#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hae n SER 2 N 0.00 1.43 -4.94 1.08 3.41 -1.26 -5.23 113.62 108.12 3hae n SER 2 Ca 0.00 -0.49 -0.24 0.00 -0.26 0.00 0.00 58.87 57.87 3hae n SER 2 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3hae n SER 2 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hae s GLU 3 N -0.20 3.17 -0.14 4.33 2.12 -1.26 -5.01 118.70 121.71 3hae s GLU 3 Ca 0.00 -0.27 -0.16 0.00 0.36 0.00 0.00 54.97 54.89 3hae s GLU 3 Cb 0.00 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 3hae s GLU 3 CO 0.00 -0.28 0.39 -0.51 -0.54 0.00 0.00 175.26 174.32 3hae s LEU 4 N -4.63 4.26 -0.00 2.70 1.02 -1.13 -4.98 118.68 115.92 3hae s LEU 4 Ca 0.48 0.67 -0.29 0.00 0.02 0.00 0.00 54.13 55.01 3hae s LEU 4 Cb -0.10 -2.54 -0.03 0.00 0.02 0.00 0.00 46.19 43.54 3hae s LEU 4 CO 0.40 0.05 0.95 -0.89 0.02 0.00 0.00 176.35 176.88 3hae s THR 5 N 0.54 4.88 0.14 5.49 2.01 -0.45 -1.60 115.64 126.64 3hae s THR 5 Ca 0.21 1.99 0.04 0.00 0.31 0.00 0.00 61.69 64.25 3hae s THR 5 Cb -0.14 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 3hae s THR 5 CO 0.07 0.18 -0.10 -1.10 -0.69 0.00 0.00 174.62 172.98 3hae s GLN 6 N 0.95 1.02 0.88 4.92 -0.21 -1.26 -0.69 119.66 125.26 3hae s GLN 6 Ca 0.50 -1.39 -0.11 0.00 0.02 0.00 0.00 55.36 54.38 3hae s GLN 6 Cb -0.21 -0.62 0.12 0.00 1.00 0.00 0.00 33.01 33.31 3hae s GLN 6 CO 0.27 0.08 1.09 -1.25 -2.12 0.00 0.00 175.29 173.36 3hae s PRO 7 N -3.52 1.39 -0.10 2.91 0.04 -1.26 -4.88 135.00 129.58 3hae s PRO 7 Ca 0.14 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 3hae s PRO 7 Cb 0.01 -1.82 -0.28 0.00 0.04 0.00 0.00 34.50 32.44 3hae s PRO 7 CO 0.00 -2.15 0.79 -0.09 0.04 0.00 0.00 177.00 175.60 3hae h ARG 8 N -1.48 0.16 -5.74 4.56 2.43 -1.95 -3.38 114.38 108.97 3hae h ARG 8 Ca -0.49 -0.28 -0.51 0.00 -0.81 0.00 0.00 59.98 57.90 3hae h ARG 8 Cb 1.28 0.10 -0.24 0.00 -0.42 0.00 0.00 29.97 30.69 3hae h ARG 8 CO 0.55 1.13 -0.81 -1.12 -1.51 0.00 0.00 179.97 178.21 3hae s SER 9 N -6.66 2.11 0.41 -3.80 0.01 -1.26 -1.20 113.70 103.31 3hae s SER 9 Ca -0.17 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 56.61 3hae s SER 9 Cb -0.00 -0.14 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 3hae s SER 9 CO 0.76 0.07 0.01 0.68 0.41 0.00 0.00 173.24 175.17 3hae s VAL 10 N -0.95 1.96 0.21 3.43 -7.23 -0.58 -4.89 120.40 112.36 3hae s VAL 10 Ca 0.04 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 3hae s VAL 10 Cb -0.09 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 3hae s VAL 10 CO 0.02 0.00 0.32 -0.94 -0.31 0.00 0.00 175.10 174.20 3hae s SER 11 N -3.72 0.02 -0.29 4.85 1.04 -1.26 -3.00 113.70 111.33 3hae s SER 11 Ca 0.34 -1.04 -0.27 0.00 0.48 0.00 0.00 55.95 55.45 3hae s SER 11 Cb 0.10 0.48 0.19 0.00 0.10 0.00 0.00 66.02 66.89 3hae s SER 11 CO 0.17 -0.99 1.41 -0.83 0.98 0.00 0.00 173.24 173.99 3hae s GLY 12 N -3.04 0.22 0.82 7.32 0.00 -0.86 -4.89 107.32 106.88 3hae s GLY 12 Ca 0.26 3.17 -0.11 0.00 0.00 0.00 0.00 44.72 48.04 3hae s GLY 12 CO 0.07 1.49 1.13 -0.56 0.00 0.00 0.00 173.10 175.23 3hae s SER 13 N -0.55 3.80 0.29 1.64 0.01 -1.26 -1.44 113.70 116.18 3hae s SER 13 Ca 0.08 2.05 -0.29 0.00 1.31 0.00 0.00 55.95 59.11 3hae s SER 13 Cb -0.03 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 3hae s SER 13 CO -0.12 -2.51 1.05 -2.16 0.41 0.00 0.00 173.24 169.91 3hae s PRO 14 N -4.64 4.63 0.00 12.44 0.04 -1.26 -2.46 135.00 143.74 3hae s PRO 14 Ca 0.65 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3hae s PRO 14 Cb -0.21 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3hae s PRO 14 CO 0.55 0.25 0.00 0.41 0.04 0.00 0.00 177.00 178.25 3hae n GLY 15 N 1.13 2.65 0.67 0.56 0.00 0.91 -4.88 105.19 106.23 3hae n GLY 15 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3hae n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hae n GLN 16 N -2.00 0.22 -4.15 1.61 6.02 -1.03 -3.67 117.38 114.38 3hae n GLN 16 Ca 0.00 -0.43 -0.16 0.00 -0.01 0.00 0.00 57.00 56.41 3hae n GLN 16 Cb 0.00 -0.16 -0.12 0.00 1.02 0.00 0.00 30.24 30.97 3hae n GLN 16 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hae s SER 17 N -1.76 1.06 -0.01 1.08 0.15 -1.26 -0.85 113.70 112.10 3hae s SER 17 Ca 0.12 -0.45 -0.04 0.00 0.70 0.00 0.00 55.95 56.29 3hae s SER 17 Cb -0.01 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 3hae s SER 17 CO 0.08 -0.09 0.08 0.68 1.20 0.00 0.00 173.24 175.19 3hae s VAL 18 N -1.02 0.04 -0.00 4.45 -7.23 0.07 -4.96 120.40 111.75 3hae s VAL 18 Ca -0.05 -0.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.83 3hae s VAL 18 Cb -0.08 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 3hae s VAL 18 CO 0.01 -0.20 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.45 3hae s THR 19 N -0.64 1.97 -0.26 5.32 2.01 -1.26 -0.90 115.64 121.88 3hae s THR 19 Ca -0.07 -1.13 0.02 0.00 0.31 0.00 0.00 61.69 60.82 3hae s THR 19 Cb -0.04 -1.65 0.06 0.00 0.01 0.00 0.00 72.50 70.87 3hae s THR 19 CO 0.00 0.49 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.69 3hae s ILE 20 N -0.64 2.24 0.63 1.82 1.01 0.11 -4.97 121.20 121.40 3hae s ILE 20 Ca 0.10 -1.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.05 3hae s ILE 20 Cb -0.10 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 3hae s ILE 20 CO -0.00 0.00 1.05 -0.94 0.00 0.00 0.00 174.94 175.05 3hae s SER 21 N 1.13 5.76 -0.31 3.58 1.04 -1.26 -1.25 113.70 122.38 3hae s SER 21 Ca -0.08 1.65 0.01 0.00 0.48 0.00 0.00 55.95 58.01 3hae s SER 21 Cb -0.19 -2.50 0.15 0.00 0.10 0.00 0.00 66.02 63.57 3hae s SER 21 CO -0.05 -1.19 0.35 0.00 0.98 0.00 0.00 173.24 173.34 3hae s THR 23 N 2.15 3.82 0.00 0.00 -4.23 0.14 -0.75 115.64 116.76 3hae s THR 23 Ca 0.12 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 3hae s THR 23 Cb -0.14 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.13 3hae s THR 23 CO -0.24 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 3hae n GLY 24 N 2.16 3.89 2.13 3.99 0.00 -0.74 -1.34 105.19 115.28 3hae n GLY 24 Ca -0.18 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 3hae n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hae n THR 25 N 0.00 0.00 1.42 2.61 -2.24 -1.26 -4.82 114.28 109.98 3hae n THR 25 Ca 0.00 -1.54 0.14 0.00 -2.27 0.00 0.00 64.05 60.38 3hae n THR 25 Cb 0.00 0.62 0.73 0.00 -2.10 0.00 0.00 70.33 69.58 3hae n THR 25 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hae n SER 26 N -1.85 0.00 -0.01 3.42 3.41 -1.26 0.59 113.62 117.92 3hae n SER 26 Ca -0.01 -0.30 0.11 0.00 -0.26 0.00 0.00 58.87 58.41 3hae n SER 26 Cb 0.39 -0.21 -0.17 0.00 -0.26 0.00 0.00 64.21 63.96 3hae n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hae n ARG 27 N -1.21 0.66 0.00 4.33 1.74 -1.26 -1.46 116.66 119.46 3hae n ARG 27 Ca 0.15 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3hae n ARG 27 Cb 0.19 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3hae n ARG 27 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hae n ASP 28 N -2.26 0.00 -0.30 0.55 5.68 -1.15 -4.42 116.55 114.65 3hae n ASP 28 Ca -0.04 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.38 3hae n ASP 28 Cb 0.57 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.83 3hae n ASP 28 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3hae h VAL 29 N 0.00 0.28 0.00 2.12 2.07 -1.74 -0.89 116.25 118.09 3hae h VAL 29 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hae h VAL 29 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3hae h VAL 29 CO 0.00 0.03 -0.86 0.61 0.02 0.00 0.00 177.57 177.37 3hae n GLY 30 N -1.39 -1.26 0.11 2.17 0.00 0.20 -3.90 105.19 101.12 3hae n GLY 30 Ca 0.21 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 3hae n GLY 30 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hae h GLY 31 N 4.61 0.32 -1.82 -0.02 0.00 -0.01 -3.46 103.07 102.70 3hae h GLY 31 Ca 0.00 -0.78 -0.46 0.00 0.00 0.00 0.00 47.33 46.09 3hae h GLY 31 CO 0.00 0.68 -0.53 -0.19 0.00 0.00 0.00 176.54 176.50 3hae s TYR 32 N -2.74 1.68 -0.34 5.60 2.02 -1.00 -4.99 117.35 117.57 3hae s TYR 32 Ca -0.04 -1.41 0.07 0.00 -0.37 0.00 0.00 57.07 55.32 3hae s TYR 32 Cb 0.07 -0.90 0.45 0.00 -0.40 0.00 0.00 41.96 41.18 3hae s TYR 32 CO 0.88 -0.54 1.16 0.09 -1.57 0.00 0.00 175.55 175.57 3hae n ASN 33 N -1.15 4.72 -2.55 2.29 3.02 -1.26 -4.75 115.26 115.57 3hae n ASN 33 Ca 0.01 -3.68 -0.28 0.00 -0.03 0.00 0.00 54.58 50.59 3hae n ASN 33 Cb 0.64 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3hae n ASN 33 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hae n TYR 34 N -0.61 3.41 -3.42 3.10 4.01 -1.26 -4.25 117.16 118.14 3hae n TYR 34 Ca 0.41 -3.09 -0.38 0.00 -0.16 0.00 0.00 57.90 54.68 3hae n TYR 34 Cb 0.85 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 39.61 3hae n TYR 34 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hae s VAL 35 N -5.44 4.92 0.13 -0.72 1.01 -1.26 -2.94 120.40 116.10 3hae s VAL 35 Ca 0.48 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.48 3hae s VAL 35 Cb 0.40 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3hae s VAL 35 CO -0.21 0.56 -0.11 -0.44 0.00 0.00 0.00 175.10 174.90 3hae s SER 36 N -1.11 1.70 -0.03 3.32 0.01 -0.63 0.03 113.70 116.99 3hae s SER 36 Ca 0.26 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.64 3hae s SER 36 Cb -0.18 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.04 3hae s SER 36 CO 0.16 -0.28 -0.11 0.26 0.41 0.00 0.00 173.24 173.68 3hae s TRP 37 N -2.85 1.14 0.13 2.43 0.52 -0.31 -1.20 118.94 118.80 3hae s TRP 37 Ca 0.12 -0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.02 3hae s TRP 37 Cb -0.00 -0.80 -0.04 0.00 -1.15 0.00 0.00 33.47 31.47 3hae s TRP 37 CO 0.01 -0.12 -0.13 0.71 0.02 0.00 0.00 176.95 177.44 3hae s TYR 38 N 0.17 2.64 -0.16 -1.98 2.02 0.37 -0.44 117.35 119.97 3hae s TYR 38 Ca -0.03 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 3hae s TYR 38 Cb -0.09 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 3hae s TYR 38 CO 0.01 0.43 -0.19 -1.14 -1.57 0.00 0.00 175.55 173.09 3hae s GLN 39 N -2.33 3.09 -0.10 -0.62 0.74 0.23 -1.09 119.66 119.58 3hae s GLN 39 Ca 0.21 -0.81 0.03 0.00 0.05 0.00 0.00 55.36 54.84 3hae s GLN 39 Cb -0.10 -2.55 0.01 0.00 1.10 0.00 0.00 33.01 31.47 3hae s GLN 39 CO 0.13 -0.06 -0.17 -1.14 -0.55 0.00 0.00 175.29 173.50 3hae s GLN 40 N 0.95 2.34 0.10 1.67 0.74 -0.25 -0.51 119.66 124.70 3hae s GLN 40 Ca -0.03 -0.62 -0.07 0.00 0.05 0.00 0.00 55.36 54.68 3hae s GLN 40 Cb -0.15 -1.89 -0.06 0.00 1.10 0.00 0.00 33.01 32.02 3hae s GLN 40 CO -0.04 0.03 0.38 -1.01 -0.55 0.00 0.00 175.29 174.10 3hae s HIS 41 N 0.71 3.53 0.16 1.67 3.76 -1.26 -0.33 115.29 123.53 3hae s HIS 41 Ca -0.12 0.67 -0.32 0.00 -0.15 0.00 0.00 55.06 55.14 3hae s HIS 41 Cb -0.16 -2.08 -0.11 0.00 1.11 0.00 0.00 32.58 31.34 3hae s HIS 41 CO 0.03 0.49 1.69 -1.25 -0.85 0.00 0.00 174.74 174.85 3hae s PRO 42 N -2.23 4.16 0.00 8.40 0.04 -1.26 -0.56 135.00 143.54 3hae s PRO 42 Ca 0.36 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.91 3hae s PRO 42 Cb -0.13 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3hae s PRO 42 CO 0.21 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.93 3hae n GLY 43 N 3.97 2.23 3.91 0.56 0.00 -1.26 -4.86 105.19 109.74 3hae n GLY 43 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3hae n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hae s LYS 44 N -0.53 3.29 0.86 1.61 1.02 0.27 -5.10 119.74 121.16 3hae s LYS 44 Ca 0.00 -0.71 -0.14 0.00 0.02 0.00 0.00 55.97 55.14 3hae s LYS 44 Cb 0.00 -2.86 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3hae s LYS 44 CO 0.00 0.49 0.40 0.00 -0.92 0.00 0.00 175.35 175.32 3hae n ALA 45 N -0.66 -2.30 -1.33 5.17 0.00 -1.26 -4.54 120.51 115.60 3hae n ALA 45 Ca -0.08 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 3hae n ALA 45 Cb 0.55 -1.79 0.22 0.00 0.00 0.00 0.00 19.45 18.43 3hae n ALA 45 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hae s PRO 46 N -3.19 -0.54 -0.03 0.00 0.02 -1.26 -4.51 135.00 125.48 3hae s PRO 46 Ca 0.60 -0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.51 3hae s PRO 46 Cb -0.27 -1.68 0.03 0.00 0.02 0.00 0.00 34.50 32.60 3hae s PRO 46 CO 0.64 -3.25 -0.00 0.21 -0.33 0.00 0.00 177.00 174.27 3hae s LYS 47 N -5.50 0.38 -0.11 5.54 2.20 0.33 -4.96 119.74 117.63 3hae s LYS 47 Ca 0.71 0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 56.09 3hae s LYS 47 Cb -0.09 -0.57 -0.05 0.00 -1.51 0.00 0.00 37.83 35.61 3hae s LYS 47 CO 0.55 -0.14 1.80 -1.17 -0.36 0.00 0.00 175.35 176.03 3hae s LEU 48 N 1.10 4.08 -0.02 5.43 2.96 -1.26 -0.60 118.68 130.37 3hae s LEU 48 Ca -0.09 2.09 0.19 0.00 -0.22 0.00 0.00 54.13 56.11 3hae s LEU 48 Cb -0.14 -3.53 -0.28 0.00 0.50 0.00 0.00 46.19 42.75 3hae s LEU 48 CO -0.02 -1.22 0.51 2.30 -1.32 0.00 0.00 176.35 176.61 3hae n ILE 49 N 6.13 0.00 -3.75 6.68 -5.35 0.42 -4.74 119.36 118.75 3hae n ILE 49 Ca 0.20 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 3hae n ILE 49 Cb 0.43 0.29 -0.09 0.00 -1.74 0.00 0.00 39.64 38.53 3hae n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hae s ILE 50 N -3.20 0.03 0.12 7.28 -1.09 -0.87 -4.12 121.20 119.36 3hae s ILE 50 Ca -0.04 -0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 57.99 3hae s ILE 50 Cb 0.13 -0.58 0.03 0.00 -1.58 0.00 0.00 42.46 40.46 3hae s ILE 50 CO 0.80 -0.13 0.37 -1.38 -1.23 0.00 0.00 174.94 173.37 3hae s HIS 51 N -0.62 -0.13 -1.51 3.97 -3.43 -0.48 -1.16 115.29 111.92 3hae s HIS 51 Ca -0.07 -0.21 -0.02 0.00 -0.80 0.00 0.00 55.06 53.96 3hae s HIS 51 Cb -0.04 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 3hae s HIS 51 CO 0.03 -0.69 0.09 -0.25 -2.00 0.00 0.00 174.74 171.92 3hae n ASP 52 N -0.21 0.52 0.00 7.38 8.00 -0.84 -1.75 116.55 129.64 3hae n ASP 52 Ca -0.15 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.10 3hae n ASP 52 Cb 0.63 -1.77 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 3hae n ASP 52 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hae n VAL 53 N -4.59 0.00 0.41 2.53 0.31 0.11 -3.96 118.33 113.13 3hae n VAL 53 Ca -0.32 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.12 3hae n VAL 53 Cb 0.69 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.50 3hae n VAL 53 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3hae n ILE 54 N 0.00 0.05 -3.50 2.52 -5.35 -1.25 -3.99 119.36 107.85 3hae n ILE 54 Ca 0.00 -0.30 -0.40 0.00 -0.27 0.00 0.00 62.75 61.78 3hae n ILE 54 Cb 0.00 0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 38.14 3hae n ILE 54 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hae s ILE 55 N -3.29 5.25 0.19 7.28 -1.09 -0.72 -4.28 121.20 124.53 3hae s ILE 55 Ca -0.01 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 3hae s ILE 55 Cb 0.15 -3.69 -0.08 0.00 -1.58 0.00 0.00 42.46 37.26 3hae s ILE 55 CO 0.88 0.06 1.09 -0.13 -1.23 0.00 0.00 174.94 175.61 3hae s ARG 56 N 1.85 4.60 1.11 2.79 0.52 -1.26 -1.38 118.95 127.18 3hae s ARG 56 Ca 0.09 1.72 -0.18 0.00 -0.52 0.00 0.00 55.73 56.84 3hae s ARG 56 Cb -0.17 -3.27 0.25 0.00 0.52 0.00 0.00 34.95 32.28 3hae s ARG 56 CO 0.11 0.10 1.17 -1.25 0.02 0.00 0.00 175.30 175.45 3hae s PRO 57 N -0.46 -0.51 -0.02 3.54 0.04 -1.26 -4.89 135.00 131.44 3hae s PRO 57 Ca 0.49 -0.13 -0.39 0.00 0.04 0.00 0.00 61.00 61.01 3hae s PRO 57 Cb -0.29 -1.68 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 3hae s PRO 57 CO 0.35 -3.23 1.35 0.45 0.04 0.00 0.00 177.00 175.96 3hae n SER 58 N -4.41 1.34 0.00 6.66 2.88 -1.26 -2.30 113.62 116.53 3hae n SER 58 Ca 0.13 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 3hae n SER 58 Cb 0.59 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 3hae n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hae n GLY 59 N 2.60 1.60 3.67 0.46 0.00 -1.26 -5.02 105.19 107.23 3hae n GLY 59 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3hae n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 60 N -3.25 4.99 0.20 1.61 1.01 -0.97 -5.01 120.40 118.97 3hae s VAL 60 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 3hae s VAL 60 Cb 0.00 -4.00 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 3hae s VAL 60 CO 0.00 0.10 0.69 -2.65 0.00 0.00 0.00 175.10 173.25 3hae n PRO 61 N 4.98 0.31 -0.39 2.72 -0.01 -1.26 -4.88 135.00 136.47 3hae n PRO 61 Ca 0.00 0.11 0.03 0.00 -0.01 0.00 0.00 63.50 63.63 3hae n PRO 61 Cb 0.50 -1.25 0.18 0.00 -0.01 0.00 0.00 33.50 32.92 3hae n PRO 61 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 3hae n ASP 62 N 1.81 3.07 0.15 2.55 3.85 -1.26 -2.98 116.55 123.74 3hae n ASP 62 Ca 0.16 -2.40 0.12 0.00 -0.71 0.00 0.00 54.79 51.97 3hae n ASP 62 Cb 0.25 -0.56 0.27 0.00 -1.35 0.00 0.00 41.12 39.72 3hae n ASP 62 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 3hae h ARG 63 N 1.82 0.00 -5.97 0.11 0.11 -1.91 -3.45 114.38 105.10 3hae h ARG 63 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 3hae h ARG 63 Cb 1.13 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.14 3hae h ARG 63 CO 0.21 0.00 0.47 -0.06 0.10 0.00 0.00 179.97 180.69 3hae s PHE 64 N -3.17 3.40 0.08 4.08 0.08 -1.16 -2.63 117.98 118.67 3hae s PHE 64 Ca 0.08 1.30 0.02 0.00 0.12 0.00 0.00 56.93 58.45 3hae s PHE 64 Cb 0.09 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 3hae s PHE 64 CO 0.65 -0.29 -0.07 -1.54 -0.10 0.00 0.00 175.22 173.86 3hae s SER 65 N 1.18 1.10 0.01 1.36 1.04 -0.21 -4.87 113.70 113.32 3hae s SER 65 Ca 0.39 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 56.00 3hae s SER 65 Cb -0.16 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 3hae s SER 65 CO 0.11 -0.37 -0.11 -0.83 0.98 0.00 0.00 173.24 173.02 3hae s GLY 66 N -2.59 0.60 0.00 7.32 0.00 -1.26 0.44 107.32 111.84 3hae s GLY 66 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3hae s GLY 66 CO -0.03 -0.56 0.00 -1.14 0.00 0.00 0.00 173.10 171.38 3hae n SER 67 N 2.39 0.66 -3.65 1.64 3.41 0.54 -4.10 113.62 114.51 3hae n SER 67 Ca -0.16 -0.65 -0.02 0.00 -0.26 0.00 0.00 58.87 57.78 3hae n SER 67 Cb 0.56 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 3hae n SER 67 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hae s LYS 68 N -0.94 0.30 -0.07 4.33 2.20 -1.26 -0.80 119.74 123.49 3hae s LYS 68 Ca 0.00 0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 56.08 3hae s LYS 68 Cb 0.00 0.07 0.04 0.00 -1.51 0.00 0.00 37.83 36.44 3hae s LYS 68 CO 0.00 -0.06 0.14 0.45 -0.36 0.00 0.00 175.35 175.52 3hae s SER 69 N 1.10 0.72 1.10 1.43 0.15 -0.59 -4.96 113.70 112.66 3hae s SER 69 Ca -0.07 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.86 3hae s SER 69 Cb -0.04 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 3hae s SER 69 CO -0.13 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3hae n GLY 70 N 5.19 2.25 0.01 9.45 0.00 -1.26 -3.01 105.19 117.82 3hae n GLY 70 Ca -0.07 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.63 3hae n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hae n ASN 71 N 3.69 0.31 -4.63 1.61 5.03 -1.26 -4.36 115.26 115.65 3hae n ASN 71 Ca 0.00 0.01 -0.38 0.00 0.87 0.00 0.00 54.58 55.08 3hae n ASN 71 Cb 0.00 -0.08 -0.09 0.00 -1.02 0.00 0.00 39.78 38.60 3hae n ASN 71 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hae s THR 72 N -2.95 5.22 0.41 3.41 2.01 -1.16 -1.79 115.64 120.78 3hae s THR 72 Ca 0.14 0.51 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 3hae s THR 72 Cb 0.18 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3hae s THR 72 CO 0.61 0.22 0.65 0.00 -0.69 0.00 0.00 174.62 175.41 3hae s ALA 73 N 1.66 3.61 -0.04 7.40 0.00 0.07 -1.54 121.76 132.91 3hae s ALA 73 Ca 0.14 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 3hae s ALA 73 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.71 3hae s ALA 73 CO 0.09 -0.19 0.13 -1.12 0.00 0.00 0.00 175.76 174.66 3hae s SER 74 N -4.09 -0.09 -0.22 0.00 0.01 0.02 0.60 113.70 109.93 3hae s SER 74 Ca 0.44 0.15 -0.09 0.00 1.31 0.00 0.00 55.95 57.75 3hae s SER 74 Cb -0.10 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.34 3hae s SER 74 CO 0.39 -0.12 0.12 -0.22 0.41 0.00 0.00 173.24 173.82 3hae s LEU 75 N -0.26 3.97 -0.13 2.44 2.96 -0.38 -0.34 118.68 126.93 3hae s LEU 75 Ca -0.03 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 3hae s LEU 75 Cb -0.03 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3hae s LEU 75 CO 0.00 0.11 0.09 -0.89 -1.32 0.00 0.00 176.35 174.34 3hae s THR 76 N 0.79 5.05 -0.15 3.68 2.01 0.17 0.08 115.64 127.26 3hae s THR 76 Ca 0.06 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.11 3hae s THR 76 Cb -0.13 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.19 3hae s THR 76 CO 0.02 0.56 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.71 3hae s ILE 77 N -0.53 1.76 0.21 1.82 1.01 -0.08 -1.04 121.20 124.34 3hae s ILE 77 Ca 0.11 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.02 3hae s ILE 77 Cb -0.12 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 3hae s ILE 77 CO 0.02 0.49 0.02 -0.94 0.00 0.00 0.00 174.94 174.53 3hae s SER 78 N 1.29 1.43 -1.18 3.58 1.04 -1.08 -0.75 113.70 118.02 3hae s SER 78 Ca 0.02 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.19 3hae s SER 78 Cb -0.13 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.08 3hae s SER 78 CO -0.09 -0.58 0.53 0.61 0.98 0.00 0.00 173.24 174.70 3hae n GLY 79 N -0.34 -0.24 3.68 7.32 0.00 -0.82 -4.71 105.19 110.08 3hae n GLY 79 Ca -0.05 -0.06 -0.63 0.00 0.00 0.00 0.00 46.02 45.28 3hae n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hae n LEU 80 N -3.29 1.57 -4.92 0.99 7.94 -0.03 -4.36 117.00 114.90 3hae n LEU 80 Ca -0.08 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.61 3hae n LEU 80 Cb 0.59 -0.98 -0.04 0.00 0.53 0.00 0.00 43.42 43.52 3hae n LEU 80 CO 0.38 -0.70 -0.11 -1.10 -1.11 0.00 0.00 177.39 174.76 3hae s GLN 81 N 3.58 3.46 0.63 1.96 -0.21 -1.26 -0.07 119.66 127.76 3hae s GLN 81 Ca 1.05 -0.44 0.28 0.00 0.02 0.00 0.00 55.36 56.26 3hae s GLN 81 Cb -1.34 -2.99 1.50 0.00 1.00 0.00 0.00 33.01 31.18 3hae s GLN 81 CO 0.74 0.56 1.84 0.00 -2.12 0.00 0.00 175.29 176.31 3hae h ALA 82 N 2.76 1.34 -0.01 6.09 0.00 -1.97 -0.57 119.26 126.90 3hae h ALA 82 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hae h ALA 82 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hae h ALA 82 CO 0.73 -0.34 -0.04 -0.85 0.00 0.00 0.00 179.25 178.76 3hae n GLU 83 N -2.80 1.44 0.00 0.00 0.28 -1.26 -2.89 120.64 115.41 3hae n GLU 83 Ca -0.02 -0.76 0.13 0.00 -0.16 0.00 0.00 57.16 56.35 3hae n GLU 83 Cb 0.39 -1.48 0.60 0.00 1.43 0.00 0.00 31.44 32.37 3hae n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hae n ASP 84 N -0.11 0.00 -4.61 -1.84 8.00 -0.22 -4.67 116.55 113.10 3hae n ASP 84 Ca 0.18 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.61 3hae n ASP 84 Cb 0.32 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 3hae n ASP 84 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hae n GLU 85 N -1.45 2.13 -3.84 -1.24 1.02 -1.14 -4.83 120.64 111.30 3hae n GLU 85 Ca 0.08 0.64 -0.04 0.00 -0.02 0.00 0.00 57.16 57.82 3hae n GLU 85 Cb 0.29 -3.14 0.01 0.00 -0.02 0.00 0.00 31.44 28.58 3hae n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hae s ALA 86 N 7.34 -1.42 0.03 0.62 0.00 -1.24 -4.88 121.76 122.21 3hae s ALA 86 Ca 0.99 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 3hae s ALA 86 Cb -0.39 0.72 -0.06 0.00 0.00 0.00 0.00 23.12 23.39 3hae s ALA 86 CO 0.38 -1.04 0.42 -1.01 0.00 0.00 0.00 175.76 174.51 3hae s HIS 87 N -2.52 3.70 -0.19 0.00 3.76 0.55 -1.65 115.29 118.94 3hae s HIS 87 Ca 0.18 0.98 0.01 0.00 -0.15 0.00 0.00 55.06 56.08 3hae s HIS 87 Cb -0.03 -2.28 0.03 0.00 1.11 0.00 0.00 32.58 31.40 3hae s HIS 87 CO 0.06 0.61 -0.18 0.71 -0.85 0.00 0.00 174.74 175.08 3hae s TYR 88 N -1.16 2.87 -0.10 1.40 2.02 0.29 -1.09 117.35 121.58 3hae s TYR 88 Ca 0.26 -1.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.20 3hae s TYR 88 Cb -0.16 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 3hae s TYR 88 CO 0.15 -0.82 -0.12 0.71 -1.57 0.00 0.00 175.55 173.90 3hae s TYR 89 N 1.26 2.80 0.71 2.71 2.02 -0.25 -1.38 117.35 125.21 3hae s TYR 89 Ca 0.02 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 3hae s TYR 89 Cb -0.14 -1.76 0.13 0.00 -0.40 0.00 0.00 41.96 39.78 3hae s TYR 89 CO -0.12 0.00 0.98 0.00 -1.57 0.00 0.00 175.55 174.84 3hae s TRP 91 N -3.09 -0.53 0.04 0.00 -0.00 -0.34 0.67 118.94 115.69 3hae s TRP 91 Ca 0.66 1.06 -0.03 0.00 -0.00 0.00 0.00 56.10 57.79 3hae s TRP 91 Cb -0.05 0.40 -0.02 0.00 -0.00 0.00 0.00 33.47 33.79 3hae s TRP 91 CO 0.44 -0.40 0.04 0.45 -0.00 0.00 0.00 176.95 177.47 3hae s SER 92 N -0.66 0.29 0.70 5.86 0.15 -0.28 -1.61 113.70 118.16 3hae s SER 92 Ca -0.03 -0.69 -0.14 0.00 0.70 0.00 0.00 55.95 55.79 3hae s SER 92 Cb -0.02 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.52 3hae s SER 92 CO 0.02 -0.52 1.14 0.12 1.20 0.00 0.00 173.24 175.20 3hae s PHE 93 N -2.92 2.41 0.00 3.44 5.36 -1.15 -1.87 117.98 123.24 3hae s PHE 93 Ca -0.02 1.58 0.07 0.00 -0.96 0.00 0.00 56.93 57.60 3hae s PHE 93 Cb 0.01 -3.25 0.12 0.00 -0.34 0.00 0.00 43.02 39.55 3hae s PHE 93 CO -0.06 -2.01 0.93 0.00 -1.46 0.00 0.00 175.22 172.62 3hae n ALA 94 N -2.71 2.42 0.00 11.12 0.00 0.01 -4.41 120.51 126.94 3hae n ALA 94 Ca 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3hae n ALA 94 Cb 0.52 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3hae n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hae n GLY 95 N 0.13 2.63 0.32 0.00 0.00 -1.26 -4.34 105.19 102.68 3hae n GLY 95 Ca -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.42 3hae n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hae n SER 96 N 2.64 0.86 0.00 1.61 3.41 -1.26 -5.07 113.62 115.81 3hae n SER 96 Ca 0.00 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 3hae n SER 96 Cb 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3hae n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hae n TYR 97 N -0.51 0.00 -4.34 7.33 0.18 -1.26 -5.16 117.16 113.39 3hae n TYR 97 Ca 0.06 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.65 3hae n TYR 97 Cb 0.66 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.49 3hae n TYR 97 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3hae s TYR 98 N -2.00 1.06 0.04 -3.48 2.02 -1.26 -0.81 117.35 112.92 3hae s TYR 98 Ca 0.00 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3hae s TYR 98 Cb 0.00 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 3hae s TYR 98 CO 0.00 0.01 -0.05 0.54 -1.57 0.00 0.00 175.55 174.48 3hae s VAL 99 N -0.71 0.34 0.28 0.71 0.11 -0.78 -4.97 120.40 115.37 3hae s VAL 99 Ca 0.01 -1.23 -0.02 0.00 -2.93 0.00 0.00 61.98 57.80 3hae s VAL 99 Cb -0.07 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 3hae s VAL 99 CO 0.01 -0.59 0.50 -0.36 -3.33 0.00 0.00 175.10 171.33 3hae s PHE 100 N -2.09 3.49 0.75 1.54 0.08 -1.26 -1.12 117.98 119.36 3hae s PHE 100 Ca -0.07 0.46 -0.12 0.00 0.12 0.00 0.00 56.93 57.32 3hae s PHE 100 Cb -0.05 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.48 3hae s PHE 100 CO -0.02 0.23 1.11 0.20 -0.10 0.00 0.00 175.22 176.64 3hae s GLY 101 N -3.40 1.90 0.36 4.36 0.00 0.21 -2.85 107.32 107.90 3hae s GLY 101 Ca 0.41 0.45 0.25 0.00 0.00 0.00 0.00 44.72 45.83 3hae s GLY 101 CO 0.31 0.81 1.75 -0.91 0.00 0.00 0.00 173.10 175.06 3hae h THR 102 N -0.74 0.00 0.00 0.90 1.35 -1.63 -3.44 112.91 109.35 3hae h THR 102 Ca -0.45 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3hae h THR 102 Cb 1.25 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3hae h THR 102 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3hae n GLY 103 N -1.12 -0.70 3.11 5.82 0.00 -1.26 -5.02 105.19 106.02 3hae n GLY 103 Ca -0.01 -1.51 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 3hae n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hae s THR 104 N -3.14 0.96 -0.21 2.61 2.01 -0.48 -4.70 115.64 112.70 3hae s THR 104 Ca 0.00 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 3hae s THR 104 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 3hae s THR 104 CO 0.00 0.02 0.11 -0.62 -0.69 0.00 0.00 174.62 173.44 3hae s ASP 105 N -0.94 5.94 -0.14 3.53 3.68 -0.34 0.10 116.67 128.50 3hae s ASP 105 Ca 0.01 0.13 -0.04 0.00 2.13 0.00 0.00 52.55 54.77 3hae s ASP 105 Cb -0.07 -2.04 -0.03 0.00 -1.45 0.00 0.00 42.92 39.32 3hae s ASP 105 CO 0.01 0.14 0.01 -0.69 0.13 0.00 0.00 175.17 174.77 3hae s VAL 106 N 0.60 4.36 -0.06 1.11 1.01 -0.66 -1.52 120.40 125.25 3hae s VAL 106 Ca 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3hae s VAL 106 Cb -0.12 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3hae s VAL 106 CO 0.01 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.59 3hae s THR 107 N -0.09 1.31 -0.12 3.92 2.01 -1.16 -3.72 115.64 117.78 3hae s THR 107 Ca 0.04 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 3hae s THR 107 Cb -0.13 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 3hae s THR 107 CO 0.02 0.39 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.63 3hae s VAL 108 N 0.33 4.11 0.63 3.82 1.01 -1.26 -2.04 120.40 127.00 3hae s VAL 108 Ca -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3hae s VAL 108 Cb -0.14 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.54 3hae s VAL 108 CO 0.03 0.54 0.89 -0.76 0.00 0.00 0.00 175.10 175.80 3hae s LEU 109 N -0.21 3.08 -0.92 3.92 1.43 -0.52 -4.37 118.68 121.09 3hae s LEU 109 Ca 0.05 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3hae s LEU 109 Cb -0.13 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3hae s LEU 109 CO 0.02 -1.40 0.04 0.61 0.23 0.00 0.00 176.35 175.86 3hae n GLY 110 N -2.61 -0.12 3.78 -3.19 0.00 -1.26 -4.52 105.19 97.27 3hae n GLY 110 Ca 0.09 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3hae n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hae s GLN 111 N -5.76 4.17 -0.28 1.61 -0.21 -1.26 -4.97 119.66 112.96 3hae s GLN 111 Ca 0.03 1.49 -0.41 0.00 0.02 0.00 0.00 55.36 56.49 3hae s GLN 111 Cb -0.02 -2.53 -0.17 0.00 1.00 0.00 0.00 33.01 31.29 3hae s GLN 111 CO 0.61 -0.13 1.65 -2.30 -2.12 0.00 0.00 175.29 172.99 3hae n PRO 112 N -0.09 0.86 -1.62 2.91 -0.02 -1.26 -4.93 135.00 130.85 3hae n PRO 112 Ca 0.05 0.31 -0.49 0.00 -2.02 0.00 0.00 63.50 61.35 3hae n PRO 112 Cb 0.50 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 3hae n PRO 112 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hae n LYS 113 N 4.66 1.56 -3.80 -0.52 4.81 -1.26 -4.86 118.16 118.75 3hae n LYS 113 Ca 0.26 0.56 -0.19 0.00 -0.87 0.00 0.00 58.31 58.07 3hae n LYS 113 Cb 0.09 -2.23 -0.17 0.00 0.02 0.00 0.00 35.03 32.75 3hae n LYS 113 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hae s ALA 114 N 0.48 0.34 0.09 3.14 0.00 -1.01 -4.98 121.76 119.83 3hae s ALA 114 Ca 0.80 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 3hae s ALA 114 Cb -0.82 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 3hae s ALA 114 CO 0.45 -0.29 1.13 -0.80 0.00 0.00 0.00 175.76 176.25 3hae s ASN 115 N 1.58 7.19 0.27 0.00 0.02 -1.26 -1.08 114.94 121.66 3hae s ASN 115 Ca -0.02 1.99 -0.30 0.00 -1.02 0.00 0.00 52.86 53.50 3hae s ASN 115 Cb -0.13 -2.59 -0.11 0.00 0.02 0.00 0.00 41.25 38.45 3hae s ASN 115 CO -0.03 -0.35 1.56 -2.16 0.02 0.00 0.00 177.10 176.14 3hae s PRO 116 N 0.56 4.17 -0.18 -0.60 0.04 -1.26 -4.50 135.00 133.23 3hae s PRO 116 Ca 0.54 2.49 -0.05 0.00 0.04 0.00 0.00 61.00 64.03 3hae s PRO 116 Cb -0.28 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 3hae s PRO 116 CO 0.31 -0.58 0.01 0.95 0.04 0.00 0.00 177.00 177.72 3hae s THR 117 N 0.14 4.22 -0.02 1.26 -4.23 0.19 -4.91 115.64 112.28 3hae s THR 117 Ca 0.63 -0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.96 3hae s THR 117 Cb -0.46 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 3hae s THR 117 CO 0.45 0.46 -0.18 -0.69 -0.54 0.00 0.00 174.62 174.12 3hae s VAL 118 N 0.53 2.75 -0.03 2.29 1.01 -1.26 0.12 120.40 125.80 3hae s VAL 118 Ca -0.00 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3hae s VAL 118 Cb -0.14 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.18 3hae s VAL 118 CO 0.02 0.51 -0.05 -0.89 0.00 0.00 0.00 175.10 174.69 3hae s THR 119 N -0.76 0.55 -0.05 3.92 2.01 0.11 -4.97 115.64 116.45 3hae s THR 119 Ca 0.12 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.99 3hae s THR 119 Cb -0.10 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 3hae s THR 119 CO 0.02 0.21 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.72 3hae s LEU 120 N 0.58 2.30 -0.05 4.42 2.96 -1.26 -0.97 118.68 126.66 3hae s LEU 120 Ca -0.08 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3hae s LEU 120 Cb -0.11 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.15 3hae s LEU 120 CO 0.00 0.28 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.82 3hae s PHE 121 N -0.37 1.50 0.67 5.38 0.08 -0.81 -5.00 117.98 119.43 3hae s PHE 121 Ca 0.03 -0.49 -0.06 0.00 0.12 0.00 0.00 56.93 56.52 3hae s PHE 121 Cb -0.12 -1.06 0.04 0.00 -0.57 0.00 0.00 43.02 41.31 3hae s PHE 121 CO 0.02 -0.22 0.98 -1.25 -0.10 0.00 0.00 175.22 174.65 3hae s PRO 122 N 0.38 2.43 0.22 0.24 0.04 -1.26 -2.24 135.00 134.80 3hae s PRO 122 Ca -0.10 -0.16 -0.32 0.00 0.04 0.00 0.00 61.00 60.46 3hae s PRO 122 Cb -0.13 -2.20 -0.14 0.00 0.04 0.00 0.00 34.50 32.07 3hae s PRO 122 CO 0.03 -1.07 1.32 -2.30 0.04 0.00 0.00 177.00 175.02 3hae n PRO 123 N -2.82 1.74 -0.93 0.56 -0.02 -1.24 -4.89 135.00 127.40 3hae n PRO 123 Ca 0.07 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 3hae n PRO 123 Cb 0.59 -2.22 0.08 0.00 -0.02 0.00 0.00 33.50 31.93 3hae n PRO 123 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3hae n SER 124 N 2.12 -3.67 0.30 2.55 7.64 -1.26 -4.86 113.62 116.43 3hae n SER 124 Ca 0.13 0.30 -0.15 0.00 1.01 0.00 0.00 58.87 60.16 3hae n SER 124 Cb 0.29 -1.01 -0.08 0.00 -1.01 0.00 0.00 64.21 62.40 3hae n SER 124 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3hae h SER 125 N -1.18 -0.65 -0.48 6.43 0.02 -1.99 -2.60 113.55 113.10 3hae h SER 125 Ca -0.44 -0.04 0.09 0.00 -0.84 0.00 0.00 61.79 60.56 3hae h SER 125 Cb 1.30 0.17 -0.10 0.00 0.14 0.00 0.00 62.40 63.91 3hae h SER 125 CO 0.31 -0.31 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.05 3hae h GLU 126 N -1.02 -0.19 -0.98 3.45 5.08 -1.99 0.25 114.58 119.18 3hae h GLU 126 Ca -0.08 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.46 3hae h GLU 126 Cb 0.65 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.85 3hae h GLU 126 CO 0.13 -0.12 0.61 1.49 -1.00 0.00 0.00 179.01 180.12 3hae h GLU 127 N -0.19 0.74 -0.17 2.33 4.81 -1.90 0.58 114.58 120.78 3hae h GLU 127 Ca 0.20 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.22 3hae h GLU 127 Cb 0.53 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3hae h GLU 127 CO -0.59 0.49 -0.59 -0.07 -0.73 0.00 0.00 179.01 177.52 3hae h LEU 128 N 0.76 0.63 -0.68 1.64 3.38 -0.46 -0.98 115.31 119.60 3hae h LEU 128 Ca 0.53 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 58.26 3hae h LEU 128 Cb 0.82 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 3hae h LEU 128 CO -0.30 1.08 0.28 1.56 0.09 0.00 0.00 178.44 181.15 3hae h GLN 129 N 0.42 0.45 -0.03 1.13 4.20 0.15 0.34 115.11 121.77 3hae h GLN 129 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3hae h GLN 129 Cb 1.15 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3hae h GLN 129 CO 0.11 0.30 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 3hae n ALA 130 N -2.47 2.55 -2.36 3.87 0.00 -0.37 -4.87 120.51 116.86 3hae n ALA 130 Ca 0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3hae n ALA 130 Cb 0.32 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3hae n ALA 130 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hae n ASN 131 N -0.53 -3.73 -4.46 0.00 4.05 0.12 -5.03 115.26 105.69 3hae n ASN 131 Ca 0.08 -0.06 -0.30 0.00 0.45 0.00 0.00 54.58 54.75 3hae n ASN 131 Cb 0.06 -2.85 -0.08 0.00 1.23 0.00 0.00 39.78 38.14 3hae n ASN 131 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3hae s LYS 132 N -4.74 2.08 -0.30 1.20 -0.14 -0.40 -4.59 119.74 112.85 3hae s LYS 132 Ca 0.05 -2.31 -0.03 0.00 -1.36 0.00 0.00 55.97 52.32 3hae s LYS 132 Cb -0.02 -1.11 0.19 0.00 -1.68 0.00 0.00 37.83 35.21 3hae s LYS 132 CO 0.06 -0.42 0.77 0.00 -0.76 0.00 0.00 175.35 175.00 3hae s ALA 133 N -3.02 -2.85 -0.19 5.17 0.00 -1.05 -3.74 121.76 116.07 3hae s ALA 133 Ca 0.14 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 3hae s ALA 133 Cb 0.02 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 3hae s ALA 133 CO 0.08 -1.62 -0.08 0.99 0.00 0.00 0.00 175.76 175.14 3hae s THR 134 N 2.89 3.21 0.03 0.00 2.01 -1.26 0.11 115.64 122.63 3hae s THR 134 Ca 0.14 -0.56 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 3hae s THR 134 Cb -0.10 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 3hae s THR 134 CO -0.20 0.46 0.15 -1.48 -0.69 0.00 0.00 174.62 172.85 3hae s LEU 135 N 1.14 4.16 -0.12 4.42 -0.00 -0.78 -3.60 118.68 123.90 3hae s LEU 135 Ca 0.01 0.22 0.00 0.00 -0.00 0.00 0.00 54.13 54.36 3hae s LEU 135 Cb -0.14 -2.61 0.02 0.00 -0.00 0.00 0.00 46.19 43.46 3hae s LEU 135 CO -0.02 0.22 -0.12 -0.69 -0.00 0.00 0.00 176.35 175.75 3hae s VAL 136 N -1.36 1.33 -0.10 1.48 1.01 -0.95 -1.66 120.40 120.15 3hae s VAL 136 Ca 0.29 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3hae s VAL 136 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3hae s VAL 136 CO 0.21 0.42 -0.10 0.00 0.00 0.00 0.00 175.10 175.63 3hae s LEU 138 N -0.19 0.01 -0.33 0.00 1.43 -0.14 -0.21 118.68 119.25 3hae s LEU 138 Ca 0.01 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 3hae s LEU 138 Cb -0.13 0.17 0.09 0.00 0.03 0.00 0.00 46.19 46.36 3hae s LEU 138 CO 0.03 -0.24 0.04 -0.63 0.23 0.00 0.00 176.35 175.77 3hae s ILE 139 N 2.22 2.10 0.03 -0.59 1.01 -0.65 0.08 121.20 125.40 3hae s ILE 139 Ca 0.03 -2.15 0.02 0.00 0.00 0.00 0.00 60.65 58.56 3hae s ILE 139 Cb -0.12 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 3hae s ILE 139 CO -0.05 -0.54 0.01 -0.94 0.00 0.00 0.00 174.94 173.42 3hae s SER 140 N 1.01 5.15 -1.25 3.58 1.04 0.32 -2.93 113.70 120.61 3hae s SER 140 Ca 0.08 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3hae s SER 140 Cb -0.19 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.61 3hae s SER 140 CO -0.09 0.25 0.00 0.47 0.98 0.00 0.00 173.24 174.84 3hae n ASP 141 N 1.11 -4.33 -4.87 7.02 8.00 -1.18 0.53 116.55 122.84 3hae n ASP 141 Ca -0.13 0.12 -0.29 0.00 0.71 0.00 0.00 54.79 55.19 3hae n ASP 141 Cb 0.52 -3.32 0.09 0.00 -0.02 0.00 0.00 41.12 38.39 3hae n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hae s PHE 142 N -2.60 2.95 -0.29 1.24 -0.71 -1.26 -4.49 117.98 112.82 3hae s PHE 142 Ca 0.00 0.87 -0.19 0.00 -1.04 0.00 0.00 56.93 56.57 3hae s PHE 142 Cb 0.00 -3.35 0.15 0.00 -1.21 0.00 0.00 43.02 38.61 3hae s PHE 142 CO 0.00 -1.74 1.04 -0.47 -1.34 0.00 0.00 175.22 172.70 3hae s TYR 143 N -3.44 -0.48 1.06 3.49 5.04 -0.24 -1.70 117.35 121.07 3hae s TYR 143 Ca 0.61 1.02 -0.17 0.00 -2.44 0.00 0.00 57.07 56.09 3hae s TYR 143 Cb -0.12 0.34 0.23 0.00 0.35 0.00 0.00 41.96 42.76 3hae s TYR 143 CO 0.51 -0.24 1.22 -2.14 -1.34 0.00 0.00 175.55 173.56 3hae s PRO 144 N 0.97 -0.11 -1.32 4.97 0.02 -1.26 -2.40 135.00 135.86 3hae s PRO 144 Ca -0.05 -0.23 -0.15 0.00 0.02 0.00 0.00 61.00 60.59 3hae s PRO 144 Cb -0.04 -1.74 0.09 0.00 0.02 0.00 0.00 34.50 32.83 3hae s PRO 144 CO -0.12 -2.95 1.83 0.41 -0.33 0.00 0.00 177.00 175.84 3hae n GLY 145 N -2.50 3.46 2.96 0.52 0.00 -1.26 -4.78 105.19 103.58 3hae n GLY 145 Ca 0.14 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 ALA 146 N 3.02 -1.32 0.05 4.61 0.00 -1.26 -4.87 121.76 121.99 3hae s ALA 146 Ca 0.48 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.43 3hae s ALA 146 Cb 0.06 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 3hae s ALA 146 CO 0.01 -1.37 -0.12 0.14 0.00 0.00 0.00 175.76 174.42 3hae s VAL 147 N 2.60 0.91 -0.02 0.00 -7.23 -1.26 -4.42 120.40 110.98 3hae s VAL 147 Ca 0.13 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 3hae s VAL 147 Cb -0.15 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 3hae s VAL 147 CO -0.19 -0.22 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.34 3hae s THR 148 N -1.18 2.98 -0.20 5.32 2.01 0.22 -4.95 115.64 119.85 3hae s THR 148 Ca -0.04 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.11 3hae s THR 148 Cb -0.09 -2.19 0.05 0.00 0.01 0.00 0.00 72.50 70.28 3hae s THR 148 CO 0.01 0.52 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 3hae s VAL 149 N -0.79 1.33 0.28 3.82 1.01 -1.26 -0.01 120.40 124.78 3hae s VAL 149 Ca 0.12 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.27 3hae s VAL 149 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3hae s VAL 149 CO 0.02 0.02 0.04 0.00 0.00 0.00 0.00 175.10 175.18 3hae s ALA 150 N 1.51 3.27 0.11 5.51 0.00 -0.54 -4.94 121.76 126.68 3hae s ALA 150 Ca -0.02 -1.65 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 3hae s ALA 150 Cb -0.17 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.14 3hae s ALA 150 CO -0.07 0.23 0.30 -1.58 0.00 0.00 0.00 175.76 174.63 3hae s TRP 151 N -2.32 -0.02 0.00 0.00 0.52 -1.26 -1.43 118.94 114.44 3hae s TRP 151 Ca 0.33 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.09 3hae s TRP 151 Cb -0.06 0.10 0.00 0.00 -1.15 0.00 0.00 33.47 32.36 3hae s TRP 151 CO 0.21 -0.63 0.00 1.17 0.02 0.00 0.00 176.95 177.72 3hae n LYS 152 N -0.15 0.00 0.00 4.98 3.00 -0.07 -0.64 118.16 125.28 3hae n LYS 152 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 3hae n LYS 152 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.66 3hae n LYS 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hae n ALA 153 N 0.00 0.00 -0.06 3.14 0.00 0.65 -2.40 120.51 121.84 3hae n ALA 153 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3hae n ALA 153 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3hae n ALA 153 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hae h ASP 154 N 0.00 0.00 -2.06 0.00 3.32 -1.98 -3.34 116.42 112.36 3hae h ASP 154 Ca 0.00 -0.06 -0.72 0.00 0.02 0.00 0.00 57.03 56.26 3hae h ASP 154 Cb 0.00 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.23 3hae h ASP 154 CO 0.00 0.69 0.44 0.61 -1.72 0.00 0.00 179.24 179.26 3hae n GLY 155 N 1.68 5.84 2.88 2.75 0.00 -1.26 -4.76 105.19 112.32 3hae n GLY 155 Ca -0.05 -2.62 -0.13 0.00 0.00 0.00 0.00 46.02 43.22 3hae n GLY 155 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hae s SER 156 N -2.02 -0.02 0.59 1.61 0.15 -1.26 -5.04 113.70 107.71 3hae s SER 156 Ca 0.46 0.10 -0.18 0.00 0.70 0.00 0.00 55.95 57.03 3hae s SER 156 Cb 0.32 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.65 3hae s SER 156 CO -0.23 -0.05 1.15 -2.16 1.20 0.00 0.00 173.24 173.14 3hae s PRO 157 N 0.38 3.07 -0.02 5.44 0.04 -1.26 -0.25 135.00 142.40 3hae s PRO 157 Ca -0.03 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3hae s PRO 157 Cb -0.04 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3hae s PRO 157 CO -0.01 -1.08 0.00 0.54 0.04 0.00 0.00 177.00 176.49 3hae s VAL 158 N -1.87 0.09 -0.08 -0.36 0.11 0.19 -4.54 120.40 113.95 3hae s VAL 158 Ca 0.73 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.79 3hae s VAL 158 Cb -0.25 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3hae s VAL 158 CO 0.33 0.09 -0.10 1.17 -3.33 0.00 0.00 175.10 173.25 3hae n LYS 159 N 3.77 0.25 -1.88 1.54 3.00 -1.26 -4.62 118.16 118.96 3hae n LYS 159 Ca -0.22 0.37 -0.41 0.00 -0.00 0.00 0.00 58.31 58.04 3hae n LYS 159 Cb 0.53 -1.23 -0.01 0.00 0.00 0.00 0.00 35.03 34.32 3hae n LYS 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hae s ALA 160 N -2.87 3.64 0.00 3.14 0.00 -1.26 -3.40 121.76 121.00 3hae s ALA 160 Ca -0.09 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3hae s ALA 160 Cb 0.01 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3hae s ALA 160 CO 0.13 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3hae n GLY 161 N 1.45 0.93 3.73 0.00 0.00 -1.26 -4.70 105.19 105.33 3hae n GLY 161 Ca 0.04 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3hae n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hae s VAL 162 N -2.00 5.17 -0.02 1.61 1.01 -1.22 0.13 120.40 125.08 3hae s VAL 162 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3hae s VAL 162 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.09 3hae s VAL 162 CO 0.00 0.50 0.01 -1.61 0.00 0.00 0.00 175.10 173.99 3hae s GLU 163 N -0.03 0.14 -0.06 2.72 0.41 -0.60 -4.98 118.70 116.30 3hae s GLU 163 Ca 0.08 0.08 -0.06 0.00 -0.41 0.00 0.00 54.97 54.66 3hae s GLU 163 Cb -0.12 -0.31 0.02 0.00 -1.78 0.00 0.00 34.13 31.94 3hae s GLU 163 CO 0.00 -0.10 0.17 0.99 -0.49 0.00 0.00 175.26 175.83 3hae s THR 164 N 0.76 0.01 0.02 3.63 2.01 -1.26 -0.12 115.64 120.68 3hae s THR 164 Ca -0.07 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 3hae s THR 164 Cb -0.10 -0.27 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 3hae s THR 164 CO -0.02 -0.05 0.35 0.42 -0.69 0.00 0.00 174.62 174.64 3hae s THR 165 N -0.09 5.15 0.19 -0.82 -4.23 -1.05 -5.01 115.64 109.78 3hae s THR 165 Ca -0.02 0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 60.70 3hae s THR 165 Cb -0.02 -3.63 -0.17 0.00 1.34 0.00 0.00 72.50 70.03 3hae s THR 165 CO 0.00 0.44 0.77 0.29 -0.54 0.00 0.00 174.62 175.59 3hae n LYS 166 N 1.38 0.40 -2.04 3.99 5.02 -1.26 -4.54 118.16 121.13 3hae n LYS 166 Ca -0.12 0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 3hae n LYS 166 Cb 0.53 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 3hae n LYS 166 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hae s PRO 167 N -0.88 4.24 -0.17 1.97 0.02 -1.26 -4.71 135.00 134.21 3hae s PRO 167 Ca 0.68 2.21 -0.06 0.00 0.02 0.00 0.00 61.00 63.85 3hae s PRO 167 Cb -0.92 -3.43 -0.04 0.00 0.02 0.00 0.00 34.50 30.13 3hae s PRO 167 CO 0.56 -0.62 0.04 -1.54 -0.33 0.00 0.00 177.00 175.12 3hae s SER 168 N 1.77 5.50 0.43 2.53 1.04 0.43 -4.84 113.70 120.56 3hae s SER 168 Ca 0.69 0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.94 3hae s SER 168 Cb -0.38 -1.90 -0.08 0.00 0.10 0.00 0.00 66.02 63.75 3hae s SER 168 CO 0.30 0.20 1.30 -0.75 0.98 0.00 0.00 173.24 175.27 3hae s LYS 169 N 0.22 3.83 0.13 4.02 2.20 -1.26 -2.11 119.74 126.76 3hae s LYS 169 Ca 0.03 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 3hae s LYS 169 Cb -0.13 -2.65 -0.00 0.00 -1.51 0.00 0.00 37.83 33.55 3hae s LYS 169 CO 0.01 -0.60 0.01 0.00 -0.36 0.00 0.00 175.35 174.41 3hae n GLN 170 N -0.11 1.41 0.00 4.03 -0.00 0.49 -4.91 117.38 118.29 3hae n GLN 170 Ca 0.05 -0.98 0.00 0.00 -0.00 0.00 0.00 57.00 56.07 3hae n GLN 170 Cb 0.44 0.34 0.00 0.00 -0.00 0.00 0.00 30.24 31.02 3hae n GLN 170 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3hae n SER 171 N -1.35 0.00 -0.74 2.61 2.88 -1.26 -1.74 113.62 114.02 3hae n SER 171 Ca -0.04 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 3hae n SER 171 Cb 0.17 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 3hae n SER 171 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3hae n ASN 172 N -2.51 1.34 0.00 -3.46 0.23 -1.26 -4.77 115.26 104.83 3hae n ASN 172 Ca 0.00 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.70 3hae n ASN 172 Cb 0.00 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 3hae n ASN 172 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hae n ASN 173 N 0.41 0.00 -4.36 0.53 4.05 -0.71 -4.98 115.26 110.20 3hae n ASN 173 Ca 0.00 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.73 3hae n ASN 173 Cb 0.25 -0.29 0.16 0.00 1.23 0.00 0.00 39.78 41.13 3hae n ASN 173 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3hae s LYS 174 N 0.00 0.98 0.00 1.20 3.01 -1.26 -4.72 119.74 118.95 3hae s LYS 174 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 55.97 54.73 3hae s LYS 174 Cb 0.00 -1.87 0.00 0.00 -1.01 0.00 0.00 37.83 34.95 3hae s LYS 174 CO 0.00 -2.21 0.00 0.66 0.51 0.00 0.00 175.35 174.31 3hae n TYR 175 N -3.66 -0.92 0.00 3.18 4.02 -0.69 -0.38 117.16 118.71 3hae n TYR 175 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 3hae n TYR 175 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 3hae n TYR 175 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hae n ALA 176 N -3.00 0.00 -2.26 -0.72 0.00 -0.90 -3.11 120.51 110.53 3hae n ALA 176 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3hae n ALA 176 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3hae n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hae s ALA 177 N 0.00 1.43 0.01 0.00 0.00 -1.15 -0.43 121.76 121.62 3hae s ALA 177 Ca 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 51.96 50.30 3hae s ALA 177 Cb 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 23.12 23.60 3hae s ALA 177 CO 0.00 -0.29 0.08 -1.54 0.00 0.00 0.00 175.76 174.02 3hae s SER 178 N -3.19 0.09 -0.05 0.00 1.04 -1.26 -1.64 113.70 108.68 3hae s SER 178 Ca 0.24 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.45 3hae s SER 178 Cb 0.06 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 3hae s SER 178 CO 0.04 -0.33 -0.21 -0.55 0.98 0.00 0.00 173.24 173.17 3hae s SER 179 N -1.33 2.60 -0.16 7.02 0.15 0.71 -2.52 113.70 120.17 3hae s SER 179 Ca -0.14 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.09 3hae s SER 179 Cb -0.08 -0.68 0.02 0.00 -1.71 0.00 0.00 66.02 63.57 3hae s SER 179 CO 0.01 0.20 -0.16 -0.31 1.20 0.00 0.00 173.24 174.18 3hae s TYR 180 N -0.10 2.37 -0.20 3.44 1.51 0.83 -0.12 117.35 125.07 3hae s TYR 180 Ca -0.03 -1.35 -0.15 0.00 -1.01 0.00 0.00 57.07 54.53 3hae s TYR 180 Cb -0.12 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 3hae s TYR 180 CO 0.03 -0.71 0.37 -1.17 -1.11 0.00 0.00 175.55 172.96 3hae s LEU 181 N 1.41 4.16 -0.20 -1.29 2.96 -0.67 -1.56 118.68 123.50 3hae s LEU 181 Ca 0.05 0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 54.35 3hae s LEU 181 Cb -0.13 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.04 3hae s LEU 181 CO -0.11 -0.05 0.13 -0.44 -1.32 0.00 0.00 176.35 174.56 3hae s SER 182 N 0.98 6.22 0.09 3.68 0.01 0.34 -1.87 113.70 123.15 3hae s SER 182 Ca 0.18 0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.73 3hae s SER 182 Cb -0.14 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 3hae s SER 182 CO 0.07 0.19 -0.13 -0.76 0.41 0.00 0.00 173.24 173.03 3hae s LEU 183 N 0.28 2.34 0.68 2.44 1.43 0.29 -4.56 118.68 121.57 3hae s LEU 183 Ca 0.08 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 3hae s LEU 183 Cb -0.11 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.67 3hae s LEU 183 CO -0.02 -0.15 1.10 0.42 0.23 0.00 0.00 176.35 177.94 3hae s THR 184 N -1.76 3.30 0.36 5.49 -4.23 -1.26 -2.54 115.64 114.99 3hae s THR 184 Ca 0.02 0.57 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 3hae s THR 184 Cb -0.07 -3.09 0.28 0.00 1.34 0.00 0.00 72.50 70.96 3hae s THR 184 CO 0.02 -0.41 1.98 -0.65 -0.54 0.00 0.00 174.62 175.01 3hae h PRO 185 N -0.18 0.78 -0.72 3.99 0.11 -1.81 -3.12 132.00 131.05 3hae h PRO 185 Ca -0.46 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3hae h PRO 185 Cb 1.24 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3hae h PRO 185 CO 0.54 0.52 0.47 0.93 -0.21 0.00 0.00 178.00 180.25 3hae h GLU 186 N 0.80 0.84 0.00 1.05 4.39 -1.98 -2.14 114.58 117.55 3hae h GLU 186 Ca 0.29 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3hae h GLU 186 Cb 0.13 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3hae h GLU 186 CO -0.09 0.56 -0.82 -0.56 -1.16 0.00 0.00 179.01 176.95 3hae h GLN 187 N 0.87 0.00 0.00 2.33 3.07 -1.96 0.07 115.11 119.48 3hae h GLN 187 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 3hae h GLN 187 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 3hae h GLN 187 CO -0.08 0.00 0.00 2.35 0.09 0.00 0.00 178.83 181.19 3hae h TRP 188 N 0.00 0.00 0.03 0.06 2.91 -1.33 -3.28 115.95 114.34 3hae h TRP 188 Ca 0.00 0.00 -0.38 0.00 1.13 0.00 0.00 58.89 59.64 3hae h TRP 188 Cb 0.90 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.49 3hae h TRP 188 CO 0.00 0.00 -2.34 1.63 -1.03 0.00 0.00 178.44 176.70 3hae n LYS 189 N -2.76 0.68 0.00 2.65 4.01 -1.05 -4.53 118.16 117.16 3hae n LYS 189 Ca 0.02 0.17 0.06 0.00 -0.51 0.00 0.00 58.31 58.05 3hae n LYS 189 Cb 0.30 -1.57 0.33 0.00 -0.51 0.00 0.00 35.03 33.58 3hae n LYS 189 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3hae n SER 190 N -3.28 0.00 -4.32 4.39 3.41 -0.01 -4.69 113.62 109.12 3hae n SER 190 Ca -0.41 -0.10 -0.26 0.00 -0.26 0.00 0.00 58.87 57.84 3hae n SER 190 Cb 1.01 -0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 64.67 3hae n SER 190 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hae s HIS 191 N -2.33 2.00 0.24 7.33 3.76 -1.24 -5.05 115.29 120.00 3hae s HIS 191 Ca 0.14 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.63 3hae s HIS 191 Cb 0.08 -1.10 0.26 0.00 1.11 0.00 0.00 32.58 32.93 3hae s HIS 191 CO 0.17 0.24 1.67 0.00 -0.85 0.00 0.00 174.74 175.96 3hae h ARG 192 N 4.11 0.70 -1.42 1.40 3.08 -1.93 -3.43 114.38 116.89 3hae h ARG 192 Ca -0.48 -0.27 0.12 0.00 0.07 0.00 0.00 59.98 59.43 3hae h ARG 192 Cb 1.17 -0.04 -0.26 0.00 0.08 0.00 0.00 29.97 30.92 3hae h ARG 192 CO 0.40 0.85 0.63 -1.54 -1.07 0.00 0.00 179.97 179.24 3hae s SER 193 N -6.75 -0.29 0.09 7.04 1.04 -1.26 -4.13 113.70 109.43 3hae s SER 193 Ca -0.09 0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.83 3hae s SER 193 Cb 0.13 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3hae s SER 193 CO 0.82 -0.19 -0.03 -0.31 0.98 0.00 0.00 173.24 174.52 3hae s TYR 194 N -0.53 2.93 -0.06 5.02 1.51 -0.86 -4.44 117.35 120.92 3hae s TYR 194 Ca 0.03 -0.05 -0.00 0.00 -1.01 0.00 0.00 57.07 56.03 3hae s TYR 194 Cb -0.03 -1.52 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 3hae s TYR 194 CO -0.05 0.46 -0.01 -1.12 -1.11 0.00 0.00 175.55 173.72 3hae s SER 195 N -2.23 1.27 -0.15 2.29 0.01 -1.01 -2.42 113.70 111.46 3hae s SER 195 Ca 0.24 -0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.21 3hae s SER 195 Cb -0.12 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 3hae s SER 195 CO 0.17 -0.14 0.60 0.00 0.41 0.00 0.00 173.24 174.27 3hae s GLN 197 N 1.36 1.96 -0.25 0.00 -0.21 -0.52 -1.14 119.66 120.87 3hae s GLN 197 Ca 0.29 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.25 3hae s GLN 197 Cb -0.16 -1.87 0.04 0.00 1.00 0.00 0.00 33.01 32.03 3hae s GLN 197 CO 0.12 -0.23 -0.09 0.08 -2.12 0.00 0.00 175.29 173.04 3hae s VAL 198 N 1.54 2.51 -0.26 1.09 1.01 -0.42 -1.46 120.40 124.40 3hae s VAL 198 Ca 0.04 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 60.63 3hae s VAL 198 Cb -0.13 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3hae s VAL 198 CO -0.09 0.13 0.16 -0.89 0.00 0.00 0.00 175.10 174.41 3hae s THR 199 N 1.23 5.20 -0.06 3.92 2.01 0.98 -0.85 115.64 128.07 3hae s THR 199 Ca -0.03 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 3hae s THR 199 Cb -0.18 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.90 3hae s THR 199 CO -0.06 0.30 0.18 -2.28 -0.69 0.00 0.00 174.62 172.07 3hae s HIS 200 N 1.45 -0.17 0.00 4.92 5.04 -1.07 -0.61 115.29 124.84 3hae s HIS 200 Ca 0.07 0.42 0.00 0.00 -1.54 0.00 0.00 55.06 54.01 3hae s HIS 200 Cb -0.15 0.06 0.00 0.00 0.04 0.00 0.00 32.58 32.53 3hae s HIS 200 CO 0.08 -0.12 0.00 0.39 -2.34 0.00 0.00 174.74 172.75 3hae n GLU 201 N 2.82 -0.25 0.00 2.88 -0.58 -1.26 -1.84 120.64 122.41 3hae n GLU 201 Ca -0.14 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 3hae n GLU 201 Cb 0.58 0.22 0.00 0.00 -0.57 0.00 0.00 31.44 31.67 3hae n GLU 201 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hae n GLY 202 N -0.58 1.01 3.70 0.62 0.00 -1.26 -4.92 105.19 103.75 3hae n GLY 202 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3hae n GLY 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hae s ASN 203 N 0.00 6.81 0.23 1.61 2.47 -0.77 -5.07 114.94 120.22 3hae s ASN 203 Ca 0.00 0.97 -0.05 0.00 0.42 0.00 0.00 52.86 54.20 3hae s ASN 203 Cb 0.00 -2.36 -0.05 0.00 -1.45 0.00 0.00 41.25 37.39 3hae s ASN 203 CO 0.00 -0.13 0.49 -0.89 -3.72 0.00 0.00 177.10 172.84 3hae s THR 204 N 1.10 5.07 0.03 -5.21 2.01 -1.26 -2.61 115.64 114.77 3hae s THR 204 Ca 0.31 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.38 3hae s THR 204 Cb -0.16 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 3hae s THR 204 CO 0.13 -0.19 -0.10 0.68 -0.69 0.00 0.00 174.62 174.46 3hae s VAL 205 N -1.92 0.77 -0.10 3.82 -7.23 -0.03 -4.96 120.40 110.74 3hae s VAL 205 Ca 0.43 -0.79 -0.02 0.00 -1.81 0.00 0.00 61.98 59.79 3hae s VAL 205 Cb -0.11 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 3hae s VAL 205 CO 0.27 -0.05 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.29 3hae s GLU 206 N -0.93 3.16 0.00 4.82 2.12 -1.26 -1.30 118.70 125.30 3hae s GLU 206 Ca -0.01 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.87 3hae s GLU 206 Cb -0.07 -2.79 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 3hae s GLU 206 CO 0.01 0.55 -0.07 0.15 -0.54 0.00 0.00 175.26 175.35 3hae s LYS 207 N -0.47 0.56 0.13 4.30 -0.14 -0.29 -5.03 119.74 118.81 3hae s LYS 207 Ca 0.08 -0.32 0.02 0.00 -1.36 0.00 0.00 55.97 54.38 3hae s LYS 207 Cb -0.12 -0.52 -0.04 0.00 -1.68 0.00 0.00 37.83 35.47 3hae s LYS 207 CO 0.02 0.14 -0.03 0.95 -0.76 0.00 0.00 175.35 175.67 3hae s THR 208 N -0.32 0.64 0.00 2.17 -4.23 -1.26 -1.00 115.64 111.64 3hae s THR 208 Ca 0.01 -1.95 -0.18 0.00 -1.18 0.00 0.00 61.69 58.39 3hae s THR 208 Cb -0.04 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.94 3hae s THR 208 CO -0.00 -0.67 0.39 0.68 -0.54 0.00 0.00 174.62 174.48 3hae s VAL 209 N -3.67 0.05 0.11 2.29 -7.23 -1.02 -5.00 120.40 105.93 3hae s VAL 209 Ca 0.18 -0.43 0.08 0.00 -1.81 0.00 0.00 61.98 60.00 3hae s VAL 209 Cb 0.06 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 3hae s VAL 209 CO -0.01 -0.24 -0.20 0.00 -0.31 0.00 0.00 175.10 174.35 3hae s ALA 210 N -1.79 1.77 -2.09 1.32 0.00 -1.26 -2.03 121.76 117.68 3hae s ALA 210 Ca -0.10 -1.25 0.31 0.00 0.00 0.00 0.00 51.96 50.92 3hae s ALA 210 Cb -0.03 -0.22 1.75 0.00 0.00 0.00 0.00 23.12 24.62 3hae s ALA 210 CO 0.02 0.33 2.14 -0.35 0.00 0.00 0.00 175.76 177.90