#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r0x s GLU 3 N 0.00 3.97 0.19 7.34 8.01 -1.26 -4.93 118.70 132.01 2r0x s GLU 3 Ca 0.00 1.61 -0.11 0.00 0.01 0.00 0.00 54.97 56.48 2r0x s GLU 3 Cb 0.00 -2.45 0.12 0.00 -4.31 0.00 0.00 34.13 27.49 2r0x s GLU 3 CO 0.00 -0.34 1.79 0.28 0.01 0.00 0.00 175.26 177.01 2r0x h VAL 4 N 2.01 1.22 -0.82 2.63 2.07 -2.05 -1.59 116.25 119.71 2r0x h VAL 4 Ca -0.49 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2r0x h VAL 4 Cb 1.23 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2r0x h VAL 4 CO 0.61 0.25 0.46 0.77 0.02 0.00 0.00 177.57 179.68 2r0x h SER 5 N 0.96 1.02 -0.65 0.57 4.64 -1.99 0.25 113.55 118.35 2r0x h SER 5 Ca 0.24 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 2r0x h SER 5 Cb 0.08 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 2r0x h SER 5 CO -0.03 0.82 0.17 -0.61 -0.87 0.00 0.00 176.83 176.30 2r0x h GLN 6 N 1.14 1.03 -0.46 4.77 -0.00 -1.89 -1.28 115.11 118.42 2r0x h GLN 6 Ca 0.29 -0.24 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 2r0x h GLN 6 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.34 2r0x h GLN 6 CO -0.05 0.92 0.19 0.35 0.00 0.00 0.00 178.83 180.25 2r0x h PHE 7 N 0.95 0.69 -0.87 3.99 3.57 -0.82 -0.90 116.94 123.56 2r0x h PHE 7 Ca 0.20 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2r0x h PHE 7 Cb 0.35 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2r0x h PHE 7 CO 0.03 0.59 0.45 0.87 -2.23 0.00 0.00 178.31 178.01 2r0x h LYS 8 N 0.60 1.23 -0.40 1.11 1.57 -0.71 -2.60 116.57 117.36 2r0x h LYS 8 Ca 0.15 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2r0x h LYS 8 Cb 0.18 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2r0x h LYS 8 CO -0.01 0.92 -0.30 -0.44 -0.57 0.00 0.00 179.45 179.05 2r0x h ASP 9 N 1.22 0.91 0.00 0.86 3.32 -1.09 -0.79 116.42 120.85 2r0x h ASP 9 Ca 0.30 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2r0x h ASP 9 Cb 0.07 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2r0x h ASP 9 CO -0.04 1.13 0.00 0.00 -1.72 0.00 0.00 179.24 178.61 2r0x n ALA 10 N -2.52 1.59 0.00 3.45 0.00 -0.36 -3.49 120.51 119.18 2r0x n ALA 10 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2r0x n ALA 10 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2r0x n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r0x n ALA 12 N 0.83 0.00 1.19 0.00 0.00 -0.30 -3.57 120.51 118.65 2r0x n ALA 12 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2r0x n ALA 12 Cb 0.07 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.00 2r0x n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2r0x n GLN 13 N 0.00 0.40 -2.79 0.00 6.02 -1.23 0.45 117.38 120.23 2r0x n GLN 13 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.40 2r0x n GLN 13 Cb 0.00 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 2r0x n GLN 13 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2r0x s LEU 14 N -2.72 4.11 0.09 1.08 2.96 -1.23 -4.83 118.68 118.14 2r0x s LEU 14 Ca 0.20 1.21 -0.30 0.00 -0.22 0.00 0.00 54.13 55.03 2r0x s LEU 14 Cb 0.19 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 2r0x s LEU 14 CO 0.55 -0.55 1.04 0.00 -1.32 0.00 0.00 176.35 176.07 2r0x s ALA 15 N 2.83 3.28 -0.02 5.97 0.00 -1.26 -4.56 121.76 127.99 2r0x s ALA 15 Ca 0.40 0.67 0.02 0.00 0.00 0.00 0.00 51.96 53.04 2r0x s ALA 15 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2r0x s ALA 15 CO 0.08 -0.19 -0.06 -1.12 0.00 0.00 0.00 175.76 174.47 2r0x s SER 16 N 0.40 0.88 0.86 0.00 0.01 -0.57 -4.97 113.70 110.30 2r0x s SER 16 Ca 0.51 -0.13 -0.12 0.00 1.31 0.00 0.00 55.95 57.51 2r0x s SER 16 Cb -0.25 -0.23 0.09 0.00 0.21 0.00 0.00 66.02 65.84 2r0x s SER 16 CO 0.30 0.04 1.02 0.00 0.41 0.00 0.00 173.24 175.01 2r0x n ALA 17 N 3.32 -0.77 -2.94 1.44 0.00 -1.26 -0.63 120.51 119.67 2r0x n ALA 17 Ca -0.18 -0.44 -0.30 0.00 0.00 0.00 0.00 53.44 52.53 2r0x n ALA 17 Cb 0.55 -2.14 -0.16 0.00 0.00 0.00 0.00 19.45 17.70 2r0x n ALA 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2r0x s VAL 18 N -2.31 1.82 0.10 0.00 1.01 -1.20 -4.56 120.40 115.26 2r0x s VAL 18 Ca 0.68 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2r0x s VAL 18 Cb -0.26 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2r0x s VAL 18 CO 0.56 0.51 -0.12 -1.00 0.00 0.00 0.00 175.10 175.05 2r0x s HIS 19 N 0.06 1.15 -0.24 5.22 3.76 -0.40 -1.03 115.29 123.81 2r0x s HIS 19 Ca -0.08 -0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 54.21 2r0x s HIS 19 Cb -0.14 -0.62 0.01 0.00 1.11 0.00 0.00 32.58 32.93 2r0x s HIS 19 CO 0.04 0.04 -0.04 0.42 -0.85 0.00 0.00 174.74 174.35 2r0x s ILE 20 N -2.10 3.19 -0.24 0.60 1.01 0.48 -0.47 121.20 123.67 2r0x s ILE 20 Ca 0.04 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 2r0x s ILE 20 Cb -0.05 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2r0x s ILE 20 CO 0.01 0.30 0.15 -0.69 0.00 0.00 0.00 174.94 174.71 2r0x s VAL 21 N 1.41 5.31 0.23 2.92 1.01 0.43 -1.13 120.40 130.58 2r0x s VAL 21 Ca 0.03 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2r0x s VAL 21 Cb -0.15 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2r0x s VAL 21 CO -0.04 0.35 -0.05 0.42 0.00 0.00 0.00 175.10 175.79 2r0x s THR 22 N 1.01 1.32 0.20 3.92 -4.23 -1.26 -1.00 115.64 115.59 2r0x s THR 22 Ca 0.07 -2.09 -0.13 0.00 -1.18 0.00 0.00 61.69 58.37 2r0x s THR 22 Cb -0.13 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.46 2r0x s THR 22 CO 0.04 -0.42 0.42 0.28 -0.54 0.00 0.00 174.62 174.40 2r0x s THR 23 N -3.23 0.03 0.00 3.99 -1.32 -0.15 -4.30 115.64 110.67 2r0x s THR 23 Ca 0.26 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 2r0x s THR 23 Cb 0.04 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.17 2r0x s THR 23 CO 0.08 -0.15 0.00 -0.24 -2.21 0.00 0.00 174.62 172.10 2r0x n SER 24 N -0.31 0.00 0.00 8.08 2.88 -1.26 -1.57 113.62 121.44 2r0x n SER 24 Ca -0.07 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2r0x n SER 24 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2r0x n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r0x n GLY 25 N 5.00 -0.22 0.12 0.46 0.00 0.10 -4.49 105.19 106.16 2r0x n GLY 25 Ca 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 46.02 44.95 2r0x n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2r0x n GLU 26 N -0.69 0.60 0.16 1.61 0.28 -1.26 -2.33 120.64 119.01 2r0x n GLU 26 Ca 0.00 -0.24 0.13 0.00 -0.16 0.00 0.00 57.16 56.89 2r0x n GLU 26 Cb 0.00 -1.45 0.56 0.00 1.43 0.00 0.00 31.44 31.98 2r0x n GLU 26 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2r0x h THR 27 N 0.58 0.00 0.00 3.84 1.35 -2.03 -3.49 112.91 113.15 2r0x h THR 27 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2r0x h THR 27 Cb 0.54 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2r0x h THR 27 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2r0x n GLY 28 N -0.26 0.06 3.81 5.82 0.00 -0.99 -4.99 105.19 108.64 2r0x n GLY 28 Ca 0.01 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 2r0x n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r0x s GLN 29 N 0.00 4.33 0.00 1.61 -0.21 -1.26 0.02 119.66 124.15 2r0x s GLN 29 Ca 0.00 1.07 -0.00 0.00 0.02 0.00 0.00 55.36 56.44 2r0x s GLN 29 Cb 0.00 -2.62 -0.01 0.00 1.00 0.00 0.00 33.01 31.38 2r0x s GLN 29 CO 0.00 0.22 -0.01 -1.01 -2.12 0.00 0.00 175.29 172.37 2r0x s HIS 30 N -1.78 0.07 0.21 0.91 3.76 -0.61 -4.83 115.29 113.03 2r0x s HIS 30 Ca 0.52 -0.14 -0.23 0.00 -0.15 0.00 0.00 55.06 55.06 2r0x s HIS 30 Cb -0.15 -0.05 0.06 0.00 1.11 0.00 0.00 32.58 33.55 2r0x s HIS 30 CO 0.20 -0.05 0.90 0.20 -0.85 0.00 0.00 174.74 175.13 2r0x s GLY 31 N -0.40 -0.08 -0.02 -2.22 0.00 -1.26 -0.97 107.32 102.37 2r0x s GLY 31 Ca -0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.28 2r0x s GLY 31 CO -0.00 0.32 0.55 -0.11 0.00 0.00 0.00 173.10 173.86 2r0x s PHE 32 N -3.13 -0.49 0.15 1.90 -0.71 -0.17 -4.95 117.98 110.58 2r0x s PHE 32 Ca 0.14 0.79 -0.30 0.00 -1.04 0.00 0.00 56.93 56.52 2r0x s PHE 32 Cb -0.03 0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 42.02 2r0x s PHE 32 CO 0.05 -0.55 1.07 0.99 -1.34 0.00 0.00 175.22 175.44 2r0x s THR 33 N -1.43 4.03 0.01 -4.49 2.01 -0.57 -0.43 115.64 114.77 2r0x s THR 33 Ca -0.11 1.71 0.01 0.00 0.31 0.00 0.00 61.69 63.61 2r0x s THR 33 Cb -0.02 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2r0x s THR 33 CO 0.07 0.28 -0.03 0.00 -0.69 0.00 0.00 174.62 174.24 2r0x s ALA 34 N -0.10 0.19 -0.03 7.40 0.00 0.38 -4.89 121.76 124.71 2r0x s ALA 34 Ca 0.49 -0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.18 2r0x s ALA 34 Cb -0.28 0.05 -0.15 0.00 0.00 0.00 0.00 23.12 22.74 2r0x s ALA 34 CO 0.33 -0.05 0.18 -1.13 0.00 0.00 0.00 175.76 175.09 2r0x n SER 35 N 2.24 2.64 -4.09 0.00 3.41 -1.26 -1.28 113.62 115.28 2r0x n SER 35 Ca -0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.00 2r0x n SER 35 Cb 0.57 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 2r0x n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r0x n ALA 36 N -1.97 4.79 -3.71 7.33 0.00 -1.26 -4.79 120.51 120.89 2r0x n ALA 36 Ca -0.05 -4.19 -0.19 0.00 0.00 0.00 0.00 53.44 49.00 2r0x n ALA 36 Cb 0.39 -3.14 -0.17 0.00 0.00 0.00 0.00 19.45 16.53 2r0x n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2r0x s VAL 37 N 1.47 0.21 0.10 0.00 1.01 -1.26 -1.14 120.40 120.80 2r0x s VAL 37 Ca 0.43 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.59 2r0x s VAL 37 Cb 0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2r0x s VAL 37 CO -0.00 0.19 -0.10 0.00 0.00 0.00 0.00 175.10 175.19 2r0x s SER 39 N -2.50 7.05 -0.23 0.00 0.15 -1.26 -0.37 113.70 116.54 2r0x s SER 39 Ca 0.06 1.29 0.08 0.00 0.70 0.00 0.00 55.95 58.09 2r0x s SER 39 Cb -0.02 -2.49 -0.20 0.00 -1.71 0.00 0.00 66.02 61.59 2r0x s SER 39 CO 0.00 -0.46 -0.08 0.55 1.20 0.00 0.00 173.24 174.45 2r0x n VAL 40 N 4.80 1.46 -3.46 4.45 3.14 -0.36 -4.90 118.33 123.47 2r0x n VAL 40 Ca 0.07 -0.69 -0.11 0.00 -2.96 0.00 0.00 64.34 60.65 2r0x n VAL 40 Cb 0.48 -1.04 -0.02 0.00 -1.06 0.00 0.00 33.84 32.20 2r0x n VAL 40 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2r0x s THR 41 N -2.51 0.00 -1.41 1.55 -1.32 -1.16 -5.02 115.64 105.77 2r0x s THR 41 Ca -0.24 -0.04 0.23 0.00 -1.21 0.00 0.00 61.69 60.43 2r0x s THR 41 Cb 0.08 -1.05 -0.04 0.00 -1.51 0.00 0.00 72.50 69.98 2r0x s THR 41 CO 0.70 0.00 1.17 0.47 -2.21 0.00 0.00 174.62 174.75 2r0x n ASP 42 N -0.36 1.19 -3.70 8.08 8.00 -1.26 -1.23 116.55 127.27 2r0x n ASP 42 Ca -0.15 -0.97 -0.27 0.00 0.71 0.00 0.00 54.79 54.10 2r0x n ASP 42 Cb 0.64 0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 42.19 2r0x n ASP 42 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2r0x n SER 43 N -0.95 2.10 -4.92 -2.24 3.41 -1.26 -1.99 113.62 107.77 2r0x n SER 43 Ca 0.07 -3.00 -0.23 0.00 -0.26 0.00 0.00 58.87 55.45 2r0x n SER 43 Cb 0.37 -0.69 0.05 0.00 -0.26 0.00 0.00 64.21 63.68 2r0x n SER 43 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2r0x s PRO 44 N -1.17 2.34 -0.09 4.33 0.04 -1.26 -5.06 135.00 134.12 2r0x s PRO 44 Ca 0.29 -0.69 -0.37 0.00 0.04 0.00 0.00 61.00 60.26 2r0x s PRO 44 Cb 0.01 -2.39 -0.15 0.00 0.04 0.00 0.00 34.50 32.01 2r0x s PRO 44 CO -0.16 -0.94 1.64 -2.30 0.04 0.00 0.00 177.00 175.28 2r0x n PRO 45 N -2.55 1.45 -3.79 0.56 -0.02 -0.84 -4.71 135.00 125.10 2r0x n PRO 45 Ca 0.09 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 2r0x n PRO 45 Cb 0.60 -2.24 -0.12 0.00 -0.02 0.00 0.00 33.50 31.71 2r0x n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2r0x s THR 46 N 2.50 -0.01 0.33 3.45 2.01 -0.37 -1.28 115.64 122.27 2r0x s THR 46 Ca 0.91 0.04 0.08 0.00 0.31 0.00 0.00 61.69 63.03 2r0x s THR 46 Cb -0.92 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2r0x s THR 46 CO 0.55 0.02 0.17 -0.76 -0.69 0.00 0.00 174.62 173.90 2r0x s LEU 47 N 0.39 3.35 -0.06 4.42 1.43 -0.09 -1.22 118.68 126.90 2r0x s LEU 47 Ca -0.02 -0.68 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 2r0x s LEU 47 Cb -0.04 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2r0x s LEU 47 CO -0.02 -0.28 -0.19 -0.76 0.23 0.00 0.00 176.35 175.33 2r0x s LEU 48 N -3.87 2.42 -0.09 1.79 1.43 0.51 -0.80 118.68 120.07 2r0x s LEU 48 Ca 0.38 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2r0x s LEU 48 Cb -0.04 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.72 2r0x s LEU 48 CO 0.23 0.28 -0.15 -0.69 0.23 0.00 0.00 176.35 176.25 2r0x s VAL 49 N -0.33 1.42 0.00 -1.59 1.01 -0.60 -1.97 120.40 118.34 2r0x s VAL 49 Ca 0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 2r0x s VAL 49 Cb -0.13 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 2r0x s VAL 49 CO 0.02 0.42 0.45 0.00 0.00 0.00 0.00 175.10 176.00 2r0x s ILE 51 N -0.85 0.28 -0.17 0.00 2.07 -0.43 -4.83 121.20 117.26 2r0x s ILE 51 Ca 0.25 -0.25 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 2r0x s ILE 51 Cb -0.17 -0.26 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 2r0x s ILE 51 CO 0.14 0.01 1.28 0.21 -1.91 0.00 0.00 174.94 174.68 2r0x s ASN 52 N -0.25 6.91 0.00 4.50 3.84 -1.26 -0.35 114.94 128.33 2r0x s ASN 52 Ca -0.00 1.67 0.22 0.00 0.21 0.00 0.00 52.86 54.96 2r0x s ASN 52 Cb -0.02 -2.54 1.18 0.00 -0.55 0.00 0.00 41.25 39.32 2r0x s ASN 52 CO -0.00 -0.79 1.69 -1.54 -2.79 0.00 0.00 177.10 173.66 2r0x n SER 53 N 6.71 0.00 -0.56 -4.21 3.41 0.01 -1.82 113.62 117.16 2r0x n SER 53 Ca 0.14 -0.32 0.10 0.00 -0.26 0.00 0.00 58.87 58.53 2r0x n SER 53 Cb 0.45 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 2r0x n SER 53 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2r0x n ASN 54 N -1.16 2.14 -4.79 4.04 3.02 -1.26 -4.89 115.26 112.36 2r0x n ASN 54 Ca 0.13 -1.57 -0.34 0.00 -0.03 0.00 0.00 54.58 52.77 2r0x n ASN 54 Cb 0.13 0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2r0x n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r0x s ALA 55 N -2.10 2.72 0.30 5.41 0.00 -0.76 -4.93 121.76 122.41 2r0x s ALA 55 Ca 0.19 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.79 2r0x s ALA 55 Cb 0.16 -3.28 0.72 0.00 0.00 0.00 0.00 23.12 20.72 2r0x s ALA 55 CO 0.43 -0.73 1.77 -0.09 0.00 0.00 0.00 175.76 177.15 2r0x h ARG 56 N 0.90 0.73 -0.71 0.00 2.43 -1.95 -1.52 114.38 114.26 2r0x h ARG 56 Ca -0.48 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 58.72 2r0x h ARG 56 Cb 1.24 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 2r0x h ARG 56 CO 0.57 0.48 0.47 0.00 -1.51 0.00 0.00 179.97 179.98 2r0x h ALA 57 N 1.64 1.77 -0.09 2.80 0.00 -1.91 -3.37 119.26 120.10 2r0x h ALA 57 Ca 0.57 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.49 2r0x h ALA 57 Cb 0.88 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2r0x h ALA 57 CO -0.38 0.11 -0.10 -0.92 0.00 0.00 0.00 179.25 177.96 2r0x h TYR 58 N 0.69 -0.24 -0.49 0.00 3.20 -1.52 -2.34 116.97 116.27 2r0x h TYR 58 Ca 0.31 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.27 2r0x h TYR 58 Cb 0.34 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2r0x h TYR 58 CO -0.00 -0.15 0.33 1.05 -1.64 0.00 0.00 178.16 177.75 2r0x h GLU 59 N -0.13 0.37 -0.37 1.82 -0.00 -1.78 -1.69 114.58 112.81 2r0x h GLU 59 Ca 0.07 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.36 59.30 2r0x h GLU 59 Cb 0.22 -0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 28.87 2r0x h GLU 59 CO -0.16 0.24 -0.18 0.45 -0.00 0.00 0.00 179.01 179.36 2r0x h HIS 60 N 0.38 0.78 -0.20 2.06 3.86 -1.68 0.13 115.15 120.47 2r0x h HIS 60 Ca 0.21 -0.16 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 2r0x h HIS 60 Cb 0.36 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2r0x h HIS 60 CO -0.00 0.83 -0.40 0.74 0.86 0.00 0.00 177.93 179.96 2r0x h PHE 61 N 0.62 0.79 -0.58 2.45 0.04 -1.33 -1.45 116.94 117.48 2r0x h PHE 61 Ca 0.10 -0.29 0.02 0.00 2.80 0.00 0.00 57.97 60.59 2r0x h PHE 61 Cb 0.66 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 2r0x h PHE 61 CO 0.03 1.04 0.37 0.28 -0.60 0.00 0.00 178.31 179.44 2r0x h VAL 62 N 0.31 1.11 -0.21 -0.55 2.07 -1.15 -0.81 116.25 117.03 2r0x h VAL 62 Ca 0.01 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2r0x h VAL 62 Cb 1.00 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2r0x h VAL 62 CO 0.09 0.14 -0.08 0.50 0.02 0.00 0.00 177.57 178.24 2r0x h LYS 63 N 0.75 0.41 0.00 1.57 3.11 -0.90 -3.35 116.57 118.16 2r0x h LYS 63 Ca 0.22 -0.17 -0.19 0.00 -2.81 0.00 0.00 60.65 57.70 2r0x h LYS 63 Cb -0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.14 2r0x h LYS 63 CO -0.07 0.69 -1.38 -0.91 -2.81 0.00 0.00 179.45 174.97 2r0x h ASN 64 N 0.12 0.00 -2.66 4.20 4.21 -1.19 -3.48 115.58 116.79 2r0x h ASN 64 Ca 0.05 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.19 2r0x h ASN 64 Cb 0.55 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.70 2r0x h ASN 64 CO 0.03 0.68 -0.44 0.54 -1.29 0.00 0.00 177.43 176.95 2r0x n ARG 65 N -2.98 -1.72 -4.02 0.81 5.12 -0.32 -4.97 116.66 108.59 2r0x n ARG 65 Ca -0.10 0.95 -0.08 0.00 -1.93 0.00 0.00 57.85 56.69 2r0x n ARG 65 Cb 0.88 -5.51 -0.10 0.00 -1.16 0.00 0.00 32.46 26.57 2r0x n ARG 65 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2r0x s VAL 66 N -2.82 0.16 0.00 1.55 -7.23 -1.26 -0.62 120.40 110.17 2r0x s VAL 66 Ca 0.00 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2r0x s VAL 66 Cb 0.00 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2r0x s VAL 66 CO 0.00 -0.71 0.00 0.00 -0.31 0.00 0.00 175.10 174.08 2r0x n LEU 67 N 0.95 0.00 -3.52 1.32 -0.00 -0.58 -4.68 117.00 110.48 2r0x n LEU 67 Ca -0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.70 2r0x n LEU 67 Cb 0.58 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.89 2r0x n LEU 67 CO 0.23 0.00 -0.08 -0.69 -0.00 0.00 0.00 177.39 176.85 2r0x s VAL 69 N -0.03 -0.52 -0.50 1.47 1.01 0.22 -0.36 120.40 121.70 2r0x s VAL 69 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 2r0x s VAL 69 Cb 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 36.38 35.84 2r0x s VAL 69 CO 0.00 -0.04 0.38 0.20 0.00 0.00 0.00 175.10 175.65 2r0x s ASN 70 N 2.49 5.78 0.07 3.32 0.01 -0.28 -0.89 114.94 125.43 2r0x s ASN 70 Ca 0.06 -1.98 -0.30 0.00 -0.71 0.00 0.00 52.86 49.92 2r0x s ASN 70 Cb -0.14 -2.03 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 2r0x s ASN 70 CO -0.13 -0.69 1.03 -0.89 -1.51 0.00 0.00 177.10 174.91 2r0x s THR 71 N 1.26 4.49 0.16 1.60 2.01 0.22 -0.39 115.64 124.99 2r0x s THR 71 Ca 0.07 1.90 -0.14 0.00 0.31 0.00 0.00 61.69 63.83 2r0x s THR 71 Cb -0.26 -4.22 -0.07 0.00 0.01 0.00 0.00 72.50 67.97 2r0x s THR 71 CO -0.01 0.21 0.55 -0.76 -0.69 0.00 0.00 174.62 173.92 2r0x s LEU 72 N 0.54 4.32 0.76 4.42 1.43 -0.19 -0.50 118.68 129.46 2r0x s LEU 72 Ca 0.51 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 2r0x s LEU 72 Cb -0.24 -3.32 0.05 0.00 0.03 0.00 0.00 46.19 42.71 2r0x s LEU 72 CO 0.30 0.08 1.14 0.42 0.23 0.00 0.00 176.35 178.52 2r0x s THR 73 N -1.51 2.67 0.60 5.49 -4.23 -1.26 -1.86 115.64 115.54 2r0x s THR 73 Ca 0.39 0.21 0.40 0.00 -1.18 0.00 0.00 61.69 61.51 2r0x s THR 73 Cb -0.14 -3.22 0.42 0.00 1.34 0.00 0.00 72.50 70.90 2r0x s THR 73 CO 0.19 -0.28 2.31 0.00 -0.54 0.00 0.00 174.62 176.30 2r0x h ALA 74 N -0.87 1.12 -0.00 3.99 0.00 -1.20 -1.35 119.26 120.95 2r0x h ALA 74 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2r0x h ALA 74 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2r0x h ALA 74 CO 0.65 0.01 -0.10 0.39 0.00 0.00 0.00 179.25 180.20 2r0x n GLU 75 N -3.26 0.83 -0.87 0.00 4.71 -1.26 -4.29 120.64 116.50 2r0x n GLU 75 Ca -0.03 -0.31 -0.07 0.00 -0.01 0.00 0.00 57.16 56.74 2r0x n GLU 75 Cb 0.10 -1.49 0.21 0.00 -1.01 0.00 0.00 31.44 29.25 2r0x n GLU 75 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2r0x n GLN 76 N -0.82 2.25 0.10 3.49 6.02 -0.51 -4.65 117.38 123.27 2r0x n GLN 76 Ca 0.16 -3.10 -0.00 0.00 -0.01 0.00 0.00 57.00 54.05 2r0x n GLN 76 Cb 0.28 -1.94 0.30 0.00 1.02 0.00 0.00 30.24 29.89 2r0x n GLN 76 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2r0x h SER 77 N 1.26 0.24 -0.76 1.08 4.64 -1.77 -1.76 113.55 116.48 2r0x h SER 77 Ca 0.29 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 2r0x h SER 77 Cb 1.96 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.95 2r0x h SER 77 CO 0.56 0.53 0.34 0.28 -0.87 0.00 0.00 176.83 177.67 2r0x h SER 78 N 0.22 1.02 -0.55 4.97 0.02 -1.95 -1.94 113.55 115.33 2r0x h SER 78 Ca 0.03 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 2r0x h SER 78 Cb 0.61 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2r0x h SER 78 CO 0.04 0.89 0.04 0.25 -1.14 0.00 0.00 176.83 176.91 2r0x h LEU 79 N 1.08 0.92 -0.29 5.07 5.85 -1.82 -1.52 115.31 124.60 2r0x h LEU 79 Ca 0.26 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.75 2r0x h LEU 79 Cb 0.16 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 2r0x h LEU 79 CO -0.03 0.98 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.66 2r0x h SER 80 N 0.83 -0.40 -0.64 1.25 0.87 -1.05 -1.06 113.55 113.35 2r0x h SER 80 Ca 0.16 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2r0x h SER 80 Cb 0.49 0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2r0x h SER 80 CO 0.02 -0.15 0.35 0.78 -0.53 0.00 0.00 176.83 177.30 2r0x h ASN 81 N -0.06 0.80 -0.78 6.23 2.35 -1.12 -2.42 115.58 120.57 2r0x h ASN 81 Ca 0.15 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2r0x h ASN 81 Cb 0.29 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2r0x h ASN 81 CO -0.34 0.67 0.51 0.40 -1.65 0.00 0.00 177.43 177.02 2r0x h ILE 82 N 0.87 1.18 -0.00 2.81 2.04 -0.86 -2.06 117.51 121.48 2r0x h ILE 82 Ca 0.22 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2r0x h ILE 82 Cb 0.05 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2r0x h ILE 82 CO -0.04 0.19 0.00 0.49 0.00 0.00 0.00 178.15 178.79 2r0x n PHE 83 N -4.56 0.00 0.33 1.37 3.01 -0.44 -2.59 117.46 114.59 2r0x n PHE 83 Ca 0.08 -0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.63 2r0x n PHE 83 Cb 0.03 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.65 2r0x n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2r0x n ALA 84 N -0.85 2.39 -2.66 4.37 0.00 -0.79 -1.52 120.51 121.46 2r0x n ALA 84 Ca 0.21 -0.88 -0.25 0.00 0.00 0.00 0.00 53.44 52.51 2r0x n ALA 84 Cb 0.11 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 2r0x n ALA 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2r0x s SER 85 N -1.29 4.69 -1.38 0.00 1.04 -1.07 -5.02 113.70 110.67 2r0x s SER 85 Ca 0.28 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 2r0x s SER 85 Cb 0.17 -0.96 0.07 0.00 0.10 0.00 0.00 66.02 65.40 2r0x s SER 85 CO 0.24 0.06 2.00 -0.81 0.98 0.00 0.00 173.24 175.71 2r0x n PRO 86 N -0.35 3.06 -4.20 4.02 -0.04 -1.26 -4.89 135.00 131.35 2r0x n PRO 86 Ca -0.09 -2.97 -0.27 0.00 -0.04 0.00 0.00 63.50 60.14 2r0x n PRO 86 Cb 0.56 -3.31 -0.08 0.00 -0.04 0.00 0.00 33.50 30.64 2r0x n PRO 86 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r0x s LEU 87 N 2.60 3.34 0.74 1.53 1.43 -1.26 -5.12 118.68 121.94 2r0x s LEU 87 Ca 0.48 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2r0x s LEU 87 Cb 0.10 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2r0x s LEU 87 CO -0.02 0.09 1.23 -0.94 0.23 0.00 0.00 176.35 176.94 2r0x s SER 88 N -2.95 4.05 0.36 2.29 1.04 -1.26 -4.82 113.70 112.41 2r0x s SER 88 Ca 0.28 2.44 0.05 0.00 0.48 0.00 0.00 55.95 59.20 2r0x s SER 88 Cb -0.09 -2.60 0.70 0.00 0.10 0.00 0.00 66.02 64.13 2r0x s SER 88 CO 0.19 -2.37 1.96 1.56 0.98 0.00 0.00 173.24 175.56 2r0x h GLN 89 N -0.31 0.57 -0.50 4.02 1.08 -1.98 -0.77 115.11 117.21 2r0x h GLN 89 Ca -0.48 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 56.65 2r0x h GLN 89 Cb 1.31 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 2r0x h GLN 89 CO 0.49 0.48 0.32 1.49 -0.95 0.00 0.00 178.83 180.67 2r0x h GLU 90 N 0.56 0.66 -0.22 1.46 4.57 -1.91 0.00 114.58 119.71 2r0x h GLU 90 Ca 0.14 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2r0x h GLU 90 Cb 0.14 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2r0x h GLU 90 CO -0.01 0.45 0.07 1.49 -1.18 0.00 0.00 179.01 179.83 2r0x h GLU 91 N 0.67 0.34 0.15 1.92 4.57 -1.82 -2.23 114.58 118.17 2r0x h GLU 91 Ca 0.18 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 2r0x h GLU 91 Cb -0.06 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 2r0x h GLU 91 CO -0.04 0.42 -0.31 0.00 -1.18 0.00 0.00 179.01 177.90 2r0x h ARG 92 N 0.18 -0.53 0.00 1.92 3.08 -0.68 -2.70 114.38 115.66 2r0x h ARG 92 Ca 0.07 0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 2r0x h ARG 92 Cb 0.22 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2r0x h ARG 92 CO -0.00 -0.35 -0.27 0.74 -1.07 0.00 0.00 179.97 179.02 2r0x h PHE 93 N -0.55 0.00 0.00 3.04 -1.00 -0.99 -2.55 116.94 114.89 2r0x h PHE 93 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2r0x h PHE 93 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 2r0x h PHE 93 CO -0.26 0.27 0.04 0.66 -1.61 0.00 0.00 178.31 177.40 2r0x h SER 94 N 0.00 0.00 -0.20 2.17 4.64 -1.05 -2.83 113.55 116.28 2r0x h SER 94 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r0x h SER 94 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2r0x h SER 94 CO 0.03 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.58 2r0x n ASN 95 N -2.36 1.70 -2.55 4.97 3.02 -0.96 -4.92 115.26 114.16 2r0x n ASN 95 Ca -0.02 -1.76 -0.10 0.00 -0.03 0.00 0.00 54.58 52.68 2r0x n ASN 95 Cb 0.07 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2r0x n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r0x n ALA 96 N 0.36 -0.92 -2.53 5.41 0.00 -1.07 -4.99 120.51 116.77 2r0x n ALA 96 Ca 0.15 -1.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.09 2r0x n ALA 96 Cb 0.32 0.94 -0.12 0.00 0.00 0.00 0.00 19.45 20.59 2r0x n ALA 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2r0x s SER 97 N -2.74 4.29 0.01 0.00 0.15 -1.26 -5.01 113.70 109.14 2r0x s SER 97 Ca 0.18 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.71 2r0x s SER 97 Cb -0.03 -0.96 -0.01 0.00 -1.71 0.00 0.00 66.02 63.31 2r0x s SER 97 CO 0.13 0.33 -0.08 0.26 1.20 0.00 0.00 173.24 175.08 2r0x s TRP 98 N -0.81 0.73 0.00 3.44 0.52 -1.26 -1.14 118.94 120.42 2r0x s TRP 98 Ca 0.13 -0.24 0.00 0.00 0.02 0.00 0.00 56.10 56.01 2r0x s TRP 98 Cb -0.11 -0.45 0.00 0.00 -1.15 0.00 0.00 33.47 31.76 2r0x s TRP 98 CO 0.02 -0.02 0.00 0.25 0.02 0.00 0.00 176.95 177.22 2r0x n THR 99 N 2.43 0.00 -4.25 2.01 -2.24 -1.26 -4.96 114.28 106.02 2r0x n THR 99 Ca -0.16 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 2r0x n THR 99 Cb 0.56 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 2r0x n THR 99 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2r0x s THR 100 N -1.20 1.22 0.00 4.28 -4.23 -1.26 -4.45 115.64 110.00 2r0x s THR 100 Ca 0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2r0x s THR 100 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2r0x s THR 100 CO 0.00 -0.69 0.00 0.18 -0.54 0.00 0.00 174.62 173.57 2r0x n LEU 101 N -0.08 0.00 -0.01 4.79 4.77 -1.26 -5.02 117.00 120.18 2r0x n LEU 101 Ca -0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 2r0x n LEU 101 Cb 0.60 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 2r0x n LEU 101 CO 0.32 0.00 -0.56 0.35 -1.33 0.00 0.00 177.39 176.16 2r0x n THR 102 N 0.00 0.13 0.51 -5.08 -2.24 -1.26 -4.77 114.28 101.57 2r0x n THR 102 Ca 0.00 -0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 2r0x n THR 102 Cb 0.00 -0.94 0.25 0.00 -2.10 0.00 0.00 70.33 67.54 2r0x n THR 102 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2r0x h THR 103 N 0.00 0.00 0.00 4.28 1.35 -1.95 -3.47 112.91 113.12 2r0x h THR 103 Ca -0.05 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2r0x h THR 103 Cb 1.12 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2r0x h THR 103 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2r0x n GLY 104 N 1.28 1.82 3.76 5.82 0.00 -1.26 -4.96 105.19 111.65 2r0x n GLY 104 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2r0x n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r0x s SER 105 N -2.83 6.48 0.53 1.61 0.01 -1.26 -4.42 113.70 113.82 2r0x s SER 105 Ca 0.00 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.15 2r0x s SER 105 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2r0x s SER 105 CO 0.00 -0.80 0.00 -2.65 0.41 0.00 0.00 173.24 170.20 2r0x n PRO 106 N 1.41 -0.28 -3.66 12.44 -0.02 -1.26 -4.46 135.00 139.17 2r0x n PRO 106 Ca 0.04 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.34 2r0x n PRO 106 Cb 0.39 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.71 2r0x n PRO 106 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2r0x s LEU 108 N 0.00 -0.00 0.50 2.45 2.96 -1.26 -4.76 118.68 118.57 2r0x s LEU 108 Ca 0.00 0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 53.94 2r0x s LEU 108 Cb 0.00 0.14 -0.07 0.00 0.50 0.00 0.00 46.19 46.76 2r0x s LEU 108 CO 0.00 -0.25 1.10 -1.10 -1.32 0.00 0.00 176.35 174.78 2r0x s GLN 109 N 2.25 3.61 -1.58 1.98 -1.52 -0.29 -3.32 119.66 120.80 2r0x s GLN 109 Ca 0.04 1.54 0.00 0.00 -1.95 0.00 0.00 55.36 54.99 2r0x s GLN 109 Cb -0.12 -2.12 0.00 0.00 -0.22 0.00 0.00 33.01 30.55 2r0x s GLN 109 CO -0.05 -0.62 0.00 -3.47 -0.25 0.00 0.00 175.29 170.90 2r0x n ASP 110 N -1.00 -4.81 -4.87 5.90 2.03 -1.26 -4.73 116.55 107.80 2r0x n ASP 110 Ca 0.10 0.32 -0.30 0.00 0.52 0.00 0.00 54.79 55.43 2r0x n ASP 110 Cb 0.51 -3.70 0.07 0.00 -0.72 0.00 0.00 41.12 37.28 2r0x n ASP 110 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2r0x s ALA 111 N -2.60 2.66 0.06 -1.67 0.00 -1.21 -4.71 121.76 114.30 2r0x s ALA 111 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 2r0x s ALA 111 Cb 0.00 -3.01 -0.14 0.00 0.00 0.00 0.00 23.12 19.97 2r0x s ALA 111 CO 0.00 -1.47 1.32 1.25 0.00 0.00 0.00 175.76 176.86 2r0x h LEU 112 N -0.90 0.58 -7.36 0.00 5.85 -1.05 -3.41 115.31 109.02 2r0x h LEU 112 Ca -0.46 -0.54 -0.10 0.00 0.84 0.00 0.00 57.88 57.62 2r0x h LEU 112 Cb 1.29 -0.17 -0.20 0.00 0.37 0.00 0.00 40.66 41.95 2r0x h LEU 112 CO 0.64 1.01 -0.14 -0.63 -0.34 0.00 0.00 178.44 178.98 2r0x s ILE 113 N -4.08 0.04 -0.11 4.05 1.01 -1.15 -1.64 121.20 119.32 2r0x s ILE 113 Ca -0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2r0x s ILE 113 Cb 0.06 -0.72 0.03 0.00 0.01 0.00 0.00 42.46 41.85 2r0x s ILE 113 CO 0.80 -0.17 -0.03 0.20 0.00 0.00 0.00 174.94 175.74 2r0x s ASN 114 N -1.17 2.15 -0.28 3.58 -0.87 0.42 -0.61 114.94 118.15 2r0x s ASN 114 Ca -0.12 -0.33 -0.02 0.00 -1.57 0.00 0.00 52.86 50.82 2r0x s ASN 114 Cb -0.04 -0.68 0.04 0.00 -0.02 0.00 0.00 41.25 40.55 2r0x s ASN 114 CO 0.06 -0.18 -0.03 -0.36 -2.57 0.00 0.00 177.10 174.02 2r0x s PHE 115 N 1.81 3.19 -0.15 2.20 0.40 -0.07 -1.04 117.98 124.31 2r0x s PHE 115 Ca 0.04 -1.76 -0.16 0.00 -0.60 0.00 0.00 56.93 54.45 2r0x s PHE 115 Cb -0.13 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 2r0x s PHE 115 CO -0.07 -0.78 0.38 0.34 0.70 0.00 0.00 175.22 175.80 2r0x s ASP 116 N 1.28 6.52 0.05 1.36 2.15 0.29 -0.61 116.67 127.72 2r0x s ASP 116 Ca -0.03 0.62 0.02 0.00 0.43 0.00 0.00 52.55 53.58 2r0x s ASP 116 Cb -0.19 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 2r0x s ASP 116 CO -0.02 0.02 -0.07 0.00 -0.17 0.00 0.00 175.17 174.93 2r0x s GLU 118 N -2.20 3.80 -0.83 0.00 2.02 -0.01 -1.53 118.70 119.95 2r0x s GLU 118 Ca -0.04 -0.19 -0.21 0.00 0.02 0.00 0.00 54.97 54.55 2r0x s GLU 118 Cb -0.06 -3.29 0.10 0.00 0.10 0.00 0.00 34.13 30.98 2r0x s GLU 118 CO -0.01 0.53 1.10 0.42 0.02 0.00 0.00 175.26 177.32 2r0x s ILE 119 N -0.31 4.47 -0.15 -1.63 1.01 0.20 -0.97 121.20 123.82 2r0x s ILE 119 Ca 0.11 -0.99 0.18 0.00 0.00 0.00 0.00 60.65 59.96 2r0x s ILE 119 Cb -0.12 -4.78 0.15 0.00 0.01 0.00 0.00 42.46 37.73 2r0x s ILE 119 CO 0.01 -1.54 1.56 0.71 0.00 0.00 0.00 174.94 175.68 2r0x h THR 120 N 6.00 0.63 -2.87 2.92 1.35 -1.39 -3.47 112.91 116.08 2r0x h THR 120 Ca -0.02 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 2r0x h THR 120 Cb 1.04 2.20 -0.13 0.00 -1.73 0.00 0.00 68.15 69.54 2r0x h THR 120 CO 1.17 0.34 0.26 -1.83 -0.25 0.00 0.00 175.52 175.21 2r0x s GLU 121 N -3.15 1.20 -0.07 4.72 -1.05 -1.15 -5.03 118.70 114.16 2r0x s GLU 121 Ca 0.04 -0.44 0.02 0.00 -0.15 0.00 0.00 54.97 54.44 2r0x s GLU 121 Cb 0.08 0.55 0.01 0.00 -0.44 0.00 0.00 34.13 34.33 2r0x s GLU 121 CO 0.71 -0.53 -0.13 0.42 0.95 0.00 0.00 175.26 176.69 2r0x s ILE 122 N -3.63 1.20 -0.07 1.83 1.01 -1.26 -1.22 121.20 119.05 2r0x s ILE 122 Ca 0.02 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.20 2r0x s ILE 122 Cb -0.01 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 2r0x s ILE 122 CO -0.12 0.37 -0.17 -0.54 0.00 0.00 0.00 174.94 174.48 2r0x s LYS 123 N 0.75 2.71 -0.09 2.79 -0.14 -0.33 -4.98 119.74 120.44 2r0x s LYS 123 Ca -0.13 -0.76 -0.19 0.00 -1.36 0.00 0.00 55.97 53.53 2r0x s LYS 123 Cb -0.16 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 2r0x s LYS 123 CO 0.03 0.46 0.52 -1.01 -0.76 0.00 0.00 175.35 174.59 2r0x s HIS 124 N -0.32 3.55 -0.50 3.18 3.76 -1.26 -0.76 115.29 122.94 2r0x s HIS 124 Ca 0.02 0.98 0.07 0.00 -0.15 0.00 0.00 55.06 55.98 2r0x s HIS 124 Cb -0.13 -2.58 0.24 0.00 1.11 0.00 0.00 32.58 31.22 2r0x s HIS 124 CO 0.02 0.19 0.58 0.28 -0.85 0.00 0.00 174.74 174.97 2r0x n VAL 125 N 3.52 0.44 0.00 -0.90 0.31 0.94 -4.96 118.33 117.68 2r0x n VAL 125 Ca -0.06 -4.42 0.00 0.00 -0.01 0.00 0.00 64.34 59.84 2r0x n VAL 125 Cb 0.52 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 2r0x n VAL 125 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2r0x n GLY 126 N 1.39 3.61 0.05 2.92 0.00 -1.26 -2.24 105.19 109.65 2r0x n GLY 126 Ca 0.25 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.31 2r0x n GLY 126 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r0x n THR 127 N 0.00 0.78 -4.44 2.61 -2.24 -1.26 -4.78 114.28 104.95 2r0x n THR 127 Ca 0.00 0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.71 2r0x n THR 127 Cb 0.00 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.18 2r0x n THR 127 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2r0x s HIS 128 N -3.11 2.19 0.18 4.78 4.02 -0.95 -0.81 115.29 121.59 2r0x s HIS 128 Ca 0.07 -0.37 0.10 0.00 1.02 0.00 0.00 55.06 55.88 2r0x s HIS 128 Cb 0.11 -0.98 -0.04 0.00 -1.02 0.00 0.00 32.58 30.64 2r0x s HIS 128 CO 0.37 0.62 -0.18 -0.51 1.02 0.00 0.00 174.74 176.06 2r0x s ASP 129 N -3.31 3.79 -0.27 1.40 1.01 0.53 -0.04 116.67 119.77 2r0x s ASP 129 Ca 0.27 -0.73 -0.10 0.00 0.71 0.00 0.00 52.55 52.70 2r0x s ASP 129 Cb -0.05 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 2r0x s ASP 129 CO 0.13 0.12 0.15 -0.63 0.21 0.00 0.00 175.17 175.15 2r0x s ILE 130 N -1.63 5.01 -0.31 0.77 1.01 0.06 -1.32 121.20 124.79 2r0x s ILE 130 Ca 0.22 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.78 2r0x s ILE 130 Cb -0.09 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 2r0x s ILE 130 CO 0.12 0.28 0.40 -0.76 0.00 0.00 0.00 174.94 174.98 2r0x s LEU 131 N 1.71 4.26 -0.33 2.97 1.43 0.20 -1.18 118.68 127.74 2r0x s LEU 131 Ca 0.07 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 2r0x s LEU 131 Cb -0.16 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 2r0x s LEU 131 CO 0.09 -0.31 0.23 -0.63 0.23 0.00 0.00 176.35 175.96 2r0x s ILE 132 N 2.12 5.25 -0.25 -0.59 1.01 -0.36 -1.56 121.20 126.83 2r0x s ILE 132 Ca 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2r0x s ILE 132 Cb -0.16 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.69 2r0x s ILE 132 CO 0.11 0.02 -0.09 0.00 0.00 0.00 0.00 174.94 174.98 2r0x s LYS 134 N 1.22 4.42 -0.14 0.00 2.20 -0.14 -0.91 119.74 126.39 2r0x s LYS 134 Ca -0.07 1.72 -0.27 0.00 -0.36 0.00 0.00 55.97 56.99 2r0x s LYS 134 Cb -0.19 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 2r0x s LYS 134 CO -0.06 -0.29 0.90 0.42 -0.36 0.00 0.00 175.35 175.96 2r0x s ILE 135 N 1.34 4.84 -0.27 5.43 1.01 -0.40 -0.83 121.20 132.31 2r0x s ILE 135 Ca 0.58 1.79 0.06 0.00 0.00 0.00 0.00 60.65 63.07 2r0x s ILE 135 Cb -0.28 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 2r0x s ILE 135 CO 0.27 0.02 0.25 1.33 0.00 0.00 0.00 174.94 176.81 2r0x n VAL 136 N 4.65 0.00 -3.53 2.92 0.24 0.64 -4.84 118.33 118.41 2r0x n VAL 136 Ca 0.06 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.34 61.83 2r0x n VAL 136 Cb 0.49 0.99 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 2r0x n VAL 136 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2r0x s ASP 137 N -1.57 -0.64 -0.00 -1.34 -1.08 -1.05 -4.99 116.67 106.00 2r0x s ASP 137 Ca 0.02 0.74 0.00 0.00 -0.52 0.00 0.00 52.55 52.79 2r0x s ASP 137 Cb 0.04 0.58 -0.00 0.00 -1.46 0.00 0.00 42.92 42.08 2r0x s ASP 137 CO 0.24 -0.56 -0.01 -0.63 0.52 0.00 0.00 175.17 174.73 2r0x s ILE 138 N -1.08 0.09 -0.04 4.11 1.01 -1.26 -0.55 121.20 123.49 2r0x s ILE 138 Ca -0.09 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.55 2r0x s ILE 138 Cb -0.00 -0.09 -0.00 0.00 0.01 0.00 0.00 42.46 42.37 2r0x s ILE 138 CO 0.09 0.02 -0.18 -2.28 0.00 0.00 0.00 174.94 172.59 2r0x s HIS 139 N -0.03 1.79 0.07 3.97 5.65 -0.21 -5.00 115.29 121.52 2r0x s HIS 139 Ca 0.00 -0.51 0.06 0.00 0.25 0.00 0.00 55.06 54.87 2r0x s HIS 139 Cb -0.01 -1.20 -0.03 0.00 -1.18 0.00 0.00 32.58 30.17 2r0x s HIS 139 CO -0.00 -0.17 -0.17 1.14 -0.65 0.00 0.00 174.74 174.89 2r0x s GLN 140 N 0.01 1.03 0.71 2.88 -2.07 -1.26 -0.44 119.66 120.52 2r0x s GLN 140 Ca -0.04 -0.97 -0.06 0.00 -1.82 0.00 0.00 55.36 52.47 2r0x s GLN 140 Cb -0.12 -1.14 0.07 0.00 -1.09 0.00 0.00 33.01 30.73 2r0x s GLN 140 CO 0.02 0.27 1.01 -1.54 -1.32 0.00 0.00 175.29 173.73 2r0x s SER 141 N -1.56 4.72 0.00 12.60 1.04 -0.65 -5.00 113.70 124.85 2r0x s SER 141 Ca 0.03 0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.83 2r0x s SER 141 Cb -0.09 -0.95 -0.01 0.00 0.10 0.00 0.00 66.02 65.07 2r0x s SER 141 CO 0.03 -1.64 -0.11 0.20 0.98 0.00 0.00 173.24 172.69 2r0x s ASN 142 N -4.55 1.33 -1.32 7.02 0.02 -1.26 -4.88 114.94 111.30 2r0x s ASN 142 Ca 0.61 -0.25 -0.01 0.00 -1.02 0.00 0.00 52.86 52.18 2r0x s ASN 142 Cb -0.10 -0.13 0.00 0.00 0.02 0.00 0.00 41.25 41.04 2r0x s ASN 142 CO 0.45 0.10 0.17 0.00 0.02 0.00 0.00 177.10 177.84 2r0x n ALA 143 N 2.61 -0.58 -2.66 0.60 0.00 -1.26 -5.00 120.51 114.23 2r0x n ALA 143 Ca -0.15 0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 2r0x n ALA 143 Cb 0.56 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 2r0x n ALA 143 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2r0x s LYS 144 N -5.03 2.33 -0.02 0.00 1.02 -1.26 -5.13 119.74 111.65 2r0x s LYS 144 Ca 0.09 -1.39 -0.03 0.00 0.02 0.00 0.00 55.97 54.65 2r0x s LYS 144 Cb -0.04 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 2r0x s LYS 144 CO 0.11 0.37 0.16 -0.80 -0.92 0.00 0.00 175.35 174.26 2r0x s ASN 145 N -3.68 6.25 0.20 2.83 0.02 -1.26 -5.05 114.94 114.24 2r0x s ASN 145 Ca 0.31 0.33 -0.16 0.00 -1.02 0.00 0.00 52.86 52.33 2r0x s ASN 145 Cb -0.06 -1.95 -0.08 0.00 0.02 0.00 0.00 41.25 39.18 2r0x s ASN 145 CO 0.20 0.29 0.62 0.00 0.02 0.00 0.00 177.10 178.23 2r0x s ALA 146 N -1.26 3.50 0.02 0.60 0.00 0.34 -0.94 121.76 124.02 2r0x s ALA 146 Ca 0.25 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.90 2r0x s ALA 146 Cb -0.12 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2r0x s ALA 146 CO 0.16 0.41 0.87 -1.17 0.00 0.00 0.00 175.76 176.02 2r0x s LEU 147 N -2.16 4.41 -0.00 0.00 2.96 -0.77 -1.13 118.68 121.98 2r0x s LEU 147 Ca 0.42 1.55 0.04 0.00 -0.22 0.00 0.00 54.13 55.92 2r0x s LEU 147 Cb -0.15 -3.40 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 2r0x s LEU 147 CO 0.20 -0.12 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.29 2r0x s VAL 148 N 0.47 1.01 -0.17 1.68 1.01 -0.41 -3.22 120.40 120.76 2r0x s VAL 148 Ca 0.45 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2r0x s VAL 148 Cb -0.21 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2r0x s VAL 148 CO 0.25 0.25 -0.08 -0.47 0.00 0.00 0.00 175.10 175.06 2r0x s TYR 149 N -0.35 2.91 -0.25 5.22 5.04 0.20 -0.42 117.35 129.69 2r0x s TYR 149 Ca 0.04 -0.72 -0.26 0.00 -2.44 0.00 0.00 57.07 53.70 2r0x s TYR 149 Cb -0.05 -1.97 0.08 0.00 0.35 0.00 0.00 41.96 40.37 2r0x s TYR 149 CO -0.00 -0.32 0.77 0.50 -1.34 0.00 0.00 175.55 175.15 2r0x s ARG 150 N 0.81 0.81 -1.56 4.97 3.52 -0.59 -1.52 118.95 125.39 2r0x s ARG 150 Ca -0.03 0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 56.40 2r0x s ARG 150 Cb -0.15 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.64 2r0x s ARG 150 CO 0.01 -0.12 0.16 0.09 -0.81 0.00 0.00 175.30 174.64 2r0x n ASN 151 N 2.40 -5.44 -1.01 -2.12 5.03 0.17 -2.38 115.26 111.91 2r0x n ASN 151 Ca -0.14 -0.06 -0.13 0.00 0.87 0.00 0.00 54.58 55.12 2r0x n ASN 151 Cb 0.55 -4.51 -0.06 0.00 -1.02 0.00 0.00 39.78 34.75 2r0x n ASN 151 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2r0x n ARG 152 N -3.24 -0.98 -4.24 3.52 1.74 -1.26 -4.98 116.66 107.21 2r0x n ARG 152 Ca -0.18 0.95 -0.14 0.00 -0.77 0.00 0.00 57.85 57.71 2r0x n ARG 152 Cb 0.65 -5.04 -0.10 0.00 -1.02 0.00 0.00 32.46 26.95 2r0x n ARG 152 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2r0x s VAL 153 N -2.45 0.43 0.30 1.55 -7.23 -1.00 -5.17 120.40 106.82 2r0x s VAL 153 Ca 0.00 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2r0x s VAL 153 Cb 0.00 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2r0x s VAL 153 CO 0.00 -0.24 0.52 -0.31 -0.31 0.00 0.00 175.10 174.76 2r0x s TYR 154 N -3.84 3.49 0.06 2.82 2.02 -1.26 -1.54 117.35 119.10 2r0x s TYR 154 Ca 0.31 0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 57.37 2r0x s TYR 154 Cb 0.07 -1.95 -0.00 0.00 -0.40 0.00 0.00 41.96 39.68 2r0x s TYR 154 CO 0.08 0.19 0.17 -1.01 -1.57 0.00 0.00 175.55 173.42 2r0x s HIS 155 N -2.15 0.13 -0.19 2.71 3.76 0.43 -4.96 115.29 115.04 2r0x s HIS 155 Ca 0.41 -0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 54.83 2r0x s HIS 155 Cb -0.10 -0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.50 2r0x s HIS 155 CO 0.33 -0.47 -0.07 0.45 -0.85 0.00 0.00 174.74 174.13 2r0x s SER 156 N -2.44 4.25 0.00 1.40 0.15 -1.26 -1.28 113.70 114.52 2r0x s SER 156 Ca -0.00 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2r0x s SER 156 Cb 0.02 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2r0x s SER 156 CO -0.07 0.06 0.43 0.52 1.20 0.00 0.00 173.24 175.38