#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5x n LYS 2 N 0.00 0.00 -4.31 0.03 5.02 -1.26 -5.09 118.16 112.56 2b5x n LYS 2 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2b5x n LYS 2 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 2b5x n LYS 2 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2b5x s LEU 3 N 0.00 3.08 -1.74 -0.35 1.43 -1.26 -4.78 118.68 115.06 2b5x s LEU 3 Ca 0.00 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2b5x s LEU 3 Cb 0.00 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2b5x s LEU 3 CO 0.00 0.04 0.00 0.54 0.23 0.00 0.00 176.35 177.16 2b5x n ARG 4 N -0.58 -1.60 -2.58 1.70 1.74 0.93 -4.97 116.66 111.31 2b5x n ARG 4 Ca -0.08 0.97 -0.30 0.00 -0.77 0.00 0.00 57.85 57.68 2b5x n ARG 4 Cb 0.58 -5.44 -0.02 0.00 -1.02 0.00 0.00 32.46 26.56 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 -4.15 3.73 0.44 5.56 1.11 -1.26 -4.66 119.66 120.43 2b5x s GLN 5 Ca 0.00 0.54 -0.23 0.00 0.01 0.00 0.00 55.36 55.68 2b5x s GLN 5 Cb 0.00 -2.30 -0.08 0.00 -1.01 0.00 0.00 33.01 29.63 2b5x s GLN 5 CO 0.00 -0.19 1.12 -1.25 0.01 0.00 0.00 175.29 174.98 2b5x s PRO 6 N -4.28 3.89 0.10 2.91 0.04 -1.26 -0.78 135.00 135.62 2b5x s PRO 6 Ca 0.52 1.68 -0.36 0.00 0.04 0.00 0.00 61.00 62.88 2b5x s PRO 6 Cb -0.10 -2.44 -0.17 0.00 0.04 0.00 0.00 34.50 31.83 2b5x s PRO 6 CO 0.38 -0.42 1.18 -0.12 0.04 0.00 0.00 177.00 178.06 2b5x n MET 7 N -0.38 0.86 0.00 4.56 0.00 0.28 -4.88 117.12 117.56 2b5x n MET 7 Ca 0.07 0.31 0.00 0.00 -0.00 0.00 0.00 57.70 58.07 2b5x n MET 7 Cb 0.49 -1.84 0.00 0.00 0.00 0.00 0.00 33.22 31.87 2b5x n MET 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2b5x n PRO 8 N 1.97 2.31 -2.05 2.12 -0.04 -1.26 -5.02 135.00 133.03 2b5x n PRO 8 Ca 0.18 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 2b5x n PRO 8 Cb 0.19 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.62 2b5x n PRO 8 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2b5x s GLU 9 N 0.40 4.28 -0.38 0.54 0.41 -1.26 -4.72 118.70 117.96 2b5x s GLU 9 Ca 0.00 2.23 -0.01 0.00 -0.41 0.00 0.00 54.97 56.79 2b5x s GLU 9 Cb 0.00 -3.17 0.10 0.00 -1.78 0.00 0.00 34.13 29.29 2b5x s GLU 9 CO 0.00 -0.46 0.15 -0.51 -0.49 0.00 0.00 175.26 173.95 2b5x s LEU 10 N 0.46 5.04 0.02 1.80 2.01 -1.26 -3.92 118.68 122.83 2b5x s LEU 10 Ca 0.63 -2.03 -0.28 0.00 0.01 0.00 0.00 54.13 52.46 2b5x s LEU 10 Cb -0.41 -1.76 0.08 0.00 0.01 0.00 0.00 46.19 44.12 2b5x s LEU 10 CO 0.36 -0.48 0.72 0.28 1.01 0.00 0.00 176.35 178.24 2b5x s THR 11 N 1.07 0.00 0.01 5.49 -1.32 -1.26 -4.37 115.64 115.26 2b5x s THR 11 Ca 0.08 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.29 2b5x s THR 11 Cb -0.21 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.86 2b5x s THR 11 CO -0.05 0.00 0.77 -0.83 -2.21 0.00 0.00 174.62 172.30 2b5x s GLY 12 N -1.92 -0.51 0.00 6.08 0.00 -1.26 -3.26 107.32 106.45 2b5x s GLY 12 Ca -0.03 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.77 2b5x s GLY 12 CO -0.02 0.54 0.00 -2.21 0.00 0.00 0.00 173.10 171.41 2b5x n GLU 13 N 0.14 2.83 -0.14 2.90 4.07 -1.17 -4.75 120.64 124.52 2b5x n GLU 13 Ca -0.14 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.87 2b5x n GLU 13 Cb 0.61 -0.32 0.05 0.00 -0.06 0.00 0.00 31.44 31.72 2b5x n GLU 13 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2b5x h LYS 14 N 0.00 0.92 -3.08 5.31 3.64 -1.57 -3.46 116.57 118.33 2b5x h LYS 14 Ca 0.00 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 2b5x h LYS 14 Cb 0.00 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.66 2b5x h LYS 14 CO 0.00 1.01 0.16 0.00 -2.27 0.00 0.00 179.45 178.35 2b5x s ALA 15 N -4.73 -1.41 -0.38 5.00 0.00 -0.50 -4.95 121.76 114.80 2b5x s ALA 15 Ca -0.10 0.25 0.12 0.00 0.00 0.00 0.00 51.96 52.23 2b5x s ALA 15 Cb 0.13 0.86 0.39 0.00 0.00 0.00 0.00 23.12 24.50 2b5x s ALA 15 CO 0.85 -0.79 1.04 -2.67 0.00 0.00 0.00 175.76 174.19 2b5x n TRP 16 N -0.37 -0.79 -1.79 0.00 -0.00 -1.26 -0.83 117.44 112.41 2b5x n TRP 16 Ca -0.15 -2.67 -0.42 0.00 -0.00 0.00 0.00 57.50 54.27 2b5x n TRP 16 Cb 0.64 0.52 -0.02 0.00 -0.00 0.00 0.00 31.31 32.45 2b5x n TRP 16 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2b5x s LEU 17 N -2.83 4.35 0.00 5.67 1.43 -0.52 -1.69 118.68 125.10 2b5x s LEU 17 Ca 0.28 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.29 2b5x s LEU 17 Cb 0.39 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2b5x s LEU 17 CO -0.04 -0.91 0.00 0.59 0.23 0.00 0.00 176.35 176.22 2b5x n ASN 18 N 2.53 0.00 0.00 2.29 3.02 -1.26 -1.84 115.26 120.00 2b5x n ASN 18 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 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 1.34 3.10 7.41 0.00 -0.68 -4.86 105.19 111.50 2b5x n GLY 19 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.58 0.62 -0.05 1.61 4.04 -1.26 -1.61 118.70 120.47 2b5x s GLU 20 Ca 0.00 -1.09 -0.11 0.00 0.04 0.00 0.00 54.97 53.81 2b5x s GLU 20 Cb 0.00 0.22 0.02 0.00 0.02 0.00 0.00 34.13 34.39 2b5x s GLU 20 CO 0.00 -0.13 0.27 0.14 -1.84 0.00 0.00 175.26 173.70 2b5x s VAL 21 N -3.60 0.04 0.83 1.83 -7.23 -1.26 -5.06 120.40 105.96 2b5x s VAL 21 Ca 0.04 -0.33 -0.11 0.00 -1.81 0.00 0.00 61.98 59.77 2b5x s VAL 21 Cb 0.05 -0.50 0.09 0.00 0.56 0.00 0.00 36.38 36.58 2b5x s VAL 21 CO -0.09 -0.18 1.09 0.42 -0.31 0.00 0.00 175.10 176.03 2b5x s THR 22 N -0.75 3.00 0.27 5.32 -4.23 -1.26 -4.80 115.64 113.18 2b5x s THR 22 Ca -0.08 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2b5x s THR 22 Cb -0.04 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.15 2b5x s THR 22 CO 0.02 -0.42 1.71 0.08 -0.54 0.00 0.00 174.62 175.47 2b5x h ARG 23 N -1.28 0.41 0.00 3.99 0.11 -1.85 -1.50 114.38 114.26 2b5x h ARG 23 Ca -0.47 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2b5x h ARG 23 Cb 1.26 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2b5x h ARG 23 CO 0.55 0.27 0.00 -0.85 0.10 0.00 0.00 179.97 180.04 2b5x n GLU 24 N -5.03 0.16 -0.04 0.08 0.28 -1.26 -0.52 120.64 114.31 2b5x n GLU 24 Ca 0.18 0.44 0.02 0.00 -0.16 0.00 0.00 57.16 57.65 2b5x n GLU 24 Cb 0.53 -1.84 -0.16 0.00 1.43 0.00 0.00 31.44 31.40 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 -2.15 0.72 0.16 3.44 6.02 -0.69 -4.56 117.38 120.31 2b5x n GLN 25 Ca 0.02 -0.12 -0.07 0.00 -0.01 0.00 0.00 57.00 56.82 2b5x n GLN 25 Cb 0.19 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.40-10.69 1.08 3.38 -0.17 -3.48 115.31 105.02 2b5x h LEU 26 Ca -0.21 0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.32 2b5x h LEU 26 Cb 1.45 0.10 0.10 0.00 0.09 0.00 0.00 40.66 42.40 2b5x h LEU 26 CO 0.01 0.01 0.19 0.27 0.09 0.00 0.00 178.44 179.02 2b5x s ILE 27 N -3.10 2.17 0.00 1.22 -4.36 0.33 -4.66 121.20 112.79 2b5x s ILE 27 Ca -0.07 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 2b5x s ILE 27 Cb 0.01 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.95 2b5x s ILE 27 CO 0.21 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.00 2b5x n GLY 28 N -3.04 1.93 0.03 6.27 0.00 -0.40 -4.80 105.19 105.18 2b5x n GLY 28 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 -4.10 1.61 2.13 -1.25 -4.98 120.64 114.04 2b5x n GLU 29 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2b5x n GLU 29 Cb 0.00 -0.28 -0.12 0.00 0.27 0.00 0.00 31.44 31.31 2b5x n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2b5x s LYS 30 N -1.01 0.56 1.17 5.31 1.02 -1.26 -4.90 119.74 120.62 2b5x s LYS 30 Ca 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.17 2b5x s LYS 30 Cb 0.00 -0.39 0.29 0.00 -0.52 0.00 0.00 37.83 37.21 2b5x s LYS 30 CO 0.00 0.08 1.03 -1.25 -0.92 0.00 0.00 175.35 174.29 2b5x s PRO 31 N -1.36 -0.97 0.07 -1.68 0.04 -1.26 -4.14 135.00 125.70 2b5x s PRO 31 Ca -0.07 0.89 0.05 0.00 0.04 0.00 0.00 61.00 61.91 2b5x s PRO 31 Cb -0.09 -1.54 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 2b5x s PRO 31 CO 0.01 -3.78 -0.13 0.99 0.04 0.00 0.00 177.00 174.12 2b5x s THR 32 N -2.43 1.03 -0.21 1.26 2.01 -0.24 -0.86 115.64 116.19 2b5x s THR 32 Ca 0.69 -1.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 2b5x s THR 32 Cb -0.25 -1.01 0.06 0.00 0.01 0.00 0.00 72.50 71.31 2b5x s THR 32 CO 0.65 -0.25 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.07 2b5x s LEU 33 N -1.72 2.16 -0.07 4.42 2.96 -0.02 -0.54 118.68 125.87 2b5x s LEU 33 Ca -0.03 -1.01 -0.14 0.00 -0.22 0.00 0.00 54.13 52.72 2b5x s LEU 33 Cb -0.10 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 2b5x s LEU 33 CO 0.02 -0.23 0.37 -0.63 -1.32 0.00 0.00 176.35 174.55 2b5x s ILE 34 N 1.51 5.17 0.05 6.68 1.01 -0.55 -1.19 121.20 133.87 2b5x s ILE 34 Ca -0.04 0.73 0.04 0.00 0.00 0.00 0.00 60.65 61.38 2b5x s ILE 34 Cb -0.18 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2b5x s ILE 34 CO -0.07 0.50 -0.13 -1.38 0.00 0.00 0.00 174.94 173.86 2b5x s HIS 35 N -0.43 1.08 -0.09 3.97 -3.43 -0.80 -1.09 115.29 114.50 2b5x s HIS 35 Ca 0.21 -0.41 -0.02 0.00 -0.80 0.00 0.00 55.06 54.05 2b5x s HIS 35 Cb -0.15 -0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 30.34 2b5x s HIS 35 CO 0.10 0.02 -0.02 -0.06 -2.00 0.00 0.00 174.74 172.78 2b5x s PHE 36 N -1.08 3.09 0.34 0.38 0.40 0.62 -0.80 117.98 120.92 2b5x s PHE 36 Ca -0.02 0.08 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 2b5x s PHE 36 Cb -0.09 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.67 2b5x s PHE 36 CO 0.01 0.35 0.71 1.67 0.70 0.00 0.00 175.22 178.67 2b5x s TRP 37 N -0.65 0.15 0.30 0.36 1.48 -1.00 -0.68 118.94 118.89 2b5x s TRP 37 Ca 0.10 -0.69 0.04 0.00 -1.06 0.00 0.00 56.10 54.49 2b5x s TRP 37 Cb -0.12 0.65 -0.03 0.00 -1.16 0.00 0.00 33.47 32.82 2b5x s TRP 37 CO 0.02 -1.38 0.26 -1.54 -4.06 0.00 0.00 176.95 170.25 2b5x s SER 38 N -3.04 1.20 -0.25 -2.66 1.04 -1.26 -0.72 113.70 108.02 2b5x s SER 38 Ca 0.16 -1.63 0.13 0.00 0.48 0.00 0.00 55.95 55.09 2b5x s SER 38 Cb -0.05 0.52 0.58 0.00 0.10 0.00 0.00 66.02 67.18 2b5x s SER 38 CO 0.11 -1.03 1.53 2.30 0.98 0.00 0.00 173.24 177.13 2b5x n ILE 39 N -0.53 2.52 -0.06 -1.02 -5.35 -1.26 -4.64 119.36 109.03 2b5x n ILE 39 Ca 0.05 -2.06 0.00 0.00 -0.27 0.00 0.00 62.75 60.48 2b5x n ILE 39 Cb 0.63 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 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 -0.60 0.11 -4.28 7.28 3.41 -1.26 -4.86 113.62 113.41 2b5x n SER 40 Ca 0.30 -0.44 -0.28 0.00 -0.26 0.00 0.00 58.87 58.18 2b5x n SER 40 Cb 1.06 0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 65.41 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 5.10 1.16 -0.49 0.00 2.76 -1.97 -1.52 115.15 120.19 2b5x h HIS 42 Ca -0.43 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 57.64 2b5x h HIS 42 Cb 1.14 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 2b5x h HIS 42 CO 0.46 0.87 0.24 -0.07 -1.30 0.00 0.00 177.93 178.13 2b5x h LEU 43 N 1.12 0.61 -0.73 0.26 3.38 -1.97 -0.44 115.31 117.53 2b5x h LEU 43 Ca 0.26 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2b5x h LEU 43 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2b5x h LEU 43 CO -0.03 0.52 0.34 0.00 0.09 0.00 0.00 178.44 179.37 2b5x h LYS 45 N 1.03 0.00 0.11 0.00 1.79 -0.52 0.16 116.57 119.14 2b5x h LYS 45 Ca 0.25 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.36 2b5x h LYS 45 Cb 0.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2b5x h LYS 45 CO -0.03 0.03 -2.01 0.39 -1.08 0.00 0.00 179.45 176.76 2b5x n GLU 46 N -3.24 0.75 -0.17 3.15 -0.58 -0.87 -4.01 120.64 115.68 2b5x n GLU 46 Ca -0.01 0.27 -0.01 0.00 -0.42 0.00 0.00 57.16 56.98 2b5x n GLU 46 Cb 0.21 -1.70 0.22 0.00 -0.57 0.00 0.00 31.44 29.60 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 0.04 1.35 -0.05 0.62 0.00 -0.80 -2.96 119.26 117.46 2b5x h ALA 47 Ca -0.43 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.39 2b5x h ALA 47 Cb 2.00 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 2b5x h ALA 47 CO 0.07 0.51 -0.44 0.52 0.00 0.00 0.00 179.25 179.91 2b5x h MET 48 N 0.90 -0.54 -0.65 0.00 2.86 -0.81 0.38 114.93 117.07 2b5x h MET 48 Ca 0.22 0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.86 2b5x h MET 48 Cb 0.08 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2b5x h MET 48 CO -0.03 -0.36 0.25 -1.00 1.06 0.00 0.00 176.91 176.83 2b5x h PRO 49 N -0.56 0.96 -0.14 -0.22 0.13 -1.73 -2.66 132.00 127.79 2b5x h PRO 49 Ca 0.05 -0.16 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 2b5x h PRO 49 Cb 0.65 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2b5x h PRO 49 CO -0.36 0.79 -0.43 0.37 -0.23 0.00 0.00 178.00 178.15 2b5x h GLN 50 N 0.94 0.32 -1.00 0.86 -0.00 -1.05 -1.62 115.11 113.57 2b5x h GLN 50 Ca 0.22 -0.16 0.07 0.00 -0.00 0.00 0.00 58.65 58.78 2b5x h GLN 50 Cb 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.62 2b5x h GLN 50 CO -0.02 0.70 0.64 0.28 0.00 0.00 0.00 178.83 180.43 2b5x h VAL 51 N 0.27 1.06 -0.27 2.39 2.07 -0.13 0.20 116.25 121.83 2b5x h VAL 51 Ca 0.02 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2b5x h VAL 51 Cb 0.87 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2b5x h VAL 51 CO 0.07 0.21 0.14 -1.13 0.02 0.00 0.00 177.57 176.88 2b5x h ASN 52 N 1.13 0.21 0.23 0.57 -1.24 -0.95 0.54 115.58 116.07 2b5x h ASN 52 Ca 0.44 0.01 -0.17 0.00 0.71 0.00 0.00 56.30 57.29 2b5x h ASN 52 Cb 0.23 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 2b5x h ASN 52 CO -0.18 0.16 -0.67 1.05 -1.29 0.00 0.00 177.43 176.49 2b5x h GLU 53 N 0.29 0.41 -0.55 6.67 4.11 -1.11 -2.78 114.58 121.62 2b5x h GLU 53 Ca 0.11 -0.31 0.03 0.00 0.07 0.00 0.00 59.36 59.26 2b5x h GLU 53 Cb 0.03 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2b5x h GLU 53 CO -0.07 0.93 0.33 0.35 0.07 0.00 0.00 179.01 180.61 2b5x h PHE 54 N 0.29 0.61 -0.05 2.06 3.04 -0.29 0.12 116.94 122.72 2b5x h PHE 54 Ca -0.02 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.96 2b5x h PHE 54 Cb 1.23 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 2b5x h PHE 54 CO 0.04 0.34 -0.02 -0.09 -2.02 0.00 0.00 178.31 176.57 2b5x h ARG 55 N 0.64 -0.01 -0.14 1.11 1.12 -0.83 -1.39 114.38 114.89 2b5x h ARG 55 Ca 0.22 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.89 2b5x h ARG 55 Cb 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.01 2b5x h ARG 55 CO -0.10 -0.01 -0.72 0.22 -3.11 0.00 0.00 179.97 176.25 2b5x h ASP 56 N -0.01 0.86 0.23 -3.80 3.58 -1.13 -0.50 116.42 115.65 2b5x h ASP 56 Ca 0.03 -0.64 -0.05 0.00 0.42 0.00 0.00 57.03 56.79 2b5x h ASP 56 Cb 0.05 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2b5x h ASP 56 CO -0.06 1.36 -0.22 0.50 -2.88 0.00 0.00 179.24 177.94 2b5x h LYS 57 N 0.42 0.00 0.00 0.28 3.64 -0.72 -3.30 116.57 116.90 2b5x h LYS 57 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2b5x h LYS 57 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2b5x h LYS 57 CO 0.15 0.22 0.00 0.66 -2.27 0.00 0.00 179.45 178.21 2b5x n TYR 58 N -4.25 0.00 0.17 1.91 4.01 -0.53 -4.79 117.16 113.69 2b5x n TYR 58 Ca -0.02 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.90 2b5x n TYR 58 Cb 0.28 0.00 0.77 0.00 -0.31 0.00 0.00 39.34 40.08 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 -1.16 0.16 115.11 113.39 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 2b5x h GLN 59 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.83 175.36 2b5x n ASP 60 N -3.48 0.00 0.00 0.06 2.03 -1.26 -4.19 116.55 109.71 2b5x n ASP 60 Ca 0.04 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.69 2b5x n ASP 60 Cb 0.53 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.45 1.88 -3.78 -0.67 6.02 0.18 -5.11 117.38 114.45 2b5x n GLN 61 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.95 2b5x n GLN 61 Cb 0.30 -0.16 -0.11 0.00 1.02 0.00 0.00 30.24 31.30 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 -0.01 0.97 -0.56 1.08 2.96 0.33 -4.04 118.68 119.42 2b5x s LEU 62 Ca 0.00 0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 54.12 2b5x s LEU 62 Cb 0.00 1.00 0.12 0.00 0.50 0.00 0.00 46.19 47.81 2b5x s LEU 62 CO 0.00 -0.20 0.59 0.20 -1.32 0.00 0.00 176.35 175.62 2b5x s ASN 63 N -0.33 6.19 0.22 3.68 0.01 -0.04 -4.13 114.94 120.55 2b5x s ASN 63 Ca -0.04 -1.64 -0.30 0.00 -0.71 0.00 0.00 52.86 50.17 2b5x s ASN 63 Cb -0.03 -2.25 -0.08 0.00 0.41 0.00 0.00 41.25 39.29 2b5x s ASN 63 CO 0.01 -0.97 1.06 -0.69 -1.51 0.00 0.00 177.10 175.00 2b5x s VAL 64 N 2.07 3.80 0.05 1.60 1.01 -1.26 -0.84 120.40 126.83 2b5x s VAL 64 Ca 0.07 1.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.64 2b5x s VAL 64 Cb -0.27 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2b5x s VAL 64 CO 0.04 0.35 0.22 0.54 0.00 0.00 0.00 175.10 176.26 2b5x s VAL 65 N -0.75 0.11 0.14 2.92 0.11 -0.34 -4.28 120.40 118.31 2b5x s VAL 65 Ca 0.46 -0.91 -0.06 0.00 -2.93 0.00 0.00 61.98 58.54 2b5x s VAL 65 Cb -0.29 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 2b5x s VAL 65 CO 0.36 -0.50 0.18 0.00 -3.33 0.00 0.00 175.10 171.81 2b5x s ALA 66 N -2.91 0.34 -0.18 1.54 0.00 -0.85 -1.90 121.76 117.80 2b5x s ALA 66 Ca -0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 2b5x s ALA 66 Cb 0.00 0.81 0.06 0.00 0.00 0.00 0.00 23.12 24.00 2b5x s ALA 66 CO -0.06 -0.56 0.08 0.08 0.00 0.00 0.00 175.76 175.30 2b5x s VAL 67 N -3.99 0.05 -0.15 0.00 1.01 0.02 -1.57 120.40 115.76 2b5x s VAL 67 Ca 0.19 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2b5x s VAL 67 Cb 0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2b5x s VAL 67 CO -0.00 -0.28 1.34 -2.28 0.00 0.00 0.00 175.10 173.87 2b5x s HIS 68 N 2.08 2.68 -0.47 5.22 2.46 -0.68 -2.38 115.29 124.19 2b5x s HIS 68 Ca 0.02 0.85 -0.26 0.00 0.47 0.00 0.00 55.06 56.14 2b5x s HIS 68 Cb -0.16 -3.59 0.03 0.00 -0.13 0.00 0.00 32.58 28.72 2b5x s HIS 68 CO -0.10 -2.09 0.98 1.41 -2.47 0.00 0.00 174.74 172.47 2b5x s MET 69 N 3.63 3.56 0.20 2.88 1.75 0.11 -4.59 119.30 126.83 2b5x s MET 69 Ca 0.58 0.23 -0.31 0.00 -1.25 0.00 0.00 55.69 54.94 2b5x s MET 69 Cb -0.24 -3.93 -0.10 0.00 2.84 0.00 0.00 34.83 33.40 2b5x s MET 69 CO 0.18 -1.29 1.54 -1.25 -0.65 0.00 0.00 175.02 173.55 2b5x s PRO 70 N 3.96 4.22 0.00 4.11 0.04 -1.26 -4.64 135.00 141.42 2b5x s PRO 70 Ca 0.39 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2b5x s PRO 70 Cb -0.09 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2b5x s PRO 70 CO 0.27 -0.56 0.00 -2.13 0.04 0.00 0.00 177.00 174.62 2b5x n ARG 71 N 3.40 0.00 -3.78 4.56 0.63 -1.26 -5.01 116.66 115.19 2b5x n ARG 71 Ca 0.12 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.95 2b5x n ARG 71 Cb 0.39 -0.49 -0.06 0.00 0.45 0.00 0.00 32.46 32.75 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 -1.24 -0.01 0.55 6.15 0.01 -1.26 -5.03 113.70 112.87 2b5x s SER 72 Ca 0.00 -0.55 0.23 0.00 1.31 0.00 0.00 55.95 56.94 2b5x s SER 72 Cb 0.00 0.39 1.53 0.00 0.21 0.00 0.00 66.02 68.16 2b5x s SER 72 CO 0.00 -0.79 2.20 -0.08 0.41 0.00 0.00 173.24 174.98 2b5x h GLU 73 N 2.60 0.00 0.00 12.44 4.81 -2.00 0.40 114.58 132.82 2b5x h GLU 73 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2b5x h GLU 73 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2b5x h GLU 73 CO 0.52 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.33 2b5x n ASP 74 N -4.21 0.00 0.00 1.04 2.03 -1.26 -4.04 116.55 110.11 2b5x n ASP 74 Ca -0.03 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2b5x n ASP 74 Cb 0.10 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 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 -1.47 0.00 0.00 1.67 5.68 -0.35 -4.84 116.55 117.25 2b5x n ASP 75 Ca 0.04 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.43 2b5x n ASP 75 Cb 0.15 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 40.71 2b5x n ASP 75 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b5x n LEU 76 N 0.00 0.00 -4.29 -2.12 -0.00 -0.02 -4.70 117.00 105.88 2b5x n LEU 76 Ca 0.00 0.03 -0.35 0.00 -0.00 0.00 0.00 56.01 55.70 2b5x n LEU 76 Cb 0.00 -0.03 -0.14 0.00 -0.00 0.00 0.00 43.42 43.24 2b5x n LEU 76 CO 0.00 -0.01 -0.41 -0.62 -0.00 0.00 0.00 177.39 176.35 2b5x s ASP 77 N -2.07 4.11 0.66 1.45 -1.08 -1.26 -4.98 116.67 113.50 2b5x s ASP 77 Ca 0.29 -0.42 0.37 0.00 -0.52 0.00 0.00 52.55 52.26 2b5x s ASP 77 Cb 0.14 -1.69 2.00 0.00 -1.46 0.00 0.00 42.92 41.91 2b5x s ASP 77 CO 0.24 0.00 2.14 -0.65 0.52 0.00 0.00 175.17 177.42 2b5x h PRO 78 N 7.95 0.00 -0.13 4.34 0.11 -1.93 -1.86 132.00 140.48 2b5x h PRO 78 Ca -0.41 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.52 2b5x h PRO 78 Cb 1.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.28 2b5x h PRO 78 CO 0.61 0.00 -0.64 0.78 -0.21 0.00 0.00 178.00 178.54 2b5x h GLY 79 N 0.00 0.73 0.99 -0.55 0.00 -1.96 0.44 103.07 102.72 2b5x h GLY 79 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.31 2b5x h GLY 79 CO -0.00 0.92 0.23 0.50 0.00 0.00 0.00 176.54 178.19 2b5x h LYS 80 N 0.33 0.49 0.49 4.80 1.57 -1.73 -1.00 116.57 121.53 2b5x h LYS 80 Ca -0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2b5x h LYS 80 Cb 1.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2b5x h LYS 80 CO 0.13 0.35 -0.24 0.82 -0.57 0.00 0.00 179.45 179.95 2b5x h ILE 81 N 0.49 0.51 -0.29 1.86 2.04 -1.34 -1.11 117.51 119.67 2b5x h ILE 81 Ca 0.13 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.04 2b5x h ILE 81 Cb -0.02 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 2b5x h ILE 81 CO -0.03 0.00 -0.09 0.50 0.00 0.00 0.00 178.15 178.53 2b5x h LYS 82 N -0.67 -0.03 -0.45 2.37 1.63 -0.84 0.11 116.57 118.68 2b5x h LYS 82 Ca -0.07 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 2b5x h LYS 82 Cb 0.51 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 2b5x h LYS 82 CO 0.11 -0.02 0.14 0.93 -3.45 0.00 0.00 179.45 177.16 2b5x h GLU 83 N -0.03 0.67 0.15 1.90 4.39 -0.98 -0.04 114.58 120.63 2b5x h GLU 83 Ca 0.14 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2b5x h GLU 83 Cb 0.25 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2b5x h GLU 83 CO -0.32 0.59 -0.07 1.15 -1.16 0.00 0.00 179.01 179.20 2b5x h THR 84 N 0.65 0.96 -0.70 1.13 2.02 -0.76 -3.23 112.91 112.98 2b5x h THR 84 Ca 0.15 -1.08 0.11 0.00 0.77 0.00 0.00 66.41 66.36 2b5x h THR 84 Cb 0.21 1.57 -0.08 0.00 -1.74 0.00 0.00 68.15 68.10 2b5x h THR 84 CO -0.01 0.23 0.30 0.00 0.37 0.00 0.00 175.52 176.41 2b5x h ALA 85 N -0.11 0.96 -0.29 6.16 0.00 -0.60 -1.21 119.26 124.16 2b5x h ALA 85 Ca -0.02 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2b5x h ALA 85 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2b5x h ALA 85 CO 0.03 -0.14 0.21 0.00 0.00 0.00 0.00 179.25 179.35 2b5x h ALA 86 N 1.47 2.26 0.08 0.00 0.00 -1.08 -1.41 119.26 120.58 2b5x h ALA 86 Ca 0.36 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.93 2b5x h ALA 86 Cb 0.46 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2b5x h ALA 86 CO -0.32 -0.36 -1.79 0.93 0.00 0.00 0.00 179.25 177.71 2b5x h GLU 87 N 0.00 0.17 0.00 0.00 4.39 -1.27 -3.27 114.58 114.60 2b5x h GLU 87 Ca 0.14 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2b5x h GLU 87 Cb 0.55 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2b5x h GLU 87 CO -0.00 0.94 0.00 0.72 -1.16 0.00 0.00 179.01 179.51 2b5x n HIS 88 N -3.32 0.00 -1.01 4.33 8.25 -0.72 -4.90 115.22 117.84 2b5x n HIS 88 Ca -0.23 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.23 2b5x n HIS 88 Cb 1.05 -0.43 -0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.43 -3.57 -4.66 0.41 2.03 -0.59 -4.49 116.55 104.24 2b5x n ASP 89 Ca 0.04 0.01 -0.43 0.00 0.52 0.00 0.00 54.79 54.94 2b5x n ASP 89 Cb 0.15 -1.10 -0.02 0.00 -0.72 0.00 0.00 41.12 39.42 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 -1.84 4.02 -0.09 5.18 -4.36 -1.18 -4.87 121.20 118.07 2b5x s ILE 90 Ca 0.00 1.24 0.01 0.00 -0.26 0.00 0.00 60.65 61.64 2b5x s ILE 90 Cb 0.00 -3.80 0.01 0.00 1.25 0.00 0.00 42.46 39.92 2b5x s ILE 90 CO 0.00 -0.11 0.50 0.35 0.24 0.00 0.00 174.94 175.93 2b5x n THR 91 N 5.38 0.00 -0.83 8.37 -2.24 -1.26 -4.76 114.28 118.94 2b5x n THR 91 Ca 0.15 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 2b5x n THR 91 Cb 0.44 1.01 0.13 0.00 -2.10 0.00 0.00 70.33 69.82 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 0.00 -0.24 -1.95 -0.78 10.64 -1.26 -4.91 117.38 118.88 2b5x n GLN 92 Ca 0.00 -0.02 -0.41 0.00 -1.83 0.00 0.00 57.00 54.75 2b5x n GLN 92 Cb 0.02 -2.09 -0.01 0.00 -0.86 0.00 0.00 30.24 27.30 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 -3.94 4.19 -0.01 2.61 0.04 -1.26 -4.66 135.00 131.96 2b5x s PRO 93 Ca 0.63 2.40 -0.04 0.00 0.04 0.00 0.00 61.00 64.03 2b5x s PRO 93 Cb -0.24 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2b5x s PRO 93 CO 0.62 -0.40 0.08 0.42 0.04 0.00 0.00 177.00 177.75 2b5x s ILE 94 N -1.14 0.05 0.16 0.56 1.01 -0.63 -2.02 121.20 119.19 2b5x s ILE 94 Ca 0.52 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.82 2b5x s ILE 94 Cb -0.43 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 2b5x s ILE 94 CO 0.58 -0.21 -0.07 0.72 0.00 0.00 0.00 174.94 175.96 2b5x s PHE 95 N -0.66 1.27 0.00 3.97 -0.12 -0.61 -1.44 117.98 120.39 2b5x s PHE 95 Ca -0.07 -0.83 0.00 0.00 -0.05 0.00 0.00 56.93 55.98 2b5x s PHE 95 Cb -0.05 -0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 41.66 2b5x s PHE 95 CO 0.00 0.01 -0.01 0.08 -0.05 0.00 0.00 175.22 175.25 2b5x s VAL 96 N -3.40 0.09 0.09 -2.49 1.01 -0.01 -1.68 120.40 114.01 2b5x s VAL 96 Ca 0.19 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 2b5x s VAL 96 Cb 0.04 -0.11 0.05 0.00 0.00 0.00 0.00 36.38 36.35 2b5x s VAL 96 CO 0.02 -0.08 0.47 -0.62 0.00 0.00 0.00 175.10 174.89 2b5x s ASP 97 N -0.31 -0.36 0.44 3.32 2.15 -1.26 -1.36 116.67 119.29 2b5x s ASP 97 Ca -0.03 -0.07 0.30 0.00 0.43 0.00 0.00 52.55 53.19 2b5x s ASP 97 Cb -0.02 0.49 1.36 0.00 -0.30 0.00 0.00 42.92 44.45 2b5x s ASP 97 CO -0.00 -0.80 1.91 0.77 -0.17 0.00 0.00 175.17 176.88 2b5x h SER 98 N 2.53 0.00 0.00 -0.34 4.64 -1.98 -3.40 113.55 115.00 2b5x h SER 98 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2b5x h SER 98 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2b5x h SER 98 CO 0.43 0.00 -0.30 -0.67 -0.87 0.00 0.00 176.83 175.42 2b5x n ASP 99 N -2.71 0.39 -1.24 4.97 2.03 -1.26 -5.12 116.55 113.61 2b5x n ASP 99 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2b5x n ASP 99 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 -2.37 -3.20 0.35 -0.67 8.25 -1.26 -4.44 115.22 111.87 2b5x n HIS 100 Ca 0.00 1.67 0.14 0.00 -0.26 0.00 0.00 57.72 59.27 2b5x n HIS 100 Cb 0.15 -2.95 0.56 0.00 1.12 0.00 0.00 29.99 28.87 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 1.98 1.00 -0.30 -1.41 0.00 -1.82 -1.83 119.26 116.88 2b5x h ALA 101 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2b5x h ALA 101 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2b5x h ALA 101 CO 0.00 0.00 -0.25 -0.07 0.00 0.00 0.00 179.25 178.93 2b5x h LEU 102 N 0.00 0.60 -2.29 0.00 4.07 -1.86 -2.57 115.31 113.25 2b5x h LEU 102 Ca 0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 2b5x h LEU 102 Cb 0.45 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 2b5x h LEU 102 CO 0.00 0.83 -0.04 0.74 -1.08 0.00 0.00 178.44 178.89 2b5x h THR 103 N 0.52 0.29 0.00 0.22 2.02 -1.54 0.55 112.91 114.96 2b5x h THR 103 Ca 0.07 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2b5x h THR 103 Cb 0.70 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2b5x h THR 103 CO 0.05 0.04 0.00 -0.78 0.37 0.00 0.00 175.52 175.21 2b5x h ASP 104 N 0.00 0.00 0.00 4.18 3.58 -1.54 0.20 116.42 122.85 2b5x h ASP 104 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2b5x h ASP 104 Cb 0.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2b5x h ASP 104 CO 0.01 0.00 -1.45 0.00 -2.88 0.00 0.00 179.24 174.91 2b5x n ALA 105 N -1.99 2.12 -0.45 -0.78 0.00 0.05 -4.77 120.51 114.69 2b5x n ALA 105 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2b5x n ALA 105 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2b5x n ALA 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2b5x n PHE 106 N -1.99 0.00 -4.00 0.00 -0.00 0.17 -4.24 117.46 107.40 2b5x n PHE 106 Ca -0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.09 2b5x n PHE 106 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.91 2b5x n PHE 106 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2b5x n GLU 107 N -0.09 -4.08 -1.22 -4.13 1.02 0.06 -4.73 120.64 107.48 2b5x n GLU 107 Ca 0.00 0.47 -0.48 0.00 -0.02 0.00 0.00 57.16 57.13 2b5x n GLU 107 Cb 0.11 -5.05 -0.07 0.00 -0.02 0.00 0.00 31.44 26.41 2b5x n GLU 107 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2b5x n ASN 108 N -2.85 0.84 -2.73 1.62 2.85 -1.26 -4.89 115.26 108.83 2b5x n ASN 108 Ca -0.09 0.82 -0.03 0.00 -0.11 0.00 0.00 54.58 55.17 2b5x n ASN 108 Cb 0.58 -0.63 0.09 0.00 1.24 0.00 0.00 39.78 41.06 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 3.01 1.43 -3.83 1.20 2.13 -1.26 -4.98 120.64 118.35 2b5x n GLU 109 Ca 0.23 -2.39 -0.13 0.00 0.66 0.00 0.00 57.16 55.54 2b5x n GLU 109 Cb -0.04 -0.59 -0.14 0.00 0.27 0.00 0.00 31.44 30.95 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 -1.68 -0.08 -0.29 4.31 -0.85 -1.26 -5.15 117.35 112.35 2b5x s TYR 110 Ca 0.20 0.22 -0.26 0.00 -0.52 0.00 0.00 57.07 56.71 2b5x s TYR 110 Cb 0.40 -0.01 0.17 0.00 0.38 0.00 0.00 41.96 42.90 2b5x s TYR 110 CO -0.07 -0.06 1.32 0.54 -1.52 0.00 0.00 175.55 175.76 2b5x s VAL 111 N 0.29 0.00 0.37 -3.49 0.11 -1.26 -4.73 120.40 111.68 2b5x s VAL 111 Ca -0.02 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.77 2b5x s VAL 111 Cb -0.03 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.73 2b5x s VAL 111 CO -0.01 0.00 1.07 -2.16 -3.33 0.00 0.00 175.10 170.67 2b5x s PRO 112 N -0.08 4.28 0.05 1.54 0.04 -1.26 -4.86 135.00 134.70 2b5x s PRO 112 Ca 0.06 1.61 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 2b5x s PRO 112 Cb -0.04 -2.72 -0.00 0.00 0.04 0.00 0.00 34.50 31.77 2b5x s PRO 112 CO -0.12 -0.06 0.15 0.00 0.04 0.00 0.00 177.00 177.01 2b5x s ALA 113 N -1.51 -0.19 -0.01 8.56 0.00 0.14 -1.07 121.76 127.68 2b5x s ALA 113 Ca 0.54 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 2b5x s ALA 113 Cb -0.25 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2b5x s ALA 113 CO 0.32 -0.38 0.03 0.71 0.00 0.00 0.00 175.76 176.43 2b5x s TYR 114 N -2.97 -0.00 -0.06 0.00 2.02 0.03 -0.28 117.35 116.09 2b5x s TYR 114 Ca -0.02 0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.76 2b5x s TYR 114 Cb 0.01 -0.10 0.03 0.00 -0.40 0.00 0.00 41.96 41.50 2b5x s TYR 114 CO -0.06 -0.05 0.02 0.71 -1.57 0.00 0.00 175.55 174.60 2b5x s TYR 115 N 0.51 0.50 -0.17 2.71 1.51 -0.25 -1.67 117.35 120.49 2b5x s TYR 115 Ca -0.04 -0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 55.94 2b5x s TYR 115 Cb -0.06 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2b5x s TYR 115 CO -0.02 -0.29 -0.06 0.08 -1.11 0.00 0.00 175.55 174.16 2b5x s VAL 116 N 2.00 3.48 -0.01 0.71 1.01 -0.11 -1.49 120.40 125.99 2b5x s VAL 116 Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2b5x s VAL 116 Cb -0.12 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2b5x s VAL 116 CO -0.05 0.47 -0.23 -0.36 0.00 0.00 0.00 175.10 174.94 2b5x s PHE 117 N 0.79 2.05 1.05 5.22 0.40 0.29 -0.35 117.98 127.43 2b5x s PHE 117 Ca -0.02 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 2b5x s PHE 117 Cb -0.15 -1.31 0.22 0.00 0.51 0.00 0.00 43.02 42.29 2b5x s PHE 117 CO 0.02 -0.02 1.07 0.34 0.70 0.00 0.00 175.22 177.32 2b5x s ASP 118 N -0.59 1.98 0.27 1.36 -1.08 -0.52 -1.08 116.67 117.01 2b5x s ASP 118 Ca 0.09 1.58 0.16 0.00 -0.52 0.00 0.00 52.55 53.86 2b5x s ASP 118 Cb -0.09 -2.26 0.89 0.00 -1.46 0.00 0.00 42.92 40.00 2b5x s ASP 118 CO -0.01 -3.59 1.47 2.29 0.52 0.00 0.00 175.17 175.86 2b5x n LYS 119 N -4.51 0.11 0.13 4.34 2.85 -1.26 -0.62 118.16 119.19 2b5x n LYS 119 Ca 0.06 0.59 0.04 0.00 -1.05 0.00 0.00 58.31 57.95 2b5x n LYS 119 Cb 0.54 -1.92 0.02 0.00 -0.65 0.00 0.00 35.03 33.03 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 0.60 0.00 0.58 1.35 -1.90 -1.07 112.91 112.47 2b5x h THR 120 Ca 0.00 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 2b5x h THR 120 Cb 0.13 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2b5x h THR 120 CO 0.00 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2b5x n GLY 121 N 1.23 0.83 3.67 5.82 0.00 0.21 -4.88 105.19 112.07 2b5x n GLY 121 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.68 4.24 -0.48 1.61 -2.07 -1.26 -0.56 119.66 120.47 2b5x s GLN 122 Ca 0.00 1.93 -0.27 0.00 -1.82 0.00 0.00 55.36 55.21 2b5x s GLN 122 Cb 0.00 -3.74 -0.05 0.00 -1.09 0.00 0.00 33.01 28.13 2b5x s GLN 122 CO 0.00 -0.68 2.21 -1.17 -1.32 0.00 0.00 175.29 174.33 2b5x s LEU 123 N 3.15 3.39 0.01 2.60 2.96 0.04 -1.43 118.68 129.39 2b5x s LEU 123 Ca 0.64 1.01 -0.21 0.00 -0.22 0.00 0.00 54.13 55.34 2b5x s LEU 123 Cb -0.29 -2.69 -0.18 0.00 0.50 0.00 0.00 46.19 43.52 2b5x s LEU 123 CO 0.24 -2.58 1.22 0.03 -1.32 0.00 0.00 176.35 173.94 2b5x h ARG 124 N 17.50 0.34 -3.03 1.98 2.47 -1.04 0.27 114.38 132.87 2b5x h ARG 124 Ca -0.27 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.18 2b5x h ARG 124 Cb 1.23 0.04 -0.12 0.00 -1.65 0.00 0.00 29.97 29.48 2b5x h ARG 124 CO 1.14 0.87 0.19 -1.58 0.56 0.00 0.00 179.97 181.15 2b5x s HIS 125 N -3.80 -0.50 0.01 3.04 2.46 -1.05 -4.68 115.29 110.77 2b5x s HIS 125 Ca -0.14 0.27 -0.03 0.00 0.47 0.00 0.00 55.06 55.63 2b5x s HIS 125 Cb 0.04 0.55 -0.01 0.00 -0.13 0.00 0.00 32.58 33.03 2b5x s HIS 125 CO 0.77 -0.86 0.04 0.12 -2.47 0.00 0.00 174.74 172.34 2b5x s PHE 126 N -3.76 0.14 0.19 3.88 5.36 -1.26 -0.94 117.98 121.59 2b5x s PHE 126 Ca 0.02 -0.29 -0.07 0.00 -0.96 0.00 0.00 56.93 55.63 2b5x s PHE 126 Cb -0.01 -0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.54 2b5x s PHE 126 CO -0.12 -0.20 0.26 -0.65 -1.46 0.00 0.00 175.22 173.05 2b5x s GLN 127 N -1.22 1.23 0.05 10.12 -1.52 -0.67 -5.02 119.66 122.64 2b5x s GLN 127 Ca -0.13 -1.36 -0.07 0.00 -1.95 0.00 0.00 55.36 51.85 2b5x s GLN 127 Cb -0.08 0.35 -0.01 0.00 -0.22 0.00 0.00 33.01 33.05 2b5x s GLN 127 CO 0.00 -0.44 0.13 0.00 -0.25 0.00 0.00 175.29 174.73 2b5x s ALA 128 N -4.04 -0.11 -1.25 6.09 0.00 -1.26 -0.79 121.76 120.39 2b5x s ALA 128 Ca 0.26 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 2b5x s ALA 128 Cb 0.04 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 2b5x s ALA 128 CO 0.06 -0.39 0.79 0.41 0.00 0.00 0.00 175.76 176.62 2b5x n GLY 129 N 0.42 -0.42 3.52 0.00 0.00 -0.23 -4.99 105.19 103.49 2b5x n GLY 129 Ca -0.17 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.23 1.74 -0.36 -0.02 0.00 -1.26 -5.04 107.32 98.14 2b5x s GLY 130 Ca 0.07 -0.81 -0.34 0.00 0.00 0.00 0.00 44.72 43.64 2b5x s GLY 130 CO 0.79 -0.12 2.23 1.44 0.00 0.00 0.00 173.10 177.44 2b5x n SER 131 N 3.39 2.20 -2.27 1.64 7.64 -1.26 -1.85 113.62 123.11 2b5x n SER 131 Ca -0.17 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 59.90 2b5x n SER 131 Cb 0.53 -1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 62.41 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 6.43 -0.23 1.99 0.23 0.00 -1.26 -1.24 105.19 111.10 2b5x n GLY 132 Ca 0.41 0.00 -0.12 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 -2.66 -1.35 0.20 1.61 0.00 -0.77 -4.70 117.12 109.44 2b5x n MET 133 Ca -0.15 0.72 0.05 0.00 0.00 0.00 0.00 57.70 58.31 2b5x n MET 133 Cb 0.59 -4.98 0.44 0.00 0.00 0.00 0.00 33.22 29.26 2b5x n MET 133 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2b5x h LYS 134 N 0.00 0.00 -0.12 0.03 1.79 -1.43 -1.72 116.57 115.12 2b5x h LYS 134 Ca -0.26 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.02 2b5x h LYS 134 Cb 0.84 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2b5x h LYS 134 CO 0.37 0.30 -0.71 1.98 -1.08 0.00 0.00 179.45 180.31 2b5x h MET 135 N 0.00 0.56 -0.31 3.15 4.05 -1.89 -3.30 114.93 117.19 2b5x h MET 135 Ca -0.00 -0.44 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 2b5x h MET 135 Cb 0.56 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 2b5x h MET 135 CO 0.04 1.06 0.20 1.25 0.23 0.00 0.00 176.91 179.69 2b5x h LEU 136 N 0.39 0.36 -1.01 3.39 5.85 -1.70 -0.54 115.31 122.06 2b5x h LEU 136 Ca -0.03 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.81 2b5x h LEU 136 Cb 1.30 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 2b5x h LEU 136 CO 0.13 0.27 0.63 -0.08 -0.34 0.00 0.00 178.44 179.05 2b5x h GLU 137 N 0.43 0.92 -0.39 1.25 4.81 -1.59 0.46 114.58 120.46 2b5x h GLU 137 Ca 0.11 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2b5x h GLU 137 Cb -0.04 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2b5x h GLU 137 CO -0.02 0.61 -0.07 0.87 -0.73 0.00 0.00 179.01 179.67 2b5x h LYS 138 N 0.95 0.74 -0.35 1.92 1.79 -1.27 -1.58 116.57 118.76 2b5x h LYS 138 Ca 0.52 -0.27 -0.05 0.00 -2.18 0.00 0.00 60.65 58.67 2b5x h LYS 138 Cb 0.58 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2b5x h LYS 138 CO -0.29 0.86 0.03 -0.09 -1.08 0.00 0.00 179.45 178.88 2b5x h ARG 139 N 0.55 0.60 -0.53 3.15 9.65 -1.13 -0.25 114.38 126.41 2b5x h ARG 139 Ca 0.10 -0.18 0.02 0.00 -1.10 0.00 0.00 59.98 58.83 2b5x h ARG 139 Cb 0.57 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.06 2b5x h ARG 139 CO 0.03 0.70 0.32 0.28 2.80 0.00 0.00 179.97 184.10 2b5x h VAL 140 N 0.43 1.06 -0.42 0.20 2.07 -0.94 -0.08 116.25 118.57 2b5x h VAL 140 Ca 0.10 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2b5x h VAL 140 Cb 0.40 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2b5x h VAL 140 CO 0.01 0.12 -0.08 0.78 0.02 0.00 0.00 177.57 178.42 2b5x h ASN 141 N 0.64 0.71 0.02 0.57 2.35 -0.86 0.32 115.58 119.32 2b5x h ASN 141 Ca 0.21 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2b5x h ASN 141 Cb 0.02 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2b5x h ASN 141 CO -0.09 0.82 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.40 2b5x h ARG 142 N 0.67 -0.04 -0.19 0.81 9.65 -0.72 -1.35 114.38 123.21 2b5x h ARG 142 Ca 0.12 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 2b5x h ARG 142 Cb 0.53 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 2b5x h ARG 142 CO 0.03 -0.03 0.08 0.28 2.80 0.00 0.00 179.97 183.13 2b5x h VAL 143 N -0.04 1.08 -0.07 0.20 2.07 -0.11 0.11 116.25 119.49 2b5x h VAL 143 Ca 0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2b5x h VAL 143 Cb 0.04 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2b5x h VAL 143 CO -0.01 0.09 0.03 -0.07 0.02 0.00 0.00 177.57 177.63 2b5x h LEU 144 N 0.26 0.10 -1.84 2.57 3.38 -0.71 -2.83 115.31 116.24 2b5x h LEU 144 Ca 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2b5x h LEU 144 Cb 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2b5x h LEU 144 CO -0.01 0.25 0.04 0.00 0.09 0.00 0.00 178.44 178.82 2b5x h ALA 145 N 0.86 1.88 0.00 1.53 0.00 0.01 -0.09 119.26 123.45 2b5x h ALA 145 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b5x h ALA 145 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2b5x h ALA 145 CO -0.00 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.74 2b5x n GLU 146 N -4.49 0.11 -0.30 0.00 -0.58 0.25 -3.85 120.64 111.77 2b5x n GLU 146 Ca -0.01 0.32 0.02 0.00 -0.42 0.00 0.00 57.16 57.06 2b5x n GLU 146 Cb 0.10 -1.70 0.02 0.00 -0.57 0.00 0.00 31.44 29.30 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 -1.90 0.35 -0.90 2.62 5.66 -0.14 -5.07 114.28 114.89 2b5x n THR 147 Ca 0.03 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2b5x n THR 147 Cb 0.23 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 2b5x n THR 147 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23