#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 3.90 1.07 0.03 1.02 -1.26 -5.08 119.74 119.42 2b5x s LYS 2 Ca 0.00 1.27 -0.13 0.00 0.02 0.00 0.00 55.97 57.14 2b5x s LYS 2 Cb 0.00 -2.12 0.23 0.00 -0.52 0.00 0.00 37.83 35.42 2b5x s LYS 2 CO 0.00 -0.34 1.07 -0.51 -0.92 0.00 0.00 175.35 174.65 2b5x s LEU 3 N -3.48 1.25 0.00 3.17 1.43 -1.26 -4.01 118.68 115.78 2b5x s LEU 3 Ca 0.65 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2b5x s LEU 3 Cb -0.14 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2b5x s LEU 3 CO 0.19 -3.56 0.00 0.54 0.23 0.00 0.00 176.35 173.75 2b5x n ARG 4 N -4.47 -0.13 -2.22 1.70 1.74 0.70 -4.91 116.66 109.08 2b5x n ARG 4 Ca 0.04 0.03 -0.37 0.00 -0.77 0.00 0.00 57.85 56.78 2b5x n ARG 4 Cb 0.56 -4.07 -0.01 0.00 -1.02 0.00 0.00 32.46 27.93 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 -0.83 3.71 0.50 5.56 -0.21 -1.26 -4.49 119.66 122.65 2b5x s GLN 5 Ca 0.00 1.82 -0.21 0.00 0.02 0.00 0.00 55.36 56.99 2b5x s GLN 5 Cb 0.00 -2.40 -0.07 0.00 1.00 0.00 0.00 33.01 31.54 2b5x s GLN 5 CO 0.00 -0.60 1.12 -1.25 -2.12 0.00 0.00 175.29 172.44 2b5x s PRO 6 N -2.70 3.60 0.06 2.91 0.04 -1.26 -1.20 135.00 136.45 2b5x s PRO 6 Ca 0.64 1.63 -0.32 0.00 0.04 0.00 0.00 61.00 62.98 2b5x s PRO 6 Cb -0.30 -2.18 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 2b5x s PRO 6 CO 0.36 -0.65 1.81 0.00 0.04 0.00 0.00 177.00 178.56 2b5x n MET 7 N -0.91 2.51 0.00 4.56 0.00 -0.29 -4.92 117.12 118.07 2b5x n MET 7 Ca 0.09 0.91 0.00 0.00 0.00 0.00 0.00 57.70 58.71 2b5x n MET 7 Cb 0.50 -2.78 0.00 0.00 0.00 0.00 0.00 33.22 30.94 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 5.67 0.00 -2.47 3.17 -0.04 -1.26 -4.86 135.00 135.21 2b5x n PRO 8 Ca 0.19 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.24 2b5x n PRO 8 Cb 0.34 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.81 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 5.08 -2.21 0.54 -0.58 -1.26 -4.91 120.64 117.30 2b5x n GLU 9 Ca 0.00 -4.28 -0.32 0.00 -0.42 0.00 0.00 57.16 52.14 2b5x n GLU 9 Cb 0.00 -2.53 -0.04 0.00 -0.57 0.00 0.00 31.44 28.29 2b5x n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2b5x s LEU 10 N -3.44 3.26 0.16 -4.62 1.43 -1.26 -4.35 118.68 109.87 2b5x s LEU 10 Ca 0.43 -1.78 -0.16 0.00 -1.03 0.00 0.00 54.13 51.59 2b5x s LEU 10 Cb 0.17 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.83 2b5x s LEU 10 CO -0.10 -2.55 0.44 0.28 0.23 0.00 0.00 176.35 174.65 2b5x s THR 11 N 9.12 0.05 0.30 5.49 -1.32 -1.26 -4.52 115.64 123.50 2b5x s THR 11 Ca 0.64 -0.80 -0.19 0.00 -1.21 0.00 0.00 61.69 60.14 2b5x s THR 11 Cb 0.00 -1.46 0.05 0.00 -1.51 0.00 0.00 72.50 69.58 2b5x s THR 11 CO 0.10 -0.23 0.84 -0.83 -2.21 0.00 0.00 174.62 172.30 2b5x s GLY 12 N -2.86 0.17 0.00 6.08 0.00 -1.26 -4.82 107.32 104.64 2b5x s GLY 12 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2b5x s GLY 12 CO -0.06 0.29 0.00 1.18 0.00 0.00 0.00 173.10 174.51 2b5x n GLU 13 N -0.54 0.04 -0.21 2.90 1.02 -0.45 -4.94 120.64 118.46 2b5x n GLU 13 Ca -0.06 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.00 2b5x n GLU 13 Cb 0.60 -0.03 0.03 0.00 -0.02 0.00 0.00 31.44 32.01 2b5x n GLU 13 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2b5x h LYS 14 N 0.00 0.87 -2.86 3.49 3.64 -1.51 -3.46 116.57 116.74 2b5x h LYS 14 Ca 0.00 -0.16 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2b5x h LYS 14 Cb 0.00 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.61 2b5x h LYS 14 CO 0.00 0.75 0.28 0.00 -2.27 0.00 0.00 179.45 178.21 2b5x s ALA 15 N -5.55 -1.38 0.08 5.00 0.00 -1.19 -4.99 121.76 113.73 2b5x s ALA 15 Ca -0.13 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 2b5x s ALA 15 Cb 0.13 0.80 0.01 0.00 0.00 0.00 0.00 23.12 24.06 2b5x s ALA 15 CO 0.79 -0.98 0.27 1.67 0.00 0.00 0.00 175.76 177.51 2b5x s TRP 16 N -3.76 -0.01 -0.03 0.00 1.48 -1.26 -0.78 118.94 114.59 2b5x s TRP 16 Ca 0.09 -0.30 -0.01 0.00 -1.06 0.00 0.00 56.10 54.83 2b5x s TRP 16 Cb -0.04 0.06 0.03 0.00 -1.16 0.00 0.00 33.47 32.36 2b5x s TRP 16 CO 0.02 -0.56 0.04 -1.17 -4.06 0.00 0.00 176.95 171.22 2b5x s LEU 17 N -2.58 0.80 0.00 -4.66 1.98 0.07 -4.81 118.68 109.48 2b5x s LEU 17 Ca 0.01 0.05 0.00 0.00 -2.89 0.00 0.00 54.13 51.30 2b5x s LEU 17 Cb 0.02 -0.09 0.00 0.00 0.66 0.00 0.00 46.19 46.78 2b5x s LEU 17 CO -0.09 -0.16 0.00 0.59 -1.89 0.00 0.00 176.35 174.80 2b5x n ASN 18 N 4.52 0.00 0.00 3.68 3.02 -1.26 -1.43 115.26 123.78 2b5x n ASN 18 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 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 -0.19 3.09 7.41 0.00 -1.26 -4.87 105.19 109.37 2b5x n GLY 19 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 0.58 -0.05 1.61 4.04 -1.26 -2.94 118.70 118.67 2b5x s GLU 20 Ca 0.00 -1.04 -0.30 0.00 0.04 0.00 0.00 54.97 53.68 2b5x s GLU 20 Cb 0.00 0.21 0.09 0.00 0.02 0.00 0.00 34.13 34.44 2b5x s GLU 20 CO 0.00 -0.12 0.76 0.54 -1.84 0.00 0.00 175.26 174.60 2b5x s VAL 21 N -3.35 0.00 0.35 1.83 0.11 -1.26 -5.08 120.40 113.00 2b5x s VAL 21 Ca 0.02 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 2b5x s VAL 21 Cb 0.04 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2b5x s VAL 21 CO -0.08 0.00 0.30 0.42 -3.33 0.00 0.00 175.10 172.41 2b5x s THR 22 N -1.56 3.37 0.20 5.04 -4.23 -1.26 -4.79 115.64 112.40 2b5x s THR 22 Ca -0.07 -1.39 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 2b5x s THR 22 Cb -0.00 -3.14 0.17 0.00 1.34 0.00 0.00 72.50 70.86 2b5x s THR 22 CO 0.04 -0.15 1.66 0.08 -0.54 0.00 0.00 174.62 175.72 2b5x h ARG 23 N 1.24 0.06 0.00 3.99 0.11 -1.91 -1.66 114.38 116.21 2b5x h ARG 23 Ca -0.44 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2b5x h ARG 23 Cb 1.26 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2b5x h ARG 23 CO 0.59 0.04 0.00 -0.85 0.10 0.00 0.00 179.97 179.85 2b5x n GLU 24 N -5.31 0.01 -0.00 0.08 0.28 -1.26 -0.82 120.64 113.62 2b5x n GLU 24 Ca 0.06 0.31 0.09 0.00 -0.16 0.00 0.00 57.16 57.46 2b5x n GLU 24 Cb 0.30 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.55 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 -1.49 0.84 -0.10 3.44 6.02 -0.66 -4.66 117.38 120.78 2b5x n GLN 25 Ca 0.03 -0.06 -0.15 0.00 -0.01 0.00 0.00 57.00 56.81 2b5x n GLN 25 Cb 0.12 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.67 1.89 -4.90 1.08 7.94 0.00 -4.96 117.00 116.39 2b5x n LEU 26 Ca 0.01 0.44 -0.29 0.00 -1.11 0.00 0.00 56.01 55.07 2b5x n LEU 26 Cb 0.35 -0.85 0.02 0.00 0.53 0.00 0.00 43.42 43.47 2b5x n LEU 26 CO 0.38 -0.01 0.58 0.27 -1.11 0.00 0.00 177.39 177.50 2b5x s ILE 27 N -2.50 4.39 0.00 1.96 -4.36 -0.60 -4.49 121.20 115.59 2b5x s ILE 27 Ca -0.27 0.39 0.00 0.00 -0.26 0.00 0.00 60.65 60.51 2b5x s ILE 27 Cb 0.06 -3.72 0.00 0.00 1.25 0.00 0.00 42.46 40.05 2b5x s ILE 27 CO 0.42 -0.82 0.00 0.61 0.24 0.00 0.00 174.94 175.39 2b5x n GLY 28 N -2.57 1.89 0.54 6.27 0.00 -0.17 -4.83 105.19 106.32 2b5x n GLY 28 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.11 1.61 2.13 -1.26 -4.99 120.64 114.02 2b5x n GLU 29 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2b5x n GLU 29 Cb 0.00 -0.40 -0.11 0.00 0.27 0.00 0.00 31.44 31.20 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 -1.33 0.68 1.24 5.31 1.02 -1.26 -4.96 119.74 120.43 2b5x s LYS 30 Ca 0.00 -0.98 -0.17 0.00 0.02 0.00 0.00 55.97 54.84 2b5x s LYS 30 Cb 0.00 -0.35 0.30 0.00 -0.52 0.00 0.00 37.83 37.26 2b5x s LYS 30 CO 0.00 0.05 1.02 -1.25 -0.92 0.00 0.00 175.35 174.25 2b5x s PRO 31 N -2.33 -1.49 0.02 -1.68 0.04 -1.26 -4.18 135.00 124.11 2b5x s PRO 31 Ca -0.02 0.38 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 2b5x s PRO 31 Cb -0.05 -1.52 -0.02 0.00 0.04 0.00 0.00 34.50 32.95 2b5x s PRO 31 CO -0.01 -3.99 0.00 0.99 0.04 0.00 0.00 177.00 174.04 2b5x s THR 32 N -2.57 0.10 -0.14 1.26 2.01 -0.17 -0.38 115.64 115.75 2b5x s THR 32 Ca 0.68 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2b5x s THR 32 Cb -0.18 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 2b5x s THR 32 CO 0.60 -0.47 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.70 2b5x s LEU 33 N -1.42 2.63 -0.11 4.42 2.96 -0.04 -1.02 118.68 126.10 2b5x s LEU 33 Ca -0.15 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2b5x s LEU 33 Cb -0.09 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2b5x s LEU 33 CO -0.01 0.14 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.48 2b5x s ILE 34 N 0.50 3.76 0.04 6.68 1.01 -0.33 -1.84 121.20 131.02 2b5x s ILE 34 Ca -0.10 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.16 2b5x s ILE 34 Cb -0.16 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2b5x s ILE 34 CO 0.04 0.55 -0.10 -1.38 0.00 0.00 0.00 174.94 174.05 2b5x s HIS 35 N -0.20 0.89 -0.11 3.97 -3.43 -1.08 -0.89 115.29 114.45 2b5x s HIS 35 Ca 0.03 -0.39 -0.01 0.00 -0.80 0.00 0.00 55.06 53.89 2b5x s HIS 35 Cb -0.13 -0.53 -0.02 0.00 -1.43 0.00 0.00 32.58 30.47 2b5x s HIS 35 CO 0.03 -0.01 -0.08 -0.06 -2.00 0.00 0.00 174.74 172.61 2b5x s PHE 36 N -1.03 2.91 0.21 0.38 0.40 0.03 -1.31 117.98 119.57 2b5x s PHE 36 Ca -0.04 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 55.93 2b5x s PHE 36 Cb -0.08 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.62 2b5x s PHE 36 CO 0.01 0.06 0.36 1.67 0.70 0.00 0.00 175.22 178.02 2b5x s TRP 37 N -0.13 0.50 -0.15 0.36 1.48 -0.98 -2.19 118.94 117.83 2b5x s TRP 37 Ca 0.01 -0.84 -0.10 0.00 -1.06 0.00 0.00 56.10 54.12 2b5x s TRP 37 Cb -0.13 -0.01 0.05 0.00 -1.16 0.00 0.00 33.47 32.21 2b5x s TRP 37 CO 0.03 -0.84 0.38 -1.12 -4.06 0.00 0.00 176.95 171.33 2b5x s SER 38 N -3.02 -0.44 0.00 -2.66 0.01 -1.26 -0.96 113.70 105.36 2b5x s SER 38 Ca 0.23 0.80 0.18 0.00 1.31 0.00 0.00 55.95 58.48 2b5x s SER 38 Cb 0.02 0.72 1.06 0.00 0.21 0.00 0.00 66.02 68.03 2b5x s SER 38 CO 0.06 -0.17 1.49 2.30 0.41 0.00 0.00 173.24 177.33 2b5x n ILE 39 N 3.86 0.06 1.04 1.44 -5.35 -1.26 -2.95 119.36 116.21 2b5x n ILE 39 Ca -0.21 0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.41 2b5x n ILE 39 Cb 0.55 -0.73 0.19 0.00 -1.74 0.00 0.00 39.64 37.91 2b5x n ILE 39 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2b5x n SER 40 N -1.04 0.78 -4.55 7.28 7.64 -1.26 -4.92 113.62 117.55 2b5x n SER 40 Ca 0.13 -0.59 -0.34 0.00 1.01 0.00 0.00 58.87 59.08 2b5x n SER 40 Cb 0.07 0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 63.55 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 6.12 0.67 0.00 0.00 2.76 -1.92 -2.14 115.15 120.63 2b5x h HIS 42 Ca -0.38 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 57.71 2b5x h HIS 42 Cb 1.19 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 2b5x h HIS 42 CO 0.56 0.40 -0.44 -0.07 -1.30 0.00 0.00 177.93 177.07 2b5x h LEU 43 N 0.71 0.00 -0.87 0.26 3.38 -1.95 -2.02 115.31 114.81 2b5x h LEU 43 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2b5x h LEU 43 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2b5x h LEU 43 CO -0.08 0.44 0.24 0.00 0.09 0.00 0.00 178.44 179.13 2b5x h LYS 45 N 1.03 0.00 0.11 0.00 1.79 -0.88 0.48 116.57 119.11 2b5x h LYS 45 Ca 0.23 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.39 2b5x h LYS 45 Cb 0.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2b5x h LYS 45 CO -0.01 0.10 -1.58 0.93 -1.08 0.00 0.00 179.45 177.81 2b5x h GLU 46 N 0.00 0.24 -0.70 3.15 4.39 -1.14 -3.34 114.58 117.17 2b5x h GLU 46 Ca -0.00 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 2b5x h GLU 46 Cb 0.29 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2b5x h GLU 46 CO 0.01 1.09 0.28 0.00 -1.16 0.00 0.00 179.01 179.23 2b5x h ALA 47 N 0.48 0.91 -0.16 3.43 0.00 -0.38 -3.30 119.26 120.24 2b5x h ALA 47 Ca -0.26 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2b5x h ALA 47 Cb 2.02 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 2b5x h ALA 47 CO 0.15 0.53 -0.29 0.52 0.00 0.00 0.00 179.25 180.16 2b5x h MET 48 N 1.00 -0.34 -0.21 0.00 2.86 -1.04 0.33 114.93 117.53 2b5x h MET 48 Ca 0.23 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.83 2b5x h MET 48 Cb 0.21 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2b5x h MET 48 CO -0.02 -0.22 -0.18 -1.00 1.06 0.00 0.00 176.91 176.55 2b5x h PRO 49 N -0.35 0.36 -0.26 -0.22 0.13 -1.75 -2.51 132.00 127.40 2b5x h PRO 49 Ca 0.11 -0.11 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2b5x h PRO 49 Cb 0.52 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2b5x h PRO 49 CO -0.36 0.53 -0.32 1.96 -0.23 0.00 0.00 178.00 179.59 2b5x h GLN 50 N 0.33 0.54 -0.89 0.86 4.20 -1.32 -2.35 115.11 116.48 2b5x h GLN 50 Ca 0.06 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2b5x h GLN 50 Cb 0.51 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 2b5x h GLN 50 CO 0.03 0.79 0.56 0.28 -0.67 0.00 0.00 178.83 179.83 2b5x h VAL 51 N 0.46 1.24 -0.01 -0.54 2.07 -0.04 0.57 116.25 120.00 2b5x h VAL 51 Ca 0.06 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2b5x h VAL 51 Cb 0.78 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2b5x h VAL 51 CO 0.06 0.24 0.00 -1.13 0.02 0.00 0.00 177.57 176.76 2b5x h ASN 52 N 1.22 0.01 0.38 0.57 -1.24 -1.01 0.11 115.58 115.61 2b5x h ASN 52 Ca 0.32 -0.07 -0.18 0.00 0.71 0.00 0.00 56.30 57.08 2b5x h ASN 52 Cb -0.10 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 2b5x h ASN 52 CO -0.07 0.08 -0.76 1.05 -1.29 0.00 0.00 177.43 176.44 2b5x h GLU 53 N -0.06 0.31 -0.12 6.67 4.11 -1.29 -2.48 114.58 121.72 2b5x h GLU 53 Ca 0.00 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 59.16 2b5x h GLU 53 Cb 0.07 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2b5x h GLU 53 CO -0.00 0.93 0.07 0.35 0.07 0.00 0.00 179.01 180.43 2b5x h PHE 54 N 0.20 0.15 -0.23 2.06 3.04 -0.80 -0.65 116.94 120.71 2b5x h PHE 54 Ca -0.03 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.97 2b5x h PHE 54 Cb 1.34 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.74 2b5x h PHE 54 CO 0.04 0.15 -0.16 -0.09 -2.02 0.00 0.00 178.31 176.23 2b5x h ARG 55 N 0.11 -0.14 -0.16 1.11 2.43 -0.70 -0.80 114.38 116.23 2b5x h ARG 55 Ca 0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2b5x h ARG 55 Cb 0.04 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2b5x h ARG 55 CO -0.01 -0.09 0.11 0.22 -1.51 0.00 0.00 179.97 178.69 2b5x h ASP 56 N -0.15 0.18 -0.10 -3.80 3.58 -1.17 0.42 116.42 115.39 2b5x h ASP 56 Ca 0.13 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 2b5x h ASP 56 Cb 0.34 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2b5x h ASP 56 CO -0.32 0.13 -0.00 0.11 -2.88 0.00 0.00 179.24 176.28 2b5x h LYS 57 N 0.22 0.28 0.00 0.28 1.57 -0.70 -3.34 116.57 114.89 2b5x h LYS 57 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2b5x h LYS 57 Cb -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2b5x h LYS 57 CO -0.01 0.31 0.00 0.66 -0.57 0.00 0.00 179.45 179.84 2b5x n TYR 58 N -4.37 0.00 0.12 -1.35 4.01 -0.34 -4.73 117.16 110.50 2b5x n TYR 58 Ca -0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.92 2b5x n TYR 58 Cb 0.18 0.00 0.74 0.00 -0.31 0.00 0.00 39.34 39.96 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 -1.04 0.17 115.11 113.52 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 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 2b5x h GLN 59 CO 0.00 0.00 -0.01 -3.47 -0.00 0.00 0.00 178.83 175.35 2b5x n ASP 60 N -4.10 0.20 0.00 0.06 2.03 -1.26 -4.18 116.55 109.29 2b5x n ASP 60 Ca 0.05 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2b5x n ASP 60 Cb 0.44 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -1.68 2.33 -3.72 -0.67 6.02 0.10 -5.06 117.38 114.70 2b5x n GLN 61 Ca 0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.92 2b5x n GLN 61 Cb 0.36 -0.83 -0.09 0.00 1.02 0.00 0.00 30.24 30.70 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 -2.47 0.36 0.46 1.08 0.20 0.37 -4.30 118.68 114.37 2b5x s LEU 62 Ca 0.00 0.72 -0.21 0.00 0.69 0.00 0.00 54.13 55.33 2b5x s LEU 62 Cb 0.00 1.53 -0.10 0.00 -0.43 0.00 0.00 46.19 47.20 2b5x s LEU 62 CO 0.00 -0.24 1.00 0.20 -0.29 0.00 0.00 176.35 177.02 2b5x s ASN 63 N -0.17 6.62 0.01 3.68 0.01 0.48 -3.94 114.94 121.63 2b5x s ASN 63 Ca -0.03 1.83 0.06 0.00 -0.71 0.00 0.00 52.86 54.01 2b5x s ASN 63 Cb -0.03 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 2b5x s ASN 63 CO 0.02 -0.59 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.14 2b5x s VAL 64 N -2.06 1.52 0.08 1.60 1.01 -1.26 -0.86 120.40 120.44 2b5x s VAL 64 Ca 0.65 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2b5x s VAL 64 Cb -0.13 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2b5x s VAL 64 CO 0.17 0.32 0.40 0.54 0.00 0.00 0.00 175.10 176.53 2b5x s VAL 65 N -0.59 0.07 0.12 2.92 0.11 -0.77 -4.28 120.40 117.98 2b5x s VAL 65 Ca 0.07 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2b5x s VAL 65 Cb -0.08 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 2b5x s VAL 65 CO 0.00 -0.30 0.00 0.00 -3.33 0.00 0.00 175.10 171.47 2b5x s ALA 66 N -3.16 0.95 -0.06 1.54 0.00 -0.75 -2.62 121.76 117.66 2b5x s ALA 66 Ca -0.01 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.51 2b5x s ALA 66 Cb 0.01 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.69 2b5x s ALA 66 CO -0.07 -0.37 0.01 0.08 0.00 0.00 0.00 175.76 175.41 2b5x s VAL 67 N -3.84 0.27 0.06 0.00 1.01 -0.43 -2.40 120.40 115.08 2b5x s VAL 67 Ca 0.18 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 2b5x s VAL 67 Cb 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 2b5x s VAL 67 CO -0.01 0.24 0.94 -2.28 0.00 0.00 0.00 175.10 173.99 2b5x s HIS 68 N 1.92 3.75 -0.41 5.22 2.46 -0.47 -2.32 115.29 125.42 2b5x s HIS 68 Ca 0.04 1.72 -0.18 0.00 0.47 0.00 0.00 55.06 57.11 2b5x s HIS 68 Cb -0.12 -3.05 0.02 0.00 -0.13 0.00 0.00 32.58 29.30 2b5x s HIS 68 CO -0.04 0.14 0.49 1.41 -2.47 0.00 0.00 174.74 174.27 2b5x s MET 69 N 0.34 3.22 0.02 2.88 1.75 -0.13 -4.48 119.30 122.90 2b5x s MET 69 Ca 0.47 -0.58 -0.30 0.00 -1.25 0.00 0.00 55.69 54.03 2b5x s MET 69 Cb -0.22 -3.94 -0.07 0.00 2.84 0.00 0.00 34.83 33.44 2b5x s MET 69 CO 0.28 -0.85 1.58 -1.25 -0.65 0.00 0.00 175.02 174.13 2b5x s PRO 70 N 2.33 4.22 0.00 4.11 0.04 -1.26 -4.61 135.00 139.83 2b5x s PRO 70 Ca 0.15 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2b5x s PRO 70 Cb -0.16 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2b5x s PRO 70 CO 0.15 -0.72 0.00 -2.13 0.04 0.00 0.00 177.00 174.34 2b5x n ARG 71 N 5.91 0.13 -3.94 4.56 0.63 -1.26 -5.02 116.66 117.66 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 0.42 -0.52 -0.07 0.00 0.45 0.00 0.00 32.46 32.73 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 -1.73 0.12 0.60 6.15 0.01 -1.26 -5.04 113.70 112.55 2b5x s SER 72 Ca 0.00 -0.82 0.31 0.00 1.31 0.00 0.00 55.95 56.75 2b5x s SER 72 Cb 0.00 0.37 1.80 0.00 0.21 0.00 0.00 66.02 68.40 2b5x s SER 72 CO 0.00 -0.80 2.19 -0.33 0.41 0.00 0.00 173.24 174.71 2b5x h GLU 73 N 2.69 0.00 -0.00 12.44 5.08 -2.00 0.21 114.58 132.99 2b5x h GLU 73 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2b5x h GLU 73 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2b5x h GLU 73 CO 0.53 0.00 -0.14 -3.47 -1.00 0.00 0.00 179.01 174.94 2b5x n ASP 74 N -3.72 0.18 0.00 1.42 2.03 -1.26 -3.77 116.55 111.43 2b5x n ASP 74 Ca -0.01 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2b5x n ASP 74 Cb 0.20 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.41 0.45 0.28 1.67 5.68 -0.44 -4.77 116.55 118.01 2b5x n ASP 75 Ca 0.08 -0.79 0.18 0.00 -0.50 0.00 0.00 54.79 53.76 2b5x n ASP 75 Cb 0.32 0.20 0.91 0.00 -1.14 0.00 0.00 41.12 41.41 2b5x n ASP 75 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2b5x h LEU 76 N 0.00 0.00 -8.33 -2.12 5.85 -1.10 -3.43 115.31 106.18 2b5x h LEU 76 Ca 0.00 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.05 2b5x h LEU 76 Cb 0.12 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 40.83 2b5x h LEU 76 CO 0.00 0.00 -0.85 -0.62 -0.34 0.00 0.00 178.44 176.63 2b5x s ASP 77 N -5.05 3.33 0.52 1.25 -1.08 -1.26 -5.03 116.67 109.35 2b5x s ASP 77 Ca -0.04 -0.53 0.31 0.00 -0.52 0.00 0.00 52.55 51.77 2b5x s ASP 77 Cb 0.12 -1.48 1.16 0.00 -1.46 0.00 0.00 42.92 41.26 2b5x s ASP 77 CO 0.41 0.11 1.91 1.55 0.52 0.00 0.00 175.17 179.67 2b5x h PRO 78 N 7.07 0.00 -0.71 4.34 0.13 -1.94 -2.55 132.00 138.33 2b5x h PRO 78 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 2b5x h PRO 78 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2b5x h PRO 78 CO 0.53 0.03 0.19 0.78 -0.23 0.00 0.00 178.00 179.30 2b5x h GLY 79 N 2.34 1.22 0.97 1.56 0.00 -1.97 0.19 103.07 107.39 2b5x h GLY 79 Ca -0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2b5x h GLY 79 CO 0.00 0.70 0.20 0.50 0.00 0.00 0.00 176.54 177.95 2b5x h LYS 80 N 1.07 0.78 -0.15 4.80 1.57 -1.83 -1.26 116.57 121.55 2b5x h LYS 80 Ca 0.23 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2b5x h LYS 80 Cb 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2b5x h LYS 80 CO 0.00 0.69 0.04 0.82 -0.57 0.00 0.00 179.45 180.43 2b5x h ILE 81 N 0.69 0.95 0.09 1.86 2.04 -1.30 -1.59 117.51 120.24 2b5x h ILE 81 Ca 0.17 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.01 2b5x h ILE 81 Cb 0.21 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2b5x h ILE 81 CO -0.01 0.02 -0.19 0.50 0.00 0.00 0.00 178.15 178.47 2b5x h LYS 82 N 0.10 -0.34 -0.53 2.37 3.11 -0.72 0.51 116.57 121.07 2b5x h LYS 82 Ca 0.07 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.84 2b5x h LYS 82 Cb 0.05 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 2b5x h LYS 82 CO -0.08 -0.23 -0.02 1.49 -2.81 0.00 0.00 179.45 177.80 2b5x h GLU 83 N -0.35 0.95 -0.43 1.90 4.81 -1.10 -1.45 114.58 118.91 2b5x h GLU 83 Ca 0.03 -0.32 -0.13 0.00 -0.13 0.00 0.00 59.36 58.82 2b5x h GLU 83 Cb 0.38 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2b5x h GLU 83 CO -0.12 0.98 -0.24 1.15 -0.73 0.00 0.00 179.01 180.05 2b5x h THR 84 N 0.83 1.27 -0.69 0.32 2.02 -1.18 -3.07 112.91 112.41 2b5x h THR 84 Ca 0.15 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 65.95 2b5x h THR 84 Cb 0.56 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 2b5x h THR 84 CO 0.03 0.47 0.45 0.00 0.37 0.00 0.00 175.52 176.84 2b5x h ALA 85 N 0.82 0.89 -0.86 6.16 0.00 -0.60 -2.53 119.26 123.14 2b5x h ALA 85 Ca 0.09 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2b5x h ALA 85 Cb 0.82 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2b5x h ALA 85 CO 0.07 0.25 0.57 0.00 0.00 0.00 0.00 179.25 180.14 2b5x h ALA 86 N 1.28 1.43 0.00 0.00 0.00 -1.19 -2.19 119.26 118.58 2b5x h ALA 86 Ca 0.27 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2b5x h ALA 86 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2b5x h ALA 86 CO -0.08 0.51 -0.65 0.93 0.00 0.00 0.00 179.25 179.96 2b5x h GLU 87 N 1.12 0.00 -0.00 0.00 4.39 -1.37 -3.13 114.58 115.58 2b5x h GLU 87 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2b5x h GLU 87 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2b5x h GLU 87 CO -0.09 0.65 -0.02 0.72 -1.16 0.00 0.00 179.01 179.11 2b5x n HIS 88 N -3.75 0.00 -2.25 4.33 8.25 -0.84 -4.93 115.22 116.03 2b5x n HIS 88 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.30 2b5x n HIS 88 Cb 0.64 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.87 -4.34 -4.67 0.41 2.03 -1.12 -4.57 116.55 103.42 2b5x n ASP 89 Ca 0.20 0.18 -0.43 0.00 0.52 0.00 0.00 54.79 55.26 2b5x n ASP 89 Cb 0.20 -3.72 -0.02 0.00 -0.72 0.00 0.00 41.12 36.86 2b5x n ASP 89 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2b5x s ILE 90 N -2.64 4.26 0.00 5.18 -4.36 -1.22 -4.73 121.20 117.69 2b5x s ILE 90 Ca 0.00 1.56 0.00 0.00 -0.26 0.00 0.00 60.65 61.95 2b5x s ILE 90 Cb 0.00 -4.00 0.00 0.00 1.25 0.00 0.00 42.46 39.71 2b5x s ILE 90 CO 0.00 -0.07 0.34 0.35 0.24 0.00 0.00 174.94 175.80 2b5x n THR 91 N 4.97 0.01 -1.02 8.37 -2.24 -1.26 -4.81 114.28 118.30 2b5x n THR 91 Ca 0.12 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 2b5x n THR 91 Cb 0.45 1.33 0.13 0.00 -2.10 0.00 0.00 70.33 70.15 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 -0.01 1.51 0.38 -0.78 0.00 -1.26 -4.86 119.66 114.65 2b5x s GLN 92 Ca 0.00 1.67 -0.28 0.00 -0.00 0.00 0.00 55.36 56.75 2b5x s GLN 92 Cb 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 33.01 31.13 2b5x s GLN 92 CO 0.00 -2.29 1.43 -0.35 0.00 0.00 0.00 175.29 174.08 2b5x n PRO 93 N -3.55 2.48 -3.95 9.60 -0.04 -1.26 -4.62 135.00 133.66 2b5x n PRO 93 Ca 0.13 0.87 -0.11 0.00 -0.04 0.00 0.00 63.50 64.35 2b5x n PRO 93 Cb 0.51 -2.59 -0.13 0.00 -0.04 0.00 0.00 33.50 31.26 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 -1.13 0.11 0.12 0.52 1.01 -0.52 -1.81 121.20 119.50 2b5x s ILE 94 Ca 0.55 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2b5x s ILE 94 Cb -0.49 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2b5x s ILE 94 CO 0.62 -0.24 -0.05 0.72 0.00 0.00 0.00 174.94 176.00 2b5x s PHE 95 N -0.73 0.99 -0.02 3.97 -0.12 -1.01 -0.75 117.98 120.30 2b5x s PHE 95 Ca -0.07 -0.93 0.04 0.00 -0.05 0.00 0.00 56.93 55.91 2b5x s PHE 95 Cb -0.05 -0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 41.77 2b5x s PHE 95 CO -0.00 -0.15 -0.13 0.08 -0.05 0.00 0.00 175.22 174.97 2b5x s VAL 96 N -3.62 1.05 -0.10 -2.49 1.01 0.04 -1.37 120.40 114.92 2b5x s VAL 96 Ca 0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2b5x s VAL 96 Cb 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.57 2b5x s VAL 96 CO -0.02 0.31 0.04 -0.62 0.00 0.00 0.00 175.10 174.81 2b5x s ASP 97 N -0.05 1.78 0.38 3.32 2.15 -1.26 -1.20 116.67 121.78 2b5x s ASP 97 Ca 0.00 -0.24 0.21 0.00 0.43 0.00 0.00 52.55 52.95 2b5x s ASP 97 Cb -0.08 -0.33 0.54 0.00 -0.30 0.00 0.00 42.92 42.76 2b5x s ASP 97 CO 0.00 -0.26 1.66 0.77 -0.17 0.00 0.00 175.17 177.18 2b5x h SER 98 N 8.37 0.00 1.47 -0.34 4.64 -1.96 -3.13 113.55 122.60 2b5x h SER 98 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2b5x h SER 98 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2b5x h SER 98 CO 0.24 0.30 -0.17 -0.78 -0.87 0.00 0.00 176.83 175.55 2b5x h ASP 99 N 0.00 0.00 -6.35 4.97 3.58 -1.99 -3.48 116.42 113.14 2b5x h ASP 99 Ca -0.00 -0.04 -0.47 0.00 0.42 0.00 0.00 57.03 56.94 2b5x h ASP 99 Cb 1.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2b5x h ASP 99 CO 0.04 0.02 -0.88 1.41 -2.88 0.00 0.00 179.24 176.95 2b5x n HIS 100 N -2.47 -1.75 -0.29 0.28 8.25 -1.19 -4.91 115.22 113.15 2b5x n HIS 100 Ca 0.04 0.73 0.05 0.00 -0.26 0.00 0.00 57.72 58.28 2b5x n HIS 100 Cb 0.46 -3.87 0.25 0.00 1.12 0.00 0.00 29.99 27.96 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 0.84 1.54 -0.12 -1.41 0.00 -1.88 -1.16 119.26 117.08 2b5x h ALA 101 Ca -0.63 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.15 2b5x h ALA 101 Cb 1.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2b5x h ALA 101 CO 0.59 0.32 -0.39 -0.07 0.00 0.00 0.00 179.25 179.69 2b5x h LEU 102 N 0.99 0.26 -1.22 0.00 4.07 -1.88 -2.47 115.31 115.07 2b5x h LEU 102 Ca 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.24 2b5x h LEU 102 Cb 0.23 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2b5x h LEU 102 CO -0.15 0.64 0.00 0.74 -1.08 0.00 0.00 178.44 178.59 2b5x h THR 103 N 0.21 0.00 0.00 0.22 2.02 -1.58 0.29 112.91 114.07 2b5x h THR 103 Ca 0.02 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 2b5x h THR 103 Cb 0.79 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2b5x h THR 103 CO 0.06 0.00 -0.54 -0.78 0.37 0.00 0.00 175.52 174.63 2b5x h ASP 104 N 0.00 0.00 0.00 4.18 3.58 -1.23 -2.97 116.42 119.98 2b5x h ASP 104 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2b5x h ASP 104 Cb 0.32 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.32 2b5x h ASP 104 CO 0.00 0.54 -1.98 0.00 -2.88 0.00 0.00 179.24 174.92 2b5x n ALA 105 N -2.31 1.72 0.12 -0.78 0.00 -0.47 -4.61 120.51 114.19 2b5x n ALA 105 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 53.44 52.69 2b5x n ALA 105 Cb 0.64 0.24 -0.00 0.00 0.00 0.00 0.00 19.45 20.32 2b5x n ALA 105 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2b5x h PHE 106 N -0.70 0.00 -5.97 0.00 -1.00 -0.71 -3.48 116.94 105.08 2b5x h PHE 106 Ca -0.46 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 59.92 2b5x h PHE 106 Cb 1.37 0.00 0.08 0.00 3.61 0.00 0.00 35.95 41.02 2b5x h PHE 106 CO -0.08 0.55 -0.77 -1.91 -1.61 0.00 0.00 178.31 174.50 2b5x n GLU 107 N -3.19 -6.17 -1.68 1.51 2.13 -1.12 -4.52 120.64 107.59 2b5x n GLU 107 Ca 0.00 0.72 -0.65 0.00 0.66 0.00 0.00 57.16 57.89 2b5x n GLU 107 Cb 0.77 -5.58 -0.09 0.00 0.27 0.00 0.00 31.44 26.80 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 -3.02 0.91 -2.33 4.31 2.85 -1.26 -4.88 115.26 111.85 2b5x n ASN 108 Ca -0.15 1.18 -0.03 0.00 -0.11 0.00 0.00 54.58 55.47 2b5x n ASN 108 Cb 0.62 -0.90 0.08 0.00 1.24 0.00 0.00 39.78 40.82 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 3.34 1.10 -3.68 1.20 2.13 -1.26 -4.94 120.64 118.53 2b5x n GLU 109 Ca 0.28 -1.41 -0.15 0.00 0.66 0.00 0.00 57.16 56.54 2b5x n GLU 109 Cb -0.01 0.24 -0.08 0.00 0.27 0.00 0.00 31.44 31.85 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 -0.28 -0.41 -0.14 4.31 -0.85 -1.26 -5.18 117.35 113.55 2b5x s TYR 110 Ca 0.10 0.79 -0.30 0.00 -0.52 0.00 0.00 57.07 57.14 2b5x s TYR 110 Cb 0.35 0.21 0.10 0.00 0.38 0.00 0.00 41.96 43.00 2b5x s TYR 110 CO -0.10 -0.41 0.86 0.14 -1.52 0.00 0.00 175.55 174.52 2b5x s VAL 111 N -0.86 0.00 0.69 -3.49 -7.23 -1.26 -4.66 120.40 103.59 2b5x s VAL 111 Ca -0.09 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 59.92 2b5x s VAL 111 Cb -0.03 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.92 2b5x s VAL 111 CO 0.05 0.00 1.18 -2.16 -0.31 0.00 0.00 175.10 173.85 2b5x s PRO 112 N -0.92 2.45 0.14 4.82 0.04 -1.26 -4.75 135.00 135.52 2b5x s PRO 112 Ca -0.05 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 2b5x s PRO 112 Cb -0.01 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2b5x s PRO 112 CO 0.04 -1.57 0.34 0.00 0.04 0.00 0.00 177.00 175.85 2b5x s ALA 113 N -2.04 -0.54 -0.07 8.56 0.00 -0.93 -1.31 121.76 125.43 2b5x s ALA 113 Ca 0.72 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 2b5x s ALA 113 Cb -0.26 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.58 2b5x s ALA 113 CO 0.42 -0.64 0.18 0.71 0.00 0.00 0.00 175.76 176.43 2b5x s TYR 114 N -3.87 -0.20 -0.06 0.00 2.02 -0.13 -0.79 117.35 114.33 2b5x s TYR 114 Ca 0.08 0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 57.28 2b5x s TYR 114 Cb 0.02 0.03 0.03 0.00 -0.40 0.00 0.00 41.96 41.64 2b5x s TYR 114 CO -0.08 -0.13 0.01 0.71 -1.57 0.00 0.00 175.55 174.50 2b5x s TYR 115 N 0.47 0.51 -0.11 2.71 1.51 -0.06 -1.63 117.35 120.75 2b5x s TYR 115 Ca -0.03 -0.06 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 2b5x s TYR 115 Cb -0.05 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 2b5x s TYR 115 CO -0.02 -0.27 -0.14 0.08 -1.11 0.00 0.00 175.55 174.08 2b5x s VAL 116 N 1.87 3.01 0.03 0.71 1.01 -0.32 -1.18 120.40 125.54 2b5x s VAL 116 Ca 0.03 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2b5x s VAL 116 Cb -0.12 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2b5x s VAL 116 CO -0.04 0.54 -0.16 -0.36 0.00 0.00 0.00 175.10 175.08 2b5x s PHE 117 N 0.05 1.39 0.86 5.22 0.40 -0.19 -0.21 117.98 125.50 2b5x s PHE 117 Ca -0.05 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 2b5x s PHE 117 Cb -0.15 -0.83 0.11 0.00 0.51 0.00 0.00 43.02 42.66 2b5x s PHE 117 CO 0.04 0.04 1.10 0.34 0.70 0.00 0.00 175.22 177.44 2b5x s ASP 118 N -1.06 3.88 0.18 1.36 2.15 -0.54 -0.99 116.67 121.65 2b5x s ASP 118 Ca 0.04 1.38 0.15 0.00 0.43 0.00 0.00 52.55 54.54 2b5x s ASP 118 Cb -0.08 -2.08 0.73 0.00 -0.30 0.00 0.00 42.92 41.19 2b5x s ASP 118 CO 0.01 -2.36 1.45 2.29 -0.17 0.00 0.00 175.17 176.39 2b5x n LYS 119 N -3.69 0.09 0.00 4.34 2.85 -1.26 -0.43 118.16 120.05 2b5x n LYS 119 Ca 0.07 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 57.98 2b5x n LYS 119 Cb 0.56 -1.76 0.34 0.00 -0.65 0.00 0.00 35.03 33.52 2b5x n LYS 119 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2b5x n THR 120 N -1.95 0.00 -0.35 0.58 -2.24 -1.26 -1.00 114.28 108.06 2b5x n THR 120 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2b5x n THR 120 Cb 0.07 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2b5x n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b5x n GLY 121 N 1.37 0.80 3.72 3.38 0.00 0.42 -4.90 105.19 109.98 2b5x n GLY 121 Ca 0.11 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 4.52 -0.03 1.61 -2.07 -1.25 -1.14 119.66 120.62 2b5x s GLN 122 Ca 0.00 1.19 -0.30 0.00 -1.82 0.00 0.00 55.36 54.44 2b5x s GLN 122 Cb 0.00 -3.44 -0.07 0.00 -1.09 0.00 0.00 33.01 28.42 2b5x s GLN 122 CO 0.00 0.06 1.84 -1.17 -1.32 0.00 0.00 175.29 174.69 2b5x s LEU 123 N 0.70 4.30 -0.18 2.60 2.96 -0.34 -1.47 118.68 127.25 2b5x s LEU 123 Ca 0.45 2.39 0.11 0.00 -0.22 0.00 0.00 54.13 56.86 2b5x s LEU 123 Cb -0.20 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.73 2b5x s LEU 123 CO 0.24 -1.07 0.14 0.54 -1.32 0.00 0.00 176.35 174.88 2b5x n ARG 124 N 7.46 0.68 -3.49 1.98 5.12 0.71 -0.21 116.66 128.90 2b5x n ARG 124 Ca 0.19 0.11 -0.13 0.00 -1.93 0.00 0.00 57.85 56.09 2b5x n ARG 124 Cb 0.42 -1.59 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 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 -2.52 -0.49 0.00 -1.55 2.46 -1.09 -4.91 115.29 107.19 2b5x s HIS 125 Ca -0.16 0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.75 2b5x s HIS 125 Cb 0.07 0.46 -0.00 0.00 -0.13 0.00 0.00 32.58 32.98 2b5x s HIS 125 CO 0.77 -0.77 -0.01 0.12 -2.47 0.00 0.00 174.74 172.38 2b5x s PHE 126 N -3.26 0.09 0.09 3.88 5.36 -1.26 -1.17 117.98 121.70 2b5x s PHE 126 Ca -0.01 -0.07 -0.09 0.00 -0.96 0.00 0.00 56.93 55.80 2b5x s PHE 126 Cb -0.00 -0.06 -0.00 0.00 -0.34 0.00 0.00 43.02 42.62 2b5x s PHE 126 CO -0.08 -0.02 0.20 -1.14 -1.46 0.00 0.00 175.22 172.72 2b5x s GLN 127 N -0.18 0.87 0.07 10.12 2.00 -0.65 -5.03 119.66 126.88 2b5x s GLN 127 Ca -0.01 -0.96 -0.09 0.00 -2.00 0.00 0.00 55.36 52.29 2b5x s GLN 127 Cb -0.01 0.35 0.00 0.00 0.80 0.00 0.00 33.01 34.15 2b5x s GLN 127 CO -0.00 -0.28 0.20 0.00 -0.50 0.00 0.00 175.29 174.71 2b5x s ALA 128 N -3.86 -0.30 -1.86 1.58 0.00 -1.26 -0.95 121.76 115.11 2b5x s ALA 128 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2b5x s ALA 128 Cb 0.05 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2b5x s ALA 128 CO -0.10 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2b5x n GLY 129 N 0.15 0.31 3.65 0.00 0.00 -0.43 -4.99 105.19 103.89 2b5x n GLY 129 Ca -0.16 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.32 1.59 -0.95 -0.02 0.00 -1.26 -4.93 107.32 99.43 2b5x s GLY 130 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.36 2b5x s GLY 130 CO 0.00 0.45 1.79 -0.56 0.00 0.00 0.00 173.10 174.78 2b5x s SER 131 N -3.19 5.59 0.71 1.64 0.01 -1.26 -4.74 113.70 112.47 2b5x s SER 131 Ca 0.65 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2b5x s SER 131 Cb -0.20 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2b5x s SER 131 CO 0.59 -2.34 0.00 0.61 0.41 0.00 0.00 173.24 172.50 2b5x n GLY 132 N 6.83 2.80 1.08 3.44 0.00 -1.26 -2.35 105.19 115.73 2b5x n GLY 132 Ca 0.38 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.36 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 14.00 2.59 -0.11 1.61 0.00 -1.26 -4.80 117.12 129.15 2b5x n MET 133 Ca 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 57.70 54.68 2b5x n MET 133 Cb 0.00 -1.87 0.14 0.00 0.00 0.00 0.00 33.22 31.49 2b5x n MET 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2b5x h LYS 134 N 1.56 0.81 -0.26 0.03 1.63 -1.84 -2.10 116.57 116.40 2b5x h LYS 134 Ca 0.11 -0.23 -0.13 0.00 -0.85 0.00 0.00 60.65 59.54 2b5x h LYS 134 Cb 1.61 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 33.15 2b5x h LYS 134 CO 0.33 0.83 -0.36 1.98 -3.45 0.00 0.00 179.45 178.79 2b5x h MET 135 N 0.75 0.70 -0.67 1.90 4.05 -1.87 -3.29 114.93 116.50 2b5x h MET 135 Ca 0.14 -0.41 0.07 0.00 -0.28 0.00 0.00 59.70 59.23 2b5x h MET 135 Cb 0.49 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 2b5x h MET 135 CO 0.02 1.02 0.44 1.25 0.23 0.00 0.00 176.91 179.88 2b5x h LEU 136 N 0.42 0.58 -0.94 3.39 5.85 -1.75 -0.08 115.31 122.78 2b5x h LEU 136 Ca 0.03 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.92 2b5x h LEU 136 Cb 0.94 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.75 2b5x h LEU 136 CO 0.08 0.37 0.53 -0.08 -0.34 0.00 0.00 178.44 179.00 2b5x h GLU 137 N 0.65 0.68 -0.09 1.25 4.81 -1.49 0.37 114.58 120.76 2b5x h GLU 137 Ca 0.29 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2b5x h GLU 137 Cb 0.31 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2b5x h GLU 137 CO -0.09 0.45 -0.03 0.87 -0.73 0.00 0.00 179.01 179.47 2b5x h LYS 138 N 0.70 0.18 -0.62 1.92 1.79 -1.17 -2.11 116.57 117.25 2b5x h LYS 138 Ca 0.53 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.90 2b5x h LYS 138 Cb 0.79 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.40 2b5x h LYS 138 CO -0.38 0.51 0.31 -0.09 -1.08 0.00 0.00 179.45 178.72 2b5x h ARG 139 N -0.16 0.87 -0.46 3.15 9.65 -1.26 -0.11 114.38 126.06 2b5x h ARG 139 Ca 0.02 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 2b5x h ARG 139 Cb 0.45 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 2b5x h ARG 139 CO 0.01 0.67 0.21 0.28 2.80 0.00 0.00 179.97 183.94 2b5x h VAL 140 N 0.87 1.19 -0.77 0.20 2.07 -0.89 0.77 116.25 119.69 2b5x h VAL 140 Ca 0.22 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2b5x h VAL 140 Cb 0.08 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2b5x h VAL 140 CO -0.03 0.21 0.48 0.78 0.02 0.00 0.00 177.57 179.03 2b5x h ASN 141 N 0.60 0.91 -0.42 0.57 2.35 -0.64 0.15 115.58 119.10 2b5x h ASN 141 Ca 0.16 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2b5x h ASN 141 Cb 0.14 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2b5x h ASN 141 CO -0.02 0.69 0.20 -0.09 -1.65 0.00 0.00 177.43 176.56 2b5x h ARG 142 N 1.05 0.61 -0.58 0.81 1.12 -0.44 -1.59 114.38 115.36 2b5x h ARG 142 Ca 0.28 -0.09 -0.06 0.00 -1.11 0.00 0.00 59.98 58.99 2b5x h ARG 142 Cb -0.07 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 29.76 2b5x h ARG 142 CO -0.05 0.53 0.11 0.28 -3.11 0.00 0.00 179.97 177.72 2b5x h VAL 143 N 0.54 1.24 -0.75 0.20 2.07 -0.20 -2.01 116.25 117.35 2b5x h VAL 143 Ca 0.14 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.78 2b5x h VAL 143 Cb 0.13 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 2b5x h VAL 143 CO -0.02 0.34 0.47 -0.07 0.02 0.00 0.00 177.57 178.32 2b5x h LEU 144 N 0.87 0.78 0.00 2.57 3.38 -0.67 -0.42 115.31 121.82 2b5x h LEU 144 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2b5x h LEU 144 Cb 0.36 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2b5x h LEU 144 CO 0.01 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.07 2b5x n ALA 145 N -2.32 1.74 0.77 1.53 0.00 -0.63 -1.44 120.51 120.16 2b5x n ALA 145 Ca 0.08 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.55 2b5x n ALA 145 Cb 0.09 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 2b5x n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2b5x n GLU 146 N -1.29 1.58 -0.27 0.00 1.02 -0.22 -4.62 120.64 116.84 2b5x n GLU 146 Ca 0.06 -0.59 0.03 0.00 -0.02 0.00 0.00 57.16 56.64 2b5x n GLU 146 Cb 0.10 -1.30 0.04 0.00 -0.02 0.00 0.00 31.44 30.26 2b5x n GLU 146 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2b5x n THR 147 N -0.49 0.63 -1.45 2.62 -1.04 -0.52 -5.07 114.28 108.95 2b5x n THR 147 Ca 0.06 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 2b5x n THR 147 Cb 0.33 0.35 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 2b5x n THR 147 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64