#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xcf s VAL 29 N 0.00 2.89 0.06 -0.39 1.01 -1.26 -5.03 120.40 117.68 2xcf s VAL 29 Ca 0.00 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2xcf s VAL 29 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2xcf s VAL 29 CO 0.00 0.05 0.13 -1.61 0.00 0.00 0.00 175.10 173.66 2xcf s GLU 30 N 1.16 3.10 -0.06 2.72 2.02 -1.26 -4.92 118.70 121.46 2xcf s GLU 30 Ca 0.68 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 55.13 2xcf s GLU 30 Cb -0.41 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2xcf s GLU 30 CO 0.31 0.59 -0.13 0.20 0.02 0.00 0.00 175.26 176.25 2xcf s GLY 31 N -2.33 1.55 0.40 -1.39 0.00 -0.51 -4.78 107.32 100.26 2xcf s GLY 31 Ca 0.30 -0.96 0.23 0.00 0.00 0.00 0.00 44.72 44.30 2xcf s GLY 31 CO 0.23 -0.70 1.60 0.83 0.00 0.00 0.00 173.10 175.07 2xcf h GLU 32 N 5.47 0.00 -5.10 2.90 3.07 -1.89 -2.71 114.58 116.32 2xcf h GLU 32 Ca -0.45 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 57.78 2xcf h GLU 32 Cb 1.16 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.74 2xcf h GLU 32 CO 0.51 0.00 -0.86 0.08 -1.40 0.00 0.00 179.01 177.34 2xcf s VAL 33 N -3.20 1.81 -0.08 3.13 1.01 -1.26 -0.97 120.40 120.84 2xcf s VAL 33 Ca 0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2xcf s VAL 33 Cb 0.06 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2xcf s VAL 33 CO 0.67 0.50 0.06 -1.10 0.00 0.00 0.00 175.10 175.24 2xcf s GLN 34 N 0.53 3.16 -0.27 2.72 1.11 0.15 -4.97 119.66 122.10 2xcf s GLN 34 Ca -0.15 -0.32 -0.15 0.00 0.01 0.00 0.00 55.36 54.74 2xcf s GLN 34 Cb -0.17 -2.94 -0.04 0.00 -1.01 0.00 0.00 33.01 28.85 2xcf s GLN 34 CO 0.05 0.72 0.40 0.42 0.01 0.00 0.00 175.29 176.89 2xcf s ILE 35 N -0.99 5.16 0.16 1.08 1.01 -1.26 -0.62 121.20 125.74 2xcf s ILE 35 Ca 0.16 0.63 0.09 0.00 0.00 0.00 0.00 60.65 61.52 2xcf s ILE 35 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2xcf s ILE 35 CO 0.05 0.15 -0.20 0.68 0.00 0.00 0.00 174.94 175.62 2xcf s VAL 36 N 2.11 1.91 0.00 2.92 -7.23 -0.22 -4.97 120.40 114.92 2xcf s VAL 36 Ca 0.16 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2xcf s VAL 36 Cb -0.16 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 2xcf s VAL 36 CO 0.10 -0.25 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.16 2xcf s SER 37 N -2.59 0.38 0.55 4.85 0.01 -1.26 -1.00 113.70 114.64 2xcf s SER 37 Ca 0.16 -0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.35 2xcf s SER 37 Cb -0.07 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.20 2xcf s SER 37 CO 0.07 -0.01 0.51 0.35 0.41 0.00 0.00 173.24 174.57 2xcf n THR 38 N 2.77 0.00 0.27 1.44 -2.24 -0.74 -5.02 114.28 110.77 2xcf n THR 38 Ca -0.14 -2.10 0.15 0.00 -2.27 0.00 0.00 64.05 59.68 2xcf n THR 38 Cb 0.58 -0.16 0.78 0.00 -2.10 0.00 0.00 70.33 69.44 2xcf n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xcf h ALA 39 N 0.53 1.20 0.00 6.98 0.00 -2.01 -3.26 119.26 122.70 2xcf h ALA 39 Ca -0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2xcf h ALA 39 Cb 1.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2xcf h ALA 39 CO 0.50 0.11 -1.16 0.25 0.00 0.00 0.00 179.25 178.95 2xcf n THR 40 N -3.49 0.01 -4.41 0.00 -2.24 -1.26 -5.07 114.28 97.82 2xcf n THR 40 Ca -0.02 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 2xcf n THR 40 Cb 0.23 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 2xcf n THR 40 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2xcf s GLN 41 N -2.23 1.51 -0.03 -0.78 -0.21 -1.23 -5.15 119.66 111.54 2xcf s GLN 41 Ca -0.01 -1.72 -0.03 0.00 0.02 0.00 0.00 55.36 53.62 2xcf s GLN 41 Cb 0.02 -1.28 0.01 0.00 1.00 0.00 0.00 33.01 32.77 2xcf s GLN 41 CO 0.14 0.14 0.08 -0.08 -2.12 0.00 0.00 175.29 173.46 2xcf s THR 42 N -2.89 -0.01 0.00 -0.19 -1.32 -1.26 -1.79 115.64 108.18 2xcf s THR 42 Ca 0.27 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 2xcf s THR 42 Cb 0.01 -0.13 0.00 0.00 -1.51 0.00 0.00 72.50 70.87 2xcf s THR 42 CO 0.11 0.02 0.00 2.22 -2.21 0.00 0.00 174.62 174.75 2xcf n PHE 43 N 3.26 -0.02 -4.36 9.09 -1.74 -0.17 -4.38 117.46 119.13 2xcf n PHE 43 Ca -0.15 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.54 2xcf n PHE 43 Cb 0.58 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.47 2xcf n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2xcf s LEU 44 N 0.00 2.52 0.18 5.98 1.43 -0.23 -1.06 118.68 127.50 2xcf s LEU 44 Ca 0.00 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.20 2xcf s LEU 44 Cb 0.00 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 2xcf s LEU 44 CO 0.00 -0.09 -0.14 0.00 0.23 0.00 0.00 176.35 176.35 2xcf s ALA 45 N -2.59 1.83 -0.04 4.21 0.00 0.21 -4.03 121.76 121.35 2xcf s ALA 45 Ca 0.21 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.65 2xcf s ALA 45 Cb -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2xcf s ALA 45 CO 0.08 0.07 -0.10 0.99 0.00 0.00 0.00 175.76 176.80 2xcf s THR 46 N -2.78 0.88 -0.19 0.00 2.01 -0.01 -0.67 115.64 114.89 2xcf s THR 46 Ca 0.18 -0.37 -0.20 0.00 0.31 0.00 0.00 61.69 61.61 2xcf s THR 46 Cb -0.01 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 2xcf s THR 46 CO 0.05 0.29 0.60 0.00 -0.69 0.00 0.00 174.62 174.87 2xcf s ILE 48 N 1.73 0.39 -1.38 0.00 1.01 -0.03 -0.48 121.20 122.45 2xcf s ILE 48 Ca 0.28 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 2xcf s ILE 48 Cb -0.16 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 41.85 2xcf s ILE 48 CO 0.11 0.23 1.03 0.59 0.00 0.00 0.00 174.94 176.89 2xcf n ASN 49 N 4.62 -4.48 0.00 3.58 5.03 -1.22 -2.23 115.26 120.57 2xcf n ASN 49 Ca -0.16 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 54.63 2xcf n ASN 49 Cb 0.50 -4.59 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 2xcf n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2xcf n GLY 50 N -1.71 1.37 3.46 7.41 0.00 -1.26 -5.02 105.19 109.44 2xcf n GLY 50 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2xcf n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xcf s VAL 51 N -3.63 3.28 -0.48 1.61 1.01 -0.94 -1.37 120.40 119.87 2xcf s VAL 51 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2xcf s VAL 51 Cb 0.00 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 34.07 2xcf s VAL 51 CO 0.00 0.56 0.74 0.00 0.00 0.00 0.00 175.10 176.40 2xcf s TRP 53 N 3.14 3.15 0.13 0.00 0.52 0.09 -1.19 118.94 124.78 2xcf s TRP 53 Ca 0.24 0.13 -0.03 0.00 0.02 0.00 0.00 56.10 56.47 2xcf s TRP 53 Cb -0.14 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 2xcf s TRP 53 CO 0.18 0.50 0.23 -2.37 0.02 0.00 0.00 176.95 175.51 2xcf n THR 54 N 1.35 0.00 -3.19 2.01 5.66 -0.33 -0.83 114.28 118.95 2xcf n THR 54 Ca -0.14 -0.51 -0.39 0.00 -3.05 0.00 0.00 64.05 59.96 2xcf n THR 54 Cb 0.53 0.38 -0.05 0.00 -1.55 0.00 0.00 70.33 69.63 2xcf n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2xcf s VAL 55 N -2.62 5.07 0.30 1.08 -7.23 -1.26 -1.37 120.40 114.37 2xcf s VAL 55 Ca 0.08 1.19 0.05 0.00 -1.81 0.00 0.00 61.98 61.50 2xcf s VAL 55 Cb -0.01 -3.92 0.30 0.00 0.56 0.00 0.00 36.38 33.30 2xcf s VAL 55 CO 0.06 0.32 1.78 0.22 -0.31 0.00 0.00 175.10 177.17 2xcf h TYR 56 N 6.47 1.06 0.00 2.82 5.03 -1.32 -0.25 116.97 130.79 2xcf h TYR 56 Ca -0.42 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.92 2xcf h TYR 56 Cb 1.19 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 39.15 2xcf h TYR 56 CO 0.64 0.24 0.00 -2.39 -1.32 0.00 0.00 178.16 175.33 2xcf n HIS 57 N -4.77 0.00 -0.09 -3.82 1.44 -1.26 -0.82 115.22 105.91 2xcf n HIS 57 Ca 0.23 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.76 2xcf n HIS 57 Cb 0.55 -0.27 -0.06 0.00 0.12 0.00 0.00 29.99 30.33 2xcf n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2xcf n GLY 58 N -0.38 -0.28 0.10 -1.39 0.00 -0.22 -4.82 105.19 98.20 2xcf n GLY 58 Ca 0.05 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2xcf n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xcf h ALA 59 N -0.58 0.50 -0.44 4.61 0.00 -1.10 -3.48 119.26 118.78 2xcf h ALA 59 Ca -0.44 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.21 2xcf h ALA 59 Cb 1.40 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2xcf h ALA 59 CO -0.25 1.35 0.00 0.41 0.00 0.00 0.00 179.25 180.76 2xcf n GLY 60 N 1.62 1.65 0.96 0.00 0.00 0.00 -2.61 105.19 106.81 2xcf n GLY 60 Ca -0.16 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.41 2xcf n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xcf n THR 61 N 0.00 0.51 -1.54 2.61 -2.24 -1.26 -4.84 114.28 107.51 2xcf n THR 61 Ca 0.00 -0.75 -0.39 0.00 -2.27 0.00 0.00 64.05 60.64 2xcf n THR 61 Cb 0.00 0.95 0.03 0.00 -2.10 0.00 0.00 70.33 69.21 2xcf n THR 61 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2xcf n ARG 62 N 1.20 0.81 -1.78 -0.78 1.74 -1.07 -4.75 116.66 112.02 2xcf n ARG 62 Ca 0.16 0.31 -0.30 0.00 -0.77 0.00 0.00 57.85 57.25 2xcf n ARG 62 Cb 0.53 -1.91 0.06 0.00 -1.02 0.00 0.00 32.46 30.12 2xcf n ARG 62 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2xcf s THR 63 N -1.54 3.40 -0.09 0.55 -4.23 -1.26 -4.50 115.64 107.97 2xcf s THR 63 Ca 0.70 0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 61.63 2xcf s THR 63 Cb -0.47 -3.37 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 2xcf s THR 63 CO 0.53 -0.59 0.03 -0.51 -0.54 0.00 0.00 174.62 173.53 2xcf s ILE 64 N -3.29 4.54 0.66 2.99 2.07 -0.09 -4.86 121.20 123.21 2xcf s ILE 64 Ca 0.59 -0.17 -0.16 0.00 -1.41 0.00 0.00 60.65 59.50 2xcf s ILE 64 Cb -0.12 -2.92 0.00 0.00 0.13 0.00 0.00 42.46 39.55 2xcf s ILE 64 CO 0.53 0.60 1.16 0.00 -1.91 0.00 0.00 174.94 175.32 2xcf s ALA 65 N -0.92 2.38 0.11 1.50 0.00 -1.26 -0.87 121.76 122.71 2xcf s ALA 65 Ca 0.14 0.76 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 2xcf s ALA 65 Cb -0.11 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.66 2xcf s ALA 65 CO 0.03 -1.41 0.46 -1.54 0.00 0.00 0.00 175.76 173.29 2xcf s SER 66 N -2.16 -0.34 0.15 0.00 1.04 -1.23 -4.84 113.70 106.32 2xcf s SER 66 Ca 0.72 -0.16 0.13 0.00 0.48 0.00 0.00 55.95 57.12 2xcf s SER 66 Cb -0.25 0.50 0.63 0.00 0.10 0.00 0.00 66.02 66.99 2xcf s SER 66 CO 0.40 -0.84 1.39 -2.65 0.98 0.00 0.00 173.24 172.52 2xcf n PRO 67 N -0.11 0.07 -0.51 4.02 -0.02 -1.26 -1.36 135.00 135.84 2xcf n PRO 67 Ca -0.17 0.50 0.09 0.00 -2.02 0.00 0.00 63.50 61.90 2xcf n PRO 67 Cb 0.63 -1.71 0.31 0.00 -0.02 0.00 0.00 33.50 32.71 2xcf n PRO 67 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2xcf n LYS 68 N -1.86 3.44 0.00 -0.52 5.02 -1.26 -5.09 118.16 117.89 2xcf n LYS 68 Ca 0.00 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 2xcf n LYS 68 Cb 0.07 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 2xcf n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xcf n GLY 69 N 0.83 0.18 3.63 0.72 0.00 -0.47 -5.02 105.19 105.05 2xcf n GLY 69 Ca 0.23 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 2xcf n GLY 69 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2xcf n PRO 70 N 0.08 1.39 -5.18 1.61 -0.02 -1.26 -3.53 135.00 128.08 2xcf n PRO 70 Ca 0.00 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 2xcf n PRO 70 Cb 0.00 -2.12 -0.17 0.00 -0.02 0.00 0.00 33.50 31.19 2xcf n PRO 70 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2xcf s VAL 71 N -1.30 1.97 0.53 -1.45 1.01 -0.05 -4.93 120.40 116.18 2xcf s VAL 71 Ca 0.65 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2xcf s VAL 71 Cb -0.53 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2xcf s VAL 71 CO 0.56 0.54 0.93 0.27 0.00 0.00 0.00 175.10 177.40 2xcf s ILE 72 N 0.13 4.71 0.37 2.22 -4.36 -1.26 -0.91 121.20 122.09 2xcf s ILE 72 Ca -0.12 0.82 -0.28 0.00 -0.26 0.00 0.00 60.65 60.81 2xcf s ILE 72 Cb -0.16 -3.80 -0.11 0.00 1.25 0.00 0.00 42.46 39.63 2xcf s ILE 72 CO 0.06 -0.86 1.43 0.00 0.24 0.00 0.00 174.94 175.81 2xcf n GLN 73 N -2.09 2.51 0.01 0.37 6.02 -1.26 -4.64 117.38 118.29 2xcf n GLN 73 Ca 0.05 0.88 -0.05 0.00 -0.01 0.00 0.00 57.00 57.86 2xcf n GLN 73 Cb 0.54 -2.56 -0.11 0.00 1.02 0.00 0.00 30.24 29.12 2xcf n GLN 73 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2xcf h MET 74 N 2.83 0.00 -4.06 -1.09 2.86 -0.99 -3.48 114.93 111.00 2xcf h MET 74 Ca -0.49 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 56.88 2xcf h MET 74 Cb 1.25 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.65 2xcf h MET 74 CO 0.64 0.45 -0.73 0.71 1.06 0.00 0.00 176.91 179.03 2xcf s TYR 75 N -2.73 0.28 -0.21 -0.22 2.02 -0.96 -5.01 117.35 110.53 2xcf s TYR 75 Ca -0.03 -0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2xcf s TYR 75 Cb 0.08 -0.18 0.10 0.00 -0.40 0.00 0.00 41.96 41.56 2xcf s TYR 75 CO 0.82 -0.03 0.23 0.99 -1.57 0.00 0.00 175.55 175.98 2xcf s THR 76 N -0.35 -0.33 -0.42 -0.71 2.01 -1.26 -1.56 115.64 113.02 2xcf s THR 76 Ca -0.02 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.87 2xcf s THR 76 Cb -0.03 -0.69 0.12 0.00 0.01 0.00 0.00 72.50 71.91 2xcf s THR 76 CO -0.00 -0.21 0.20 0.21 -0.69 0.00 0.00 174.62 174.12 2xcf s ASN 77 N 2.33 3.92 0.39 3.53 3.84 0.28 -4.99 114.94 124.24 2xcf s ASN 77 Ca 0.07 -2.46 0.14 0.00 0.21 0.00 0.00 52.86 50.82 2xcf s ASN 77 Cb -0.16 -1.15 0.80 0.00 -0.55 0.00 0.00 41.25 40.20 2xcf s ASN 77 CO -0.13 -0.30 1.87 0.58 -2.79 0.00 0.00 177.10 176.33 2xcf h VAL 78 N 5.64 1.21 -0.39 -5.21 2.07 -1.96 -1.49 116.25 116.11 2xcf h VAL 78 Ca -0.05 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 2xcf h VAL 78 Cb 0.95 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2xcf h VAL 78 CO 0.51 0.32 -0.00 0.44 0.02 0.00 0.00 177.57 178.86 2xcf h ASP 79 N 0.00 0.68 0.50 0.57 3.32 -1.94 -2.87 116.42 116.69 2xcf h ASP 79 Ca -0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2xcf h ASP 79 Cb 0.58 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2xcf h ASP 79 CO 0.04 0.82 -0.04 0.00 -1.72 0.00 0.00 179.24 178.34 2xcf n GLN 80 N -4.45 0.50 -2.78 3.56 1.13 -1.08 -4.93 117.38 109.33 2xcf n GLN 80 Ca -0.01 -0.07 -0.20 0.00 -1.94 0.00 0.00 57.00 54.79 2xcf n GLN 80 Cb 0.29 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.16 2xcf n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2xcf n ASP 81 N -1.19 -5.60 -4.17 1.08 2.03 -0.91 -4.95 116.55 102.84 2xcf n ASP 81 Ca 0.14 -0.19 -0.28 0.00 0.52 0.00 0.00 54.79 54.98 2xcf n ASP 81 Cb 0.25 -4.49 -0.16 0.00 -0.72 0.00 0.00 41.12 36.00 2xcf n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2xcf s LEU 82 N -5.85 1.96 0.03 -2.67 2.96 -0.61 -0.98 118.68 113.52 2xcf s LEU 82 Ca 0.20 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2xcf s LEU 82 Cb -0.09 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 2xcf s LEU 82 CO 0.25 0.17 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.69 2xcf s VAL 83 N 0.03 0.55 -0.03 1.68 1.01 -0.47 -0.56 120.40 122.61 2xcf s VAL 83 Ca -0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2xcf s VAL 83 Cb -0.13 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2xcf s VAL 83 CO 0.03 -0.19 0.07 -0.83 0.00 0.00 0.00 175.10 174.18 2xcf s GLY 84 N -1.07 0.00 0.30 4.51 0.00 -0.60 -1.18 107.32 109.28 2xcf s GLY 84 Ca -0.05 0.31 0.11 0.00 0.00 0.00 0.00 44.72 45.09 2xcf s GLY 84 CO 0.00 0.48 -0.16 -0.98 0.00 0.00 0.00 173.10 172.44 2xcf s TRP 85 N 0.57 2.34 0.50 1.90 0.51 -0.33 -0.29 118.94 124.15 2xcf s TRP 85 Ca -0.05 -0.37 -0.23 0.00 -2.12 0.00 0.00 56.10 53.33 2xcf s TRP 85 Cb -0.06 -1.12 -0.06 0.00 -0.81 0.00 0.00 33.47 31.42 2xcf s TRP 85 CO -0.02 0.67 1.40 -2.30 -0.51 0.00 0.00 176.95 176.19 2xcf n PRO 86 N -0.69 1.96 -1.85 4.98 -0.02 -1.26 -0.10 135.00 138.02 2xcf n PRO 86 Ca -0.05 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2xcf n PRO 86 Cb 0.61 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 2xcf n PRO 86 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xcf s ALA 87 N -1.24 3.74 0.88 3.55 0.00 -0.47 -4.47 121.76 123.75 2xcf s ALA 87 Ca 0.67 1.49 -0.13 0.00 0.00 0.00 0.00 51.96 53.98 2xcf s ALA 87 Cb -0.43 -3.63 0.13 0.00 0.00 0.00 0.00 23.12 19.19 2xcf s ALA 87 CO 0.53 -0.89 1.20 -1.25 0.00 0.00 0.00 175.76 175.35 2xcf s PRO 88 N -0.15 1.39 0.46 0.00 0.04 -1.26 -4.97 135.00 130.52 2xcf s PRO 88 Ca 0.64 0.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.46 2xcf s PRO 88 Cb -0.46 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 2xcf s PRO 88 CO 0.43 -1.97 1.36 -0.65 0.04 0.00 0.00 177.00 176.21 2xcf s GLN 89 N -5.58 3.64 0.00 4.56 -0.21 -1.26 -3.45 119.66 117.36 2xcf s GLN 89 Ca 0.65 2.27 0.00 0.00 0.02 0.00 0.00 55.36 58.30 2xcf s GLN 89 Cb -0.10 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.33 2xcf s GLN 89 CO 0.51 -0.80 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 2xcf n GLY 90 N 0.62 0.69 3.45 3.09 0.00 -1.26 -5.06 105.19 106.72 2xcf n GLY 90 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2xcf n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xcf s SER 91 N -2.05 3.23 0.07 1.61 1.04 -1.22 -1.42 113.70 114.95 2xcf s SER 91 Ca 0.00 -1.10 -0.02 0.00 0.48 0.00 0.00 55.95 55.31 2xcf s SER 91 Cb 0.00 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 2xcf s SER 91 CO 0.00 -0.14 0.01 0.00 0.98 0.00 0.00 173.24 174.08 2xcf s ARG 92 N -3.61 0.69 -0.09 4.02 1.70 -1.02 -4.74 118.95 115.90 2xcf s ARG 92 Ca 0.29 -1.24 -0.11 0.00 -0.47 0.00 0.00 55.73 54.20 2xcf s ARG 92 Cb -0.01 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 2xcf s ARG 92 CO 0.13 -0.15 0.27 -1.12 -1.08 0.00 0.00 175.30 173.35 2xcf s SER 93 N -2.94 6.53 0.47 -2.89 0.01 -1.26 -4.09 113.70 109.54 2xcf s SER 93 Ca 0.10 0.63 -0.23 0.00 1.31 0.00 0.00 55.95 57.76 2xcf s SER 93 Cb 0.08 -2.16 -0.07 0.00 0.21 0.00 0.00 66.02 64.08 2xcf s SER 93 CO -0.08 0.29 1.19 -0.76 0.41 0.00 0.00 173.24 174.29 2xcf s LEU 94 N -0.60 3.99 0.06 2.44 1.43 0.37 -4.86 118.68 121.51 2xcf s LEU 94 Ca 0.18 2.37 -0.20 0.00 -1.03 0.00 0.00 54.13 55.45 2xcf s LEU 94 Cb -0.14 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.77 2xcf s LEU 94 CO 0.07 -1.00 0.58 -0.89 0.23 0.00 0.00 176.35 175.34 2xcf s THR 95 N -1.51 4.77 0.48 5.49 2.01 -1.26 -3.45 115.64 122.17 2xcf s THR 95 Ca 0.65 1.24 -0.23 0.00 0.31 0.00 0.00 61.69 63.66 2xcf s THR 95 Cb -0.30 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 2xcf s THR 95 CO 0.36 0.52 1.25 -2.84 -0.69 0.00 0.00 174.62 173.22 2xcf s PRO 96 N -0.86 3.60 0.24 4.92 0.02 -1.26 -0.19 135.00 141.48 2xcf s PRO 96 Ca 0.30 1.99 -0.30 0.00 0.02 0.00 0.00 61.00 63.01 2xcf s PRO 96 Cb -0.19 -2.43 -0.10 0.00 0.02 0.00 0.00 34.50 31.80 2xcf s PRO 96 CO 0.19 -0.74 1.52 0.00 -0.33 0.00 0.00 177.00 177.63 2xcf n THR 98 N 2.67 0.97 0.96 0.00 -2.24 -1.26 -4.77 114.28 110.61 2xcf n THR 98 Ca 0.09 -0.98 0.10 0.00 -2.27 0.00 0.00 64.05 60.99 2xcf n THR 98 Cb 0.39 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 2xcf n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xcf n GLY 100 N 1.40 1.43 3.72 0.00 0.00 -1.26 -4.96 105.19 105.52 2xcf n GLY 100 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2xcf n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xcf s SER 101 N -2.50 3.78 0.00 1.61 0.15 -1.26 -4.97 113.70 110.51 2xcf s SER 101 Ca 0.00 1.95 0.08 0.00 0.70 0.00 0.00 55.95 58.68 2xcf s SER 101 Cb 0.00 -2.52 0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2xcf s SER 101 CO 0.00 -2.52 0.69 -1.20 1.20 0.00 0.00 173.24 171.42 2xcf n SER 102 N -3.84 1.48 -4.52 5.45 7.64 -1.26 -4.88 113.62 113.68 2xcf n SER 102 Ca 0.10 -1.24 -0.43 0.00 1.01 0.00 0.00 58.87 58.31 2xcf n SER 102 Cb 0.53 0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.81 2xcf n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2xcf s ASP 103 N -0.82 6.35 0.33 6.43 1.01 -1.26 -0.93 116.67 127.78 2xcf s ASP 103 Ca 0.08 -0.27 0.09 0.00 0.71 0.00 0.00 52.55 53.16 2xcf s ASP 103 Cb 0.07 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 2xcf s ASP 103 CO 0.13 -0.82 0.07 -0.76 0.21 0.00 0.00 175.17 174.00 2xcf s LEU 104 N 2.95 3.14 -0.08 1.23 1.43 0.41 -3.80 118.68 123.96 2xcf s LEU 104 Ca 0.25 -0.84 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2xcf s LEU 104 Cb -0.14 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.55 2xcf s LEU 104 CO 0.20 -0.23 0.15 -0.31 0.23 0.00 0.00 176.35 176.39 2xcf s TYR 105 N -2.45 -0.16 -0.06 0.29 1.51 0.61 -1.28 117.35 115.81 2xcf s TYR 105 Ca 0.36 0.57 -0.13 0.00 -1.01 0.00 0.00 57.07 56.85 2xcf s TYR 105 Cb -0.02 -0.26 -0.05 0.00 -0.11 0.00 0.00 41.96 41.52 2xcf s TYR 105 CO 0.21 -0.25 0.33 -1.17 -1.11 0.00 0.00 175.55 173.55 2xcf s LEU 106 N 2.17 4.40 -0.10 -1.29 0.20 0.18 -0.32 118.68 123.92 2xcf s LEU 106 Ca 0.02 0.76 0.01 0.00 0.69 0.00 0.00 54.13 55.60 2xcf s LEU 106 Cb -0.12 -2.43 -0.02 0.00 -0.43 0.00 0.00 46.19 43.19 2xcf s LEU 106 CO -0.05 0.29 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.49 2xcf s VAL 107 N -0.71 3.23 0.45 1.68 1.01 -1.13 -0.84 120.40 124.08 2xcf s VAL 107 Ca 0.20 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.64 2xcf s VAL 107 Cb -0.15 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2xcf s VAL 107 CO 0.09 0.55 0.49 0.42 0.00 0.00 0.00 175.10 176.65 2xcf s THR 108 N -0.09 2.62 -0.33 3.92 -4.23 -0.84 -4.36 115.64 112.33 2xcf s THR 108 Ca -0.01 -1.21 0.22 0.00 -1.18 0.00 0.00 61.69 59.50 2xcf s THR 108 Cb -0.14 -2.83 0.22 0.00 1.34 0.00 0.00 72.50 71.10 2xcf s THR 108 CO 0.03 0.00 1.66 -2.11 -0.54 0.00 0.00 174.62 173.67 2xcf n ARG 109 N -1.74 0.16 -0.06 3.99 1.85 -1.26 -0.58 116.66 119.01 2xcf n ARG 109 Ca 0.06 0.55 0.12 0.00 -1.00 0.00 0.00 57.85 57.58 2xcf n ARG 109 Cb 0.61 -1.91 0.29 0.00 -1.05 0.00 0.00 32.46 30.40 2xcf n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2xcf n HIS 110 N -2.23 0.16 -1.55 2.89 8.25 -1.26 -4.94 115.22 116.54 2xcf n HIS 110 Ca -0.00 -0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 2xcf n HIS 110 Cb 0.11 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 2xcf n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xcf n ALA 111 N 0.88 -0.20 -1.82 -1.41 0.00 0.25 -5.04 120.51 113.18 2xcf n ALA 111 Ca 0.17 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 2xcf n ALA 111 Cb 0.49 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 2xcf n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2xcf s ASP 112 N -2.79 6.74 -0.17 0.00 1.01 -1.26 -4.83 116.67 115.37 2xcf s ASP 112 Ca 0.00 1.69 -0.01 0.00 0.71 0.00 0.00 52.55 54.94 2xcf s ASP 112 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2xcf s ASP 112 CO 0.00 -0.50 -0.11 -0.69 0.21 0.00 0.00 175.17 174.08 2xcf s VAL 113 N -2.29 3.07 -0.21 -1.27 1.01 -1.26 -1.98 120.40 117.47 2xcf s VAL 113 Ca 0.62 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2xcf s VAL 113 Cb -0.10 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.98 2xcf s VAL 113 CO 0.20 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 175.01 2xcf s ILE 114 N 0.84 2.03 0.33 2.22 1.01 -0.02 -4.94 121.20 122.66 2xcf s ILE 114 Ca -0.03 -1.20 -0.28 0.00 0.00 0.00 0.00 60.65 59.14 2xcf s ILE 114 Cb -0.15 -1.98 -0.10 0.00 0.01 0.00 0.00 42.46 40.24 2xcf s ILE 114 CO 0.01 0.28 1.25 -2.84 0.00 0.00 0.00 174.94 173.63 2xcf s PRO 115 N 1.24 4.37 -0.04 2.79 0.02 -1.26 -0.65 135.00 141.47 2xcf s PRO 115 Ca -0.01 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.08 2xcf s PRO 115 Cb -0.16 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.34 2xcf s PRO 115 CO -0.09 -0.13 0.09 0.08 -0.33 0.00 0.00 177.00 176.62 2xcf s VAL 116 N -1.18 -0.04 -0.16 3.83 1.01 -0.40 -1.96 120.40 121.50 2xcf s VAL 116 Ca 0.49 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 2xcf s VAL 116 Cb -0.37 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2xcf s VAL 116 CO 0.49 0.05 0.27 -0.60 0.00 0.00 0.00 175.10 175.32 2xcf s ARG 117 N 0.78 4.22 0.07 2.72 6.06 0.04 -0.45 118.95 132.39 2xcf s ARG 117 Ca -0.06 0.06 -0.30 0.00 -2.50 0.00 0.00 55.73 52.93 2xcf s ARG 117 Cb -0.08 -3.41 -0.06 0.00 0.06 0.00 0.00 34.95 31.46 2xcf s ARG 117 CO -0.03 0.27 1.15 0.50 -2.50 0.00 0.00 175.30 174.69 2xcf s ARG 118 N 0.37 4.48 0.00 5.12 3.52 -0.11 -0.40 118.95 131.93 2xcf s ARG 118 Ca 0.16 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.47 2xcf s ARG 118 Cb -0.13 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 2xcf s ARG 118 CO 0.03 -0.17 0.00 0.54 -0.81 0.00 0.00 175.30 174.89 2xcf n ARG 119 N 3.67 0.00 -0.70 5.12 5.12 -0.31 -4.94 116.66 124.62 2xcf n ARG 119 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2xcf n ARG 119 Cb 0.47 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 2xcf n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xcf n GLY 120 N 1.96 3.86 0.36 -0.13 0.00 -1.16 -4.98 105.19 105.10 2xcf n GLY 120 Ca 0.00 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 44.00 2xcf n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2xcf h ASP 121 N 0.00 0.89 0.00 1.61 3.32 -1.99 -3.22 116.42 117.03 2xcf h ASP 121 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2xcf h ASP 121 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2xcf h ASP 121 CO 0.00 0.45 -0.28 -1.54 -1.72 0.00 0.00 179.24 176.15 2xcf n SER 122 N -4.63 0.96 -4.08 6.45 3.41 -1.26 -4.59 113.62 109.89 2xcf n SER 122 Ca 0.19 -2.41 -0.17 0.00 -0.26 0.00 0.00 58.87 56.22 2xcf n SER 122 Cb 0.39 -0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 2xcf n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2xcf s ARG 123 N -1.16 0.72 0.10 4.33 6.06 -1.22 -0.81 118.95 126.98 2xcf s ARG 123 Ca 0.13 -0.62 -0.14 0.00 -2.50 0.00 0.00 55.73 52.60 2xcf s ARG 123 Cb 0.11 -0.66 0.02 0.00 0.06 0.00 0.00 34.95 34.49 2xcf s ARG 123 CO 0.01 0.16 0.32 0.20 -2.50 0.00 0.00 175.30 173.49 2xcf s GLY 124 N -1.00 -0.14 -0.00 8.12 0.00 -0.61 -1.16 107.32 112.53 2xcf s GLY 124 Ca -0.01 -0.20 0.07 0.00 0.00 0.00 0.00 44.72 44.58 2xcf s GLY 124 CO 0.01 -0.44 -0.23 -1.35 0.00 0.00 0.00 173.10 171.09 2xcf s SER 125 N -2.69 3.37 0.47 1.64 1.04 0.46 0.95 113.70 118.94 2xcf s SER 125 Ca 0.02 -0.43 -0.23 0.00 0.48 0.00 0.00 55.95 55.78 2xcf s SER 125 Cb 0.02 -0.47 -0.07 0.00 0.10 0.00 0.00 66.02 65.61 2xcf s SER 125 CO -0.10 0.30 1.27 -0.76 0.98 0.00 0.00 173.24 174.93 2xcf s LEU 126 N -0.88 4.02 0.28 2.42 1.43 -0.66 -0.78 118.68 124.51 2xcf s LEU 126 Ca 0.11 2.56 0.12 0.00 -1.03 0.00 0.00 54.13 55.89 2xcf s LEU 126 Cb -0.10 -4.15 0.38 0.00 0.03 0.00 0.00 46.19 42.34 2xcf s LEU 126 CO 0.01 -1.11 1.61 -0.07 0.23 0.00 0.00 176.35 177.01 2xcf h LEU 127 N 2.03 0.00 -6.89 1.79 3.38 -1.74 -3.41 115.31 110.48 2xcf h LEU 127 Ca -0.50 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.93 2xcf h LEU 127 Cb 1.26 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.61 2xcf h LEU 127 CO 0.60 0.59 -0.77 -0.44 0.09 0.00 0.00 178.44 178.50 2xcf s SER 128 N -6.73 3.68 0.56 -0.43 0.01 -1.26 -5.13 113.70 104.40 2xcf s SER 128 Ca -0.01 -1.39 -0.20 0.00 1.31 0.00 0.00 55.95 55.66 2xcf s SER 128 Cb 0.12 -0.49 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 2xcf s SER 128 CO 0.75 -0.43 1.11 -2.65 0.41 0.00 0.00 173.24 172.42 2xcf n PRO 129 N 5.13 1.21 -4.19 12.44 -0.02 -1.26 -5.02 135.00 143.28 2xcf n PRO 129 Ca -0.05 0.45 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 2xcf n PRO 129 Cb 0.42 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 2xcf n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2xcf s ARG 130 N -2.73 0.90 0.49 -0.52 1.81 -0.98 -4.97 118.95 112.94 2xcf s ARG 130 Ca 0.73 -1.28 -0.22 0.00 -1.72 0.00 0.00 55.73 53.24 2xcf s ARG 130 Cb -0.43 -0.47 -0.08 0.00 -0.45 0.00 0.00 34.95 33.52 2xcf s ARG 130 CO 0.49 0.05 0.96 -0.35 -0.68 0.00 0.00 175.30 175.77 2xcf n PRO 131 N 0.20 1.16 -0.29 3.54 -0.04 -1.26 -0.51 135.00 137.79 2xcf n PRO 131 Ca -0.13 0.43 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 2xcf n PRO 131 Cb 0.59 -2.07 0.22 0.00 -0.04 0.00 0.00 33.50 32.20 2xcf n PRO 131 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2xcf h ILE 132 N 1.11 1.13 -0.14 0.52 2.10 -1.49 -1.84 117.51 118.91 2xcf h ILE 132 Ca -0.46 -0.37 0.04 0.00 1.08 0.00 0.00 64.86 65.15 2xcf h ILE 132 Cb 1.35 -0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.03 2xcf h ILE 132 CO 0.54 0.20 0.36 0.77 -1.08 0.00 0.00 178.15 178.94 2xcf h SER 133 N 1.08 0.00 0.21 2.19 4.64 -1.90 0.10 113.55 119.88 2xcf h SER 133 Ca 0.36 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.56 2xcf h SER 133 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2xcf h SER 133 CO -0.11 0.00 -0.43 0.22 -0.87 0.00 0.00 176.83 175.63 2xcf h TYR 134 N 0.00 0.33 -0.01 4.77 5.03 -1.68 -3.13 116.97 122.29 2xcf h TYR 134 Ca 0.07 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.28 2xcf h TYR 134 Cb 0.78 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.99 2xcf h TYR 134 CO 0.00 0.67 -0.51 1.28 -1.32 0.00 0.00 178.16 178.29 2xcf n LEU 135 N -4.01 1.31 -4.74 2.82 4.77 -0.01 -4.92 117.00 112.21 2xcf n LEU 135 Ca -0.02 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 2xcf n LEU 135 Cb 0.50 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2xcf n LEU 135 CO 0.42 0.26 1.20 -0.75 -1.33 0.00 0.00 177.39 177.19 2xcf s LYS 136 N -2.65 4.19 -0.00 3.23 2.20 -0.97 -2.45 119.74 123.29 2xcf s LYS 136 Ca 0.17 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.23 2xcf s LYS 136 Cb 0.18 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2xcf s LYS 136 CO 0.63 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 2xcf n GLY 137 N 2.47 0.39 0.29 5.54 0.00 -1.26 -4.85 105.19 107.77 2xcf n GLY 137 Ca 0.09 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.14 2xcf n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2xcf n SER 138 N 1.83 1.54 -4.74 1.61 7.64 -1.02 -3.97 113.62 116.49 2xcf n SER 138 Ca -0.00 -1.27 -0.42 0.00 1.01 0.00 0.00 58.87 58.20 2xcf n SER 138 Cb 0.00 0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 2xcf n SER 138 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xcf s ALA 139 N -0.80 3.76 0.00 -0.43 0.00 -1.26 -1.47 121.76 121.56 2xcf s ALA 139 Ca 0.09 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2xcf s ALA 139 Cb 0.07 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2xcf s ALA 139 CO 0.13 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2xcf n GLY 140 N 2.53 0.56 3.90 0.00 0.00 0.31 -1.07 105.19 111.42 2xcf n GLY 140 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2xcf n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xcf s GLY 141 N -2.06 1.61 0.29 -0.02 0.00 -0.54 -3.05 107.32 103.55 2xcf s GLY 141 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 2xcf s GLY 141 CO 0.00 -0.21 0.52 2.56 0.00 0.00 0.00 173.10 175.97 2xcf s PRO 142 N -5.51 3.55 -0.21 2.90 0.04 -1.26 -0.84 135.00 133.68 2xcf s PRO 142 Ca 0.61 -0.19 -0.07 0.00 0.04 0.00 0.00 61.00 61.40 2xcf s PRO 142 Cb -0.11 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 2xcf s PRO 142 CO 0.48 0.22 0.04 -0.51 0.04 0.00 0.00 177.00 177.28 2xcf s LEU 143 N -3.80 3.52 0.07 -3.56 1.02 0.02 -2.84 118.68 113.12 2xcf s LEU 143 Ca 0.41 -0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.51 2xcf s LEU 143 Cb -0.10 -1.91 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 2xcf s LEU 143 CO 0.32 0.08 0.05 -0.76 0.02 0.00 0.00 176.35 176.06 2xcf s LEU 144 N 0.91 3.67 0.00 1.79 1.43 0.56 0.29 118.68 127.32 2xcf s LEU 144 Ca 0.03 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2xcf s LEU 144 Cb -0.14 -2.33 0.15 0.00 0.03 0.00 0.00 46.19 43.89 2xcf s LEU 144 CO 0.02 0.19 0.96 0.00 0.23 0.00 0.00 176.35 177.76 2xcf h PRO 146 N 0.00 0.00 -0.00 0.00 0.11 -1.92 -0.61 132.00 129.58 2xcf h PRO 146 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2xcf h PRO 146 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2xcf h PRO 146 CO 0.30 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.05 2xcf n ALA 147 N -2.31 2.49 -0.92 -0.75 0.00 -1.26 -4.91 120.51 112.85 2xcf n ALA 147 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2xcf n ALA 147 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2xcf n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xcf n GLY 148 N 1.39 0.53 3.93 0.00 0.00 -0.24 -5.06 105.19 105.74 2xcf n GLY 148 Ca 0.11 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2xcf n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xcf s HIS 149 N -2.00 3.21 -0.07 1.61 3.76 -1.26 -4.80 115.29 115.73 2xcf s HIS 149 Ca 0.00 0.49 -0.23 0.00 -0.15 0.00 0.00 55.06 55.17 2xcf s HIS 149 Cb 0.00 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 2xcf s HIS 149 CO 0.00 -0.74 0.70 0.00 -0.85 0.00 0.00 174.74 173.85 2xcf s ALA 150 N -2.88 3.35 -0.17 -1.40 0.00 0.74 -1.98 121.76 119.41 2xcf s ALA 150 Ca 0.53 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.69 2xcf s ALA 150 Cb -0.10 -2.96 -0.16 0.00 0.00 0.00 0.00 23.12 19.90 2xcf s ALA 150 CO 0.43 -0.13 -0.04 0.28 0.00 0.00 0.00 175.76 176.30 2xcf n VAL 151 N 3.83 1.07 -3.83 0.00 0.31 0.14 0.08 118.33 119.93 2xcf n VAL 151 Ca -0.01 -0.55 -0.01 0.00 -0.01 0.00 0.00 64.34 63.76 2xcf n VAL 151 Cb 0.51 -0.84 0.01 0.00 -0.91 0.00 0.00 33.84 32.61 2xcf n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2xcf s GLY 152 N -5.29 -0.11 -0.16 2.92 0.00 -1.16 -1.24 107.32 102.28 2xcf s GLY 152 Ca -0.15 0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 2xcf s GLY 152 CO 0.55 2.33 -0.05 1.08 0.00 0.00 0.00 173.10 177.01 2xcf s LEU 153 N -3.34 3.13 -0.04 0.66 1.43 -0.58 -0.80 118.68 119.13 2xcf s LEU 153 Ca 0.21 -0.19 -0.31 0.00 -1.03 0.00 0.00 54.13 52.81 2xcf s LEU 153 Cb -0.00 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 2xcf s LEU 153 CO 0.01 0.15 2.01 0.33 0.23 0.00 0.00 176.35 179.08 2xcf n PHE 154 N 3.67 2.36 -0.12 0.29 7.35 -0.02 -0.41 117.46 130.59 2xcf n PHE 154 Ca -0.18 -0.25 -0.24 0.00 -0.76 0.00 0.00 57.45 56.02 2xcf n PHE 154 Cb 0.52 -2.76 -0.10 0.00 0.35 0.00 0.00 39.48 37.49 2xcf n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2xcf n ARG 155 N 7.63 0.57 -3.56 -4.13 0.63 0.30 -0.53 116.66 117.56 2xcf n ARG 155 Ca 0.23 0.42 -0.14 0.00 -0.92 0.00 0.00 57.85 57.44 2xcf n ARG 155 Cb 0.39 -1.62 -0.06 0.00 0.45 0.00 0.00 32.46 31.62 2xcf n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2xcf s ALA 156 N -2.47 -1.85 0.14 5.13 0.00 -0.68 -4.82 121.76 117.22 2xcf s ALA 156 Ca -0.33 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 2xcf s ALA 156 Cb 0.10 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.61 2xcf s ALA 156 CO 0.52 -0.33 1.28 0.00 0.00 0.00 0.00 175.76 177.23 2xcf s ALA 157 N -0.86 3.49 -0.44 0.00 0.00 -1.26 0.42 121.76 123.12 2xcf s ALA 157 Ca -0.05 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 2xcf s ALA 157 Cb -0.01 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.67 2xcf s ALA 157 CO 0.04 -0.49 0.52 0.08 0.00 0.00 0.00 175.76 175.91 2xcf s VAL 158 N 0.56 4.99 -0.09 0.00 1.01 -0.15 -4.86 120.40 121.85 2xcf s VAL 158 Ca 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 2xcf s VAL 158 Cb -0.34 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2xcf s VAL 158 CO 0.34 -0.52 -0.02 0.00 0.00 0.00 0.00 175.10 174.89 2xcf s THR 160 N -0.73 1.62 -0.98 0.00 2.01 -0.46 -4.91 115.64 112.19 2xcf s THR 160 Ca 0.11 -1.51 -0.11 0.00 0.31 0.00 0.00 61.69 60.50 2xcf s THR 160 Cb -0.11 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2xcf s THR 160 CO 0.02 -0.29 0.77 0.54 -0.69 0.00 0.00 174.62 174.96 2xcf n ARG 161 N 4.60 -1.45 -1.11 4.92 1.74 -1.26 -2.21 116.66 121.89 2xcf n ARG 161 Ca -0.07 0.81 -0.04 0.00 -0.77 0.00 0.00 57.85 57.78 2xcf n ARG 161 Cb 0.43 -4.51 -0.02 0.00 -1.02 0.00 0.00 32.46 27.35 2xcf n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xcf n GLY 162 N -1.63 0.50 2.96 -0.13 0.00 -1.26 -4.98 105.19 100.65 2xcf n GLY 162 Ca -0.10 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2xcf n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xcf s VAL 163 N -1.61 1.30 -0.21 1.61 1.01 -0.94 -1.19 120.40 120.38 2xcf s VAL 163 Ca 0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 2xcf s VAL 163 Cb 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2xcf s VAL 163 CO 0.00 0.38 0.84 0.00 0.00 0.00 0.00 175.10 176.32 2xcf s ALA 164 N 1.59 3.59 -0.01 5.51 0.00 0.33 -1.35 121.76 131.42 2xcf s ALA 164 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2xcf s ALA 164 Cb -0.13 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2xcf s ALA 164 CO -0.09 -0.79 0.05 1.63 0.00 0.00 0.00 175.76 176.55 2xcf n LYS 165 N 5.64 0.49 -4.14 0.00 5.02 -0.87 -2.33 118.16 121.97 2xcf n LYS 165 Ca 0.05 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 2xcf n LYS 165 Cb 0.48 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 34.37 2xcf n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2xcf s ALA 166 N -2.15 0.92 0.01 7.82 0.00 -1.14 -1.66 121.76 125.55 2xcf s ALA 166 Ca -0.01 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2xcf s ALA 166 Cb 0.01 1.27 -0.01 0.00 0.00 0.00 0.00 23.12 24.40 2xcf s ALA 166 CO 0.10 -0.72 -0.06 0.14 0.00 0.00 0.00 175.76 175.22 2xcf s VAL 167 N -3.63 0.45 -0.16 0.00 -7.23 0.27 -0.98 120.40 109.11 2xcf s VAL 167 Ca 0.34 -0.40 -0.09 0.00 -1.81 0.00 0.00 61.98 60.02 2xcf s VAL 167 Cb 0.02 -0.41 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 2xcf s VAL 167 CO 0.17 0.02 0.15 -0.62 -0.31 0.00 0.00 175.10 174.51 2xcf s ASP 168 N -0.42 6.32 0.04 4.85 2.15 0.17 -1.57 116.67 128.21 2xcf s ASP 168 Ca -0.00 0.37 -0.01 0.00 0.43 0.00 0.00 52.55 53.33 2xcf s ASP 168 Cb -0.04 -2.09 -0.03 0.00 -0.30 0.00 0.00 42.92 40.46 2xcf s ASP 168 CO -0.00 0.28 -0.01 0.72 -0.17 0.00 0.00 175.17 175.99 2xcf s PHE 169 N -0.28 0.41 -0.46 -5.34 -0.12 0.01 -0.54 117.98 111.66 2xcf s PHE 169 Ca 0.12 -0.87 -0.25 0.00 -0.05 0.00 0.00 56.93 55.88 2xcf s PHE 169 Cb -0.12 -0.31 0.03 0.00 -0.63 0.00 0.00 43.02 41.99 2xcf s PHE 169 CO 0.01 -0.33 0.90 0.42 -0.05 0.00 0.00 175.22 176.17 2xcf s ILE 170 N -3.16 4.50 0.48 -4.49 1.01 0.46 -4.56 121.20 115.44 2xcf s ILE 170 Ca -0.00 0.66 -0.24 0.00 0.00 0.00 0.00 60.65 61.07 2xcf s ILE 170 Cb 0.02 -4.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 2xcf s ILE 170 CO -0.07 -0.83 1.35 -2.16 0.00 0.00 0.00 174.94 173.23 2xcf s PRO 171 N 3.68 3.52 0.55 2.79 0.04 -1.26 -1.52 135.00 142.80 2xcf s PRO 171 Ca 0.35 2.22 0.22 0.00 0.04 0.00 0.00 61.00 63.83 2xcf s PRO 171 Cb -0.11 -2.48 1.49 0.00 0.04 0.00 0.00 34.50 33.44 2xcf s PRO 171 CO 0.25 -0.88 2.18 -0.24 0.04 0.00 0.00 177.00 178.36 2xcf h VAL 172 N 1.93 0.80 -0.67 -0.36 3.04 -1.50 -1.64 116.25 117.85 2xcf h VAL 172 Ca -0.50 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.30 2xcf h VAL 172 Cb 1.27 0.98 -0.08 0.00 -2.01 0.00 0.00 31.29 31.45 2xcf h VAL 172 CO 0.60 0.00 0.24 -0.33 -1.01 0.00 0.00 177.57 177.07 2xcf h GLU 173 N 0.00 0.39 -0.25 4.17 3.07 -1.89 -1.29 114.58 118.77 2xcf h GLU 173 Ca 0.01 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2xcf h GLU 173 Cb 0.06 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2xcf h GLU 173 CO -0.00 0.26 0.17 -0.91 -1.40 0.00 0.00 179.01 177.12 2xcf h ASN 174 N 0.40 0.25 -0.12 1.42 -0.26 -1.65 0.25 115.58 115.87 2xcf h ASN 174 Ca 0.35 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 56.00 2xcf h ASN 174 Cb 0.49 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 2xcf h ASN 174 CO -0.36 0.17 -0.24 -0.07 -1.06 0.00 0.00 177.43 175.87 2xcf h LEU 175 N 0.29 0.41 -1.12 1.61 3.38 -1.39 -1.90 115.31 116.59 2xcf h LEU 175 Ca 0.10 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.58 2xcf h LEU 175 Cb 0.04 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2xcf h LEU 175 CO -0.02 0.90 0.60 -0.33 0.09 0.00 0.00 178.44 179.68 2xcf h GLU 176 N -0.06 1.01 0.18 1.13 5.08 -0.24 -2.32 114.58 119.35 2xcf h GLU 176 Ca 0.00 -0.06 -0.30 0.00 -1.00 0.00 0.00 59.36 58.00 2xcf h GLU 176 Cb 0.83 -0.23 0.02 0.00 0.50 0.00 0.00 28.75 29.87 2xcf h GLU 176 CO 0.05 0.67 -1.36 1.79 -1.00 0.00 0.00 179.01 179.16 2xcf h THR 177 N 1.04 1.39 -0.88 1.13 1.35 -1.00 -3.23 112.91 112.71 2xcf h THR 177 Ca 0.41 -2.91 0.19 0.00 -0.55 0.00 0.00 66.41 63.55 2xcf h THR 177 Cb 0.23 2.97 -0.11 0.00 -1.73 0.00 0.00 68.15 69.51 2xcf h THR 177 CO -0.16 0.86 0.41 0.74 -0.25 0.00 0.00 175.52 177.12 2xcf h THR 178 N 0.10 0.58 0.00 6.82 2.02 -1.12 0.30 112.91 121.61 2xcf h THR 178 Ca -0.19 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2xcf h THR 178 Cb 2.05 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2xcf h THR 178 CO 0.23 0.09 0.00 0.23 0.37 0.00 0.00 175.52 176.44 2xcf n MET 179 N -4.97 0.06 0.00 6.66 2.00 -0.89 -5.07 117.12 114.91 2xcf n MET 179 Ca 0.20 0.46 0.01 0.00 0.00 0.00 0.00 57.70 58.38 2xcf n MET 179 Cb 0.56 -1.66 0.01 0.00 0.00 0.00 0.00 33.22 32.13 2xcf n MET 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51