#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6x h PRO 9 N 0.00 0.86 -0.24 -0.67 0.13 -2.05 -2.05 132.00 127.98 1i6x h PRO 9 Ca 0.00 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1i6x h PRO 9 Cb 0.00 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 30.96 1i6x h PRO 9 CO 0.00 0.67 0.06 1.15 -0.23 0.00 0.00 178.00 179.65 1i6x h THR 10 N 0.83 1.21 -0.39 1.56 2.02 -2.04 -2.29 112.91 113.81 1i6x h THR 10 Ca 0.21 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1i6x h THR 10 Cb 0.08 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1i6x h THR 10 CO -0.03 0.22 -0.13 -0.07 0.37 0.00 0.00 175.52 175.88 1i6x h LEU 11 N 0.20 0.79 -1.15 2.58 3.38 -1.99 -0.63 115.31 118.49 1i6x h LEU 11 Ca 0.07 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1i6x h LEU 11 Cb 0.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1i6x h LEU 11 CO 0.00 0.99 0.32 -0.33 0.09 0.00 0.00 178.44 179.52 1i6x h GLU 12 N 0.58 0.92 -0.01 1.13 4.39 -1.40 -0.45 114.58 119.75 1i6x h GLU 12 Ca 0.09 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1i6x h GLU 12 Cb 0.66 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1i6x h GLU 12 CO 0.05 0.70 0.01 2.35 -1.16 0.00 0.00 179.01 180.95 1i6x h TRP 13 N 0.92 0.02 -0.20 4.33 7.01 -1.18 -1.00 115.95 125.84 1i6x h TRP 13 Ca 0.23 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.28 1i6x h TRP 13 Cb 0.08 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.07 1i6x h TRP 13 CO 0.01 0.13 -0.19 0.35 -2.79 0.00 0.00 178.44 175.95 1i6x h PHE 14 N -0.10 -0.49 -0.52 2.65 3.57 -0.46 -2.30 116.94 119.28 1i6x h PHE 14 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1i6x h PHE 14 Cb 0.12 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1i6x h PHE 14 CO -0.04 -0.26 0.25 -0.07 -2.23 0.00 0.00 178.31 175.96 1i6x h LEU 15 N -0.20 0.65 -2.96 0.59 3.38 -0.99 -2.17 115.31 113.61 1i6x h LEU 15 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i6x h LEU 15 Cb 0.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1i6x h LEU 15 CO -0.32 0.56 0.00 0.77 0.09 0.00 0.00 178.44 179.54 1i6x h SER 16 N 0.73 0.00 -0.26 -0.43 4.64 -0.58 0.13 113.55 117.77 1i6x h SER 16 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1i6x h SER 16 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1i6x h SER 16 CO -0.02 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.35 1i6x n HIS 17 N -3.07 0.32 -4.00 4.77 8.25 -0.82 -4.95 115.22 115.73 1i6x n HIS 17 Ca -0.03 -0.16 -0.22 0.00 -0.26 0.00 0.00 57.72 57.05 1i6x n HIS 17 Cb 0.07 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 1i6x n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i6x s HIS 19 N -2.35 3.05 -0.11 0.00 0.00 -0.54 -4.86 115.29 110.48 1i6x s HIS 19 Ca 0.38 -0.34 -0.05 0.00 -3.00 0.00 0.00 55.06 52.05 1i6x s HIS 19 Cb -0.04 -2.02 -0.04 0.00 -4.00 0.00 0.00 32.58 26.48 1i6x s HIS 19 CO 0.24 -0.11 0.09 0.42 -1.00 0.00 0.00 174.74 174.38 1i6x s ILE 20 N 0.62 5.06 0.04 -5.38 1.01 -1.26 -0.96 121.20 120.32 1i6x s ILE 20 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1i6x s ILE 20 Cb -0.14 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1i6x s ILE 20 CO 0.02 0.61 -0.07 -1.00 0.00 0.00 0.00 174.94 174.51 1i6x s HIS 21 N -0.94 0.57 -0.10 3.97 3.76 -0.10 -4.95 115.29 117.50 1i6x s HIS 21 Ca 0.14 -0.50 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 1i6x s HIS 21 Cb -0.12 -0.35 -0.05 0.00 1.11 0.00 0.00 32.58 33.18 1i6x s HIS 21 CO 0.03 -0.11 0.35 0.15 -0.85 0.00 0.00 174.74 174.32 1i6x s LYS 22 N -1.52 4.09 -0.12 1.40 1.02 -1.26 0.00 119.74 123.35 1i6x s LYS 22 Ca -0.11 0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.14 1i6x s LYS 22 Cb -0.10 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1i6x s LYS 22 CO 0.00 0.42 -0.15 0.71 -0.92 0.00 0.00 175.35 175.41 1i6x s TYR 23 N -0.14 2.09 0.98 3.18 2.02 0.16 -4.97 117.35 120.67 1i6x s TYR 23 Ca 0.21 -1.05 -0.15 0.00 -0.37 0.00 0.00 57.07 55.71 1i6x s TYR 23 Cb -0.15 -1.51 0.18 0.00 -0.40 0.00 0.00 41.96 40.09 1i6x s TYR 23 CO 0.08 -0.55 1.17 -1.25 -1.57 0.00 0.00 175.55 173.44 1i6x s PRO 24 N 1.13 0.56 0.60 -1.71 0.04 -1.26 0.45 135.00 134.80 1i6x s PRO 24 Ca -0.03 0.06 -0.19 0.00 0.04 0.00 0.00 61.00 60.88 1i6x s PRO 24 Cb -0.14 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1i6x s PRO 24 CO -0.05 -2.55 1.24 -1.12 0.04 0.00 0.00 177.00 174.56 1i6x s SER 25 N -4.20 5.08 0.00 6.66 0.01 -1.26 -2.73 113.70 117.25 1i6x s SER 25 Ca 0.67 2.47 0.00 0.00 1.31 0.00 0.00 55.95 60.41 1i6x s SER 25 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1i6x s SER 25 CO 0.54 -1.68 0.00 0.29 0.41 0.00 0.00 173.24 172.80 1i6x n LYS 26 N -1.60 -0.11 -2.70 12.44 5.02 -0.14 -4.97 118.16 126.11 1i6x n LYS 26 Ca 0.14 0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 56.07 1i6x n LYS 26 Cb 0.49 -3.50 -0.06 0.00 -0.02 0.00 0.00 35.03 31.94 1i6x n LYS 26 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1i6x s SER 27 N -2.47 7.40 -0.27 4.39 0.15 -1.11 -4.79 113.70 117.01 1i6x s SER 27 Ca 0.00 1.96 -0.15 0.00 0.70 0.00 0.00 55.95 58.46 1i6x s SER 27 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1i6x s SER 27 CO 0.00 -0.02 0.38 -0.89 1.20 0.00 0.00 173.24 173.91 1i6x s THR 28 N -1.38 5.17 -0.06 6.45 2.01 -1.26 0.03 115.64 126.59 1i6x s THR 28 Ca 0.46 0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.97 1i6x s THR 28 Cb -0.24 -3.71 -0.29 0.00 0.01 0.00 0.00 72.50 68.28 1i6x s THR 28 CO 0.30 0.15 0.60 -0.07 -0.69 0.00 0.00 174.62 174.91 1i6x h LEU 29 N 8.62 0.50 -8.04 4.42 3.38 -1.34 -3.47 115.31 119.37 1i6x h LEU 29 Ca -0.31 -0.85 -0.44 0.00 0.09 0.00 0.00 57.88 56.36 1i6x h LEU 29 Cb 1.16 -0.16 -0.30 0.00 0.09 0.00 0.00 40.66 41.45 1i6x h LEU 29 CO 0.65 1.73 -0.79 -0.63 0.09 0.00 0.00 178.44 179.48 1i6x s ILE 30 N -2.58 0.89 -0.20 1.22 1.01 -1.13 -4.97 121.20 115.44 1i6x s ILE 30 Ca -0.17 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1i6x s ILE 30 Cb 0.06 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 1i6x s ILE 30 CO 0.83 0.27 0.02 -1.00 0.00 0.00 0.00 174.94 175.05 1i6x s HIS 31 N 0.05 3.09 0.44 3.97 3.76 -1.26 -1.73 115.29 123.60 1i6x s HIS 31 Ca -0.01 -0.32 -0.25 0.00 -0.15 0.00 0.00 55.06 54.33 1i6x s HIS 31 Cb -0.08 -2.09 -0.09 0.00 1.11 0.00 0.00 32.58 31.43 1i6x s HIS 31 CO 0.00 -0.15 1.36 0.94 -0.85 0.00 0.00 174.74 176.04 1i6x n GLN 32 N 4.13 2.10 0.00 1.40 7.27 -1.20 -2.73 117.38 128.35 1i6x n GLN 32 Ca -0.17 0.75 0.00 0.00 0.07 0.00 0.00 57.00 57.65 1i6x n GLN 32 Cb 0.52 -2.52 0.00 0.00 2.41 0.00 0.00 30.24 30.65 1i6x n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1i6x n GLY 33 N 0.68 3.29 3.83 1.69 0.00 -0.73 -4.93 105.19 109.02 1i6x n GLY 33 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1i6x n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i6x s GLU 34 N -0.60 3.86 0.31 1.61 0.41 -1.11 -4.62 118.70 118.57 1i6x s GLU 34 Ca 0.00 1.07 -0.29 0.00 -0.41 0.00 0.00 54.97 55.34 1i6x s GLU 34 Cb 0.00 -2.12 -0.11 0.00 -1.78 0.00 0.00 34.13 30.13 1i6x s GLU 34 CO 0.00 -0.35 1.43 0.21 -0.49 0.00 0.00 175.26 176.06 1i6x s LYS 35 N -3.83 4.24 -0.23 1.61 2.20 -1.26 -0.34 119.74 122.13 1i6x s LYS 35 Ca 0.61 2.38 -0.08 0.00 -0.36 0.00 0.00 55.97 58.52 1i6x s LYS 35 Cb -0.12 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1i6x s LYS 35 CO 0.28 -0.40 0.08 0.00 -0.36 0.00 0.00 175.35 174.95 1i6x s ALA 36 N -0.66 3.30 0.00 3.13 0.00 0.03 -4.78 121.76 122.79 1i6x s ALA 36 Ca 0.55 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1i6x s ALA 36 Cb -0.43 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1i6x s ALA 36 CO 0.52 -0.25 0.23 0.39 0.00 0.00 0.00 175.76 176.65 1i6x n GLU 37 N 4.43 0.04 -4.04 0.00 1.02 -1.26 -4.63 120.64 116.19 1i6x n GLU 37 Ca -0.16 -0.24 -0.10 0.00 -0.02 0.00 0.00 57.16 56.64 1i6x n GLU 37 Cb 0.52 -0.53 -0.11 0.00 -0.02 0.00 0.00 31.44 31.30 1i6x n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1i6x s THR 38 N -0.02 0.29 0.02 2.62 -4.23 -1.26 -1.12 115.64 111.94 1i6x s THR 38 Ca 0.00 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1i6x s THR 38 Cb 0.00 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 1i6x s THR 38 CO 0.00 -0.63 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.16 1i6x s LEU 39 N -1.99 3.13 0.28 4.79 2.96 0.22 -4.77 118.68 123.31 1i6x s LEU 39 Ca -0.07 -0.19 0.12 0.00 -0.22 0.00 0.00 54.13 53.77 1i6x s LEU 39 Cb -0.04 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1i6x s LEU 39 CO -0.03 0.27 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.78 1i6x s TYR 40 N -1.03 2.33 -0.15 5.38 2.02 0.95 -1.04 117.35 125.81 1i6x s TYR 40 Ca 0.18 -0.33 -0.06 0.00 -0.37 0.00 0.00 57.07 56.49 1i6x s TYR 40 Cb -0.11 -1.03 0.07 0.00 -0.40 0.00 0.00 41.96 40.49 1i6x s TYR 40 CO 0.08 0.70 0.31 -0.47 -1.57 0.00 0.00 175.55 174.61 1i6x s TYR 41 N -2.50 -0.52 -0.42 2.71 5.04 -0.56 -0.90 117.35 120.20 1i6x s TYR 41 Ca 0.30 1.11 -0.29 0.00 -2.44 0.00 0.00 57.07 55.76 1i6x s TYR 41 Cb -0.05 0.09 0.02 0.00 0.35 0.00 0.00 41.96 42.37 1i6x s TYR 41 CO 0.15 -0.37 1.20 0.42 -1.34 0.00 0.00 175.55 175.62 1i6x s ILE 42 N 2.22 4.18 0.03 3.14 1.01 -0.48 -0.78 121.20 130.53 1i6x s ILE 42 Ca -0.02 1.25 0.09 0.00 0.00 0.00 0.00 60.65 61.97 1i6x s ILE 42 Cb -0.11 -4.44 -0.23 0.00 0.01 0.00 0.00 42.46 37.69 1i6x s ILE 42 CO -0.10 -0.81 0.96 0.58 0.00 0.00 0.00 174.94 175.57 1i6x h VAL 43 N 6.17 1.26 -2.01 2.92 2.07 -1.44 -0.26 116.25 124.97 1i6x h VAL 43 Ca -0.24 -3.04 -0.06 0.00 0.82 0.00 0.00 66.70 64.19 1i6x h VAL 43 Cb 1.07 2.64 -0.19 0.00 -1.52 0.00 0.00 31.29 33.29 1i6x h VAL 43 CO 1.09 0.74 0.18 -0.54 0.02 0.00 0.00 177.57 179.06 1i6x s LYS 44 N -2.65 1.02 0.00 1.57 1.02 -1.02 -4.71 119.74 114.97 1i6x s LYS 44 Ca -0.03 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1i6x s LYS 44 Cb 0.09 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.88 1i6x s LYS 44 CO 0.82 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 1i6x n GLY 45 N 1.25 -1.78 3.01 -3.33 0.00 -1.26 -1.70 105.19 101.38 1i6x n GLY 45 Ca -0.18 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 1i6x n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i6x s SER 46 N -3.76 0.32 0.12 1.61 0.01 -1.26 -3.13 113.70 107.61 1i6x s SER 46 Ca 0.00 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.64 1i6x s SER 46 Cb 0.00 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1i6x s SER 46 CO 0.00 -0.38 -0.03 0.68 0.41 0.00 0.00 173.24 173.93 1i6x s VAL 47 N -2.10 0.54 -0.12 3.43 -7.23 -0.57 0.40 120.40 114.74 1i6x s VAL 47 Ca -0.10 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.14 1i6x s VAL 47 Cb -0.05 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1i6x s VAL 47 CO -0.03 -0.73 -0.10 0.00 -0.31 0.00 0.00 175.10 173.93 1i6x s ALA 48 N -3.73 2.78 -0.29 1.32 0.00 0.14 -1.42 121.76 120.55 1i6x s ALA 48 Ca 0.16 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1i6x s ALA 48 Cb 0.06 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1i6x s ALA 48 CO -0.02 0.32 0.20 0.08 0.00 0.00 0.00 175.76 176.33 1i6x s VAL 49 N 0.08 5.26 0.05 0.00 1.01 0.11 -1.06 120.40 125.85 1i6x s VAL 49 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1i6x s VAL 49 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1i6x s VAL 49 CO 0.04 0.19 -0.04 -1.48 0.00 0.00 0.00 175.10 173.81 1i6x s LEU 50 N 1.74 2.41 0.16 3.92 0.05 0.58 0.20 118.68 127.74 1i6x s LEU 50 Ca 0.07 -0.84 0.11 0.00 0.05 0.00 0.00 54.13 53.52 1i6x s LEU 50 Cb -0.16 0.08 -0.04 0.00 -2.05 0.00 0.00 46.19 44.02 1i6x s LEU 50 CO 0.11 -0.46 -0.25 0.27 -0.55 0.00 0.00 176.35 175.47 1i6x s ILE 51 N -3.02 2.25 0.15 1.48 -4.36 -0.46 -1.15 121.20 116.09 1i6x s ILE 51 Ca 0.01 -1.88 0.07 0.00 -0.26 0.00 0.00 60.65 58.59 1i6x s ILE 51 Cb 0.01 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1i6x s ILE 51 CO -0.06 -0.03 -0.14 -0.54 0.24 0.00 0.00 174.94 174.41 1i6x s LYS 52 N -2.36 1.15 -0.04 0.37 1.02 -1.26 -1.36 119.74 117.26 1i6x s LYS 52 Ca 0.17 -1.39 0.06 0.00 0.02 0.00 0.00 55.97 54.83 1i6x s LYS 52 Cb -0.09 -0.99 0.09 0.00 -0.52 0.00 0.00 37.83 36.33 1i6x s LYS 52 CO 0.08 0.18 1.02 1.58 -0.92 0.00 0.00 175.35 177.28 1i6x n HIS 53 N 0.15 0.00 -2.58 3.18 -0.00 -0.97 -4.99 115.22 110.01 1i6x n HIS 53 Ca -0.12 -0.61 -0.09 0.00 0.46 0.00 0.00 57.72 57.36 1i6x n HIS 53 Cb 0.58 -0.08 -0.02 0.00 -0.12 0.00 0.00 29.99 30.36 1i6x n HIS 53 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1i6x n GLU 54 N -0.76 -2.16 -0.84 1.57 -0.58 -1.26 -4.70 120.64 111.91 1i6x n GLU 54 Ca 0.05 0.03 0.02 0.00 -0.42 0.00 0.00 57.16 56.84 1i6x n GLU 54 Cb 0.41 -3.69 0.17 0.00 -0.57 0.00 0.00 31.44 27.76 1i6x n GLU 54 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1i6x n GLU 55 N -2.36 1.72 -1.03 3.49 4.07 -1.26 -4.87 120.64 120.39 1i6x n GLU 55 Ca 0.02 -3.32 -0.01 0.00 -0.06 0.00 0.00 57.16 53.79 1i6x n GLU 55 Cb 0.40 -1.59 -0.00 0.00 -0.06 0.00 0.00 31.44 30.18 1i6x n GLU 55 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1i6x n GLY 56 N -0.96 0.49 2.85 8.31 0.00 -1.26 -5.00 105.19 109.62 1i6x n GLY 56 Ca 0.21 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1i6x n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i6x s LYS 57 N -1.38 1.21 0.29 1.61 1.02 -1.26 -4.58 119.74 116.65 1i6x s LYS 57 Ca 0.00 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 55.62 1i6x s LYS 57 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1i6x s LYS 57 CO 0.00 -0.47 0.04 -1.21 -0.92 0.00 0.00 175.35 172.80 1i6x s GLU 58 N 1.70 2.35 -0.04 1.68 2.02 -1.26 -2.28 118.70 122.86 1i6x s GLU 58 Ca 0.00 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.55 1i6x s GLU 58 Cb -0.15 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 31.92 1i6x s GLU 58 CO -0.07 0.30 0.02 1.41 0.02 0.00 0.00 175.26 176.94 1i6x s MET 59 N -3.73 0.20 -0.39 1.61 -2.45 -0.46 -3.95 119.30 110.14 1i6x s MET 59 Ca 0.33 0.19 -0.23 0.00 -1.25 0.00 0.00 55.69 54.73 1i6x s MET 59 Cb -0.05 -0.56 0.01 0.00 1.25 0.00 0.00 34.83 35.48 1i6x s MET 59 CO 0.21 -0.23 0.80 0.42 1.05 0.00 0.00 175.02 177.27 1i6x s ILE 60 N 1.58 4.69 0.23 10.11 1.01 0.10 -1.35 121.20 137.57 1i6x s ILE 60 Ca -0.02 0.79 0.07 0.00 0.00 0.00 0.00 60.65 61.49 1i6x s ILE 60 Cb -0.13 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.02 1i6x s ILE 60 CO -0.03 -0.53 1.54 -0.07 0.00 0.00 0.00 174.94 175.85 1i6x h LEU 61 N 9.90 0.14 -7.00 2.97 3.38 -0.58 -3.46 115.31 120.67 1i6x h LEU 61 Ca -0.25 -0.09 0.31 0.00 0.09 0.00 0.00 57.88 57.94 1i6x h LEU 61 Cb 1.09 -0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.59 1i6x h LEU 61 CO 0.93 0.77 0.95 -0.55 0.09 0.00 0.00 178.44 180.64 1i6x s SER 62 N -6.87 -0.04 -0.04 -0.43 0.15 -1.15 -4.95 113.70 100.37 1i6x s SER 62 Ca -0.02 0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 1i6x s SER 62 Cb 0.12 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1i6x s SER 62 CO 0.79 -0.06 0.06 -0.31 1.20 0.00 0.00 173.24 174.92 1i6x s TYR 63 N -2.03 3.27 0.09 3.44 2.02 -1.26 0.07 117.35 122.94 1i6x s TYR 63 Ca 0.11 0.23 0.08 0.00 -0.37 0.00 0.00 57.07 57.12 1i6x s TYR 63 Cb -0.01 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1i6x s TYR 63 CO -0.03 0.54 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.78 1i6x s LEU 64 N -1.40 2.27 0.00 -1.29 1.43 -0.51 -4.96 118.68 114.22 1i6x s LEU 64 Ca 0.19 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1i6x s LEU 64 Cb -0.12 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 1i6x s LEU 64 CO 0.09 0.06 0.02 0.59 0.23 0.00 0.00 176.35 177.35 1i6x n ASN 65 N 1.25 0.69 -4.62 2.29 4.13 -1.26 -1.52 115.26 116.22 1i6x n ASN 65 Ca -0.19 -1.28 -0.50 0.00 1.68 0.00 0.00 54.58 54.28 1i6x n ASN 65 Cb 0.54 0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.88 1i6x n ASN 65 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1i6x n GLN 66 N -0.11 1.45 -0.18 3.52 7.27 -1.18 -0.76 117.38 127.38 1i6x n GLN 66 Ca -0.00 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.59 1i6x n GLN 66 Cb 0.08 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 30.52 1i6x n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1i6x n GLY 67 N 2.84 0.71 3.87 1.69 0.00 -0.11 -5.03 105.19 109.16 1i6x n GLY 67 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1i6x n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6x s ASP 68 N -2.85 6.57 0.46 1.61 -0.00 0.06 -4.91 116.67 117.61 1i6x s ASP 68 Ca 0.00 0.68 -0.10 0.00 -0.00 0.00 0.00 52.55 53.12 1i6x s ASP 68 Cb 0.00 -2.14 -0.06 0.00 -0.00 0.00 0.00 42.92 40.72 1i6x s ASP 68 CO 0.00 0.33 0.83 -0.36 -0.00 0.00 0.00 175.17 175.97 1i6x s PHE 69 N -1.13 3.51 0.03 4.23 0.08 -1.26 -1.38 117.98 122.04 1i6x s PHE 69 Ca 0.22 1.08 -0.05 0.00 0.12 0.00 0.00 56.93 58.30 1i6x s PHE 69 Cb -0.14 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.81 1i6x s PHE 69 CO 0.11 -0.25 0.09 0.42 -0.10 0.00 0.00 175.22 175.49 1i6x s ILE 70 N -2.58 0.12 -1.12 0.64 1.01 -0.08 -4.87 121.20 114.32 1i6x s ILE 70 Ca 0.52 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1i6x s ILE 70 Cb -0.10 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1i6x s ILE 70 CO 0.37 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.39 1i6x n GLY 71 N 1.06 -0.02 0.17 6.18 0.00 -1.26 -0.04 105.19 111.28 1i6x n GLY 71 Ca -0.21 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1i6x n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1i6x h GLU 72 N 0.00 0.00 0.00 1.61 9.09 -1.89 -3.38 114.58 120.01 1i6x h GLU 72 Ca -0.30 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.11 1i6x h GLU 72 Cb 1.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1i6x h GLU 72 CO 0.36 0.06 -0.00 -0.07 0.05 0.00 0.00 179.01 179.40 1i6x h LEU 73 N 0.00 0.00 -3.04 3.06 4.07 -1.96 -2.46 115.31 114.99 1i6x h LEU 73 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1i6x h LEU 73 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1i6x h LEU 73 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 1i6x n GLY 74 N -0.92 2.85 0.19 0.83 0.00 -1.26 -4.56 105.19 102.31 1i6x n GLY 74 Ca -0.02 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1i6x n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i6x h LEU 75 N 3.52 0.00 -1.25 0.99 5.85 -1.70 -3.34 115.31 119.38 1i6x h LEU 75 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1i6x h LEU 75 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1i6x h LEU 75 CO 0.15 0.27 -0.30 0.49 -0.34 0.00 0.00 178.44 178.71 1i6x n PHE 76 N -3.22 0.00 -3.68 1.25 3.72 -1.26 -4.88 117.46 109.38 1i6x n PHE 76 Ca 0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 1i6x n PHE 76 Cb 0.59 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 39.01 1i6x n PHE 76 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1i6x s GLU 77 N -2.32 0.31 0.88 -1.08 2.02 -1.25 -5.16 118.70 112.09 1i6x s GLU 77 Ca 0.22 0.83 -0.12 0.00 0.02 0.00 0.00 54.97 55.93 1i6x s GLU 77 Cb 0.19 0.07 0.12 0.00 0.10 0.00 0.00 34.13 34.61 1i6x s GLU 77 CO 0.48 -0.21 1.09 -1.21 0.02 0.00 0.00 175.26 175.43 1i6x s GLU 78 N 1.93 1.41 -0.77 1.61 2.02 -1.26 -3.99 118.70 119.65 1i6x s GLU 78 Ca -0.05 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.71 1i6x s GLU 78 Cb -0.10 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.30 1i6x s GLU 78 CO -0.12 -2.12 0.00 0.41 0.02 0.00 0.00 175.26 173.45 1i6x n GLY 79 N -1.35 0.45 3.84 -1.39 0.00 -1.26 -5.03 105.19 100.45 1i6x n GLY 79 Ca 0.07 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1i6x n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i6x s GLN 80 N -3.68 2.95 0.26 1.61 -0.21 -1.26 -5.01 119.66 114.33 1i6x s GLN 80 Ca 0.00 -1.06 0.10 0.00 0.02 0.00 0.00 55.36 54.42 1i6x s GLN 80 Cb 0.00 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 1i6x s GLN 80 CO 0.00 0.36 -0.04 -1.21 -2.12 0.00 0.00 175.29 172.28 1i6x s GLU 81 N -3.88 2.19 0.14 2.91 2.02 -1.26 -0.79 118.70 120.03 1i6x s GLU 81 Ca 0.34 -1.45 -0.31 0.00 0.02 0.00 0.00 54.97 53.57 1i6x s GLU 81 Cb -0.08 -2.11 -0.11 0.00 0.10 0.00 0.00 34.13 31.94 1i6x s GLU 81 CO 0.26 0.37 1.81 1.03 0.02 0.00 0.00 175.26 178.74 1i6x s ARG 82 N -3.56 4.14 0.00 1.61 1.81 0.54 -4.80 118.95 118.69 1i6x s ARG 82 Ca 0.30 2.59 0.24 0.00 -1.72 0.00 0.00 55.73 57.15 1i6x s ARG 82 Cb -0.06 -3.51 1.15 0.00 -0.45 0.00 0.00 34.95 32.08 1i6x s ARG 82 CO 0.19 -0.83 1.78 -1.13 -0.68 0.00 0.00 175.30 174.64 1i6x n SER 83 N 5.39 0.00 -3.51 0.23 3.41 -1.26 -1.76 113.62 116.12 1i6x n SER 83 Ca 0.17 0.11 -0.03 0.00 -0.26 0.00 0.00 58.87 58.86 1i6x n SER 83 Cb 0.38 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1i6x n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i6x s ALA 84 N -2.70 -1.66 -0.02 7.33 0.00 -1.26 -4.93 121.76 118.52 1i6x s ALA 84 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1i6x s ALA 84 Cb 0.16 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 1i6x s ALA 84 CO 0.38 -1.06 0.34 -1.58 0.00 0.00 0.00 175.76 173.85 1i6x s TRP 85 N -2.54 3.69 -0.16 0.00 0.51 -0.30 -3.26 118.94 116.87 1i6x s TRP 85 Ca 0.18 0.86 0.01 0.00 -2.12 0.00 0.00 56.10 55.03 1i6x s TRP 85 Cb -0.02 -2.19 0.02 0.00 -0.81 0.00 0.00 33.47 30.47 1i6x s TRP 85 CO 0.04 0.66 -0.16 0.08 -0.51 0.00 0.00 176.95 177.05 1i6x s VAL 86 N -1.09 1.73 -0.09 4.03 1.01 -0.71 -0.31 120.40 124.97 1i6x s VAL 86 Ca 0.22 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1i6x s VAL 86 Cb -0.15 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1i6x s VAL 86 CO 0.12 0.49 -0.17 -0.13 0.00 0.00 0.00 175.10 175.40 1i6x s ARG 87 N 1.38 2.92 -0.02 2.72 0.52 -0.23 -0.80 118.95 125.43 1i6x s ARG 87 Ca 0.04 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 1i6x s ARG 87 Cb -0.13 -2.42 -0.06 0.00 0.52 0.00 0.00 34.95 32.87 1i6x s ARG 87 CO -0.11 0.36 1.59 0.00 0.02 0.00 0.00 175.30 177.16 1i6x s ALA 88 N -0.06 3.63 -0.09 2.13 0.00 0.10 0.27 121.76 127.74 1i6x s ALA 88 Ca -0.04 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.60 1i6x s ALA 88 Cb -0.14 -3.70 -0.24 0.00 0.00 0.00 0.00 23.12 19.04 1i6x s ALA 88 CO 0.04 -1.24 0.97 -0.22 0.00 0.00 0.00 175.76 175.31 1i6x h LYS 89 N 8.91 -0.00 -5.19 0.00 3.64 -0.36 -0.34 116.57 123.24 1i6x h LYS 89 Ca -0.39 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.35 1i6x h LYS 89 Cb 1.18 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.87 1i6x h LYS 89 CO 0.94 0.78 -0.52 0.95 -2.27 0.00 0.00 179.45 179.33 1i6x s THR 90 N -3.05 1.07 0.42 1.00 -4.23 -1.15 -4.39 115.64 105.30 1i6x s THR 90 Ca -0.18 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.08 1i6x s THR 90 Cb -0.01 -2.27 -0.10 0.00 1.34 0.00 0.00 72.50 71.46 1i6x s THR 90 CO 0.68 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 176.03 1i6x n ALA 91 N -1.15 1.29 -2.29 3.99 0.00 -1.26 -4.26 120.51 116.83 1i6x n ALA 91 Ca -0.15 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 1i6x n ALA 91 Cb 0.66 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 1i6x n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i6x s GLU 93 N -3.41 1.84 -0.13 0.00 2.02 -0.69 0.40 118.70 118.74 1i6x s GLU 93 Ca 0.07 -0.91 0.03 0.00 0.02 0.00 0.00 54.97 54.17 1i6x s GLU 93 Cb 0.03 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1i6x s GLU 93 CO -0.05 -0.50 -0.21 0.08 0.02 0.00 0.00 175.26 174.60 1i6x s VAL 94 N 1.39 2.20 0.27 2.63 1.01 0.10 -1.05 120.40 126.96 1i6x s VAL 94 Ca -0.03 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 1i6x s VAL 94 Cb -0.17 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1i6x s VAL 94 CO -0.07 0.55 0.72 0.00 0.00 0.00 0.00 175.10 176.29 1i6x s ALA 95 N 0.60 3.38 0.01 5.51 0.00 0.04 -0.92 121.76 130.38 1i6x s ALA 95 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1i6x s ALA 95 Cb -0.16 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1i6x s ALA 95 CO 0.03 0.34 -0.01 -2.00 0.00 0.00 0.00 175.76 174.12 1i6x s GLU 96 N -2.55 0.10 -0.17 0.00 2.12 -0.14 -1.49 118.70 116.56 1i6x s GLU 96 Ca 0.49 -0.18 -0.16 0.00 0.36 0.00 0.00 54.97 55.48 1i6x s GLU 96 Cb -0.13 0.03 0.05 0.00 0.26 0.00 0.00 34.13 34.33 1i6x s GLU 96 CO 0.19 -0.01 0.46 -1.50 -0.54 0.00 0.00 175.26 173.86 1i6x s ILE 97 N -0.43 -0.00 0.69 -3.70 2.07 -0.21 -1.46 121.20 118.17 1i6x s ILE 97 Ca -0.05 0.01 -0.15 0.00 -1.41 0.00 0.00 60.65 59.05 1i6x s ILE 97 Cb -0.03 -0.65 0.02 0.00 0.13 0.00 0.00 42.46 41.93 1i6x s ILE 97 CO -0.00 0.00 1.16 -0.94 -1.91 0.00 0.00 174.94 173.24 1i6x s SER 98 N 0.32 4.67 0.32 4.50 1.04 -1.26 0.72 113.70 124.02 1i6x s SER 98 Ca -0.01 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.60 1i6x s SER 98 Cb -0.04 -2.57 0.55 0.00 0.10 0.00 0.00 66.02 64.06 1i6x s SER 98 CO -0.00 -1.93 1.97 1.88 0.98 0.00 0.00 173.24 176.14 1i6x h TYR 99 N -0.11 0.93 0.06 5.02 0.99 -1.44 -2.29 116.97 120.13 1i6x h TYR 99 Ca -0.47 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.30 1i6x h TYR 99 Cb 1.27 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.66 1i6x h TYR 99 CO 0.51 0.57 -0.15 0.87 -0.00 0.00 0.00 178.16 179.95 1i6x h LYS 100 N 0.99 -0.28 -0.44 4.88 1.57 -1.91 0.15 116.57 121.53 1i6x h LYS 100 Ca 0.29 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1i6x h LYS 100 Cb -0.04 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1i6x h LYS 100 CO -0.07 -0.18 0.03 -0.22 -0.57 0.00 0.00 179.45 178.43 1i6x h LYS 101 N -0.29 0.69 -0.52 3.15 3.64 -1.91 -1.98 116.57 119.36 1i6x h LYS 101 Ca 0.03 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1i6x h LYS 101 Cb 0.32 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1i6x h LYS 101 CO -0.11 0.69 -0.03 0.35 -2.27 0.00 0.00 179.45 178.08 1i6x h PHE 102 N 0.66 0.98 0.00 1.91 3.04 -0.85 -1.14 116.94 121.54 1i6x h PHE 102 Ca 0.14 -0.16 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 1i6x h PHE 102 Cb 0.36 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 1i6x h PHE 102 CO 0.02 0.90 -0.14 0.00 -2.02 0.00 0.00 178.31 177.07 1i6x h ARG 103 N 0.83 0.00 0.00 1.11 3.08 -0.26 -1.39 114.38 117.75 1i6x h ARG 103 Ca 0.15 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 1i6x h ARG 103 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1i6x h ARG 103 CO 0.03 0.14 -0.55 1.96 -1.07 0.00 0.00 179.97 180.48 1i6x h GLN 104 N 0.00 0.00 0.02 0.04 4.20 -0.52 -3.16 115.11 115.69 1i6x h GLN 104 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 1i6x h GLN 104 Cb 0.53 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1i6x h GLN 104 CO 0.02 0.55 -1.09 -0.07 -0.67 0.00 0.00 178.83 177.57 1i6x h LEU 105 N 0.00 0.05 -1.10 1.46 3.38 -0.33 -3.29 115.31 115.49 1i6x h LEU 105 Ca -0.01 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1i6x h LEU 105 Cb 1.32 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1i6x h LEU 105 CO 0.07 1.05 0.10 0.40 0.09 0.00 0.00 178.44 180.15 1i6x h ILE 106 N 0.01 1.21 -0.24 1.22 2.04 -1.26 -1.87 117.51 118.62 1i6x h ILE 106 Ca -0.05 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1i6x h ILE 106 Cb 1.81 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1i6x h ILE 106 CO 0.13 0.29 0.07 0.06 0.00 0.00 0.00 178.15 178.70 1i6x h GLN 107 N 0.72 0.38 -0.91 2.37 3.07 -1.62 -2.30 115.11 116.81 1i6x h GLN 107 Ca 0.16 -0.09 0.05 0.00 0.09 0.00 0.00 58.65 58.86 1i6x h GLN 107 Cb 0.29 -0.05 -0.06 0.00 0.08 0.00 0.00 27.48 27.74 1i6x h GLN 107 CO -0.00 0.47 0.58 0.28 0.09 0.00 0.00 178.83 180.25 1i6x h VAL 108 N 0.21 1.11 -0.99 1.86 2.07 -1.54 -3.41 116.25 115.57 1i6x h VAL 108 Ca 0.08 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1i6x h VAL 108 Cb 0.26 -0.08 -0.21 0.00 -1.52 0.00 0.00 31.29 29.73 1i6x h VAL 108 CO -0.00 0.20 -0.34 0.21 0.02 0.00 0.00 177.57 177.66 1i6x s ASN 109 N -5.88 -1.55 0.41 0.57 2.47 -0.73 -5.03 114.94 105.19 1i6x s ASN 109 Ca -0.13 0.38 0.25 0.00 0.42 0.00 0.00 52.86 53.79 1i6x s ASN 109 Cb 0.18 2.06 1.39 0.00 -1.45 0.00 0.00 41.25 43.43 1i6x s ASN 109 CO 0.80 -0.29 1.76 1.55 -3.72 0.00 0.00 177.10 177.21 1i6x h PRO 110 N 7.99 0.00 -0.63 0.43 0.13 -1.66 -2.88 132.00 135.38 1i6x h PRO 110 Ca -0.07 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.18 1i6x h PRO 110 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1i6x h PRO 110 CO 0.18 0.00 0.43 -0.44 -0.23 0.00 0.00 178.00 177.93 1i6x h ASP 111 N 0.00 0.33 0.32 1.44 3.32 -1.94 0.38 116.42 120.27 1i6x h ASP 111 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1i6x h ASP 111 Cb 0.14 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1i6x h ASP 111 CO 0.00 0.19 -0.18 -0.29 -1.72 0.00 0.00 179.24 177.23 1i6x h ILE 112 N 0.36 0.87 0.06 0.35 6.09 -1.87 -1.94 117.51 121.43 1i6x h ILE 112 Ca 0.30 -0.70 -0.24 0.00 -1.37 0.00 0.00 64.86 62.85 1i6x h ILE 112 Cb 0.68 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 1i6x h ILE 112 CO -0.08 0.18 -1.11 0.25 -3.07 0.00 0.00 178.15 174.33 1i6x h LEU 113 N 0.00 0.20 -0.18 2.19 5.85 -0.50 -3.08 115.31 119.79 1i6x h LEU 113 Ca -0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1i6x h LEU 113 Cb 0.39 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1i6x h LEU 113 CO 0.02 1.16 0.08 -0.03 -0.34 0.00 0.00 178.44 179.34 1i6x h MET 114 N 0.04 0.26 -0.78 1.25 4.05 -0.61 -0.64 114.93 118.50 1i6x h MET 114 Ca -0.07 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1i6x h MET 114 Cb 1.85 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 32.56 1i6x h MET 114 CO 0.16 0.32 0.50 0.00 0.23 0.00 0.00 176.91 178.12 1i6x h ARG 115 N 0.15 0.94 -0.20 0.39 2.47 -1.49 0.42 114.38 117.06 1i6x h ARG 115 Ca 0.06 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1i6x h ARG 115 Cb 0.14 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1i6x h ARG 115 CO -0.01 0.62 0.07 1.25 0.56 0.00 0.00 179.97 182.46 1i6x h LEU 116 N 0.97 0.29 -1.45 3.04 5.85 -1.41 -2.92 115.31 119.67 1i6x h LEU 116 Ca 0.31 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1i6x h LEU 116 Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1i6x h LEU 116 CO -0.11 0.41 0.01 0.28 -0.34 0.00 0.00 178.44 178.69 1i6x h SER 117 N 0.16 0.34 0.16 1.25 0.02 -0.62 -1.04 113.55 113.82 1i6x h SER 117 Ca 0.07 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1i6x h SER 117 Cb 0.22 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1i6x h SER 117 CO -0.00 0.39 -0.28 0.00 -1.14 0.00 0.00 176.83 175.79 1i6x h ALA 118 N 1.66 1.32 0.00 3.77 0.00 -0.82 -1.45 119.26 123.73 1i6x h ALA 118 Ca 0.08 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1i6x h ALA 118 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1i6x h ALA 118 CO 0.00 0.47 -0.90 1.96 0.00 0.00 0.00 179.25 180.78 1i6x h GLN 119 N 0.19 0.27 -0.50 0.00 4.20 -1.04 -2.60 115.11 115.63 1i6x h GLN 119 Ca 0.03 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.31 1i6x h GLN 119 Cb 0.60 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1i6x h GLN 119 CO 0.04 1.01 -0.18 0.52 -0.67 0.00 0.00 178.83 179.55 1i6x h MET 120 N 0.15 1.01 -0.40 1.46 2.86 -0.92 -0.54 114.93 118.56 1i6x h MET 120 Ca -0.06 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 1i6x h MET 120 Cb 1.54 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.14 1i6x h MET 120 CO 0.14 1.10 0.12 0.00 1.06 0.00 0.00 176.91 179.33 1i6x h ALA 121 N 0.89 0.52 -0.51 6.32 0.00 -1.28 0.48 119.26 125.68 1i6x h ALA 121 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1i6x h ALA 121 Cb 0.76 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1i6x h ALA 121 CO 0.06 0.17 0.28 -0.09 0.00 0.00 0.00 179.25 179.68 1i6x h ARG 122 N 0.49 0.70 -0.71 0.00 9.65 -1.35 -0.86 114.38 122.31 1i6x h ARG 122 Ca 0.13 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.89 1i6x h ARG 122 Cb 0.27 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1i6x h ARG 122 CO -0.00 0.54 0.28 0.00 2.80 0.00 0.00 179.97 183.58 1i6x h ARG 123 N 0.68 1.05 -0.42 0.20 -0.00 -0.85 -0.90 114.38 114.13 1i6x h ARG 123 Ca 0.18 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.98 59.43 1i6x h ARG 123 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 29.82 1i6x h ARG 123 CO -0.03 0.86 0.08 1.25 0.00 0.00 0.00 179.97 182.13 1i6x h LEU 124 N 1.03 0.65 -0.56 3.04 5.85 -0.40 -0.95 115.31 123.97 1i6x h LEU 124 Ca 0.24 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1i6x h LEU 124 Cb 0.21 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1i6x h LEU 124 CO -0.02 0.73 0.37 1.56 -0.34 0.00 0.00 178.44 180.74 1i6x h GLN 125 N 0.54 0.73 -0.34 1.25 4.20 -0.76 -0.81 115.11 119.91 1i6x h GLN 125 Ca 0.13 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 1i6x h GLN 125 Cb 0.35 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1i6x h GLN 125 CO 0.01 0.48 -0.34 0.28 -0.67 0.00 0.00 178.83 178.58 1i6x h VAL 126 N 0.75 1.28 -0.02 -0.54 2.07 -1.01 -2.57 116.25 116.20 1i6x h VAL 126 Ca 0.21 -1.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.06 1i6x h VAL 126 Cb -0.07 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1i6x h VAL 126 CO -0.05 0.49 -0.73 0.74 0.02 0.00 0.00 177.57 178.04 1i6x h THR 127 N 0.65 1.46 -0.45 2.57 2.02 -1.07 -2.79 112.91 115.31 1i6x h THR 127 Ca 0.07 -2.35 -0.07 0.00 0.77 0.00 0.00 66.41 64.83 1i6x h THR 127 Cb 0.89 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.54 1i6x h THR 127 CO 0.08 0.68 -0.03 0.28 0.37 0.00 0.00 175.52 176.90 1i6x h SER 128 N 0.10 0.72 -0.61 4.18 0.02 -1.07 -1.53 113.55 115.35 1i6x h SER 128 Ca -0.02 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 1i6x h SER 128 Cb 1.29 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1i6x h SER 128 CO 0.11 0.81 0.07 -0.08 -1.14 0.00 0.00 176.83 176.59 1i6x h GLU 129 N 0.69 1.05 -0.83 3.45 4.81 -1.34 -2.55 114.58 119.87 1i6x h GLU 129 Ca 0.13 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1i6x h GLU 129 Cb 0.47 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1i6x h GLU 129 CO 0.02 0.99 0.50 -0.22 -0.73 0.00 0.00 179.01 179.57 1i6x h LYS 130 N 0.98 1.12 -0.56 1.92 3.64 -1.16 -2.50 116.57 120.02 1i6x h LYS 130 Ca 0.19 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1i6x h LYS 130 Cb 0.47 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1i6x h LYS 130 CO 0.02 0.79 0.31 0.28 -2.27 0.00 0.00 179.45 178.58 1i6x h VAL 131 N 1.13 1.00 -0.74 2.00 2.07 -0.89 -1.96 116.25 118.86 1i6x h VAL 131 Ca 0.30 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1i6x h VAL 131 Cb -0.04 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 1i6x h VAL 131 CO -0.06 0.11 0.46 1.23 0.02 0.00 0.00 177.57 179.34 1i6x h GLY 132 N 0.60 1.08 0.70 2.17 0.00 -1.15 -2.59 103.07 103.89 1i6x h GLY 132 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1i6x h GLY 132 CO -0.14 0.28 -0.01 3.43 0.00 0.00 0.00 176.54 180.10 1i6x h ASN 133 N 0.90 0.13 -0.80 0.19 -0.26 -1.19 -2.64 115.58 111.90 1i6x h ASN 133 Ca 0.30 -0.35 0.04 0.00 -0.56 0.00 0.00 56.30 55.73 1i6x h ASN 133 Cb 0.05 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.23 1i6x h ASN 133 CO -0.12 0.45 0.53 -0.07 -1.06 0.00 0.00 177.43 177.15 1i6x h LEU 134 N -0.19 0.85 -0.43 1.61 3.38 -1.31 -2.05 115.31 117.17 1i6x h LEU 134 Ca 0.02 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1i6x h LEU 134 Cb 0.39 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1i6x h LEU 134 CO 0.01 0.58 -0.53 0.00 0.09 0.00 0.00 178.44 178.58 1i6x h ALA 135 N 1.53 0.61 -0.74 1.53 0.00 -1.48 -3.22 119.26 117.50 1i6x h ALA 135 Ca 0.32 -0.51 -0.46 0.00 0.00 0.00 0.00 54.91 54.26 1i6x h ALA 135 Cb 0.05 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.54 1i6x h ALA 135 CO -0.09 0.68 0.59 1.19 0.00 0.00 0.00 179.25 181.62 1i6x n PHE 136 N -3.98 2.34 -3.64 0.00 3.72 -0.80 -4.91 117.46 110.18 1i6x n PHE 136 Ca -0.03 -2.15 -0.06 0.00 -0.05 0.00 0.00 57.45 55.16 1i6x n PHE 136 Cb 0.61 -1.05 -0.07 0.00 -0.94 0.00 0.00 39.48 38.03 1i6x n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1i6x s LEU 137 N -2.68 -0.82 1.12 4.37 1.43 -1.01 -4.97 118.68 116.12 1i6x s LEU 137 Ca 0.46 1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 54.71 1i6x s LEU 137 Cb 0.37 2.20 0.25 0.00 0.03 0.00 0.00 46.19 49.04 1i6x s LEU 137 CO 0.02 -0.21 1.10 -0.62 0.23 0.00 0.00 176.35 176.88 1i6x s ASP 138 N 1.56 1.61 0.20 2.29 2.15 -1.26 -4.61 116.67 118.61 1i6x s ASP 138 Ca -0.10 0.88 -0.11 0.00 0.43 0.00 0.00 52.55 53.65 1i6x s ASP 138 Cb -0.05 -1.32 0.19 0.00 -0.30 0.00 0.00 42.92 41.44 1i6x s ASP 138 CO -0.19 -3.72 1.83 0.58 -0.17 0.00 0.00 175.17 173.50 1i6x h VAL 139 N -2.30 1.05 -0.27 1.11 2.07 -1.99 0.19 116.25 116.10 1i6x h VAL 139 Ca -0.50 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1i6x h VAL 139 Cb 1.31 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1i6x h VAL 139 CO 0.45 0.14 0.15 0.74 0.02 0.00 0.00 177.57 179.07 1i6x h THR 140 N 0.75 1.12 -0.36 2.57 2.02 -1.99 -1.71 112.91 115.31 1i6x h THR 140 Ca 0.27 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1i6x h THR 140 Cb 0.07 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1i6x h THR 140 CO -0.13 0.12 -0.11 1.23 0.37 0.00 0.00 175.52 177.00 1i6x h GLY 141 N 0.33 0.66 0.95 2.16 0.00 -1.76 0.03 103.07 105.45 1i6x h GLY 141 Ca 0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1i6x h GLY 141 CO -0.02 0.44 0.19 3.21 0.00 0.00 0.00 176.54 180.36 1i6x h ARG 142 N 0.57 0.61 -0.41 4.80 3.08 -0.36 0.42 114.38 123.10 1i6x h ARG 142 Ca 0.10 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1i6x h ARG 142 Cb 0.52 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1i6x h ARG 142 CO 0.03 0.55 -0.30 0.82 -1.07 0.00 0.00 179.97 180.00 1i6x h ILE 143 N 0.54 1.27 -0.28 2.04 2.04 -1.02 -1.52 117.51 120.57 1i6x h ILE 143 Ca 0.14 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1i6x h ILE 143 Cb 0.15 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1i6x h ILE 143 CO -0.02 0.49 0.13 0.00 0.00 0.00 0.00 178.15 178.76 1i6x h ALA 144 N 0.80 0.36 -0.21 1.87 0.00 -0.82 -1.48 119.26 119.78 1i6x h ALA 144 Ca 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1i6x h ALA 144 Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1i6x h ALA 144 CO 0.08 -0.07 -0.12 0.37 0.00 0.00 0.00 179.25 179.51 1i6x h GLN 145 N 0.32 0.33 -0.39 0.00 4.15 -0.86 -2.33 115.11 116.34 1i6x h GLN 145 Ca 0.10 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 1i6x h GLN 145 Cb 0.13 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1i6x h GLN 145 CO -0.01 0.46 -0.27 1.15 -1.93 0.00 0.00 178.83 178.23 1i6x h THR 146 N 0.31 1.27 -0.61 2.39 2.02 -0.90 -0.42 112.91 116.98 1i6x h THR 146 Ca 0.06 -1.42 -0.07 0.00 0.77 0.00 0.00 66.41 65.75 1i6x h THR 146 Cb 0.41 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1i6x h THR 146 CO 0.02 0.47 0.09 -0.07 0.37 0.00 0.00 175.52 176.41 1i6x h LEU 147 N 0.71 0.95 -0.02 2.58 4.07 -0.92 -0.47 115.31 122.21 1i6x h LEU 147 Ca 0.09 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1i6x h LEU 147 Cb 0.82 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 1i6x h LEU 147 CO 0.07 0.95 0.00 -0.07 -1.08 0.00 0.00 178.44 178.32 1i6x h LEU 148 N 0.94 0.03 -1.32 1.67 4.07 -1.19 -2.01 115.31 117.50 1i6x h LEU 148 Ca 0.19 -0.29 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 1i6x h LEU 148 Cb 0.42 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1i6x h LEU 148 CO 0.01 0.31 0.37 0.78 -1.08 0.00 0.00 178.44 178.83 1i6x h ASN 149 N -0.25 0.73 0.74 -0.43 -0.26 -0.95 -0.59 115.58 114.56 1i6x h ASN 149 Ca 0.01 -0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.66 1i6x h ASN 149 Cb 0.30 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1i6x h ASN 149 CO 0.00 0.56 -0.23 -0.07 -1.06 0.00 0.00 177.43 176.63 1i6x h LEU 150 N 0.84 0.00 0.00 1.61 3.38 -0.95 -2.60 115.31 117.59 1i6x h LEU 150 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1i6x h LEU 150 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1i6x h LEU 150 CO -0.04 0.23 -0.35 0.00 0.09 0.00 0.00 178.44 178.37 1i6x h ALA 151 N 1.77 0.83 -0.00 1.53 0.00 -0.37 -3.26 119.26 119.76 1i6x h ALA 151 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1i6x h ALA 151 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1i6x h ALA 151 CO 0.03 0.12 -0.23 1.63 0.00 0.00 0.00 179.25 180.81 1i6x n LYS 152 N -3.01 0.14 -2.63 0.00 5.02 -0.76 -4.80 118.16 112.12 1i6x n LYS 152 Ca 0.02 -0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 1i6x n LYS 152 Cb 0.57 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 1i6x n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1i6x s GLN 153 N -2.89 4.09 0.24 1.97 -0.21 -1.18 -4.98 119.66 116.70 1i6x s GLN 153 Ca 0.16 1.06 -0.05 0.00 0.02 0.00 0.00 55.36 56.55 1i6x s GLN 153 Cb 0.19 -2.16 0.43 0.00 1.00 0.00 0.00 33.01 32.47 1i6x s GLN 153 CO 0.59 -0.15 1.73 -1.00 -2.12 0.00 0.00 175.29 174.34 1i6x h PRO 154 N 1.48 0.41 0.00 2.91 0.13 -1.91 -0.34 132.00 134.68 1i6x h PRO 154 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1i6x h PRO 154 Cb 1.18 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i6x h PRO 154 CO 0.61 0.27 0.00 -0.40 -0.23 0.00 0.00 178.00 178.25 1i6x n ASP 155 N -5.01 0.52 -4.70 1.44 5.75 -1.26 -4.76 116.55 108.54 1i6x n ASP 155 Ca 0.13 0.65 -0.42 0.00 -0.01 0.00 0.00 54.79 55.15 1i6x n ASP 155 Cb 0.40 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1i6x n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i6x n ALA 156 N -1.72 1.25 -2.71 2.12 0.00 -0.14 -4.97 120.51 114.33 1i6x n ALA 156 Ca 0.02 0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.54 1i6x n ALA 156 Cb 0.18 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.37 1i6x n ALA 156 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1i6x s MET 157 N -2.06 3.37 0.07 0.00 -1.94 -0.21 -4.93 119.30 113.60 1i6x s MET 157 Ca 0.59 -0.60 -0.18 0.00 -1.71 0.00 0.00 55.69 53.79 1i6x s MET 157 Cb -0.54 -2.76 -0.07 0.00 2.01 0.00 0.00 34.83 33.48 1i6x s MET 157 CO 0.60 0.19 0.54 0.99 -0.01 0.00 0.00 175.02 177.33 1i6x s THR 158 N -2.20 4.80 -0.00 2.05 2.01 -1.26 -0.29 115.64 120.75 1i6x s THR 158 Ca 0.39 1.12 0.01 0.00 0.31 0.00 0.00 61.69 63.52 1i6x s THR 158 Cb -0.09 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.56 1i6x s THR 158 CO 0.33 0.53 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.48 1i6x s HIS 159 N -1.14 0.23 0.47 4.92 5.04 -0.51 -4.66 115.29 119.63 1i6x s HIS 159 Ca 0.29 -0.06 0.23 0.00 -1.54 0.00 0.00 55.06 53.98 1i6x s HIS 159 Cb -0.19 -0.15 1.25 0.00 0.04 0.00 0.00 32.58 33.53 1i6x s HIS 159 CO 0.18 -0.01 1.67 -1.00 -2.34 0.00 0.00 174.74 173.24 1i6x h PRO 160 N 6.02 0.00 -0.02 2.88 0.13 -1.98 0.37 132.00 139.41 1i6x h PRO 160 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1i6x h PRO 160 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1i6x h PRO 160 CO 0.50 0.00 -0.28 -0.25 -0.23 0.00 0.00 178.00 177.74 1i6x n ASP 161 N -2.61 2.10 0.00 1.44 10.43 -1.26 -5.06 116.55 121.59 1i6x n ASP 161 Ca -0.02 -1.55 0.00 0.00 2.57 0.00 0.00 54.79 55.79 1i6x n ASP 161 Cb 0.40 0.33 0.00 0.00 1.84 0.00 0.00 41.12 43.69 1i6x n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1i6x n GLY 162 N 1.24 -0.05 3.40 0.44 0.00 0.13 -2.85 105.19 107.49 1i6x n GLY 162 Ca 0.09 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1i6x n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i6x s MET 163 N 0.00 1.44 -0.03 1.61 -1.94 -1.00 -1.43 119.30 117.95 1i6x s MET 163 Ca 0.00 -1.46 0.05 0.00 -1.71 0.00 0.00 55.69 52.57 1i6x s MET 163 Cb 0.00 -1.75 -0.01 0.00 2.01 0.00 0.00 34.83 35.08 1i6x s MET 163 CO 0.00 0.38 -0.17 -1.14 -0.01 0.00 0.00 175.02 174.08 1i6x s GLN 164 N -2.55 1.62 0.12 2.03 0.74 0.61 -0.78 119.66 121.44 1i6x s GLN 164 Ca 0.18 -0.61 0.03 0.00 0.05 0.00 0.00 55.36 55.01 1i6x s GLN 164 Cb -0.08 -1.47 -0.04 0.00 1.10 0.00 0.00 33.01 32.52 1i6x s GLN 164 CO 0.08 0.30 -0.09 0.96 -0.55 0.00 0.00 175.29 175.99 1i6x s ILE 165 N -0.14 0.94 -0.16 -2.34 -4.36 -0.05 -1.04 121.20 114.05 1i6x s ILE 165 Ca 0.01 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 1i6x s ILE 165 Cb -0.09 -1.65 0.02 0.00 1.25 0.00 0.00 42.46 41.99 1i6x s ILE 165 CO 0.01 -0.73 -0.16 -0.54 0.24 0.00 0.00 174.94 173.75 1i6x s LYS 166 N -3.49 2.55 -0.23 0.37 1.02 -1.26 -0.46 119.74 118.25 1i6x s LYS 166 Ca 0.12 -0.66 -0.27 0.00 0.02 0.00 0.00 55.97 55.17 1i6x s LYS 166 Cb 0.02 -2.26 0.12 0.00 -0.52 0.00 0.00 37.83 35.19 1i6x s LYS 166 CO -0.01 -0.21 1.02 -1.50 -0.92 0.00 0.00 175.35 173.73 1i6x s ILE 167 N 1.37 0.00 0.51 2.17 2.07 -1.20 -5.04 121.20 121.08 1i6x s ILE 167 Ca 0.04 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.22 1i6x s ILE 167 Cb -0.13 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 1i6x s ILE 167 CO -0.11 0.00 0.82 0.42 -1.91 0.00 0.00 174.94 174.17 1i6x s THR 168 N -0.36 4.73 0.40 4.00 -4.23 -1.26 -4.79 115.64 114.14 1i6x s THR 168 Ca 0.01 0.24 0.07 0.00 -1.18 0.00 0.00 61.69 60.83 1i6x s THR 168 Cb -0.03 -3.81 0.25 0.00 1.34 0.00 0.00 72.50 70.24 1i6x s THR 168 CO -0.03 -0.83 2.03 0.03 -0.54 0.00 0.00 174.62 175.29 1i6x h ARG 169 N 0.12 0.50 0.04 3.99 3.08 -1.98 -1.22 114.38 118.90 1i6x h ARG 169 Ca -0.46 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 1i6x h ARG 169 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1i6x h ARG 169 CO 0.62 0.37 -0.02 0.37 -1.07 0.00 0.00 179.97 180.23 1i6x h GLN 170 N 0.51 -0.05 -0.65 0.04 4.15 -1.93 0.93 115.11 118.11 1i6x h GLN 170 Ca 0.13 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.59 1i6x h GLN 170 Cb 0.01 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1i6x h GLN 170 CO -0.02 0.22 0.40 0.93 -1.93 0.00 0.00 178.83 178.42 1i6x h GLU 171 N -0.31 0.75 -0.72 1.69 5.08 -1.84 0.27 114.58 119.50 1i6x h GLU 171 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1i6x h GLU 171 Cb 0.28 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1i6x h GLU 171 CO 0.01 0.50 0.42 0.82 -1.00 0.00 0.00 179.01 179.76 1i6x h ILE 172 N 0.77 1.21 -0.31 3.13 2.04 -1.15 -1.53 117.51 121.67 1i6x h ILE 172 Ca 0.26 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1i6x h ILE 172 Cb 0.04 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1i6x h ILE 172 CO -0.11 0.22 0.09 1.23 0.00 0.00 0.00 178.15 179.58 1i6x h GLY 173 N 0.99 0.47 2.00 5.37 0.00 0.80 -1.61 103.07 111.10 1i6x h GLY 173 Ca 0.26 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1i6x h GLY 173 CO -0.05 0.22 -0.33 1.46 0.00 0.00 0.00 176.54 177.84 1i6x h GLN 174 N 0.44 0.00 0.03 4.80 4.20 0.42 0.21 115.11 125.21 1i6x h GLN 174 Ca 0.11 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 1i6x h GLN 174 Cb 0.15 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.95 1i6x h GLN 174 CO -0.01 0.33 -0.77 0.82 -0.67 0.00 0.00 178.83 178.54 1i6x h ILE 175 N 0.00 1.40 0.00 2.54 2.04 -0.53 0.29 117.51 123.24 1i6x h ILE 175 Ca -0.00 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.66 1i6x h ILE 175 Cb 0.96 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1i6x h ILE 175 CO 0.04 0.65 -0.88 0.52 0.00 0.00 0.00 178.15 178.48 1i6x n VAL 176 N -4.10 0.46 -1.15 1.67 0.31 -0.85 -4.70 118.33 109.97 1i6x n VAL 176 Ca -0.11 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1i6x n VAL 176 Cb 0.76 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1i6x n VAL 176 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i6x n GLY 177 N 1.26 0.67 3.68 2.92 0.00 0.63 -5.04 105.19 109.31 1i6x n GLY 177 Ca 0.01 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1i6x n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6x s SER 179 N -3.78 5.71 0.42 0.00 0.15 -1.26 -4.49 113.70 110.44 1i6x s SER 179 Ca 0.18 2.08 0.09 0.00 0.70 0.00 0.00 55.95 58.99 1i6x s SER 179 Cb 0.04 -2.57 0.89 0.00 -1.71 0.00 0.00 66.02 62.67 1i6x s SER 179 CO 0.09 -1.22 2.02 -0.09 1.20 0.00 0.00 173.24 175.24 1i6x h ARG 180 N 0.98 0.37 -0.22 5.44 2.43 -1.83 -1.38 114.38 120.17 1i6x h ARG 180 Ca -0.49 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.48 1i6x h ARG 180 Cb 1.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1i6x h ARG 180 CO 0.57 0.32 -0.52 1.05 -1.51 0.00 0.00 179.97 179.88 1i6x h GLU 181 N 0.37 0.62 -0.63 0.20 9.09 -1.92 -1.86 114.58 120.45 1i6x h GLU 181 Ca 0.09 -0.38 -0.04 0.00 0.05 0.00 0.00 59.36 59.09 1i6x h GLU 181 Cb 0.10 0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 27.21 1i6x h GLU 181 CO -0.01 0.99 0.24 1.15 0.05 0.00 0.00 179.01 181.43 1i6x h THR 182 N 0.49 1.23 -0.48 -1.06 2.02 -1.66 -1.76 112.91 111.68 1i6x h THR 182 Ca 0.02 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1i6x h THR 182 Cb 1.07 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1i6x h THR 182 CO 0.10 0.29 0.15 0.58 0.37 0.00 0.00 175.52 177.01 1i6x h VAL 183 N 0.92 1.23 -0.41 3.16 2.07 -1.09 -2.05 116.25 120.07 1i6x h VAL 183 Ca 0.21 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1i6x h VAL 183 Cb 0.20 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1i6x h VAL 183 CO -0.02 0.28 0.10 1.23 0.02 0.00 0.00 177.57 179.19 1i6x h GLY 184 N 0.65 0.51 1.05 2.17 0.00 -0.52 -0.41 103.07 106.52 1i6x h GLY 184 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 1i6x h GLY 184 CO -0.00 -0.02 0.10 3.21 0.00 0.00 0.00 176.54 179.82 1i6x h ARG 185 N 0.24 1.05 -0.34 4.80 3.08 -1.23 -2.81 114.38 119.16 1i6x h ARG 185 Ca 0.20 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1i6x h ARG 185 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1i6x h ARG 185 CO -0.24 0.98 -0.27 0.82 -1.07 0.00 0.00 179.97 180.18 1i6x h ILE 186 N 0.96 1.28 -0.40 2.04 1.08 -0.94 -2.10 117.51 119.43 1i6x h ILE 186 Ca 0.19 -1.39 -0.08 0.00 -0.39 0.00 0.00 64.86 63.19 1i6x h ILE 186 Cb 0.44 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1i6x h ILE 186 CO 0.01 0.45 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.77 1i6x h LEU 187 N 0.60 0.67 -0.16 1.44 3.38 -1.01 -1.58 115.31 118.65 1i6x h LEU 187 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1i6x h LEU 187 Cb 0.77 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1i6x h LEU 187 CO 0.06 0.80 -0.05 0.11 0.09 0.00 0.00 178.44 179.45 1i6x h LYS 188 N 0.63 0.31 -0.91 1.13 1.57 -1.32 -2.24 116.57 115.76 1i6x h LYS 188 Ca 0.11 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1i6x h LYS 188 Cb 0.52 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 1i6x h LYS 188 CO 0.03 0.60 0.56 1.98 -0.57 0.00 0.00 179.45 182.06 1i6x h MET 189 N 0.01 0.96 -0.16 3.15 4.05 -1.18 -0.80 114.93 120.96 1i6x h MET 189 Ca 0.04 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1i6x h MET 189 Cb 0.49 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1i6x h MET 189 CO 0.02 0.63 -0.00 -0.07 0.23 0.00 0.00 176.91 177.72 1i6x h LEU 190 N 0.99 0.21 -0.02 3.39 4.07 -1.10 -1.42 115.31 121.43 1i6x h LEU 190 Ca 0.41 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.34 1i6x h LEU 190 Cb 0.25 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1i6x h LEU 190 CO -0.20 0.26 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.07 1i6x h GLU 191 N 0.23 0.05 -0.05 1.13 5.08 -0.55 -0.73 114.58 119.74 1i6x h GLU 191 Ca 0.06 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1i6x h GLU 191 Cb 0.16 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1i6x h GLU 191 CO 0.00 0.49 0.06 -0.44 -1.00 0.00 0.00 179.01 178.13 1i6x h ASP 192 N -0.39 0.00 -0.06 1.42 3.45 -1.05 1.07 116.42 120.86 1i6x h ASP 192 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1i6x h ASP 192 Cb 0.48 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 1i6x h ASP 192 CO 0.00 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.67 1i6x n GLN 193 N -3.79 1.37 -1.32 3.56 6.02 -0.56 -4.89 117.38 117.76 1i6x n GLN 193 Ca -0.02 -0.55 -0.11 0.00 -0.01 0.00 0.00 57.00 56.32 1i6x n GLN 193 Cb 0.15 -1.40 -0.05 0.00 1.02 0.00 0.00 30.24 29.97 1i6x n GLN 193 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1i6x n ASN 194 N -0.27 -5.10 0.09 1.08 3.02 0.37 -4.89 115.26 109.55 1i6x n ASN 194 Ca 0.17 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1i6x n ASN 194 Cb 0.22 -3.57 -0.03 0.00 -0.61 0.00 0.00 39.78 35.79 1i6x n ASN 194 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1i6x h LEU 195 N 0.00 0.00 -8.41 3.41 4.07 -1.30 -3.47 115.31 109.61 1i6x h LEU 195 Ca -0.22 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.54 1i6x h LEU 195 Cb 0.98 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.64 1i6x h LEU 195 CO 0.33 0.58 -0.14 0.27 -1.08 0.00 0.00 178.44 178.40 1i6x s ILE 196 N -2.92 0.00 -0.01 1.22 -4.36 -1.22 -3.00 121.20 110.91 1i6x s ILE 196 Ca 0.01 -1.51 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 1i6x s ILE 196 Cb 0.08 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.23 1i6x s ILE 196 CO 0.78 0.00 -0.05 -0.55 0.24 0.00 0.00 174.94 175.36 1i6x s SER 197 N -3.17 0.66 -0.07 4.36 0.15 -0.69 -4.38 113.70 110.56 1i6x s SER 197 Ca 0.27 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.82 1i6x s SER 197 Cb -0.01 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1i6x s SER 197 CO 0.17 0.03 -0.00 0.00 1.20 0.00 0.00 173.24 174.63 1i6x s ALA 198 N 0.14 0.73 -0.08 5.45 0.00 -1.26 -1.01 121.76 125.72 1i6x s ALA 198 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 1i6x s ALA 198 Cb -0.05 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.36 1i6x s ALA 198 CO -0.00 -0.44 0.20 -1.58 0.00 0.00 0.00 175.76 173.94 1i6x s HIS 199 N 1.91 -0.24 0.00 0.00 2.46 -1.03 -5.02 115.29 113.37 1i6x s HIS 199 Ca 0.04 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.18 1i6x s HIS 199 Cb -0.12 0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.35 1i6x s HIS 199 CO -0.05 -0.16 0.00 0.41 -2.47 0.00 0.00 174.74 172.46 1i6x n GLY 200 N 3.71 0.49 0.72 1.59 0.00 -1.26 -1.19 105.19 109.25 1i6x n GLY 200 Ca -0.20 0.58 -0.00 0.00 0.00 0.00 0.00 46.02 46.40 1i6x n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i6x n LYS 201 N 0.00 0.00 -4.88 1.61 5.02 -1.26 -5.09 118.16 113.56 1i6x n LYS 201 Ca 0.00 -0.86 -0.33 0.00 -2.02 0.00 0.00 58.31 55.10 1i6x n LYS 201 Cb 0.00 -0.16 -0.14 0.00 -0.02 0.00 0.00 35.03 34.71 1i6x n LYS 201 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1i6x s THR 202 N 0.00 2.97 -0.13 -0.18 2.01 -0.33 -3.23 115.64 116.75 1i6x s THR 202 Ca 0.05 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1i6x s THR 202 Cb 0.06 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1i6x s THR 202 CO -0.03 0.56 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.65 1i6x s ILE 203 N -0.26 1.84 -0.27 1.82 -1.09 0.39 -2.47 121.20 121.16 1i6x s ILE 203 Ca 0.01 -0.84 -0.13 0.00 -2.23 0.00 0.00 60.65 57.47 1i6x s ILE 203 Cb -0.13 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.05 1i6x s ILE 203 CO 0.03 0.51 0.27 -0.69 -1.23 0.00 0.00 174.94 173.82 1i6x s VAL 204 N 0.97 5.26 -0.44 2.92 1.01 -0.18 -0.88 120.40 129.05 1i6x s VAL 204 Ca -0.05 0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1i6x s VAL 204 Cb -0.15 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.70 1i6x s VAL 204 CO -0.04 0.22 0.32 -0.69 0.00 0.00 0.00 175.10 174.92 1i6x s VAL 205 N 1.79 4.71 0.05 2.92 1.01 0.04 -1.71 120.40 129.21 1i6x s VAL 205 Ca 0.11 -1.22 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 1i6x s VAL 205 Cb -0.16 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1i6x s VAL 205 CO 0.10 -0.52 1.62 -0.31 0.00 0.00 0.00 175.10 175.98 1i6x s TYR 206 N 1.53 2.45 0.00 5.22 2.02 -1.16 -2.39 117.35 125.02 1i6x s TYR 206 Ca 0.03 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1i6x s TYR 206 Cb -0.23 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.40 1i6x s TYR 206 CO 0.04 -3.69 0.00 0.41 -1.57 0.00 0.00 175.55 170.74