1.24 0.00 0.00 39.78 40.65 2b5x n ASN 108 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2b5x n GLU 109 N 4.62 1.44 -3.75 1.20 0.00 -1.26 -5.08 120.64 117.80 2b5x n GLU 109 Ca 0.27 -1.83 -0.14 0.00 0.00 0.00 0.00 57.16 55.46 2b5x n GLU 109 Cb 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 31.44 31.33 2b5x n GLU 109 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2b5x s TYR 110 N -0.85 -0.21 -0.25 4.31 -0.85 -1.26 -5.18 117.35 113.05 2b5x s TYR 110 Ca 0.14 0.33 -0.26 0.00 -0.52 0.00 0.00 57.07 56.76 2b5x s TYR 110 Cb 0.42 0.12 0.13 0.00 0.38 0.00 0.00 41.96 43.00 2b5x s TYR 110 CO -0.10 -0.40 1.05 0.54 -1.52 0.00 0.00 175.55 175.12 2b5x s VAL 111 N -1.29 0.00 0.62 -3.49 0.11 -1.26 -4.67 120.40 110.42 2b5x s VAL 111 Ca -0.13 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.76 2b5x s VAL 111 Cb -0.05 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 2b5x s VAL 111 CO 0.05 0.00 1.10 -2.16 -3.33 0.00 0.00 175.10 170.76 2b5x s PRO 112 N -0.15 3.01 0.09 1.54 0.04 -1.26 -4.75 135.00 133.53 2b5x s PRO 112 Ca 0.02 1.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 2b5x s PRO 112 Cb -0.04 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2b5x s PRO 112 CO -0.05 -1.08 0.12 0.00 0.04 0.00 0.00 177.00 176.03 2b5x s ALA 113 N -2.27 0.14 -0.01 8.56 0.00 0.08 -0.73 121.76 127.51 2b5x s ALA 113 Ca 0.67 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 2b5x s ALA 113 Cb -0.20 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2b5x s ALA 113 CO 0.38 -0.48 0.09 0.71 0.00 0.00 0.00 175.76 176.45 2b5x s TYR 114 N -3.91 0.01 -0.04 0.00 1.51 -0.05 -0.21 117.35 114.66 2b5x s TYR 114 Ca 0.09 -0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.12 2b5x s TYR 114 Cb 0.06 -0.03 0.02 0.00 -0.11 0.00 0.00 41.96 41.89 2b5x s TYR 114 CO -0.08 -0.15 0.09 0.71 -1.11 0.00 0.00 175.55 175.01 2b5x s TYR 115 N -0.69 -0.09 -0.06 2.71 1.51 0.00 -1.50 117.35 119.24 2b5x s TYR 115 Ca -0.08 0.27 0.04 0.00 -1.01 0.00 0.00 57.07 56.28 2b5x s TYR 115 Cb -0.05 -0.03 0.00 0.00 -0.11 0.00 0.00 41.96 41.77 2b5x s TYR 115 CO 0.00 -0.08 -0.17 0.08 -1.11 0.00 0.00 175.55 174.28 2b5x s VAL 116 N 0.44 1.47 -0.01 0.71 1.01 -0.03 -1.42 120.40 122.58 2b5x s VAL 116 Ca -0.03 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2b5x s VAL 116 Cb -0.05 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2b5x s VAL 116 CO -0.02 0.43 -0.13 -0.36 0.00 0.00 0.00 175.10 175.02 2b5x s PHE 117 N 0.30 1.18 0.74 5.22 0.40 0.01 -0.31 117.98 125.51 2b5x s PHE 117 Ca -0.10 -0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 2b5x s PHE 117 Cb -0.14 -0.75 0.04 0.00 0.51 0.00 0.00 43.02 42.68 2b5x s PHE 117 CO 0.04 -0.01 1.17 0.34 0.70 0.00 0.00 175.22 177.46 2b5x s ASP 118 N -0.39 4.29 0.15 1.36 2.15 -0.21 -1.22 116.67 122.79 2b5x s ASP 118 Ca 0.05 2.23 0.07 0.00 0.43 0.00 0.00 52.55 55.33 2b5x s ASP 118 Cb -0.05 -2.57 0.40 0.00 -0.30 0.00 0.00 42.92 40.40 2b5x s ASP 118 CO -0.00 -2.20 1.13 2.29 -0.17 0.00 0.00 175.17 176.22 2b5x n LYS 119 N -2.85 0.05 0.09 4.34 -0.00 -1.26 -0.70 118.16 117.82 2b5x n LYS 119 Ca 0.12 0.48 -0.05 0.00 -0.00 0.00 0.00 58.31 58.86 2b5x n LYS 119 Cb 0.51 -1.81 -0.02 0.00 -0.00 0.00 0.00 35.03 33.71 2b5x n LYS 119 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2b5x h THR 120 N 0.00 1.61 0.00 0.58 1.35 -1.90 -0.89 112.91 113.65 2b5x h THR 120 Ca 0.00 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 2b5x h THR 120 Cb 0.30 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2b5x h THR 120 CO 0.00 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 2b5x n GLY 121 N 0.98 0.70 3.63 5.82 0.00 0.12 -4.80 105.19 111.64 2b5x n GLY 121 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.60 3.88 -0.09 1.61 -1.52 -1.25 -1.93 119.66 119.77 2b5x s GLN 122 Ca 0.00 1.60 -0.34 0.00 -1.95 0.00 0.00 55.36 54.66 2b5x s GLN 122 Cb 0.00 -3.97 -0.12 0.00 -0.22 0.00 0.00 33.01 28.70 2b5x s GLN 122 CO 0.00 -1.18 1.86 -0.11 -0.25 0.00 0.00 175.29 175.62 2b5x n LEU 123 N 8.01 3.40 -0.06 2.90 7.94 0.67 -1.04 117.00 138.82 2b5x n LEU 123 Ca 0.17 0.98 -0.07 0.00 -1.11 0.00 0.00 56.01 55.99 2b5x n LEU 123 Cb 0.45 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 42.97 2b5x n LEU 123 CO 0.63 -0.08 -0.87 -1.14 -1.11 0.00 0.00 177.39 174.83 2b5x n ARG 124 N 6.46 1.56 -3.56 1.96 3.00 0.57 -0.52 116.66 126.13 2b5x n ARG 124 Ca 0.23 0.03 -0.10 0.00 -0.00 0.00 0.00 57.85 58.00 2b5x n ARG 124 Cb 0.29 -1.26 -0.02 0.00 0.00 0.00 0.00 32.46 31.47 2b5x n ARG 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2b5x s HIS 125 N -2.25 -0.40 0.01 -0.14 2.46 -0.79 -4.92 115.29 109.26 2b5x s HIS 125 Ca -0.10 0.14 -0.09 0.00 0.47 0.00 0.00 55.06 55.48 2b5x s HIS 125 Cb 0.04 0.60 0.00 0.00 -0.13 0.00 0.00 32.58 33.09 2b5x s HIS 125 CO 0.37 -0.89 0.17 0.12 -2.47 0.00 0.00 174.74 172.05 2b5x s PHE 126 N -3.66 0.03 0.14 3.88 5.36 -1.26 -0.85 117.98 121.62 2b5x s PHE 126 Ca 0.05 -0.14 -0.07 0.00 -0.96 0.00 0.00 56.93 55.81 2b5x s PHE 126 Cb -0.02 -0.03 -0.02 0.00 -0.34 0.00 0.00 43.02 42.61 2b5x s PHE 126 CO -0.07 -0.35 0.21 -0.65 -1.46 0.00 0.00 175.22 172.90 2b5x s GLN 127 N -1.77 1.04 0.08 10.12 -1.52 -0.56 -5.01 119.66 122.04 2b5x s GLN 127 Ca -0.11 -1.20 -0.08 0.00 -1.95 0.00 0.00 55.36 52.01 2b5x s GLN 127 Cb -0.05 0.33 -0.00 0.00 -0.22 0.00 0.00 33.01 33.07 2b5x s GLN 127 CO 0.00 -0.35 0.17 0.00 -0.25 0.00 0.00 175.29 174.86 2b5x s ALA 128 N -3.97 -0.17 -1.22 6.09 0.00 -1.26 -0.87 121.76 120.36 2b5x s ALA 128 Ca 0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 2b5x s ALA 128 Cb 0.05 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2b5x s ALA 128 CO -0.02 -0.49 1.01 0.41 0.00 0.00 0.00 175.76 176.67 2b5x n GLY 129 N -0.01 -0.38 0.97 0.00 0.00 0.09 -4.93 105.19 100.93 2b5x n GLY 129 Ca -0.15 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.25 1.35 2.42 -0.02 0.00 -1.26 -4.97 105.19 101.46 2b5x n GLY 130 Ca -0.26 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 1.10 -3.28 0.00 1.61 7.64 -1.26 -1.64 113.62 117.79 2b5x n SER 131 Ca 0.18 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2b5x n SER 131 Cb 0.50 -2.83 0.00 0.00 -1.01 0.00 0.00 64.21 60.86 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 -0.72 0.65 2.43 0.23 0.00 -1.26 -4.60 105.19 101.92 2b5x n GLY 132 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -2.41 0.20 1.61 3.85 -0.65 -4.70 117.12 115.01 2b5x n MET 133 Ca 0.00 0.42 0.06 0.00 -1.00 0.00 0.00 57.70 57.18 2b5x n MET 133 Cb 0.00 -4.98 0.42 0.00 -1.05 0.00 0.00 33.22 27.61 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 0.00 -0.44 3.17 1.63 -1.92 -1.96 116.57 117.06 2b5x h LYS 134 Ca -0.20 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.46 2b5x h LYS 134 Cb 1.13 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 2b5x h LYS 134 CO 0.24 0.33 -0.25 1.98 -3.45 0.00 0.00 179.45 178.30 2b5x h MET 135 N 0.00 0.92 -0.18 1.90 4.05 -1.88 -3.16 114.93 116.57 2b5x h MET 135 Ca -0.00 -0.40 -0.03 0.00 -0.28 0.00 0.00 59.70 58.98 2b5x h MET 135 Cb 0.72 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2b5x h MET 135 CO 0.04 1.06 -0.03 1.25 0.23 0.00 0.00 176.91 179.46 2b5x h LEU 136 N 0.78 0.24 -0.87 3.39 5.85 -1.75 -0.58 115.31 122.38 2b5x h LEU 136 Ca 0.10 -0.03 0.23 0.00 0.84 0.00 0.00 57.88 59.01 2b5x h LEU 136 Cb 0.81 -0.06 -0.14 0.00 0.37 0.00 0.00 40.66 41.64 2b5x h LEU 136 CO 0.07 0.32 0.20 -0.08 -0.34 0.00 0.00 178.44 178.61 2b5x h GLU 137 N 0.26 0.18 -0.25 1.25 4.81 -1.43 0.77 114.58 120.17 2b5x h GLU 137 Ca 0.06 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 2b5x h GLU 137 Cb 0.23 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2b5x h GLU 137 CO 0.01 0.12 -0.61 0.87 -0.73 0.00 0.00 179.01 178.67 2b5x h LYS 138 N 0.19 0.84 -0.42 1.92 1.79 -1.23 -1.37 116.57 118.29 2b5x h LYS 138 Ca 0.54 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2b5x h LYS 138 Cb 1.07 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 2b5x h LYS 138 CO -0.67 1.20 0.17 -0.09 -1.08 0.00 0.00 179.45 178.98 2b5x h ARG 139 N 0.63 0.62 -0.80 3.15 9.65 -1.04 0.39 114.38 126.98 2b5x h ARG 139 Ca -0.00 -0.11 0.02 0.00 -1.10 0.00 0.00 59.98 58.79 2b5x h ARG 139 Cb 1.22 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.65 2b5x h ARG 139 CO 0.13 0.57 0.52 0.28 2.80 0.00 0.00 179.97 184.27 2b5x h VAL 140 N 0.53 1.17 -0.30 0.20 2.07 -0.80 0.91 116.25 120.03 2b5x h VAL 140 Ca 0.14 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 2b5x h VAL 140 Cb 0.18 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2b5x h VAL 140 CO -0.01 0.19 -0.29 0.78 0.02 0.00 0.00 177.57 178.26 2b5x h ASN 141 N 1.04 0.63 -0.42 0.57 2.35 -0.74 0.24 115.58 119.26 2b5x h ASN 141 Ca 0.30 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2b5x h ASN 141 Cb -0.07 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2b5x h ASN 141 CO -0.08 0.89 0.20 -0.09 -1.65 0.00 0.00 177.43 176.69 2b5x h ARG 142 N 0.53 0.60 -0.77 0.81 9.65 -0.43 -0.05 114.38 124.71 2b5x h ARG 142 Ca 0.07 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2b5x h ARG 142 Cb 0.77 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.19 2b5x h ARG 142 CO 0.06 0.53 0.50 0.28 2.80 0.00 0.00 179.97 184.13 2b5x h VAL 143 N 0.53 1.13 -0.50 0.20 2.07 -0.16 -1.11 116.25 118.41 2b5x h VAL 143 Ca 0.14 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2b5x h VAL 143 Cb 0.13 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2b5x h VAL 143 CO -0.02 0.18 0.32 -0.07 0.02 0.00 0.00 177.57 178.00 2b5x h LEU 144 N 0.98 0.54 0.00 2.57 3.38 -0.73 -1.13 115.31 120.92 2b5x h LEU 144 Ca 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2b5x h LEU 144 Cb -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2b5x h LEU 144 CO -0.10 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.82 2b5x n ALA 145 N -2.25 1.73 -0.29 1.53 0.00 -0.05 -1.09 120.51 120.10 2b5x n ALA 145 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2b5x n ALA 145 Cb 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2b5x n ALA 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2b5x n GLU 146 N -1.09 1.81 -2.75 0.00 0.28 -0.59 -4.80 120.64 113.50 2b5x n GLU 146 Ca 0.06 -1.11 -0.05 0.00 -0.16 0.00 0.00 57.16 55.90 2b5x n GLU 146 Cb 0.04 -0.86 0.04 0.00 1.43 0.00 0.00 31.44 32.10 2b5x n GLU 146 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2b5x n THR 147 N -0.32 1.07 -1.44 3.84 -1.04 -0.25 -5.07 114.28 111.08 2b5x n THR 147 Ca 0.00 -2.90 0.00 0.00 -2.04 0.00 0.00 64.05 59.11 2b5x n THR 147 Cb 0.29 0.99 0.00 0.00 -1.82 0.00 0.00 70.33 69.79 2b5x n THR 147 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64