#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 3.72 0.81 0.03 1.02 -1.26 -5.10 119.74 118.97 2b5x s LYS 2 Ca 0.00 0.16 -0.11 0.00 0.02 0.00 0.00 55.97 56.04 2b5x s LYS 2 Cb 0.00 -2.64 0.08 0.00 -0.52 0.00 0.00 37.83 34.75 2b5x s LYS 2 CO 0.00 0.26 1.09 -0.51 -0.92 0.00 0.00 175.35 175.27 2b5x s LEU 3 N -3.18 2.70 -0.07 3.17 1.43 -1.26 -3.53 118.68 117.94 2b5x s LEU 3 Ca 0.46 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 2b5x s LEU 3 Cb -0.11 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.90 2b5x s LEU 3 CO 0.26 -2.18 0.00 0.54 0.23 0.00 0.00 176.35 175.19 2b5x n ARG 4 N -3.60 -1.65 -2.17 1.70 5.12 0.68 -4.96 116.66 111.78 2b5x n ARG 4 Ca 0.08 0.44 -0.40 0.00 -1.93 0.00 0.00 57.85 56.04 2b5x n ARG 4 Cb 0.54 -4.69 -0.02 0.00 -1.16 0.00 0.00 32.46 27.13 2b5x n ARG 4 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2b5x s GLN 5 N -1.74 4.18 0.58 5.56 -0.21 -1.23 -4.61 119.66 122.19 2b5x s GLN 5 Ca 0.00 2.07 -0.16 0.00 0.02 0.00 0.00 55.36 57.30 2b5x s GLN 5 Cb 0.00 -2.88 -0.05 0.00 1.00 0.00 0.00 33.01 31.08 2b5x s GLN 5 CO 0.00 -0.29 1.04 -1.25 -2.12 0.00 0.00 175.29 172.67 2b5x s PRO 6 N -2.03 3.47 -0.35 2.91 0.04 -1.26 -0.07 135.00 137.70 2b5x s PRO 6 Ca 0.53 1.14 -0.41 0.00 0.04 0.00 0.00 61.00 62.30 2b5x s PRO 6 Cb -0.36 -2.06 -0.16 0.00 0.04 0.00 0.00 34.50 31.96 2b5x s PRO 6 CO 0.47 -0.68 1.79 -1.33 0.04 0.00 0.00 177.00 177.29 2b5x n MET 7 N -1.93 0.83 0.00 4.56 2.81 -0.19 -4.87 117.12 118.33 2b5x n MET 7 Ca 0.08 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 2b5x n MET 7 Cb 0.53 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 5.57 0.00 -3.64 0.03 -0.04 -1.26 -5.00 135.00 130.66 2b5x n PRO 8 Ca 0.31 0.39 -0.04 0.00 -0.04 0.00 0.00 63.50 64.11 2b5x n PRO 8 Cb 0.09 -0.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 2b5x n PRO 8 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2b5x s GLU 9 N -0.78 0.63 -0.38 0.54 -1.05 -1.26 -5.08 118.70 111.31 2b5x s GLU 9 Ca 0.00 1.25 0.01 0.00 -0.15 0.00 0.00 54.97 56.08 2b5x s GLU 9 Cb 0.00 0.38 0.15 0.00 -0.44 0.00 0.00 34.13 34.22 2b5x s GLU 9 CO 0.00 -0.16 0.25 -0.51 0.95 0.00 0.00 175.26 175.79 2b5x s LEU 10 N 2.05 1.30 0.02 1.83 1.43 -1.26 -4.14 118.68 119.91 2b5x s LEU 10 Ca -0.08 -2.47 -0.28 0.00 -1.03 0.00 0.00 54.13 50.27 2b5x s LEU 10 Cb -0.07 -0.49 0.08 0.00 0.03 0.00 0.00 46.19 45.74 2b5x s LEU 10 CO -0.19 -0.27 0.71 0.28 0.23 0.00 0.00 176.35 177.11 2b5x s THR 11 N 0.72 0.00 -0.07 5.49 -1.32 -1.26 -4.64 115.64 114.56 2b5x s THR 11 Ca 0.22 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.39 2b5x s THR 11 Cb -0.16 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.94 2b5x s THR 11 CO -0.04 0.00 1.37 -0.83 -2.21 0.00 0.00 174.62 172.90 2b5x s GLY 12 N -1.93 -0.31 0.00 6.08 0.00 -1.26 -4.06 107.32 105.83 2b5x s GLY 12 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.13 2b5x s GLY 12 CO -0.02 3.84 0.00 -2.21 0.00 0.00 0.00 173.10 174.71 2b5x n GLU 13 N -0.76 3.59 -0.09 2.90 2.13 -1.25 -4.92 120.64 122.23 2b5x n GLU 13 Ca -0.01 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.71 2b5x n GLU 13 Cb 0.61 -0.60 -0.03 0.00 0.27 0.00 0.00 31.44 31.69 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 0.45 -3.04 5.31 3.64 -1.79 -3.46 116.57 117.68 2b5x h LYS 14 Ca 0.00 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2b5x h LYS 14 Cb 0.06 -0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 31.68 2b5x h LYS 14 CO 0.00 0.51 0.09 0.00 -2.27 0.00 0.00 179.45 177.78 2b5x s ALA 15 N -5.39 -1.36 -0.01 5.00 0.00 -0.63 -4.96 121.76 114.41 2b5x s ALA 15 Ca -0.13 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2b5x s ALA 15 Cb 0.08 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2b5x s ALA 15 CO 0.74 -0.67 0.02 1.67 0.00 0.00 0.00 175.76 177.51 2b5x s TRP 16 N -3.44 0.05 -0.12 0.00 1.48 -1.26 -0.71 118.94 114.94 2b5x s TRP 16 Ca 0.00 0.07 0.00 0.00 -1.06 0.00 0.00 56.10 55.12 2b5x s TRP 16 Cb -0.00 -0.17 0.02 0.00 -1.16 0.00 0.00 33.47 32.16 2b5x s TRP 16 CO -0.10 -0.06 -0.10 -0.51 -4.06 0.00 0.00 176.95 172.12 2b5x s LEU 17 N 0.70 1.39 0.00 -4.66 1.43 0.23 -4.69 118.68 113.07 2b5x s LEU 17 Ca -0.06 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2b5x s LEU 17 Cb -0.09 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.19 2b5x s LEU 17 CO -0.02 -0.08 0.00 0.59 0.23 0.00 0.00 176.35 177.07 2b5x n ASN 18 N 4.76 0.00 0.00 2.29 3.02 -1.26 -1.44 115.26 122.63 2b5x n ASN 18 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2b5x n ASN 18 Cb 0.50 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 0.22 3.07 7.41 0.00 -1.26 -4.82 105.19 109.81 2b5x n GLY 19 Ca 0.00 -1.23 -0.08 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 -2.00 0.55 -0.08 1.61 4.04 -1.26 -1.77 118.70 119.79 2b5x s GLU 20 Ca 0.00 -1.06 -0.05 0.00 0.04 0.00 0.00 54.97 53.90 2b5x s GLU 20 Cb 0.00 0.19 0.04 0.00 0.02 0.00 0.00 34.13 34.38 2b5x s GLU 20 CO 0.00 -0.10 0.20 0.08 -1.84 0.00 0.00 175.26 173.59 2b5x s VAL 21 N -3.33 -0.04 0.73 1.83 1.01 -1.26 -5.05 120.40 114.28 2b5x s VAL 21 Ca 0.01 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2b5x s VAL 21 Cb 0.04 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.13 2b5x s VAL 21 CO -0.08 0.05 1.07 0.42 0.00 0.00 0.00 175.10 176.57 2b5x s THR 22 N 1.00 3.70 0.28 3.92 -4.23 -1.26 -4.91 115.64 114.14 2b5x s THR 22 Ca -0.07 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2b5x s THR 22 Cb -0.09 -3.18 0.26 0.00 1.34 0.00 0.00 72.50 70.83 2b5x s THR 22 CO -0.06 -0.71 1.73 0.08 -0.54 0.00 0.00 174.62 175.12 2b5x h ARG 23 N -0.86 0.50 0.00 3.99 0.11 -1.96 -1.90 114.38 114.25 2b5x h ARG 23 Ca -0.44 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2b5x h ARG 23 Cb 1.22 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2b5x h ARG 23 CO 0.54 0.33 0.00 -0.85 0.10 0.00 0.00 179.97 180.09 2b5x n GLU 24 N -4.96 0.32 -0.07 0.08 0.28 -1.26 -0.84 120.64 114.19 2b5x n GLU 24 Ca 0.19 0.07 0.07 0.00 -0.16 0.00 0.00 57.16 57.33 2b5x n GLU 24 Cb 0.54 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 32.00 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 -1.29 1.52 -0.00 3.44 6.02 -0.74 -4.71 117.38 121.61 2b5x n GLN 25 Ca 0.11 -1.58 -0.02 0.00 -0.01 0.00 0.00 57.00 55.49 2b5x n GLN 25 Cb 0.19 -1.28 -0.01 0.00 1.02 0.00 0.00 30.24 30.16 2b5x n GLN 25 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2b5x n LEU 26 N 0.73 0.32 -4.96 1.08 7.94 -0.28 -4.91 117.00 116.93 2b5x n LEU 26 Ca 0.10 0.05 -0.25 0.00 -1.11 0.00 0.00 56.01 54.80 2b5x n LEU 26 Cb 0.37 -0.11 0.09 0.00 0.53 0.00 0.00 43.42 44.30 2b5x n LEU 26 CO 0.09 -0.07 0.58 0.27 -1.11 0.00 0.00 177.39 177.15 2b5x s ILE 27 N -2.05 2.27 0.00 1.96 -4.36 -0.02 -4.66 121.20 114.35 2b5x s ILE 27 Ca -0.03 -0.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.95 2b5x s ILE 27 Cb 0.01 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.86 2b5x s ILE 27 CO 0.04 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.83 2b5x n GLY 28 N -2.90 1.37 0.35 6.27 0.00 -0.21 -4.76 105.19 105.32 2b5x n GLY 28 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2b5x n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b5x n GLU 29 N 0.00 0.00 -4.10 1.61 2.13 -1.24 -5.00 120.64 114.04 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 -0.08 -0.12 0.00 0.27 0.00 0.00 31.44 31.51 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 -1.18 0.60 1.16 5.31 1.02 -1.26 -4.93 119.74 120.46 2b5x s LYS 30 Ca 0.00 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.08 2b5x s LYS 30 Cb 0.00 -0.43 0.28 0.00 -0.52 0.00 0.00 37.83 37.16 2b5x s LYS 30 CO 0.00 0.09 1.03 -1.25 -0.92 0.00 0.00 175.35 174.30 2b5x s PRO 31 N -1.55 -0.90 0.01 -1.68 0.04 -1.26 -4.20 135.00 125.46 2b5x s PRO 31 Ca -0.08 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 61.80 2b5x s PRO 31 Cb -0.10 -1.55 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 2b5x s PRO 31 CO 0.01 -3.72 0.03 0.99 0.04 0.00 0.00 177.00 174.35 2b5x s THR 32 N -2.47 0.08 -0.10 1.26 2.01 -0.62 -1.06 115.64 114.74 2b5x s THR 32 Ca 0.68 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2b5x s THR 32 Cb -0.25 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2b5x s THR 32 CO 0.64 -0.36 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.76 2b5x s LEU 33 N -1.13 2.07 -0.15 4.42 1.98 0.43 -0.41 118.68 125.89 2b5x s LEU 33 Ca -0.12 -0.56 -0.00 0.00 -2.89 0.00 0.00 54.13 50.56 2b5x s LEU 33 Cb -0.07 -1.39 -0.01 0.00 0.66 0.00 0.00 46.19 45.38 2b5x s LEU 33 CO -0.00 0.15 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.84 2b5x s ILE 34 N 0.41 2.87 0.27 6.68 1.01 -0.27 -1.40 121.20 130.76 2b5x s ILE 34 Ca -0.17 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 59.81 2b5x s ILE 34 Cb -0.18 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 2b5x s ILE 34 CO 0.07 0.51 0.42 -1.00 0.00 0.00 0.00 174.94 174.94 2b5x s HIS 35 N 0.70 3.45 -0.15 3.97 3.76 -0.54 -1.14 115.29 125.35 2b5x s HIS 35 Ca -0.06 0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 54.91 2b5x s HIS 35 Cb -0.15 -1.67 0.04 0.00 1.11 0.00 0.00 32.58 31.91 2b5x s HIS 35 CO 0.02 0.34 -0.00 0.12 -0.85 0.00 0.00 174.74 174.36 2b5x s PHE 36 N -2.08 1.13 0.30 1.40 2.19 0.07 -1.42 117.98 119.58 2b5x s PHE 36 Ca 0.36 -0.71 -0.10 0.00 0.33 0.00 0.00 56.93 56.81 2b5x s PHE 36 Cb -0.09 -1.05 0.01 0.00 -1.31 0.00 0.00 43.02 40.58 2b5x s PHE 36 CO 0.31 -0.52 0.53 1.67 1.83 0.00 0.00 175.22 179.04 2b5x s TRP 37 N 1.82 0.56 -0.03 10.12 1.48 -1.02 -0.27 118.94 131.61 2b5x s TRP 37 Ca 0.01 -0.93 -0.07 0.00 -1.06 0.00 0.00 56.10 54.06 2b5x s TRP 37 Cb -0.15 0.21 0.01 0.00 -1.16 0.00 0.00 33.47 32.38 2b5x s TRP 37 CO -0.07 -1.14 0.16 -1.12 -4.06 0.00 0.00 176.95 170.72 2b5x s SER 38 N -3.10 -0.07 0.42 -2.66 0.01 -1.26 -0.35 113.70 106.68 2b5x s SER 38 Ca 0.24 0.05 0.21 0.00 1.31 0.00 0.00 55.95 57.76 2b5x s SER 38 Cb -0.01 0.28 0.88 0.00 0.21 0.00 0.00 66.02 67.38 2b5x s SER 38 CO 0.13 -0.24 1.82 0.16 0.41 0.00 0.00 173.24 175.52 2b5x h ILE 39 N 4.50 0.75 0.00 1.44 3.07 -1.91 -3.32 117.51 122.04 2b5x h ILE 39 Ca -0.28 -1.21 0.00 0.00 1.55 0.00 0.00 64.86 64.91 2b5x h ILE 39 Cb 1.19 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 39.51 2b5x h ILE 39 CO 0.40 0.28 0.00 -1.20 -1.05 0.00 0.00 178.15 176.58 2b5x n SER 40 N -3.54 0.00 -4.34 2.16 7.64 -1.26 -4.73 113.62 109.55 2b5x n SER 40 Ca -0.00 -1.14 -0.33 0.00 1.01 0.00 0.00 58.87 58.41 2b5x n SER 40 Cb 0.43 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.48 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 6.56 1.19 -0.34 0.00 2.07 -1.92 -1.92 115.15 120.79 2b5x h HIS 42 Ca -0.26 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.24 2b5x h HIS 42 Cb 1.21 -0.40 -0.02 0.00 2.57 0.00 0.00 27.41 30.78 2b5x h HIS 42 CO 0.49 0.77 0.04 1.25 -3.07 0.00 0.00 177.93 177.40 2b5x h LEU 43 N 1.27 0.48 -0.52 6.12 7.12 -1.96 0.47 115.31 128.29 2b5x h LEU 43 Ca 0.34 -0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.31 2b5x h LEU 43 Cb -0.11 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 39.86 2b5x h LEU 43 CO -0.07 0.52 0.28 0.00 -0.13 0.00 0.00 178.44 179.04 2b5x h LYS 45 N 0.54 0.00 0.10 0.00 1.79 -0.68 0.24 116.57 118.56 2b5x h LYS 45 Ca 0.22 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.33 2b5x h LYS 45 Cb 0.11 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 2b5x h LYS 45 CO -0.14 0.00 -2.04 0.39 -1.08 0.00 0.00 179.45 176.58 2b5x n GLU 46 N -2.32 0.73 -0.17 3.15 1.02 -0.93 -4.14 120.64 117.99 2b5x n GLU 46 Ca 0.01 0.25 -0.05 0.00 -0.02 0.00 0.00 57.16 57.35 2b5x n GLU 46 Cb 0.20 -1.69 0.05 0.00 -0.02 0.00 0.00 31.44 29.98 2b5x n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b5x h ALA 47 N 0.17 0.67 -0.44 0.62 0.00 -0.49 -3.00 119.26 116.80 2b5x h ALA 47 Ca -0.43 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2b5x h ALA 47 Cb 2.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 2b5x h ALA 47 CO 0.07 -0.02 0.19 0.52 0.00 0.00 0.00 179.25 180.01 2b5x h MET 48 N 0.58 0.38 -0.76 0.00 2.86 -0.69 0.56 114.93 117.85 2b5x h MET 48 Ca 0.22 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2b5x h MET 48 Cb 0.07 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 2b5x h MET 48 CO -0.12 0.25 0.37 -1.00 1.06 0.00 0.00 176.91 177.47 2b5x h PRO 49 N 0.39 1.08 -0.13 -0.22 0.13 -1.72 -1.58 132.00 129.95 2b5x h PRO 49 Ca 0.20 -0.15 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 2b5x h PRO 49 Cb 0.14 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.06 2b5x h PRO 49 CO -0.17 0.83 -0.39 0.37 -0.23 0.00 0.00 178.00 178.42 2b5x h GLN 50 N 1.08 0.27 -0.96 0.86 -0.00 -0.70 -2.09 115.11 113.56 2b5x h GLN 50 Ca 0.26 -0.13 0.07 0.00 -0.00 0.00 0.00 58.65 58.86 2b5x h GLN 50 Cb 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.51 2b5x h GLN 50 CO -0.03 0.63 0.62 0.28 0.00 0.00 0.00 178.83 180.32 2b5x h VAL 51 N 0.23 1.06 0.05 2.39 2.07 0.39 0.19 116.25 122.64 2b5x h VAL 51 Ca 0.02 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2b5x h VAL 51 Cb 0.80 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2b5x h VAL 51 CO 0.06 0.20 -0.12 -1.13 0.02 0.00 0.00 177.57 176.60 2b5x h ASN 52 N 1.09 -0.34 0.96 0.57 -1.24 -0.60 0.47 115.58 116.49 2b5x h ASN 52 Ca 0.42 0.04 -0.20 0.00 0.71 0.00 0.00 56.30 57.28 2b5x h ASN 52 Cb 0.22 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 2b5x h ASN 52 CO -0.17 -0.18 -0.93 1.05 -1.29 0.00 0.00 177.43 175.91 2b5x h GLU 53 N -0.23 0.00 -0.56 6.67 4.11 -1.14 -2.57 114.58 120.86 2b5x h GLU 53 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 2b5x h GLU 53 Cb 0.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2b5x h GLU 53 CO -0.08 0.93 0.28 0.35 0.07 0.00 0.00 179.01 180.56 2b5x h PHE 54 N 0.00 0.79 -0.25 2.06 3.57 -0.56 0.14 116.94 122.68 2b5x h PHE 54 Ca -0.01 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 2b5x h PHE 54 Cb 1.67 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 2b5x h PHE 54 CO 0.00 0.59 0.04 -0.09 -2.23 0.00 0.00 178.31 176.62 2b5x h ARG 55 N 0.75 0.13 -0.35 1.11 1.12 -0.84 -2.63 114.38 113.67 2b5x h ARG 55 Ca 0.19 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.92 2b5x h ARG 55 Cb 0.09 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.01 2b5x h ARG 55 CO -0.03 0.09 -0.31 0.22 -3.11 0.00 0.00 179.97 176.83 2b5x h ASP 56 N 0.13 0.87 -0.30 -3.80 3.58 -0.92 0.12 116.42 116.10 2b5x h ASP 56 Ca 0.11 -0.46 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 2b5x h ASP 56 Cb 0.12 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2b5x h ASP 56 CO -0.16 1.15 0.18 0.11 -2.88 0.00 0.00 179.24 177.64 2b5x h LYS 57 N 0.61 0.43 0.00 0.28 1.57 -0.68 -3.31 116.57 115.47 2b5x h LYS 57 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2b5x h LYS 57 Cb 0.88 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2b5x h LYS 57 CO 0.08 0.31 0.00 0.66 -0.57 0.00 0.00 179.45 179.93 2b5x n TYR 58 N -4.46 0.00 0.23 -1.35 4.01 -1.00 -4.80 117.16 109.79 2b5x n TYR 58 Ca 0.02 -0.10 0.18 0.00 -0.16 0.00 0.00 57.90 57.83 2b5x n TYR 58 Cb 0.09 -0.01 0.84 0.00 -0.31 0.00 0.00 39.34 39.95 2b5x n TYR 58 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 2b5x h GLN 59 N 0.00 0.00 -0.00 -0.72 -0.00 -0.85 0.53 115.11 114.07 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 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 2b5x h GLN 59 CO 0.00 0.00 -0.06 -3.47 -0.00 0.00 0.00 178.83 175.30 2b5x n ASP 60 N -3.38 0.14 0.00 0.06 2.03 -1.26 -4.29 116.55 109.85 2b5x n ASP 60 Ca 0.02 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2b5x n ASP 60 Cb 0.41 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.28 3.25 -3.55 -0.67 6.02 -0.09 -5.06 117.38 116.00 2b5x n GLN 61 Ca 0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.97 2b5x n GLN 61 Cb 0.28 -0.27 -0.12 0.00 1.02 0.00 0.00 30.24 31.15 2b5x n GLN 61 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2b5x s LEU 62 N 0.00 -0.32 0.24 1.08 1.98 -0.02 -4.04 118.68 117.61 2b5x s LEU 62 Ca 0.00 0.28 -0.30 0.00 -2.89 0.00 0.00 54.13 51.22 2b5x s LEU 62 Cb 0.00 0.70 -0.09 0.00 0.66 0.00 0.00 46.19 47.46 2b5x s LEU 62 CO 0.00 -0.28 1.24 0.20 -1.89 0.00 0.00 176.35 175.62 2b5x s ASN 63 N 2.42 7.00 -0.03 3.68 0.01 -0.22 -4.04 114.94 123.76 2b5x s ASN 63 Ca 0.05 2.39 0.05 0.00 -0.71 0.00 0.00 52.86 54.64 2b5x s ASN 63 Cb -0.14 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 2b5x s ASN 63 CO -0.11 -0.41 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.20 2b5x s VAL 64 N -0.45 2.71 0.09 1.60 1.01 -1.26 -0.43 120.40 123.67 2b5x s VAL 64 Ca 0.52 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 2b5x s VAL 64 Cb -0.35 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2b5x s VAL 64 CO 0.41 0.56 0.30 0.54 0.00 0.00 0.00 175.10 176.92 2b5x s VAL 65 N -0.71 0.10 0.18 2.92 0.11 -0.49 -4.21 120.40 118.30 2b5x s VAL 65 Ca 0.11 -0.82 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2b5x s VAL 65 Cb -0.10 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 2b5x s VAL 65 CO 0.00 -0.45 0.12 0.00 -3.33 0.00 0.00 175.10 171.44 2b5x s ALA 66 N -3.57 1.02 -0.04 1.54 0.00 -0.85 -1.47 121.76 118.38 2b5x s ALA 66 Ca 0.02 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2b5x s ALA 66 Cb 0.02 1.22 0.03 0.00 0.00 0.00 0.00 23.12 24.39 2b5x s ALA 66 CO -0.10 -0.57 -0.01 0.08 0.00 0.00 0.00 175.76 175.16 2b5x s VAL 67 N -4.12 0.31 -0.46 0.00 1.01 -0.51 -2.17 120.40 114.47 2b5x s VAL 67 Ca 0.34 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 2b5x s VAL 67 Cb 0.07 -0.41 0.04 0.00 0.00 0.00 0.00 36.38 36.08 2b5x s VAL 67 CO 0.09 0.19 0.59 -2.28 0.00 0.00 0.00 175.10 173.69 2b5x s HIS 68 N 1.21 3.08 -0.02 5.22 2.46 -0.77 -2.43 115.29 124.05 2b5x s HIS 68 Ca -0.07 -0.30 -0.30 0.00 0.47 0.00 0.00 55.06 54.86 2b5x s HIS 68 Cb -0.13 -3.31 -0.05 0.00 -0.13 0.00 0.00 32.58 28.95 2b5x s HIS 68 CO -0.02 -0.89 1.47 1.41 -2.47 0.00 0.00 174.74 174.24 2b5x s MET 69 N 2.59 4.25 -1.01 2.88 1.75 0.53 -4.68 119.30 125.60 2b5x s MET 69 Ca 0.17 2.03 -0.08 0.00 -1.25 0.00 0.00 55.69 56.56 2b5x s MET 69 Cb -0.17 -3.68 -0.14 0.00 2.84 0.00 0.00 34.83 33.69 2b5x s MET 69 CO 0.15 -0.66 3.00 -0.35 -0.65 0.00 0.00 175.02 176.51 2b5x n PRO 70 N 5.87 2.91 0.22 4.11 -0.04 -1.26 -4.52 135.00 142.29 2b5x n PRO 70 Ca 0.14 -1.69 0.07 0.00 -0.04 0.00 0.00 63.50 61.98 2b5x n PRO 70 Cb 0.43 -2.48 0.58 0.00 -0.04 0.00 0.00 33.50 31.99 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 4.58 0.05 -4.31 0.54 2.43 -1.91 -3.45 114.38 112.31 2b5x h ARG 71 Ca 0.60 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.59 2b5x h ARG 71 Cb 0.63 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.04 2b5x h ARG 71 CO 1.24 0.09 -0.50 -1.12 -1.51 0.00 0.00 179.97 178.17 2b5x s SER 72 N -7.02 0.13 0.50 -3.80 0.01 -1.26 -5.02 113.70 97.24 2b5x s SER 72 Ca -0.05 -1.21 0.28 0.00 1.31 0.00 0.00 55.95 56.28 2b5x s SER 72 Cb 0.17 0.41 1.29 0.00 0.21 0.00 0.00 66.02 68.09 2b5x s SER 72 CO 0.68 -0.88 1.98 -0.33 0.41 0.00 0.00 173.24 175.11 2b5x h GLU 73 N 2.60 0.00 -0.06 12.44 5.08 -1.98 -0.56 114.58 132.10 2b5x h GLU 73 Ca -0.34 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 2b5x h GLU 73 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2b5x h GLU 73 CO 0.51 0.14 -0.40 -0.44 -1.00 0.00 0.00 179.01 177.81 2b5x h ASP 74 N 0.00 0.12 -0.10 1.42 3.32 -1.97 -2.96 116.42 116.26 2b5x h ASP 74 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2b5x h ASP 74 Cb 0.50 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2b5x h ASP 74 CO 0.02 0.52 0.00 0.47 -1.72 0.00 0.00 179.24 178.52 2b5x n ASP 75 N -4.05 1.20 -0.37 6.45 8.00 -0.24 -3.84 116.55 123.70 2b5x n ASP 75 Ca -0.02 -1.59 0.05 0.00 0.71 0.00 0.00 54.79 53.94 2b5x n ASP 75 Cb 0.45 -0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.53 2b5x n ASP 75 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2b5x n LEU 76 N -0.00 1.84 -4.31 0.64 7.94 -1.09 -4.10 117.00 117.92 2b5x n LEU 76 Ca 0.16 -1.08 -0.36 0.00 -1.11 0.00 0.00 56.01 53.63 2b5x n LEU 76 Cb 0.26 -0.02 -0.14 0.00 0.53 0.00 0.00 43.42 44.06 2b5x n LEU 76 CO 0.13 0.37 -0.35 -0.62 -1.11 0.00 0.00 177.39 175.81 2b5x s ASP 77 N -0.77 4.58 0.50 1.96 -1.08 -1.25 -5.01 116.67 115.59 2b5x s ASP 77 Ca 0.11 -0.56 0.29 0.00 -0.52 0.00 0.00 52.55 51.87 2b5x s ASP 77 Cb 0.08 -1.77 1.05 0.00 -1.46 0.00 0.00 42.92 40.81 2b5x s ASP 77 CO 0.11 -0.09 1.87 1.55 0.52 0.00 0.00 175.17 179.14 2b5x h PRO 78 N 8.13 0.00 -0.32 4.34 0.13 -1.91 -2.54 132.00 139.82 2b5x h PRO 78 Ca -0.37 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.61 2b5x h PRO 78 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2b5x h PRO 78 CO 0.60 0.08 -0.42 0.78 -0.23 0.00 0.00 178.00 178.80 2b5x h GLY 79 N 2.39 0.88 0.96 1.56 0.00 -1.98 0.07 103.07 106.95 2b5x h GLY 79 Ca -0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 2b5x h GLY 79 CO 0.01 0.82 0.15 0.50 0.00 0.00 0.00 176.54 178.02 2b5x h LYS 80 N 0.65 0.35 0.08 4.80 1.57 -1.80 -0.78 116.57 121.45 2b5x h LYS 80 Ca 0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2b5x h LYS 80 Cb 0.99 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2b5x h LYS 80 CO 0.09 0.29 -0.04 0.82 -0.57 0.00 0.00 179.45 180.05 2b5x h ILE 81 N 0.31 1.00 -0.32 1.86 2.04 -1.34 -0.60 117.51 120.46 2b5x h ILE 81 Ca 0.09 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.75 2b5x h ILE 81 Cb 0.04 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 2b5x h ILE 81 CO -0.02 0.07 -0.12 0.50 0.00 0.00 0.00 178.15 178.58 2b5x h LYS 82 N -0.23 -0.06 -0.54 2.37 3.64 -0.88 0.55 116.57 121.42 2b5x h LYS 82 Ca -0.01 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2b5x h LYS 82 Cb 0.19 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2b5x h LYS 82 CO 0.02 -0.04 -0.01 0.93 -2.27 0.00 0.00 179.45 178.07 2b5x h GLU 83 N -0.06 0.93 0.17 1.90 4.39 -0.97 -1.22 114.58 119.72 2b5x h GLU 83 Ca 0.16 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2b5x h GLU 83 Cb 0.31 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2b5x h GLU 83 CO -0.37 0.93 -0.08 1.15 -1.16 0.00 0.00 179.01 179.49 2b5x h THR 84 N 0.86 0.91 -0.46 1.13 2.02 -0.75 -3.11 112.91 113.51 2b5x h THR 84 Ca 0.16 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2b5x h THR 84 Cb 0.53 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2b5x h THR 84 CO 0.03 0.08 0.21 0.00 0.37 0.00 0.00 175.52 176.21 2b5x h ALA 85 N 0.41 1.50 -0.82 6.16 0.00 -0.69 -1.45 119.26 124.37 2b5x h ALA 85 Ca -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2b5x h ALA 85 Cb 0.31 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2b5x h ALA 85 CO 0.04 0.39 0.54 0.00 0.00 0.00 0.00 179.25 180.22 2b5x h ALA 86 N 1.58 1.58 0.11 0.00 0.00 -1.19 -0.73 119.26 120.60 2b5x h ALA 86 Ca 0.16 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 2b5x h ALA 86 Cb 0.09 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.66 2b5x h ALA 86 CO -0.02 0.31 -0.94 0.93 0.00 0.00 0.00 179.25 179.53 2b5x h GLU 87 N 0.93 0.45 0.00 0.00 4.39 -1.21 -3.14 114.58 116.00 2b5x h GLU 87 Ca 0.35 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2b5x h GLU 87 Cb 0.18 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2b5x h GLU 87 CO -0.12 1.26 0.00 0.72 -1.16 0.00 0.00 179.01 179.71 2b5x n HIS 88 N -4.02 0.00 -2.22 4.33 8.25 -0.92 -4.91 115.22 115.73 2b5x n HIS 88 Ca -0.13 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.14 2b5x n HIS 88 Cb 0.85 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 2b5x n HIS 88 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2b5x n ASP 89 N -1.25 -5.51 -4.55 0.41 2.03 -0.39 -4.27 116.55 103.02 2b5x n ASP 89 Ca 0.12 0.07 -0.34 0.00 0.52 0.00 0.00 54.79 55.17 2b5x n ASP 89 Cb 0.18 -4.58 -0.04 0.00 -0.72 0.00 0.00 41.12 35.96 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 -2.92 3.11 -0.24 5.18 1.01 -0.57 -4.62 121.20 122.16 2b5x s ILE 90 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.74 2b5x s ILE 90 Cb 0.00 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.11 2b5x s ILE 90 CO 0.00 -0.29 0.23 0.35 0.00 0.00 0.00 174.94 175.23 2b5x n THR 91 N 7.89 0.00 -0.84 2.92 -2.24 -1.26 -4.70 114.28 116.05 2b5x n THR 91 Ca 0.34 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 2b5x n THR 91 Cb 0.52 0.95 0.15 0.00 -2.10 0.00 0.00 70.33 69.85 2b5x n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b5x s GLN 92 N -1.60 1.25 0.46 -0.78 -2.07 -1.26 -4.84 119.66 110.81 2b5x s GLN 92 Ca 0.02 1.59 -0.25 0.00 -1.82 0.00 0.00 55.36 54.90 2b5x s GLN 92 Cb 0.04 -1.75 -0.08 0.00 -1.09 0.00 0.00 33.01 30.13 2b5x s GLN 92 CO 0.23 -2.47 1.41 -0.35 -1.32 0.00 0.00 175.29 172.79 2b5x n PRO 93 N -3.94 2.17 -3.82 9.60 -0.04 -1.26 -4.63 135.00 133.07 2b5x n PRO 93 Ca 0.12 0.77 -0.12 0.00 -0.04 0.00 0.00 63.50 64.23 2b5x n PRO 93 Cb 0.52 -2.60 -0.11 0.00 -0.04 0.00 0.00 33.50 31.27 2b5x n PRO 93 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2b5x s ILE 94 N -1.20 0.04 0.15 0.52 1.01 -0.52 -2.02 121.20 119.18 2b5x s ILE 94 Ca 0.62 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2b5x s ILE 94 Cb -0.45 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2b5x s ILE 94 CO 0.57 -0.19 -0.11 0.72 0.00 0.00 0.00 174.94 175.93 2b5x s PHE 95 N -0.71 1.30 0.05 3.97 -0.12 -0.92 -0.61 117.98 120.94 2b5x s PHE 95 Ca -0.08 -0.71 0.04 0.00 -0.05 0.00 0.00 56.93 56.12 2b5x s PHE 95 Cb -0.05 -0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 2b5x s PHE 95 CO 0.01 0.11 -0.11 0.08 -0.05 0.00 0.00 175.22 175.26 2b5x s VAL 96 N -3.11 0.81 0.05 -2.49 1.01 0.11 -1.85 120.40 114.93 2b5x s VAL 96 Ca 0.16 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 2b5x s VAL 96 Cb 0.01 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2b5x s VAL 96 CO 0.01 -0.21 0.29 -0.62 0.00 0.00 0.00 175.10 174.58 2b5x s ASP 97 N -1.40 -0.10 0.41 3.32 2.15 -1.26 -1.61 116.67 118.19 2b5x s ASP 97 Ca -0.04 -0.23 0.29 0.00 0.43 0.00 0.00 52.55 52.99 2b5x s ASP 97 Cb -0.09 0.36 1.15 0.00 -0.30 0.00 0.00 42.92 44.04 2b5x s ASP 97 CO 0.01 -0.63 1.85 0.28 -0.17 0.00 0.00 175.17 176.52 2b5x h SER 98 N 3.18 0.00 0.00 -0.34 0.02 -1.96 -3.37 113.55 111.07 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 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2b5x h SER 98 CO 0.47 0.00 -0.41 -0.67 -1.14 0.00 0.00 176.83 175.08 2b5x n ASP 99 N -2.71 1.94 -2.76 3.07 2.03 -1.26 -5.12 116.55 111.74 2b5x n ASP 99 Ca 0.02 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.29 2b5x n ASP 99 Cb 0.29 0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.32 -3.16 0.24 -0.67 8.25 -1.26 -4.71 115.22 112.58 2b5x n HIS 100 Ca 0.00 1.80 0.18 0.00 -0.26 0.00 0.00 57.72 59.43 2b5x n HIS 100 Cb 0.20 -3.09 0.88 0.00 1.12 0.00 0.00 29.99 29.11 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 4.28 1.64 -0.92 -1.41 0.00 -1.91 -0.35 119.26 120.59 2b5x h ALA 101 Ca -0.36 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2b5x h ALA 101 Cb 0.86 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2b5x h ALA 101 CO 0.01 -0.28 0.61 -0.07 0.00 0.00 0.00 179.25 179.52 2b5x h LEU 102 N 0.00 1.01 -2.57 0.00 4.07 -1.86 -2.81 115.31 113.16 2b5x h LEU 102 Ca 0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 2b5x h LEU 102 Cb 0.48 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2b5x h LEU 102 CO -0.00 0.70 -0.00 0.74 -1.08 0.00 0.00 178.44 178.80 2b5x h THR 103 N 1.18 0.42 0.00 0.22 2.02 -1.33 0.77 112.91 116.18 2b5x h THR 103 Ca 0.36 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.51 2b5x h THR 103 Cb -0.02 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2b5x h THR 103 CO -0.10 0.00 -0.09 -0.78 0.37 0.00 0.00 175.52 174.92 2b5x h ASP 104 N 0.00 0.00 0.00 4.18 3.58 -1.67 -0.14 116.42 122.36 2b5x h ASP 104 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b5x h ASP 104 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2b5x h ASP 104 CO 0.00 0.09 -1.52 0.00 -2.88 0.00 0.00 179.24 174.93 2b5x n ALA 105 N -2.13 2.50 0.01 -0.78 0.00 0.13 -4.65 120.51 115.59 2b5x n ALA 105 Ca 0.02 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.19 2b5x n ALA 105 Cb 0.45 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 2b5x n ALA 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2b5x n PHE 106 N -1.90 0.00 -4.28 0.00 3.01 0.22 -4.73 117.46 109.78 2b5x n PHE 106 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.11 2b5x n PHE 106 Cb 0.32 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.59 2b5x n PHE 106 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2b5x n GLU 107 N -1.68 -1.66 -1.55 -1.08 2.13 -0.07 -4.52 120.64 112.22 2b5x n GLU 107 Ca -0.01 0.20 -0.53 0.00 0.66 0.00 0.00 57.16 57.48 2b5x n GLU 107 Cb 0.15 -4.22 -0.06 0.00 0.27 0.00 0.00 31.44 27.58 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 -2.79 0.84 -1.73 4.31 2.85 -1.26 -4.91 115.26 112.58 2b5x n ASN 108 Ca -0.18 1.14 -0.01 0.00 -0.11 0.00 0.00 54.58 55.42 2b5x n ASN 108 Cb 0.62 -1.10 0.01 0.00 1.24 0.00 0.00 39.78 40.55 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 1.90 0.47 -3.57 1.20 2.13 -1.26 -5.12 120.64 116.38 2b5x n GLU 109 Ca 0.18 -1.85 -0.17 0.00 0.66 0.00 0.00 57.16 55.98 2b5x n GLU 109 Cb 0.18 -0.06 -0.06 0.00 0.27 0.00 0.00 31.44 31.76 2b5x n GLU 109 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2b5x s TYR 110 N -0.63 -0.55 -0.25 4.31 -0.85 -1.26 -5.17 117.35 112.96 2b5x s TYR 110 Ca 0.19 0.91 -0.26 0.00 -0.52 0.00 0.00 57.07 57.39 2b5x s TYR 110 Cb 0.27 0.34 0.12 0.00 0.38 0.00 0.00 41.96 43.07 2b5x s TYR 110 CO -0.09 -0.57 1.02 0.14 -1.52 0.00 0.00 175.55 174.53 2b5x s VAL 111 N -1.32 0.00 0.46 -3.49 -7.23 -1.26 -4.72 120.40 102.84 2b5x s VAL 111 Ca -0.11 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.85 2b5x s VAL 111 Cb -0.01 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 2b5x s VAL 111 CO 0.08 0.00 1.01 -2.16 -0.31 0.00 0.00 175.10 173.72 2b5x s PRO 112 N -0.10 3.97 0.05 4.82 0.04 -1.26 -4.81 135.00 137.72 2b5x s PRO 112 Ca 0.02 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 2b5x s PRO 112 Cb -0.04 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2b5x s PRO 112 CO -0.04 -0.27 -0.04 0.00 0.04 0.00 0.00 177.00 176.69 2b5x s ALA 113 N -1.99 0.55 -0.03 8.56 0.00 0.63 -0.81 121.76 128.67 2b5x s ALA 113 Ca 0.64 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 2b5x s ALA 113 Cb -0.15 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2b5x s ALA 113 CO 0.19 -0.33 0.09 0.71 0.00 0.00 0.00 175.76 176.42 2b5x s TYR 114 N -3.63 -0.10 -0.03 0.00 2.02 -0.06 -0.75 117.35 114.80 2b5x s TYR 114 Ca 0.06 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 2b5x s TYR 114 Cb 0.06 0.03 0.03 0.00 -0.40 0.00 0.00 41.96 41.67 2b5x s TYR 114 CO -0.08 -0.05 -0.00 0.71 -1.57 0.00 0.00 175.55 174.56 2b5x s TYR 115 N 0.06 0.33 -0.10 2.71 1.51 -0.29 -1.57 117.35 120.00 2b5x s TYR 115 Ca -0.00 -0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 2b5x s TYR 115 Cb -0.01 -0.40 -0.01 0.00 -0.11 0.00 0.00 41.96 41.43 2b5x s TYR 115 CO 0.00 -0.12 -0.19 0.08 -1.11 0.00 0.00 175.55 174.21 2b5x s VAL 116 N 0.95 2.57 0.01 0.71 1.01 -0.05 -1.12 120.40 124.48 2b5x s VAL 116 Ca -0.10 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2b5x s VAL 116 Cb -0.13 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2b5x s VAL 116 CO -0.02 0.55 -0.13 -0.36 0.00 0.00 0.00 175.10 175.15 2b5x s PHE 117 N 0.10 1.16 0.73 5.22 0.40 0.45 -0.28 117.98 125.76 2b5x s PHE 117 Ca -0.09 -0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 55.82 2b5x s PHE 117 Cb -0.15 -0.72 0.04 0.00 0.51 0.00 0.00 43.02 42.69 2b5x s PHE 117 CO 0.06 -0.00 1.24 0.34 0.70 0.00 0.00 175.22 177.56 2b5x s ASP 118 N -0.62 4.10 0.31 1.36 -1.08 -0.34 -1.59 116.67 118.81 2b5x s ASP 118 Ca 0.03 2.47 0.13 0.00 -0.52 0.00 0.00 52.55 54.66 2b5x s ASP 118 Cb -0.06 -2.60 0.69 0.00 -1.46 0.00 0.00 42.92 39.49 2b5x s ASP 118 CO 0.00 -2.34 1.28 2.29 0.52 0.00 0.00 175.17 176.93 2b5x n LYS 119 N -2.64 0.09 0.00 4.34 -0.00 -1.26 -1.05 118.16 117.64 2b5x n LYS 119 Ca 0.14 0.56 0.08 0.00 -0.00 0.00 0.00 58.31 59.10 2b5x n LYS 119 Cb 0.49 -2.08 -0.01 0.00 -0.00 0.00 0.00 35.03 33.44 2b5x n LYS 119 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2b5x n THR 120 N -2.03 0.00 0.00 0.58 5.66 -1.26 -1.04 114.28 116.19 2b5x n THR 120 Ca -0.01 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2b5x n THR 120 Cb 0.32 1.19 0.00 0.00 -1.55 0.00 0.00 70.33 70.29 2b5x n THR 120 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b5x n GLY 121 N 1.22 0.81 3.70 1.09 0.00 -0.21 -4.90 105.19 106.89 2b5x n GLY 121 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 4.46 0.13 1.61 -2.07 -1.26 -1.02 119.66 121.08 2b5x s GLN 122 Ca 0.00 1.57 -0.32 0.00 -1.82 0.00 0.00 55.36 54.79 2b5x s GLN 122 Cb 0.00 -3.45 -0.12 0.00 -1.09 0.00 0.00 33.01 28.35 2b5x s GLN 122 CO 0.00 -0.23 1.78 -0.11 -1.32 0.00 0.00 175.29 175.41 2b5x n LEU 123 N 4.31 3.85 -0.04 2.60 7.94 0.89 -1.20 117.00 135.36 2b5x n LEU 123 Ca 0.08 1.02 -0.04 0.00 -1.11 0.00 0.00 56.01 55.96 2b5x n LEU 123 Cb 0.48 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.86 2b5x n LEU 123 CO 0.54 0.09 -0.74 0.54 -1.11 0.00 0.00 177.39 176.71 2b5x n ARG 124 N 5.03 2.18 -3.49 1.96 5.12 0.61 -0.23 116.66 127.84 2b5x n ARG 124 Ca 0.18 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 56.00 2b5x n ARG 124 Cb 0.35 -1.18 -0.02 0.00 -1.16 0.00 0.00 32.46 30.45 2b5x n ARG 124 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2b5x s HIS 125 N -2.17 -0.45 -0.03 -1.55 2.46 -0.94 -4.88 115.29 107.73 2b5x s HIS 125 Ca -0.06 0.21 -0.07 0.00 0.47 0.00 0.00 55.06 55.61 2b5x s HIS 125 Cb 0.02 0.53 0.01 0.00 -0.13 0.00 0.00 32.58 33.01 2b5x s HIS 125 CO 0.26 -0.86 0.15 0.12 -2.47 0.00 0.00 174.74 171.94 2b5x s PHE 126 N -3.77 -0.06 0.15 3.88 5.36 -1.26 -0.87 117.98 121.41 2b5x s PHE 126 Ca 0.02 0.12 -0.07 0.00 -0.96 0.00 0.00 56.93 56.04 2b5x s PHE 126 Cb -0.01 0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.66 2b5x s PHE 126 CO -0.11 -0.20 0.23 -0.65 -1.46 0.00 0.00 175.22 173.03 2b5x s GLN 127 N -0.75 1.09 0.09 10.12 -1.52 -0.61 -5.02 119.66 123.06 2b5x s GLN 127 Ca -0.08 -1.20 -0.15 0.00 -1.95 0.00 0.00 55.36 51.97 2b5x s GLN 127 Cb -0.05 0.35 0.03 0.00 -0.22 0.00 0.00 33.01 33.12 2b5x s GLN 127 CO 0.01 -0.38 0.35 0.00 -0.25 0.00 0.00 175.29 175.02 2b5x s ALA 128 N -3.97 -0.80 -1.54 6.09 0.00 -1.26 -0.89 121.76 119.39 2b5x s ALA 128 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 2b5x s ALA 128 Cb 0.04 0.51 0.08 0.00 0.00 0.00 0.00 23.12 23.75 2b5x s ALA 128 CO -0.01 -0.54 0.66 0.41 0.00 0.00 0.00 175.76 176.28 2b5x n GLY 129 N 0.12 -0.35 3.72 0.00 0.00 0.01 -4.96 105.19 103.73 2b5x n GLY 129 Ca -0.17 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2b5x n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b5x s GLY 130 N -3.79 1.92 -0.37 -0.02 0.00 -1.26 -5.02 107.32 98.78 2b5x s GLY 130 Ca 0.39 -0.76 -0.34 0.00 0.00 0.00 0.00 44.72 44.01 2b5x s GLY 130 CO 0.89 -0.49 2.22 1.44 0.00 0.00 0.00 173.10 177.16 2b5x n SER 131 N 2.18 2.14 -2.20 1.64 7.64 -1.26 -1.21 113.62 122.55 2b5x n SER 131 Ca -0.19 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 59.92 2b5x n SER 131 Cb 0.54 -1.28 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 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 6.48 -0.14 1.99 0.23 0.00 -1.26 -1.50 105.19 111.00 2b5x n GLY 132 Ca 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.57 -1.59 0.28 1.61 0.00 -0.35 -4.77 117.12 109.73 2b5x n MET 133 Ca -0.14 0.56 0.15 0.00 0.00 0.00 0.00 57.70 58.27 2b5x n MET 133 Cb 0.56 -4.88 0.81 0.00 0.00 0.00 0.00 33.22 29.71 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 0.04 0.03 1.79 -1.51 -1.45 116.57 115.47 2b5x h LYS 134 Ca -0.22 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.09 2b5x h LYS 134 Cb 0.83 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.49 2b5x h LYS 134 CO 0.30 0.08 -0.67 1.98 -1.08 0.00 0.00 179.45 180.06 2b5x h MET 135 N 0.00 0.37 -0.58 3.15 4.05 -1.89 -3.33 114.93 116.71 2b5x h MET 135 Ca -0.00 -0.46 0.08 0.00 -0.28 0.00 0.00 59.70 59.04 2b5x h MET 135 Cb 0.29 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 2b5x h MET 135 CO 0.01 1.15 0.39 1.25 0.23 0.00 0.00 176.91 179.93 2b5x h LEU 136 N -0.19 0.39 -0.76 3.39 5.85 -1.68 0.10 115.31 122.41 2b5x h LEU 136 Ca -0.10 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.78 2b5x h LEU 136 Cb 1.41 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.27 2b5x h LEU 136 CO 0.13 0.24 0.27 -0.08 -0.34 0.00 0.00 178.44 178.66 2b5x h GLU 137 N 0.44 0.37 -0.40 1.25 4.81 -1.52 -0.14 114.58 119.39 2b5x h GLU 137 Ca 0.26 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 2b5x h GLU 137 Cb 0.45 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2b5x h GLU 137 CO -0.07 0.25 -0.32 0.87 -0.73 0.00 0.00 179.01 179.01 2b5x h LYS 138 N 0.38 0.92 -0.39 1.92 1.79 -0.95 -2.50 116.57 117.75 2b5x h LYS 138 Ca 0.43 -0.46 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 2b5x h LYS 138 Cb 0.69 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 2b5x h LYS 138 CO -0.45 1.11 -0.11 -0.09 -1.08 0.00 0.00 179.45 178.83 2b5x h ARG 139 N 0.74 0.68 -0.41 3.15 9.65 -0.78 0.37 114.38 127.79 2b5x h ARG 139 Ca 0.07 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2b5x h ARG 139 Cb 0.90 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 2b5x h ARG 139 CO 0.08 0.77 0.27 0.28 2.80 0.00 0.00 179.97 184.17 2b5x h VAL 140 N 0.62 1.11 -0.02 0.20 2.07 -1.02 0.15 116.25 119.36 2b5x h VAL 140 Ca 0.11 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2b5x h VAL 140 Cb 0.55 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2b5x h VAL 140 CO 0.03 0.10 -0.21 0.78 0.02 0.00 0.00 177.57 178.29 2b5x h ASN 141 N 0.55 0.02 0.09 0.57 2.35 -0.81 -0.64 115.58 117.72 2b5x h ASN 141 Ca 0.15 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.67 2b5x h ASN 141 Cb -0.06 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2b5x h ASN 141 CO -0.03 0.24 -0.87 -0.09 -1.65 0.00 0.00 177.43 175.03 2b5x h ARG 142 N 0.02 0.59 -0.59 0.81 9.65 -0.59 -1.27 114.38 123.00 2b5x h ARG 142 Ca 0.00 -0.55 -0.06 0.00 -1.10 0.00 0.00 59.98 58.27 2b5x h ARG 142 Cb 0.39 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 2b5x h ARG 142 CO 0.03 1.17 0.11 -0.24 2.80 0.00 0.00 179.97 183.84 2b5x h VAL 143 N 0.38 1.25 -0.21 0.20 3.04 0.34 -1.92 116.25 119.32 2b5x h VAL 143 Ca -0.07 -0.93 0.01 0.00 -1.01 0.00 0.00 66.70 64.70 2b5x h VAL 143 Cb 1.49 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 31.43 2b5x h VAL 143 CO 0.16 0.35 0.11 -0.07 -1.01 0.00 0.00 177.57 177.11 2b5x h LEU 144 N 0.89 0.17 0.00 3.16 3.38 -1.11 -0.63 115.31 121.17 2b5x h LEU 144 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2b5x h LEU 144 Cb 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2b5x h LEU 144 CO 0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.66 2b5x n ALA 145 N -2.19 1.74 -0.46 1.53 0.00 -0.49 -1.45 120.51 119.20 2b5x n ALA 145 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2b5x n ALA 145 Cb 0.05 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.05 0.82 -2.74 0.00 0.28 -0.78 -4.82 120.64 112.35 2b5x n GLU 146 Ca 0.05 -0.76 -0.05 0.00 -0.16 0.00 0.00 57.16 56.25 2b5x n GLU 146 Cb 0.03 -0.77 0.04 0.00 1.43 0.00 0.00 31.44 32.18 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 -0.17 1.06 -1.28 3.84 -1.04 -0.31 -5.06 114.28 111.31 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 0.27 0.97 0.00 0.00 -1.82 0.00 0.00 70.33 69.75 2b5x n THR 147 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64