#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae n VAL 2 N 0.00 1.85 -3.40 6.31 0.31 -1.24 -4.31 118.33 117.85 3hae n VAL 2 Ca 0.00 -0.46 0.02 0.00 -0.01 0.00 0.00 64.34 63.88 3hae n VAL 2 Cb 0.00 -0.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.72 3hae n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3hae s GLN 3 N -1.01 0.38 -0.10 5.55 0.74 -0.40 -4.95 119.66 119.87 3hae s GLN 3 Ca 0.65 0.89 -0.00 0.00 0.05 0.00 0.00 55.36 56.95 3hae s GLN 3 Cb -0.91 0.53 -0.03 0.00 1.10 0.00 0.00 33.01 33.70 3hae s GLN 3 CO 0.57 -0.20 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.52 3hae s LEU 4 N 2.68 3.08 -0.14 3.68 1.43 -1.26 -1.68 118.68 126.46 3hae s LEU 4 Ca -0.00 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3hae s LEU 4 Cb -0.09 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.49 3hae s LEU 4 CO -0.17 0.27 0.07 -0.22 0.23 0.00 0.00 176.35 176.52 3hae s LEU 5 N -0.24 0.45 0.12 1.79 2.96 -0.59 -4.15 118.68 119.02 3hae s LEU 5 Ca 0.03 -0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.30 3hae s LEU 5 Cb -0.13 -0.29 -0.07 0.00 0.50 0.00 0.00 46.19 46.20 3hae s LEU 5 CO 0.03 -0.31 0.63 -1.61 -1.32 0.00 0.00 176.35 173.77 3hae s GLU 6 N 2.09 4.24 0.21 1.98 8.01 -1.26 -2.08 118.70 131.89 3hae s GLU 6 Ca 0.02 0.80 -0.10 0.00 0.01 0.00 0.00 54.97 55.71 3hae s GLU 6 Cb -0.15 -3.14 -0.01 0.00 -4.31 0.00 0.00 34.13 26.52 3hae s GLU 6 CO -0.07 0.57 0.36 -1.54 0.01 0.00 0.00 175.26 174.58 3hae s SER 7 N -1.29 -0.01 0.00 -0.19 1.04 0.63 -4.94 113.70 108.94 3hae s SER 7 Ca 0.34 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.77 3hae s SER 7 Cb -0.19 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3hae s SER 7 CO 0.21 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3hae n GLY 8 N -0.31 1.04 2.76 7.32 0.00 -1.26 -1.16 105.19 113.58 3hae n GLY 8 Ca -0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 3hae n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hae s GLY 9 N -2.42 0.43 0.00 -0.02 0.00 -1.26 -4.10 107.32 99.95 3hae s GLY 9 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.65 3hae s GLY 9 CO 0.00 1.14 0.00 0.61 0.00 0.00 0.00 173.10 174.85 3hae n GLY 10 N 5.10 3.00 3.54 0.20 0.00 -1.21 -4.46 105.19 111.37 3hae n GLY 10 Ca -0.08 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 3hae n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hae s LEU 11 N 0.00 2.98 -0.04 0.99 2.96 -1.26 -0.27 118.68 124.05 3hae s LEU 11 Ca 0.00 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.67 3hae s LEU 11 Cb 0.00 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 45.06 3hae s LEU 11 CO 0.00 0.34 0.25 0.54 -1.32 0.00 0.00 176.35 176.15 3hae s VAL 12 N -0.82 0.05 0.64 1.68 0.11 0.46 -4.93 120.40 117.59 3hae s VAL 12 Ca 0.13 -0.40 -0.16 0.00 -2.93 0.00 0.00 61.98 58.62 3hae s VAL 12 Cb -0.11 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 3hae s VAL 12 CO 0.02 -0.22 1.13 -1.10 -3.33 0.00 0.00 175.10 171.61 3hae s GLN 13 N -0.90 2.85 0.21 1.54 -0.21 -1.25 -0.91 119.66 120.99 3hae s GLN 13 Ca -0.10 1.51 -0.32 0.00 0.02 0.00 0.00 55.36 56.47 3hae s GLN 13 Cb -0.05 -1.95 -0.14 0.00 1.00 0.00 0.00 33.01 31.87 3hae s GLN 13 CO 0.02 -1.23 1.36 -2.30 -2.12 0.00 0.00 175.29 171.02 3hae n PRO 14 N -2.16 1.78 -0.93 2.91 -0.02 -1.26 -1.07 135.00 134.26 3hae n PRO 14 Ca 0.11 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3hae n PRO 14 Cb 0.51 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3hae n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hae n GLY 15 N 2.25 0.85 3.91 -1.23 0.00 -0.19 -4.91 105.19 105.87 3hae n GLY 15 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3hae n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hae s GLY 16 N -1.95 1.66 0.23 -0.02 0.00 -0.23 -3.76 107.32 103.25 3hae s GLY 16 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.89 3hae s GLY 16 CO 0.00 -0.30 0.36 -0.56 0.00 0.00 0.00 173.10 172.60 3hae s SER 17 N -4.67 6.32 -0.02 1.64 0.01 -1.26 -1.46 113.70 114.26 3hae s SER 17 Ca 0.66 0.12 -0.24 0.00 1.31 0.00 0.00 55.95 57.80 3hae s SER 17 Cb -0.09 -1.88 0.05 0.00 0.21 0.00 0.00 66.02 64.31 3hae s SER 17 CO 0.50 -0.06 0.52 -0.22 0.41 0.00 0.00 173.24 174.38 3hae s LEU 18 N -3.86 -0.01 -0.11 2.44 2.96 -0.06 -4.96 118.68 115.09 3hae s LEU 18 Ca 0.35 0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3hae s LEU 18 Cb -0.09 2.01 0.04 0.00 0.50 0.00 0.00 46.19 48.64 3hae s LEU 18 CO 0.29 -0.58 0.03 -0.60 -1.32 0.00 0.00 176.35 174.18 3hae s ARG 19 N -1.51 0.42 0.00 1.98 3.52 -1.26 -0.87 118.95 121.23 3hae s ARG 19 Ca -0.11 0.01 -0.15 0.00 -0.13 0.00 0.00 55.73 55.36 3hae s ARG 19 Cb -0.02 -1.26 -0.06 0.00 -1.56 0.00 0.00 34.95 32.05 3hae s ARG 19 CO 0.06 -0.43 0.42 -0.51 -0.81 0.00 0.00 175.30 174.02 3hae s LEU 20 N 2.01 4.47 0.13 -0.88 1.43 -0.80 -4.61 118.68 120.42 3hae s LEU 20 Ca 0.03 0.97 0.09 0.00 -1.03 0.00 0.00 54.13 54.20 3hae s LEU 20 Cb -0.14 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 3hae s LEU 20 CO -0.06 0.32 -0.19 -0.44 0.23 0.00 0.00 176.35 176.20 3hae s SER 21 N -1.04 3.79 -0.33 2.29 0.01 -0.31 -1.28 113.70 116.84 3hae s SER 21 Ca 0.24 -0.61 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 3hae s SER 21 Cb -0.17 -0.49 0.12 0.00 0.21 0.00 0.00 66.02 65.70 3hae s SER 21 CO 0.14 0.17 0.18 0.00 0.41 0.00 0.00 173.24 174.13 3hae s ALA 23 N 1.48 3.38 0.06 0.00 0.00 -0.88 -2.37 121.76 123.42 3hae s ALA 23 Ca 0.14 0.76 0.09 0.00 0.00 0.00 0.00 51.96 52.96 3hae s ALA 23 Cb -0.20 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 3hae s ALA 23 CO -0.14 -0.47 -0.26 0.00 0.00 0.00 0.00 175.76 174.89 3hae s ALA 24 N 1.27 2.30 0.01 0.00 0.00 -0.56 -1.54 121.76 123.24 3hae s ALA 24 Ca 0.57 -1.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 3hae s ALA 24 Cb -0.27 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.42 3hae s ALA 24 CO 0.28 0.54 0.47 -1.54 0.00 0.00 0.00 175.76 175.51 3hae s SER 25 N -1.40 -0.38 -1.41 0.00 1.04 -0.68 -4.86 113.70 106.01 3hae s SER 25 Ca 0.12 0.23 -0.09 0.00 0.48 0.00 0.00 55.95 56.70 3hae s SER 25 Cb -0.10 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.49 3hae s SER 25 CO 0.03 -0.60 1.03 0.61 0.98 0.00 0.00 173.24 175.28 3hae n GLY 26 N 0.79 -0.48 3.45 7.32 0.00 -1.26 -1.27 105.19 113.75 3hae n GLY 26 Ca -0.19 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3hae n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hae s PHE 27 N -3.36 -0.53 -0.76 1.61 -0.12 -1.26 -3.69 117.98 109.87 3hae s PHE 27 Ca 0.49 0.47 -0.26 0.00 -0.05 0.00 0.00 56.93 57.59 3hae s PHE 27 Cb -0.23 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 42.69 3hae s PHE 27 CO 0.78 -0.75 1.56 0.95 -0.05 0.00 0.00 175.22 177.71 3hae s THR 28 N -3.11 3.61 0.37 -4.49 -4.23 -1.26 -4.83 115.64 101.70 3hae s THR 28 Ca -0.01 0.09 0.09 0.00 -1.18 0.00 0.00 61.69 60.68 3hae s THR 28 Cb -0.01 -4.54 0.32 0.00 1.34 0.00 0.00 72.50 69.61 3hae s THR 28 CO -0.08 -1.48 1.90 0.15 -0.54 0.00 0.00 174.62 174.57 3hae h PHE 29 N 11.65 0.75 0.00 3.99 3.57 -1.97 -0.04 116.94 134.89 3hae h PHE 29 Ca -0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3hae h PHE 29 Cb 1.07 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.58 3hae h PHE 29 CO 1.14 0.30 0.00 -1.13 -2.23 0.00 0.00 178.31 176.39 3hae n SER 30 N -4.53 0.00 0.04 0.41 3.41 -1.26 -1.77 113.62 109.93 3hae n SER 30 Ca 0.15 -0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 3hae n SER 30 Cb 0.43 -0.26 0.31 0.00 -0.26 0.00 0.00 64.21 64.42 3hae n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hae n ALA 31 N -1.26 2.86 -2.88 7.33 0.00 -0.03 -4.20 120.51 122.34 3hae n ALA 31 Ca 0.11 -0.21 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 3hae n ALA 31 Cb 0.17 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 3hae n ALA 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hae s TYR 32 N -3.09 3.08 0.29 0.00 1.51 -0.73 -4.61 117.35 113.81 3hae s TYR 32 Ca 0.09 -0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 3hae s TYR 32 Cb 0.15 -1.94 -0.11 0.00 -0.11 0.00 0.00 41.96 39.95 3hae s TYR 32 CO 0.66 0.09 1.57 0.20 -1.11 0.00 0.00 175.55 176.96 3hae s GLY 33 N 0.13 2.16 0.07 0.71 0.00 -0.91 -4.15 107.32 105.33 3hae s GLY 33 Ca 0.00 1.54 0.07 0.00 0.00 0.00 0.00 44.72 46.33 3hae s GLY 33 CO 0.02 2.51 -0.13 1.06 0.00 0.00 0.00 173.10 176.57 3hae s MET 34 N -0.52 2.15 0.20 2.90 -1.94 -0.02 -0.19 119.30 121.88 3hae s MET 34 Ca 0.63 -0.97 -0.17 0.00 -1.71 0.00 0.00 55.69 53.47 3hae s MET 34 Cb -0.47 -2.29 0.02 0.00 2.01 0.00 0.00 34.83 34.11 3hae s MET 34 CO 0.48 0.53 0.51 0.20 -0.01 0.00 0.00 175.02 176.73 3hae s GLY 35 N -1.81 -0.04 -0.03 -0.03 0.00 0.25 0.03 107.32 105.68 3hae s GLY 35 Ca 0.18 -0.28 0.06 0.00 0.00 0.00 0.00 44.72 44.68 3hae s GLY 35 CO 0.10 -0.30 -0.20 -0.98 0.00 0.00 0.00 173.10 171.72 3hae s TRP 36 N -3.88 2.54 -0.02 1.90 0.52 0.08 -0.87 118.94 119.20 3hae s TRP 36 Ca 0.10 -0.28 -0.01 0.00 0.02 0.00 0.00 56.10 55.93 3hae s TRP 36 Cb -0.01 -1.56 0.02 0.00 -1.15 0.00 0.00 33.47 30.76 3hae s TRP 36 CO -0.02 0.09 0.03 0.08 0.02 0.00 0.00 176.95 177.16 3hae s VAL 37 N -0.69 -0.03 0.30 4.03 1.01 -0.99 -1.58 120.40 122.45 3hae s VAL 37 Ca 0.11 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.28 3hae s VAL 37 Cb -0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 3hae s VAL 37 CO 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 175.10 175.08 3hae s ARG 38 N 0.58 1.65 -0.42 2.72 1.70 -1.26 -0.24 118.95 123.67 3hae s ARG 38 Ca -0.05 -1.84 0.06 0.00 -0.47 0.00 0.00 55.73 53.43 3hae s ARG 38 Cb -0.07 -1.34 0.18 0.00 -0.57 0.00 0.00 34.95 33.14 3hae s ARG 38 CO -0.02 0.07 0.57 -1.14 -1.08 0.00 0.00 175.30 173.70 3hae s GLN 39 N -3.69 0.83 0.35 3.89 0.74 0.26 -1.00 119.66 121.05 3hae s GLN 39 Ca 0.31 -0.68 -0.25 0.00 0.05 0.00 0.00 55.36 54.79 3hae s GLN 39 Cb 0.03 -0.22 -0.13 0.00 1.10 0.00 0.00 33.01 33.79 3hae s GLN 39 CO 0.14 -1.23 0.71 0.00 -0.55 0.00 0.00 175.29 174.35 3hae n ALA 40 N 3.99 -1.22 -1.73 1.58 0.00 -1.26 -2.67 120.51 119.19 3hae n ALA 40 Ca 0.14 0.27 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 3hae n ALA 40 Cb 0.53 -1.84 0.04 0.00 0.00 0.00 0.00 19.45 18.18 3hae n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hae n PRO 41 N 0.65 1.75 0.00 0.00 -0.02 -1.26 -1.29 135.00 134.83 3hae n PRO 41 Ca 0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3hae n PRO 41 Cb 0.35 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3hae n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hae n GLY 42 N 0.78 1.84 4.01 -1.23 0.00 -1.26 -4.96 105.19 104.36 3hae n GLY 42 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3hae n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hae s LYS 43 N 0.00 2.09 0.64 1.61 -0.14 -0.41 -5.11 119.74 118.41 3hae s LYS 43 Ca 0.00 -1.32 -0.05 0.00 -1.36 0.00 0.00 55.97 53.24 3hae s LYS 43 Cb 0.00 -2.51 0.04 0.00 -1.68 0.00 0.00 37.83 33.68 3hae s LYS 43 CO 0.00 -1.06 0.93 0.20 -0.76 0.00 0.00 175.35 174.66 3hae s GLY 44 N -4.66 1.69 0.36 -3.33 0.00 -1.26 -4.69 107.32 95.43 3hae s GLY 44 Ca 0.63 -0.94 -0.29 0.00 0.00 0.00 0.00 44.72 44.12 3hae s GLY 44 CO 0.41 -0.60 1.51 1.08 0.00 0.00 0.00 173.10 175.50 3hae s LEU 45 N -5.08 4.33 0.00 0.66 1.43 -1.26 -4.55 118.68 114.21 3hae s LEU 45 Ca 0.58 3.02 0.00 0.00 -1.03 0.00 0.00 54.13 56.70 3hae s LEU 45 Cb -0.11 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3hae s LEU 45 CO 0.43 -0.88 0.00 1.21 0.23 0.00 0.00 176.35 177.35 3hae n GLU 46 N 0.87 0.00 0.00 1.70 2.13 -0.17 -5.00 120.64 120.18 3hae n GLU 46 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3hae n GLU 46 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.10 3hae n GLU 46 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 3hae n TRP 47 N -1.00 0.00 -0.02 4.31 -0.00 -1.26 -4.89 117.44 114.58 3hae n TRP 47 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.45 3hae n TRP 47 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.29 3hae n TRP 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 3hae n VAL 48 N 1.99 0.41 -3.56 5.87 0.31 -0.61 -4.54 118.33 118.20 3hae n VAL 48 Ca 0.00 -0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3hae n VAL 48 Cb 0.00 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.31 3hae n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hae s SER 49 N -5.51 -0.26 0.02 4.52 0.15 -1.22 0.44 113.70 111.84 3hae s SER 49 Ca -0.06 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.62 3hae s SER 49 Cb 0.02 0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3hae s SER 49 CO 0.08 -0.37 0.13 -0.55 1.20 0.00 0.00 173.24 173.73 3hae s SER 50 N -1.92 0.08 0.06 5.45 0.15 -1.03 -0.74 113.70 115.75 3hae s SER 50 Ca 0.05 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.39 3hae s SER 50 Cb -0.01 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 3hae s SER 50 CO -0.05 -0.44 -0.09 -0.51 1.20 0.00 0.00 173.24 173.35 3hae s ILE 51 N -1.94 0.70 0.49 6.45 2.07 0.10 -1.01 121.20 128.07 3hae s ILE 51 Ca -0.10 -1.28 0.08 0.00 -1.41 0.00 0.00 60.65 57.94 3hae s ILE 51 Cb -0.05 -0.89 0.04 0.00 0.13 0.00 0.00 42.46 41.69 3hae s ILE 51 CO -0.01 -0.43 0.62 -0.83 -1.91 0.00 0.00 174.94 172.38 3hae s GLY 52 N -1.87 1.92 0.00 1.50 0.00 -1.26 -0.84 107.32 106.77 3hae s GLY 52 Ca -0.04 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.82 3hae s GLY 52 CO 0.00 -1.63 0.00 1.44 0.00 0.00 0.00 173.10 172.91 3hae n SER 53 N -1.97 0.00 0.00 1.64 7.64 -1.26 -4.70 113.62 114.97 3hae n SER 53 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3hae n SER 53 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 3hae n SER 53 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hae n SER 54 N 0.00 0.00 -3.17 6.43 3.41 -1.26 -4.60 113.62 114.43 3hae n SER 54 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 3hae n SER 54 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 3hae n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hae n GLY 55 N 0.00 -2.87 7.00 5.00 0.00 -1.26 -4.88 105.19 108.18 3hae n GLY 55 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3hae n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 56 N -1.72 -1.55 0.87 -0.02 0.00 -1.26 -4.53 105.19 96.97 3hae n GLY 56 Ca 0.05 -1.31 0.09 0.00 0.00 0.00 0.00 46.02 44.85 3hae n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 57 N 0.00 -1.14 3.91 -0.02 0.00 -1.26 -4.24 105.19 102.44 3hae n GLY 57 Ca 0.00 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 3hae n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hae s THR 58 N -2.56 4.98 0.12 2.61 -4.23 -1.26 -4.69 115.64 110.61 3hae s THR 58 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.48 3hae s THR 58 Cb 0.00 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 3hae s THR 58 CO 0.00 -0.64 0.13 0.00 -0.54 0.00 0.00 174.62 173.57 3hae s ALA 59 N -2.47 0.35 0.04 3.99 0.00 -0.18 -4.99 121.76 118.50 3hae s ALA 59 Ca 0.45 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3hae s ALA 59 Cb -0.10 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 3hae s ALA 59 CO 0.38 -0.51 -0.07 0.71 0.00 0.00 0.00 175.76 176.27 3hae s TYR 60 N -3.97 0.60 0.56 0.00 2.02 -1.26 -2.47 117.35 112.82 3hae s TYR 60 Ca 0.15 -0.50 -0.20 0.00 -0.37 0.00 0.00 57.07 56.15 3hae s TYR 60 Cb 0.06 -0.36 -0.05 0.00 -0.40 0.00 0.00 41.96 41.21 3hae s TYR 60 CO -0.03 -0.10 1.20 0.00 -1.57 0.00 0.00 175.55 175.04 3hae s ALA 61 N -1.38 2.67 0.56 3.71 0.00 0.17 -4.81 121.76 122.69 3hae s ALA 61 Ca -0.11 0.99 0.25 0.00 0.00 0.00 0.00 51.96 53.09 3hae s ALA 61 Cb -0.10 -3.43 1.57 0.00 0.00 0.00 0.00 23.12 21.16 3hae s ALA 61 CO 0.00 -1.02 2.14 0.22 0.00 0.00 0.00 175.76 177.11 3hae h ASP 62 N 1.19 0.00 0.49 0.00 3.58 -1.91 0.17 116.42 119.95 3hae h ASP 62 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3hae h ASP 62 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 3hae h ASP 62 CO 0.56 0.00 0.00 -1.54 -2.88 0.00 0.00 179.24 175.38 3hae n SER 63 N -4.08 0.00 0.00 2.28 3.41 -1.26 -3.60 113.62 110.37 3hae n SER 63 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3hae n SER 63 Cb 0.23 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3hae n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hae n VAL 64 N -1.34 0.22 -0.61 -3.33 0.24 0.57 -5.03 118.33 109.05 3hae n VAL 64 Ca 0.09 -0.43 -0.15 0.00 -2.04 0.00 0.00 64.34 61.81 3hae n VAL 64 Cb 0.19 1.13 -0.07 0.00 -1.47 0.00 0.00 33.84 33.62 3hae n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3hae n LYS 65 N -0.11 0.00 -0.85 7.34 4.01 -0.93 -1.58 118.16 126.04 3hae n LYS 65 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3hae n LYS 65 Cb 0.18 -0.57 0.00 0.00 -0.51 0.00 0.00 35.03 34.13 3hae n LYS 65 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hae n GLY 66 N 2.57 0.89 0.13 0.72 0.00 -1.26 -4.79 105.19 103.46 3hae n GLY 66 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 3hae n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hae n ARG 67 N -2.08 0.74 -3.97 1.61 1.74 -0.62 -4.98 116.66 109.10 3hae n ARG 67 Ca 0.00 0.25 -0.34 0.00 -0.77 0.00 0.00 57.85 56.99 3hae n ARG 67 Cb 0.00 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 29.69 3hae n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hae s PHE 68 N -2.56 3.47 -0.10 -1.55 0.40 -1.09 -2.41 117.98 114.14 3hae s PHE 68 Ca -0.23 0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 56.43 3hae s PHE 68 Cb 0.07 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.81 3hae s PHE 68 CO 0.75 0.64 0.03 0.99 0.70 0.00 0.00 175.22 178.33 3hae s THR 69 N -1.20 0.25 0.29 0.64 2.01 0.88 -4.95 115.64 113.56 3hae s THR 69 Ca 0.23 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 3hae s THR 69 Cb -0.12 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.74 3hae s THR 69 CO 0.13 0.08 0.73 -0.51 -0.69 0.00 0.00 174.62 174.36 3hae s ILE 70 N 2.01 4.66 0.12 1.82 2.07 -1.26 -0.35 121.20 130.28 3hae s ILE 70 Ca 0.03 1.02 -0.18 0.00 -1.41 0.00 0.00 60.65 60.12 3hae s ILE 70 Cb -0.14 -3.68 0.04 0.00 0.13 0.00 0.00 42.46 38.82 3hae s ILE 70 CO -0.06 -0.07 0.44 -0.94 -1.91 0.00 0.00 174.94 172.40 3hae s SER 71 N -2.10 -0.31 0.02 4.50 1.04 -0.66 -4.97 113.70 111.22 3hae s SER 71 Ca 0.51 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.72 3hae s SER 71 Cb -0.12 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 3hae s SER 71 CO 0.18 -0.86 -0.04 0.00 0.98 0.00 0.00 173.24 173.51 3hae s ARG 72 N -3.67 0.32 -0.33 4.02 1.70 -1.26 -0.11 118.95 119.62 3hae s ARG 72 Ca 0.02 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 3hae s ARG 72 Cb 0.01 -0.14 0.10 0.00 -0.57 0.00 0.00 34.95 34.36 3hae s ARG 72 CO -0.11 0.02 0.11 0.34 -1.08 0.00 0.00 175.30 174.58 3hae s ASP 73 N -0.84 4.11 0.22 -2.89 3.68 -0.84 -5.01 116.67 115.10 3hae s ASP 73 Ca -0.07 -1.85 -0.01 0.00 2.13 0.00 0.00 52.55 52.75 3hae s ASP 73 Cb -0.06 -1.01 0.22 0.00 -1.45 0.00 0.00 42.92 40.62 3hae s ASP 73 CO -0.00 -0.39 1.59 0.78 0.13 0.00 0.00 175.17 177.28 3hae h ASN 74 N 7.84 0.60 0.00 -0.34 2.35 -1.96 -1.03 115.58 123.04 3hae h ASN 74 Ca -0.10 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3hae h ASN 74 Cb 1.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3hae h ASN 74 CO 0.48 0.93 0.00 -1.54 -1.65 0.00 0.00 177.43 175.65 3hae n SER 75 N -4.03 0.00 0.00 5.81 3.41 -1.26 -0.96 113.62 116.59 3hae n SER 75 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3hae n SER 75 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3hae n SER 75 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hae n LYS 76 N -0.82 0.53 -3.85 4.33 4.81 -0.51 -5.02 118.16 117.63 3hae n LYS 76 Ca 0.00 -0.02 -0.28 0.00 -0.87 0.00 0.00 58.31 57.14 3hae n LYS 76 Cb 0.00 -0.25 0.03 0.00 0.02 0.00 0.00 35.03 34.83 3hae n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hae n ASN 77 N -0.08 -4.05 -4.17 3.14 4.13 -0.13 -4.78 115.26 109.32 3hae n ASN 77 Ca 0.00 -0.78 -0.21 0.00 1.68 0.00 0.00 54.58 55.27 3hae n ASN 77 Cb 0.08 -3.98 -0.13 0.00 -1.54 0.00 0.00 39.78 34.21 3hae n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3hae s THR 78 N -3.39 1.25 0.00 3.41 2.01 -1.03 -1.49 115.64 116.41 3hae s THR 78 Ca 0.51 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.53 3hae s THR 78 Cb -0.25 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3hae s THR 78 CO 0.82 0.06 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.40 3hae s LEU 79 N -1.14 2.51 0.07 4.42 2.96 -1.00 -1.99 118.68 124.51 3hae s LEU 79 Ca 0.03 -0.38 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 3hae s LEU 79 Cb -0.08 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3hae s LEU 79 CO 0.01 0.29 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.78 3hae s TYR 80 N -0.80 2.37 -0.27 5.38 2.02 0.84 -1.72 117.35 125.18 3hae s TYR 80 Ca 0.13 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 3hae s TYR 80 Cb -0.10 -1.36 0.09 0.00 -0.40 0.00 0.00 41.96 40.19 3hae s TYR 80 CO 0.03 0.23 0.10 -1.17 -1.57 0.00 0.00 175.55 173.16 3hae s LEU 81 N -1.58 1.23 0.04 -1.29 2.96 -0.41 -1.65 118.68 117.99 3hae s LEU 81 Ca 0.13 -1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 3hae s LEU 81 Cb -0.10 -0.56 -0.05 0.00 0.50 0.00 0.00 46.19 45.98 3hae s LEU 81 CO 0.04 -0.40 1.16 -1.58 -1.32 0.00 0.00 176.35 174.26 3hae s GLN 82 N 1.89 4.45 -0.27 1.98 2.00 0.53 -1.91 119.66 128.33 3hae s GLN 82 Ca 0.07 1.71 -0.00 0.00 -2.00 0.00 0.00 55.36 55.14 3hae s GLN 82 Cb -0.17 -3.38 0.08 0.00 0.80 0.00 0.00 33.01 30.35 3hae s GLN 82 CO -0.25 -0.24 0.03 -1.64 -0.50 0.00 0.00 175.29 172.69 3hae s MET 83 N 1.12 1.09 0.34 1.67 -1.94 -0.05 -0.09 119.30 121.44 3hae s MET 83 Ca 0.57 -1.02 0.08 0.00 -1.71 0.00 0.00 55.69 53.62 3hae s MET 83 Cb -0.28 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 3hae s MET 83 CO 0.29 -0.79 0.14 -0.80 -0.01 0.00 0.00 175.02 173.84 3hae s ASN 84 N 1.50 4.67 -1.37 3.03 0.01 -1.01 -0.88 114.94 120.89 3hae s ASN 84 Ca 0.03 -0.78 -0.04 0.00 -0.71 0.00 0.00 52.86 51.36 3hae s ASN 84 Cb -0.18 -0.72 0.03 0.00 0.41 0.00 0.00 41.25 40.78 3hae s ASN 84 CO -0.14 -0.30 0.81 -1.20 -1.51 0.00 0.00 177.10 174.77 3hae n SER 85 N -1.15 -2.47 -4.67 -1.22 7.64 -0.53 -4.75 113.62 106.47 3hae n SER 85 Ca -0.03 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 3hae n SER 85 Cb 0.61 -4.07 -0.03 0.00 -1.01 0.00 0.00 64.21 59.71 3hae n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hae s LEU 86 N -6.87 4.28 0.39 -3.43 1.43 -0.98 -4.56 118.68 108.93 3hae s LEU 86 Ca 0.22 2.04 0.03 0.00 -1.03 0.00 0.00 54.13 55.39 3hae s LEU 86 Cb -0.11 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 3hae s LEU 86 CO 0.81 -0.81 0.57 -0.13 0.23 0.00 0.00 176.35 177.02 3hae s ARG 87 N 3.35 3.11 0.26 1.70 0.52 -1.26 -1.02 118.95 125.61 3hae s ARG 87 Ca 0.65 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 55.14 3hae s ARG 87 Cb -0.29 -2.68 0.57 0.00 0.52 0.00 0.00 34.95 33.06 3hae s ARG 87 CO 0.24 -0.10 1.70 0.00 0.02 0.00 0.00 175.30 177.17 3hae h ALA 88 N 0.64 1.17 -1.70 2.13 0.00 -1.96 0.67 119.26 120.21 3hae h ALA 88 Ca -0.46 0.15 0.50 0.00 0.00 0.00 0.00 54.91 55.10 3hae h ALA 88 Cb 1.25 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 3hae h ALA 88 CO 0.56 -0.30 1.22 0.39 0.00 0.00 0.00 179.25 181.11 3hae n GLU 89 N -5.07 -0.00 -0.14 0.00 4.71 -1.26 -1.45 120.64 117.42 3hae n GLU 89 Ca 0.17 0.97 0.06 0.00 -0.01 0.00 0.00 57.16 58.35 3hae n GLU 89 Cb 0.53 -2.20 0.20 0.00 -1.01 0.00 0.00 31.44 28.95 3hae n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hae n ASP 90 N -3.75 1.60 -4.63 1.62 8.00 0.23 -4.86 116.55 114.76 3hae n ASP 90 Ca 0.39 -1.92 -0.43 0.00 0.71 0.00 0.00 54.79 53.54 3hae n ASP 90 Cb 1.75 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 42.65 3hae n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hae s THR 91 N -1.64 4.41 0.06 -3.53 2.01 -0.53 -4.90 115.64 111.52 3hae s THR 91 Ca 0.23 1.58 -0.28 0.00 0.31 0.00 0.00 61.69 63.53 3hae s THR 91 Cb 0.12 -4.46 0.10 0.00 0.01 0.00 0.00 72.50 68.26 3hae s THR 91 CO 0.17 -0.63 1.16 0.00 -0.69 0.00 0.00 174.62 174.62 3hae s ALA 92 N 3.91 -2.00 0.06 7.40 0.00 -0.86 -4.29 121.76 125.97 3hae s ALA 92 Ca 0.47 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 3hae s ALA 92 Cb -0.11 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3hae s ALA 92 CO 0.20 -1.06 0.98 0.08 0.00 0.00 0.00 175.76 175.96 3hae s VAL 93 N -2.72 4.67 -0.20 0.00 1.01 -1.09 -1.31 120.40 120.75 3hae s VAL 93 Ca 0.14 2.05 -0.06 0.00 0.00 0.00 0.00 61.98 64.11 3hae s VAL 93 Cb 0.02 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3hae s VAL 93 CO -0.01 0.23 0.04 -0.31 0.00 0.00 0.00 175.10 175.05 3hae s TYR 94 N 0.52 3.13 -0.14 5.22 2.02 0.62 -0.58 117.35 128.15 3hae s TYR 94 Ca 0.50 -0.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.94 3hae s TYR 94 Cb -0.22 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 3hae s TYR 94 CO 0.29 -0.09 0.05 0.71 -1.57 0.00 0.00 175.55 174.94 3hae s TYR 95 N 0.84 3.26 -0.01 2.71 2.02 0.66 0.96 117.35 127.79 3hae s TYR 95 Ca 0.02 0.16 -0.23 0.00 -0.37 0.00 0.00 57.07 56.65 3hae s TYR 95 Cb -0.14 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3hae s TYR 95 CO 0.02 0.34 0.69 0.00 -1.57 0.00 0.00 175.55 175.03 3hae s ALA 97 N 0.23 -0.96 0.13 0.00 0.00 -0.05 -0.34 121.76 120.77 3hae s ALA 97 Ca 0.36 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.99 3hae s ALA 97 Cb -0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3hae s ALA 97 CO 0.19 -0.27 -0.12 0.20 0.00 0.00 0.00 175.76 175.77 3hae s GLY 98 N -1.07 1.74 -0.13 0.00 0.00 0.11 0.88 107.32 108.85 3hae s GLY 98 Ca -0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 44.72 43.24 3hae s GLY 98 CO 0.04 -1.35 -0.09 -1.83 0.00 0.00 0.00 173.10 169.87 3hae s GLU 99 N -2.41 3.43 0.56 2.90 -1.05 0.73 -0.41 118.70 122.45 3hae s GLU 99 Ca 0.22 -0.62 0.33 0.00 -0.15 0.00 0.00 54.97 54.75 3hae s GLU 99 Cb -0.10 -2.72 1.80 0.00 -0.44 0.00 0.00 34.13 32.66 3hae s GLU 99 CO 0.13 0.26 2.00 1.25 0.95 0.00 0.00 175.26 179.85 3hae h LEU 100 N 6.59 0.00 -7.10 1.83 7.12 -1.87 -2.41 115.31 119.46 3hae h LEU 100 Ca -0.29 0.00 0.24 0.00 0.13 0.00 0.00 57.88 57.96 3hae h LEU 100 Cb 1.20 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.17 3hae h LEU 100 CO 0.58 0.00 0.73 -0.76 -0.13 0.00 0.00 178.44 178.86 3hae s LEU 101 N -5.51 -0.16 -0.03 2.25 1.43 -1.26 -4.82 118.68 110.58 3hae s LEU 101 Ca -0.04 -0.06 -0.35 0.00 -1.03 0.00 0.00 54.13 52.64 3hae s LEU 101 Cb 0.10 1.56 -0.14 0.00 0.03 0.00 0.00 46.19 47.74 3hae s LEU 101 CO 0.30 -0.37 1.70 -2.65 0.23 0.00 0.00 176.35 175.56 3hae n PRO 102 N -0.24 1.85 -0.98 1.29 -0.02 -1.26 -2.81 135.00 132.83 3hae n PRO 102 Ca -0.04 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3hae n PRO 102 Cb 0.60 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3hae n PRO 102 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hae n TYR 103 N 4.97 0.00 -0.36 6.00 4.01 -1.26 -4.85 117.16 125.66 3hae n TYR 103 Ca 0.21 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.97 3hae n TYR 103 Cb 0.25 -0.09 0.16 0.00 -0.31 0.00 0.00 39.34 39.35 3hae n TYR 103 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3hae h TYR 104 N 0.00 1.18 0.00 -0.72 3.20 -1.93 -3.50 116.97 115.20 3hae h TYR 104 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hae h TYR 104 Cb 0.01 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 37.89 3hae h TYR 104 CO 0.01 0.63 0.00 0.41 -1.64 0.00 0.00 178.16 177.57 3hae n GLY 105 N -1.36 1.01 3.59 1.82 0.00 -1.26 -4.96 105.19 104.02 3hae n GLY 105 Ca 0.14 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3hae n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hae s MET 106 N -2.04 3.72 0.00 1.61 -1.94 -1.26 -4.24 119.30 115.14 3hae s MET 106 Ca 0.00 0.45 0.06 0.00 -1.71 0.00 0.00 55.69 54.48 3hae s MET 106 Cb 0.00 -3.86 0.05 0.00 2.01 0.00 0.00 34.83 33.02 3hae s MET 106 CO 0.00 -1.12 0.69 -0.40 -0.01 0.00 0.00 175.02 174.18 3hae n ASP 107 N 7.10 1.50 -3.72 3.03 5.75 0.45 -4.88 116.55 125.78 3hae n ASP 107 Ca 0.08 -1.25 -0.25 0.00 -0.01 0.00 0.00 54.79 53.36 3hae n ASP 107 Cb 0.48 -0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.40 3hae n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hae s VAL 108 N -0.49 0.32 0.25 2.12 1.01 -1.12 -4.99 120.40 117.50 3hae s VAL 108 Ca 0.07 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 61.97 3hae s VAL 108 Cb 0.05 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 3hae s VAL 108 CO 0.07 -0.03 -0.11 0.26 0.00 0.00 0.00 175.10 175.29 3hae s TRP 109 N 1.97 2.51 0.09 5.22 0.52 -1.26 0.08 118.94 128.07 3hae s TRP 109 Ca 0.02 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.87 3hae s TRP 109 Cb -0.15 -1.13 0.02 0.00 -1.15 0.00 0.00 33.47 31.06 3hae s TRP 109 CO -0.07 0.64 0.13 0.41 0.02 0.00 0.00 176.95 178.08 3hae n GLY 110 N -0.59 0.82 0.10 0.98 0.00 0.54 -4.45 105.19 102.58 3hae n GLY 110 Ca -0.07 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 44.03 3hae n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLN 111 N -1.24 0.62 0.00 1.61 10.64 -1.26 -4.84 117.38 122.91 3hae n GLN 111 Ca 0.02 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 3hae n GLN 111 Cb 0.08 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 27.67 3hae n GLN 111 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hae n GLY 112 N 1.30 2.63 3.06 2.61 0.00 -1.26 -5.01 105.19 108.52 3hae n GLY 112 Ca -0.06 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 3hae n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hae s THR 113 N -2.03 0.31 -0.17 2.61 -1.32 0.27 -4.86 115.64 110.46 3hae s THR 113 Ca 0.00 -1.39 -0.07 0.00 -1.21 0.00 0.00 61.69 59.03 3hae s THR 113 Cb 0.00 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 3hae s THR 113 CO 0.00 -0.69 0.05 -0.89 -2.21 0.00 0.00 174.62 170.87 3hae s THR 114 N -2.56 4.64 -0.22 5.08 2.01 -1.26 0.23 115.64 123.56 3hae s THR 114 Ca -0.03 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.89 3hae s THR 114 Cb -0.02 -3.08 0.05 0.00 0.01 0.00 0.00 72.50 69.46 3hae s THR 114 CO -0.04 0.47 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.57 3hae s VAL 115 N 0.32 1.75 -0.18 3.82 1.01 -0.43 -3.31 120.40 123.38 3hae s VAL 115 Ca 0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 3hae s VAL 115 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3hae s VAL 115 CO 0.01 0.07 -0.03 -0.89 0.00 0.00 0.00 175.10 174.25 3hae s THR 116 N 1.33 3.76 -0.36 3.92 2.01 0.63 -2.02 115.64 124.90 3hae s THR 116 Ca -0.04 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 3hae s THR 116 Cb -0.18 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.69 3hae s THR 116 CO -0.07 0.47 0.19 -0.69 -0.69 0.00 0.00 174.62 173.83 3hae s VAL 117 N 0.72 4.52 0.09 3.82 1.01 -1.26 -0.40 120.40 128.90 3hae s VAL 117 Ca -0.02 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 3hae s VAL 117 Cb -0.14 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.80 3hae s VAL 117 CO 0.02 -0.20 0.59 -0.55 0.00 0.00 0.00 175.10 174.97 3hae s SER 118 N 1.55 -0.54 0.01 3.32 0.15 -0.09 -4.55 113.70 113.56 3hae s SER 118 Ca 0.02 0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.06 3hae s SER 118 Cb -0.19 0.56 0.05 0.00 -1.71 0.00 0.00 66.02 64.73 3hae s SER 118 CO 0.06 -0.84 1.06 -1.54 1.20 0.00 0.00 173.24 173.18 3hae n SER 119 N 0.03 0.70 -4.77 5.45 3.41 -1.26 -3.75 113.62 113.43 3hae n SER 119 Ca -0.18 -0.51 -0.35 0.00 -0.26 0.00 0.00 58.87 57.57 3hae n SER 119 Cb 0.62 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 3hae n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hae s ALA 120 N -3.08 2.69 0.34 7.33 0.00 -1.26 -4.99 121.76 122.79 3hae s ALA 120 Ca 0.07 0.83 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 3hae s ALA 120 Cb 0.16 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 3hae s ALA 120 CO 0.81 -0.79 1.02 -1.12 0.00 0.00 0.00 175.76 175.68 3hae s SER 121 N -1.78 7.08 -0.44 0.00 0.01 -1.26 -4.99 113.70 112.32 3hae s SER 121 Ca 0.73 2.03 -0.29 0.00 1.31 0.00 0.00 55.95 59.73 3hae s SER 121 Cb -0.24 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.41 3hae s SER 121 CO 0.27 -0.26 1.38 0.28 0.41 0.00 0.00 173.24 175.32 3hae s THR 122 N -1.51 3.93 -0.10 1.44 -1.32 -1.26 -4.80 115.64 112.02 3hae s THR 122 Ca 0.52 0.93 -0.03 0.00 -1.21 0.00 0.00 61.69 61.90 3hae s THR 122 Cb -0.23 -4.28 -0.03 0.00 -1.51 0.00 0.00 72.50 66.44 3hae s THR 122 CO 0.30 -0.84 0.02 -0.75 -2.21 0.00 0.00 174.62 171.15 3hae s LYS 123 N 4.95 3.11 0.14 7.08 2.20 -1.24 -4.91 119.74 131.07 3hae s LYS 123 Ca 0.59 -0.36 -0.21 0.00 -0.36 0.00 0.00 55.97 55.62 3hae s LYS 123 Cb -0.12 -2.88 -0.07 0.00 -1.51 0.00 0.00 37.83 33.25 3hae s LYS 123 CO 0.32 0.69 0.67 0.20 -0.36 0.00 0.00 175.35 176.87 3hae s GLY 124 N -0.82 2.74 0.68 5.54 0.00 -1.26 -1.23 107.32 112.96 3hae s GLY 124 Ca 0.13 0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.89 3hae s GLY 124 CO 0.02 0.60 1.08 -4.14 0.00 0.00 0.00 173.10 170.66 3hae s PRO 125 N -1.35 2.85 -0.11 2.90 0.02 -1.25 -4.74 135.00 133.33 3hae s PRO 125 Ca 0.35 1.15 -0.06 0.00 0.02 0.00 0.00 61.00 62.46 3hae s PRO 125 Cb -0.20 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 3hae s PRO 125 CO 0.22 -1.18 0.14 -1.12 -0.33 0.00 0.00 177.00 174.73 3hae s SER 126 N -3.21 6.35 -0.20 2.53 0.01 0.51 -4.91 113.70 114.77 3hae s SER 126 Ca 0.62 0.45 -0.01 0.00 1.31 0.00 0.00 55.95 58.31 3hae s SER 126 Cb -0.16 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.03 3hae s SER 126 CO 0.48 0.40 -0.12 -0.69 0.41 0.00 0.00 173.24 173.72 3hae s VAL 127 N -1.05 2.70 0.04 3.43 1.01 -1.26 0.42 120.40 125.69 3hae s VAL 127 Ca 0.16 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.46 3hae s VAL 127 Cb -0.12 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3hae s VAL 127 CO 0.05 0.45 -0.25 -0.36 0.00 0.00 0.00 175.10 175.00 3hae s PHE 128 N 1.37 2.38 -0.08 5.22 0.08 0.69 -4.97 117.98 122.67 3hae s PHE 128 Ca 0.05 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 3hae s PHE 128 Cb -0.14 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 3hae s PHE 128 CO -0.08 0.14 1.02 -1.25 -0.10 0.00 0.00 175.22 174.95 3hae s PRO 129 N -1.23 4.45 -0.40 0.24 0.04 -1.26 -0.30 135.00 136.53 3hae s PRO 129 Ca 0.12 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 3hae s PRO 129 Cb -0.10 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.93 3hae s PRO 129 CO 0.02 -0.27 0.48 -0.51 0.04 0.00 0.00 177.00 176.77 3hae s LEU 130 N 1.80 4.66 0.18 -3.56 1.43 -0.80 -4.89 118.68 117.51 3hae s LEU 130 Ca 0.50 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3hae s LEU 130 Cb -0.19 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 3hae s LEU 130 CO 0.20 -0.58 0.38 0.00 0.23 0.00 0.00 176.35 176.59 3hae s ALA 131 N 2.30 3.81 0.49 4.21 0.00 -1.26 -1.03 121.76 130.28 3hae s ALA 131 Ca 0.15 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 3hae s ALA 131 Cb -0.16 -2.05 -0.08 0.00 0.00 0.00 0.00 23.12 20.82 3hae s ALA 131 CO 0.14 0.54 1.04 -2.14 0.00 0.00 0.00 175.76 175.34 3hae s PRO 132 N -3.03 3.77 0.42 0.00 0.02 -1.25 -4.89 135.00 130.03 3hae s PRO 132 Ca 0.40 1.34 -0.04 0.00 0.02 0.00 0.00 61.00 62.71 3hae s PRO 132 Cb -0.12 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 3hae s PRO 132 CO 0.27 -0.45 0.70 0.45 -0.33 0.00 0.00 177.00 177.64 3hae s SER 133 N -2.06 6.32 0.06 2.53 0.15 -1.26 -4.73 113.70 114.71 3hae s SER 133 Ca 0.67 0.81 0.14 0.00 0.70 0.00 0.00 55.95 58.28 3hae s SER 133 Cb -0.16 -2.19 -0.14 0.00 -1.71 0.00 0.00 66.02 61.81 3hae s SER 133 CO 0.21 -0.45 0.90 0.28 1.20 0.00 0.00 173.24 175.38 3hae h SER 134 N 0.62 0.00 0.00 5.45 0.02 -1.97 -3.36 113.55 114.31 3hae h SER 134 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3hae h SER 134 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3hae h SER 134 CO 0.62 0.73 -0.00 0.11 -1.14 0.00 0.00 176.83 177.15 3hae h LYS 135 N 0.00 -0.00 0.00 3.45 1.57 -1.98 -2.80 116.57 116.81 3hae h LYS 135 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3hae h LYS 135 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.01 3hae h LYS 135 CO 0.07 0.85 0.00 0.45 -0.57 0.00 0.00 179.45 180.25 3hae n SER 136 N -4.64 0.00 -3.33 0.86 2.88 -1.26 -2.41 113.62 105.72 3hae n SER 136 Ca -0.09 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.17 3hae n SER 136 Cb 0.41 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.84 3hae n SER 136 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3hae n THR 137 N -3.16 1.94 0.00 2.46 -1.04 -1.06 -3.65 114.28 109.77 3hae n THR 137 Ca 0.00 -1.34 0.00 0.00 -2.04 0.00 0.00 64.05 60.67 3hae n THR 137 Cb 0.00 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.37 3hae n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hae n SER 138 N 5.59 0.00 0.00 8.00 3.41 -1.01 -5.06 113.62 124.55 3hae n SER 138 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3hae n SER 138 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3hae n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hae n GLY 139 N 5.00 0.69 7.00 5.00 0.00 -1.26 -4.86 105.19 116.76 3hae n GLY 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hae n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hae n GLY 140 N 5.00 2.30 3.40 -0.02 0.00 -1.26 -4.46 105.19 110.14 3hae n GLY 140 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 3hae n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hae s THR 141 N 0.00 0.03 0.01 2.61 2.01 -1.24 -3.36 115.64 115.69 3hae s THR 141 Ca 0.00 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.81 3hae s THR 141 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 3hae s THR 141 CO 0.00 -0.12 -0.09 0.00 -0.69 0.00 0.00 174.62 173.72 3hae s ALA 142 N -2.40 0.76 -0.22 7.40 0.00 0.36 -4.24 121.76 123.43 3hae s ALA 142 Ca -0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 3hae s ALA 142 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3hae s ALA 142 CO -0.01 0.15 0.06 0.00 0.00 0.00 0.00 175.76 175.96 3hae s ALA 143 N -0.47 3.24 0.03 0.00 0.00 -1.26 -1.39 121.76 121.90 3hae s ALA 143 Ca 0.01 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3hae s ALA 143 Cb -0.05 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 3hae s ALA 143 CO 0.00 -0.22 -0.05 -0.48 0.00 0.00 0.00 175.76 175.01 3hae s LEU 144 N 1.12 2.24 0.00 0.00 0.05 -0.91 -3.96 118.68 117.22 3hae s LEU 144 Ca 0.04 -0.51 -0.03 0.00 0.05 0.00 0.00 54.13 53.68 3hae s LEU 144 Cb -0.14 -0.01 0.01 0.00 -2.05 0.00 0.00 46.19 44.00 3hae s LEU 144 CO 0.03 -0.25 0.31 0.61 -0.55 0.00 0.00 176.35 176.50 3hae n GLY 145 N 1.59 2.21 2.83 -3.48 0.00 -0.20 -0.19 105.19 107.94 3hae n GLY 145 Ca -0.23 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 3hae n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hae s LEU 147 N 1.20 4.53 -0.43 0.00 2.96 0.59 -2.43 118.68 125.10 3hae s LEU 147 Ca -0.07 -0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 3hae s LEU 147 Cb -0.13 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.38 3hae s LEU 147 CO -0.02 -0.28 0.37 -0.69 -1.32 0.00 0.00 176.35 174.41 3hae s VAL 148 N 1.82 5.19 -0.16 1.68 1.01 -0.68 -0.22 120.40 129.04 3hae s VAL 148 Ca 0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3hae s VAL 148 Cb -0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3hae s VAL 148 CO 0.11 -0.42 0.04 -0.75 0.00 0.00 0.00 175.10 174.07 3hae s LYS 149 N 1.84 3.75 -0.30 2.72 2.47 0.17 -1.13 119.74 129.24 3hae s LYS 149 Ca 0.07 -0.38 -0.14 0.00 -1.56 0.00 0.00 55.97 53.96 3hae s LYS 149 Cb -0.20 -3.09 0.02 0.00 -1.46 0.00 0.00 37.83 33.10 3hae s LYS 149 CO 0.10 0.36 0.32 -0.25 0.16 0.00 0.00 175.35 176.05 3hae n ASP 150 N 3.24 -7.06 -4.06 1.43 8.00 -0.07 -0.37 116.55 117.67 3hae n ASP 150 Ca -0.17 0.57 -0.18 0.00 0.71 0.00 0.00 54.79 55.72 3hae n ASP 150 Cb 0.53 -3.58 -0.14 0.00 -0.02 0.00 0.00 41.12 37.91 3hae n ASP 150 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hae s TYR 151 N -1.71 0.89 0.15 1.24 1.13 0.91 -3.79 117.35 116.18 3hae s TYR 151 Ca 0.16 -0.27 0.09 0.00 -1.41 0.00 0.00 57.07 55.64 3hae s TYR 151 Cb -0.03 -0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 40.24 3hae s TYR 151 CO 0.62 -0.01 -0.17 0.12 -2.51 0.00 0.00 175.55 173.61 3hae s PHE 152 N -0.61 2.52 0.00 -3.49 5.36 -0.37 -1.38 117.98 120.02 3hae s PHE 152 Ca 0.00 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.71 3hae s PHE 152 Cb -0.06 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 41.33 3hae s PHE 152 CO 0.00 0.44 0.00 -2.30 -1.46 0.00 0.00 175.22 171.91 3hae n PRO 153 N 0.47 0.00 -1.65 10.12 -0.01 -1.26 -3.65 135.00 139.02 3hae n PRO 153 Ca -0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 63.50 62.95 3hae n PRO 153 Cb 0.54 0.00 0.02 0.00 -0.01 0.00 0.00 33.50 34.05 3hae n PRO 153 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 3hae n GLU 154 N 0.00 1.57 -3.63 -0.52 -0.58 -1.26 -4.59 120.64 111.62 3hae n GLU 154 Ca 0.00 0.56 -0.21 0.00 -0.42 0.00 0.00 57.16 57.10 3hae n GLU 154 Cb 0.00 -2.21 -0.03 0.00 -0.57 0.00 0.00 31.44 28.64 3hae n GLU 154 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hae s PRO 155 N -2.17 2.69 0.06 3.49 0.04 -1.26 -4.93 135.00 132.92 3hae s PRO 155 Ca 0.63 -1.36 0.04 0.00 0.04 0.00 0.00 61.00 60.35 3hae s PRO 155 Cb -0.52 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 3hae s PRO 155 CO 0.56 -0.04 -0.00 0.08 0.04 0.00 0.00 177.00 177.64 3hae s VAL 156 N -2.36 4.03 -0.14 -0.36 1.01 -1.26 -4.62 120.40 116.70 3hae s VAL 156 Ca 0.45 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3hae s VAL 156 Cb -0.05 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3hae s VAL 156 CO 0.28 0.20 -0.07 -0.89 0.00 0.00 0.00 175.10 174.61 3hae s THR 157 N -1.24 3.59 -0.14 3.92 2.01 0.18 -4.95 115.64 119.01 3hae s THR 157 Ca 0.24 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 3hae s THR 157 Cb -0.12 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 69.88 3hae s THR 157 CO 0.16 0.51 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.82 3hae s VAL 158 N 0.23 1.26 0.40 3.82 1.01 -1.26 0.26 120.40 126.12 3hae s VAL 158 Ca -0.05 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3hae s VAL 158 Cb -0.14 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3hae s VAL 158 CO 0.04 0.35 0.36 -0.94 0.00 0.00 0.00 175.10 174.91 3hae s SER 159 N 1.61 5.11 -0.08 3.32 1.04 -0.93 -4.98 113.70 118.79 3hae s SER 159 Ca 0.04 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.83 3hae s SER 159 Cb -0.13 -0.66 -0.00 0.00 0.10 0.00 0.00 66.02 65.33 3hae s SER 159 CO -0.09 -0.59 -0.23 0.26 0.98 0.00 0.00 173.24 173.57 3hae s TRP 160 N -2.43 2.39 -1.30 5.02 0.52 -1.26 -0.97 118.94 120.90 3hae s TRP 160 Ca 0.47 -0.86 -0.02 0.00 0.02 0.00 0.00 56.10 55.71 3hae s TRP 160 Cb -0.04 -1.59 0.01 0.00 -1.15 0.00 0.00 33.47 30.70 3hae s TRP 160 CO 0.28 -0.32 0.83 0.09 0.02 0.00 0.00 176.95 177.85 3hae n ASN 161 N 3.29 -1.98 -3.93 2.95 3.02 0.19 -1.20 115.26 117.60 3hae n ASN 161 Ca -0.19 -0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 3hae n ASN 161 Cb 0.53 -4.37 0.03 0.00 -0.61 0.00 0.00 39.78 35.35 3hae n ASN 161 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hae n SER 162 N -3.05 -4.59 -4.31 6.41 7.64 -1.26 -2.88 113.62 111.57 3hae n SER 162 Ca -0.25 -1.20 -0.38 0.00 1.01 0.00 0.00 58.87 58.05 3hae n SER 162 Cb 0.66 -2.26 -0.04 0.00 -1.01 0.00 0.00 64.21 61.55 3hae n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hae n GLY 163 N -1.95 -0.42 0.12 0.23 0.00 -0.34 -4.82 105.19 98.01 3hae n GLY 163 Ca -0.11 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 3hae n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hae n ALA 164 N -4.30 1.46 -2.51 4.61 0.00 -1.10 -4.86 120.51 113.82 3hae n ALA 164 Ca 0.07 -1.17 -0.43 0.00 0.00 0.00 0.00 53.44 51.90 3hae n ALA 164 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 3hae n ALA 164 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hae s LEU 165 N -6.22 3.64 -0.02 0.00 0.20 -1.21 -4.87 118.68 110.19 3hae s LEU 165 Ca -0.28 0.64 0.01 0.00 0.69 0.00 0.00 54.13 55.19 3hae s LEU 165 Cb 0.08 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.28 3hae s LEU 165 CO 0.67 -1.30 -0.01 0.41 -0.29 0.00 0.00 176.35 175.83 3hae n THR 166 N 6.86 0.13 -2.51 3.68 -1.04 -1.26 -4.47 114.28 115.68 3hae n THR 166 Ca 0.14 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.66 3hae n THR 166 Cb 0.48 -0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 68.24 3hae n THR 166 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3hae s SER 167 N -3.85 7.15 -1.47 8.00 0.15 -1.26 -3.31 113.70 119.12 3hae s SER 167 Ca -0.02 1.88 -0.10 0.00 0.70 0.00 0.00 55.95 58.41 3hae s SER 167 Cb 0.01 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.80 3hae s SER 167 CO 0.06 -0.43 0.95 0.61 1.20 0.00 0.00 173.24 175.63 3hae n GLY 168 N 3.16 -0.46 3.85 9.45 0.00 -1.26 -4.70 105.19 115.23 3hae n GLY 168 Ca 0.08 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 3hae n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 169 N -3.38 5.44 -0.27 1.61 1.01 -1.21 -0.16 120.40 123.44 3hae s VAL 169 Ca 0.51 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 3hae s VAL 169 Cb -0.25 -3.45 0.09 0.00 0.00 0.00 0.00 36.38 32.77 3hae s VAL 169 CO 0.81 0.58 0.10 -2.28 0.00 0.00 0.00 175.10 174.32 3hae s HIS 170 N -0.79 1.02 -0.01 5.22 2.46 0.17 -4.98 115.29 118.38 3hae s HIS 170 Ca 0.15 -1.20 -0.24 0.00 0.47 0.00 0.00 55.06 54.24 3hae s HIS 170 Cb -0.12 -1.25 -0.05 0.00 -0.13 0.00 0.00 32.58 31.03 3hae s HIS 170 CO 0.04 -0.79 0.73 0.99 -2.47 0.00 0.00 174.74 173.24 3hae s THR 171 N 1.86 4.90 0.09 0.89 2.01 -1.26 0.00 115.64 124.13 3hae s THR 171 Ca 0.07 1.53 -0.11 0.00 0.31 0.00 0.00 61.69 63.49 3hae s THR 171 Cb -0.17 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 3hae s THR 171 CO -0.25 0.31 0.44 -0.36 -0.69 0.00 0.00 174.62 174.06 3hae s PHE 172 N 0.36 3.60 0.36 4.92 0.40 -0.06 -4.94 117.98 122.63 3hae s PHE 172 Ca 0.38 0.87 -0.26 0.00 -0.60 0.00 0.00 56.93 57.32 3hae s PHE 172 Cb -0.19 -2.22 -0.12 0.00 0.51 0.00 0.00 43.02 41.00 3hae s PHE 172 CO 0.20 0.50 1.02 -2.30 0.70 0.00 0.00 175.22 175.35 3hae n PRO 173 N 0.93 1.41 -1.72 0.24 -0.02 -1.26 -4.47 135.00 130.11 3hae n PRO 173 Ca -0.08 0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 3hae n PRO 173 Cb 0.52 -1.98 0.07 0.00 -0.02 0.00 0.00 33.50 32.09 3hae n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hae s ALA 174 N -1.19 2.57 0.15 3.55 0.00 -1.26 -4.81 121.76 120.78 3hae s ALA 174 Ca 0.61 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.38 3hae s ALA 174 Cb -0.61 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3hae s ALA 174 CO 0.59 -1.43 -0.10 0.54 0.00 0.00 0.00 175.76 175.36 3hae s VAL 175 N -3.26 3.26 -0.34 0.00 0.11 0.58 -4.99 120.40 115.77 3hae s VAL 175 Ca 0.59 -1.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 3hae s VAL 175 Cb -0.13 -2.58 0.10 0.00 -1.53 0.00 0.00 36.38 32.24 3hae s VAL 175 CO 0.53 -0.02 0.05 -0.22 -3.33 0.00 0.00 175.10 172.11 3hae s LEU 176 N -2.59 4.74 0.81 2.54 2.96 -1.26 -2.62 118.68 123.26 3hae s LEU 176 Ca 0.23 -2.11 -0.12 0.00 -0.22 0.00 0.00 54.13 51.91 3hae s LEU 176 Cb -0.10 -1.64 0.08 0.00 0.50 0.00 0.00 46.19 45.03 3hae s LEU 176 CO 0.15 -0.38 1.18 0.00 -1.32 0.00 0.00 176.35 175.97 3hae s GLN 177 N 0.93 1.96 0.54 1.98 -2.07 -1.11 -4.96 119.66 116.92 3hae s GLN 177 Ca 0.10 0.11 0.35 0.00 -1.82 0.00 0.00 55.36 54.10 3hae s GLN 177 Cb -0.19 -1.95 1.64 0.00 -1.09 0.00 0.00 33.01 31.42 3hae s GLN 177 CO -0.08 -1.60 2.05 0.66 -1.32 0.00 0.00 175.29 175.00 3hae h SER 178 N -1.06 0.00 0.00 12.60 4.64 -1.99 -2.05 113.55 125.68 3hae h SER 178 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hae h SER 178 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3hae h SER 178 CO 0.66 0.00 0.03 0.77 -0.87 0.00 0.00 176.83 177.42 3hae h SER 179 N 0.00 0.00 0.00 4.97 4.64 -2.03 -3.44 113.55 117.69 3hae h SER 179 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hae h SER 179 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hae h SER 179 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3hae n GLY 180 N -1.24 0.55 3.58 -0.77 0.00 -0.77 -5.05 105.19 101.49 3hae n GLY 180 Ca -0.02 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3hae n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hae s LEU 181 N 0.00 2.96 0.04 0.99 1.43 -1.26 -4.88 118.68 117.95 3hae s LEU 181 Ca 0.00 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 3hae s LEU 181 Cb 0.00 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3hae s LEU 181 CO 0.00 0.02 0.05 -0.31 0.23 0.00 0.00 176.35 176.33 3hae s TYR 182 N -2.40 3.15 0.04 0.29 2.02 -0.48 -2.76 117.35 117.22 3hae s TYR 182 Ca 0.31 0.10 0.07 0.00 -0.37 0.00 0.00 57.07 57.18 3hae s TYR 182 Cb -0.06 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3hae s TYR 182 CO 0.18 0.51 -0.21 -1.12 -1.57 0.00 0.00 175.55 173.33 3hae s SER 183 N -1.97 2.54 0.13 2.29 0.01 -1.08 -0.06 113.70 115.55 3hae s SER 183 Ca 0.24 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.00 3hae s SER 183 Cb -0.12 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 3hae s SER 183 CO 0.16 0.17 0.07 0.00 0.41 0.00 0.00 173.24 174.05 3hae n LEU 184 N 1.88 0.00 -3.65 2.44 -0.00 -0.29 -0.31 117.00 117.08 3hae n LEU 184 Ca -0.17 -1.05 -0.07 0.00 -0.00 0.00 0.00 56.01 54.71 3hae n LEU 184 Cb 0.53 0.42 -0.07 0.00 -0.00 0.00 0.00 43.42 44.30 3hae n LEU 184 CO 0.23 -0.17 0.32 -0.44 -0.00 0.00 0.00 177.39 177.33 3hae s SER 185 N -1.82 -0.90 -0.08 1.45 0.01 -1.26 -1.68 113.70 109.42 3hae s SER 185 Ca 0.09 1.45 -0.11 0.00 1.31 0.00 0.00 55.95 58.69 3hae s SER 185 Cb 0.00 1.32 -0.05 0.00 0.21 0.00 0.00 66.02 67.51 3hae s SER 185 CO 0.07 -0.23 0.25 -0.55 0.41 0.00 0.00 173.24 173.19 3hae s SER 186 N 1.60 6.55 0.02 2.44 0.15 -1.02 -0.88 113.70 122.57 3hae s SER 186 Ca -0.10 0.66 0.05 0.00 0.70 0.00 0.00 55.95 57.26 3hae s SER 186 Cb -0.05 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 3hae s SER 186 CO -0.19 0.35 -0.15 0.54 1.20 0.00 0.00 173.24 174.99 3hae s VAL 187 N -0.92 1.16 -0.05 4.45 0.11 0.10 -0.80 120.40 124.46 3hae s VAL 187 Ca 0.18 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 3hae s VAL 187 Cb -0.14 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 3hae s VAL 187 CO 0.08 0.13 -0.19 0.54 -3.33 0.00 0.00 175.10 172.33 3hae s VAL 188 N -0.66 2.62 -0.18 2.04 0.11 0.73 0.44 120.40 125.49 3hae s VAL 188 Ca 0.03 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 3hae s VAL 188 Cb -0.07 -1.99 0.02 0.00 -1.53 0.00 0.00 36.38 32.81 3hae s VAL 188 CO 0.01 0.58 -0.19 0.28 -3.33 0.00 0.00 175.10 172.45 3hae s THR 189 N -0.50 2.16 0.20 5.04 -1.32 0.77 -2.14 115.64 119.86 3hae s THR 189 Ca 0.06 -0.92 0.06 0.00 -1.21 0.00 0.00 61.69 59.68 3hae s THR 189 Cb -0.11 -1.92 -0.05 0.00 -1.51 0.00 0.00 72.50 68.91 3hae s THR 189 CO 0.01 0.52 -0.10 0.68 -2.21 0.00 0.00 174.62 173.52 3hae s VAL 190 N 1.30 1.48 0.27 5.08 -7.23 -0.49 -4.73 120.40 116.08 3hae s VAL 190 Ca 0.05 -2.14 -0.31 0.00 -1.81 0.00 0.00 61.98 57.78 3hae s VAL 190 Cb -0.13 -2.08 -0.13 0.00 0.56 0.00 0.00 36.38 34.60 3hae s VAL 190 CO -0.12 -0.56 1.49 -0.81 -0.31 0.00 0.00 175.10 174.79 3hae n PRO 191 N -0.36 2.34 -0.27 4.82 -0.04 -1.26 0.14 135.00 140.36 3hae n PRO 191 Ca -0.08 0.83 0.18 0.00 -0.04 0.00 0.00 63.50 64.39 3hae n PRO 191 Cb 0.61 -2.55 0.46 0.00 -0.04 0.00 0.00 33.50 31.99 3hae n PRO 191 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3hae h SER 192 N 4.43 0.51 0.44 3.54 0.02 -1.77 -2.27 113.55 118.45 3hae h SER 192 Ca -0.46 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3hae h SER 192 Cb 1.25 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3hae h SER 192 CO 0.77 0.20 0.00 -1.54 -1.14 0.00 0.00 176.83 175.12 3hae n SER 193 N -4.57 0.00 -0.63 3.07 3.41 -1.26 -2.84 113.62 110.80 3hae n SER 193 Ca 0.20 0.01 0.07 0.00 -0.26 0.00 0.00 58.87 58.89 3hae n SER 193 Cb 0.67 -0.30 0.09 0.00 -0.26 0.00 0.00 64.21 64.40 3hae n SER 193 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hae n SER 194 N -1.30 2.41 0.07 4.04 3.41 -0.85 -4.15 113.62 117.25 3hae n SER 194 Ca 0.10 -1.68 0.10 0.00 -0.26 0.00 0.00 58.87 57.13 3hae n SER 194 Cb 0.18 -0.06 0.56 0.00 -0.26 0.00 0.00 64.21 64.63 3hae n SER 194 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hae h LEU 195 N 2.81 0.22 -2.22 1.04 4.07 -1.59 -0.06 115.31 119.58 3hae h LEU 195 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hae h LEU 195 Cb 0.64 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.34 3hae h LEU 195 CO 0.00 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.12 3hae n GLY 196 N -1.53 1.55 0.00 0.83 0.00 -1.26 -4.54 105.19 100.24 3hae n GLY 196 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3hae n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hae n THR 197 N 1.45 0.00 -3.59 2.61 -2.24 -1.01 -5.09 114.28 106.40 3hae n THR 197 Ca 0.18 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.74 3hae n THR 197 Cb 0.60 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 3hae n THR 197 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hae s GLN 198 N -1.95 3.45 -0.12 -0.78 -1.52 -0.07 -5.09 119.66 113.58 3hae s GLN 198 Ca 0.00 -0.52 -0.01 0.00 -1.95 0.00 0.00 55.36 52.88 3hae s GLN 198 Cb 0.00 -2.75 -0.03 0.00 -0.22 0.00 0.00 33.01 30.01 3hae s GLN 198 CO 0.00 0.24 -0.06 -0.08 -0.25 0.00 0.00 175.29 175.14 3hae s THR 199 N -2.19 3.71 -0.24 -0.19 -1.32 -1.26 -4.84 115.64 109.30 3hae s THR 199 Ca 0.38 -0.45 0.02 0.00 -1.21 0.00 0.00 61.69 60.43 3hae s THR 199 Cb -0.09 -2.57 0.06 0.00 -1.51 0.00 0.00 72.50 68.38 3hae s THR 199 CO 0.33 0.54 -0.08 -0.31 -2.21 0.00 0.00 174.62 172.89 3hae s TYR 200 N -0.12 2.71 -0.08 9.09 2.02 -1.26 -4.97 117.35 124.73 3hae s TYR 200 Ca 0.02 -1.93 0.04 0.00 -0.37 0.00 0.00 57.07 54.83 3hae s TYR 200 Cb -0.13 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 3hae s TYR 200 CO 0.03 -0.81 -0.21 0.42 -1.57 0.00 0.00 175.55 173.41 3hae s ILE 201 N 1.29 2.38 -0.12 2.71 1.01 -1.26 0.78 121.20 127.99 3hae s ILE 201 Ca -0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 3hae s ILE 201 Cb -0.19 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3hae s ILE 201 CO -0.06 0.56 -0.03 0.00 0.00 0.00 0.00 174.94 175.41 3hae s ASN 203 N -0.24 5.45 -0.23 0.00 -0.87 -0.14 -0.22 114.94 118.68 3hae s ASN 203 Ca 0.05 -1.16 -0.09 0.00 -1.57 0.00 0.00 52.86 50.09 3hae s ASN 203 Cb -0.13 -1.92 -0.04 0.00 -0.02 0.00 0.00 41.25 39.14 3hae s ASN 203 CO 0.02 -0.37 0.13 -0.69 -2.57 0.00 0.00 177.10 173.63 3hae s VAL 204 N 1.44 5.08 -0.08 1.60 1.01 0.71 -2.20 120.40 127.97 3hae s VAL 204 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3hae s VAL 204 Cb -0.20 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 3hae s VAL 204 CO 0.04 0.36 -0.23 0.21 0.00 0.00 0.00 175.10 175.47 3hae s ASN 205 N 1.08 2.90 -0.46 3.32 3.84 0.14 -1.47 114.94 124.30 3hae s ASN 205 Ca 0.06 -0.51 0.04 0.00 0.21 0.00 0.00 52.86 52.67 3hae s ASN 205 Cb -0.14 -1.15 0.17 0.00 -0.55 0.00 0.00 41.25 39.58 3hae s ASN 205 CO 0.04 0.17 0.38 1.57 -2.79 0.00 0.00 177.10 176.47 3hae n HIS 206 N 3.37 -0.20 -0.30 0.43 -0.00 -0.71 0.48 115.22 118.29 3hae n HIS 206 Ca -0.19 -3.48 0.13 0.00 -0.00 0.00 0.00 57.72 54.17 3hae n HIS 206 Cb 0.53 0.09 0.29 0.00 -0.00 0.00 0.00 29.99 30.89 3hae n HIS 206 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3hae h LYS 207 N 5.50 0.22 0.00 1.57 6.56 -1.86 0.13 116.57 128.69 3hae h LYS 207 Ca 0.24 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 3hae h LYS 207 Cb 0.88 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 3hae h LYS 207 CO 0.43 0.15 0.00 -0.35 -2.06 0.00 0.00 179.45 177.62 3hae n PRO 208 N -5.20 0.13 -0.07 3.15 -0.04 -1.26 -2.90 135.00 128.81 3hae n PRO 208 Ca 0.21 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.89 3hae n PRO 208 Cb 0.67 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.66 3hae n PRO 208 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hae n SER 209 N -1.36 1.40 -3.40 3.54 3.41 -0.01 -5.00 113.62 112.19 3hae n SER 209 Ca 0.05 -2.01 -0.25 0.00 -0.26 0.00 0.00 58.87 56.40 3hae n SER 209 Cb 0.13 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3hae n SER 209 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hae n ASN 210 N -0.54 -5.22 -4.22 4.04 4.13 -0.92 -4.92 115.26 107.61 3hae n ASN 210 Ca 0.04 -0.47 -0.42 0.00 1.68 0.00 0.00 54.58 55.41 3hae n ASN 210 Cb 0.44 -4.21 -0.05 0.00 -1.54 0.00 0.00 39.78 34.43 3hae n ASN 210 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3hae s THR 211 N -3.16 4.88 -0.20 3.41 2.01 -1.15 -4.99 115.64 116.44 3hae s THR 211 Ca 0.46 -3.00 -0.09 0.00 0.31 0.00 0.00 61.69 59.37 3hae s THR 211 Cb -0.22 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 3hae s THR 211 CO 0.56 -1.02 0.10 -0.75 -0.69 0.00 0.00 174.62 172.83 3hae s LYS 212 N -0.37 4.08 -0.14 4.92 2.20 -1.25 -1.75 119.74 127.43 3hae s LYS 212 Ca 0.21 -0.28 -0.08 0.00 -0.36 0.00 0.00 55.97 55.46 3hae s LYS 212 Cb -0.13 -3.34 0.05 0.00 -1.51 0.00 0.00 37.83 32.90 3hae s LYS 212 CO -0.08 0.26 0.33 0.08 -0.36 0.00 0.00 175.35 175.58 3hae s VAL 213 N 0.45 -0.03 -0.28 4.02 1.01 -0.54 -4.98 120.40 120.05 3hae s VAL 213 Ca 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3hae s VAL 213 Cb -0.12 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3hae s VAL 213 CO -0.00 0.04 0.06 -1.81 0.00 0.00 0.00 175.10 173.38 3hae s ASP 214 N 1.15 4.98 -0.16 3.32 1.01 -1.26 -0.21 116.67 125.51 3hae s ASP 214 Ca -0.08 -0.70 -0.02 0.00 0.71 0.00 0.00 52.55 52.46 3hae s ASP 214 Cb -0.08 -1.85 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 3hae s ASP 214 CO -0.09 -0.17 -0.08 -0.75 0.21 0.00 0.00 175.17 174.29 3hae s LYS 215 N 1.48 3.50 -0.15 8.23 2.47 0.69 -4.90 119.74 131.07 3hae s LYS 215 Ca 0.02 -0.60 -0.26 0.00 -1.56 0.00 0.00 55.97 53.57 3hae s LYS 215 Cb -0.17 -2.82 -0.02 0.00 -1.46 0.00 0.00 37.83 33.37 3hae s LYS 215 CO 0.01 0.15 0.87 0.15 0.16 0.00 0.00 175.35 176.69 3hae s LYS 216 N 0.56 4.34 -0.31 4.03 1.02 -1.26 -0.33 119.74 127.78 3hae s LYS 216 Ca -0.05 1.10 -0.10 0.00 0.02 0.00 0.00 55.97 56.94 3hae s LYS 216 Cb -0.15 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.59 3hae s LYS 216 CO 0.03 -0.30 0.17 0.08 -0.92 0.00 0.00 175.35 174.41 3hae s VAL 217 N 2.02 4.76 -0.01 3.17 1.01 0.23 -4.86 120.40 126.73 3hae s VAL 217 Ca 0.41 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3hae s VAL 217 Cb -0.17 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3hae s VAL 217 CO 0.14 0.07 -0.06 -1.61 0.00 0.00 0.00 175.10 173.64 3hae s GLU 218 N 1.64 0.55 0.01 2.72 2.02 -1.26 -4.19 118.70 120.18 3hae s GLU 218 Ca 0.05 -0.22 -0.35 0.00 0.02 0.00 0.00 54.97 54.47 3hae s GLU 218 Cb -0.17 -0.53 -0.14 0.00 0.10 0.00 0.00 34.13 33.39 3hae s GLU 218 CO 0.07 0.12 1.66 -2.30 0.02 0.00 0.00 175.26 174.83 3hae n PRO 219 N 3.03 1.87 0.00 0.39 -0.02 -1.26 -4.78 135.00 134.22 3hae n PRO 219 Ca -0.14 0.68 0.03 0.00 -2.02 0.00 0.00 63.50 62.04 3hae n PRO 219 Cb 0.57 -2.44 0.16 0.00 -0.02 0.00 0.00 33.50 31.77 3hae n PRO 219 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84