#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xcn s VAL 29 N 0.00 3.99 -0.06 -0.39 1.01 -1.26 -5.05 120.40 118.64 2xcn s VAL 29 Ca 0.00 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.02 2xcn s VAL 29 Cb 0.00 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2xcn s VAL 29 CO 0.00 0.47 -0.17 -1.61 0.00 0.00 0.00 175.10 173.80 2xcn s GLU 30 N -1.24 2.57 -0.05 2.72 2.02 -1.26 -4.93 118.70 118.52 2xcn s GLU 30 Ca 0.42 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.62 2xcn s GLU 30 Cb -0.27 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 2xcn s GLU 30 CO 0.33 0.54 0.17 0.20 0.02 0.00 0.00 175.26 176.52 2xcn s GLY 31 N -0.53 2.17 0.21 -1.39 0.00 -1.10 -4.73 107.32 101.95 2xcn s GLY 31 Ca 0.07 -0.71 0.15 0.00 0.00 0.00 0.00 44.72 44.22 2xcn s GLY 31 CO 0.01 -0.54 1.28 0.83 0.00 0.00 0.00 173.10 174.68 2xcn h GLU 32 N 4.26 0.00 -5.06 2.90 3.07 -1.90 -2.45 114.58 115.40 2xcn h GLU 32 Ca -0.51 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 57.69 2xcn h GLU 32 Cb 1.20 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.77 2xcn h GLU 32 CO 0.65 0.50 -0.86 0.08 -1.40 0.00 0.00 179.01 177.98 2xcn s VAL 33 N -2.93 1.98 -0.07 3.13 1.01 -1.26 -1.32 120.40 120.94 2xcn s VAL 33 Ca 0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2xcn s VAL 33 Cb 0.08 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2xcn s VAL 33 CO 0.77 0.53 0.14 -1.10 0.00 0.00 0.00 175.10 175.44 2xcn s GLN 34 N 1.11 3.36 -0.33 2.72 1.11 -0.24 -4.96 119.66 122.43 2xcn s GLN 34 Ca -0.00 -0.25 -0.15 0.00 0.01 0.00 0.00 55.36 54.97 2xcn s GLN 34 Cb -0.14 -3.09 -0.02 0.00 -1.01 0.00 0.00 33.01 28.75 2xcn s GLN 34 CO -0.08 0.73 0.35 0.42 0.01 0.00 0.00 175.29 176.72 2xcn s ILE 35 N -1.13 5.18 0.35 1.08 1.01 -1.26 -0.97 121.20 125.45 2xcn s ILE 35 Ca 0.20 0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.04 2xcn s ILE 35 Cb -0.12 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 2xcn s ILE 35 CO 0.10 -0.04 -0.06 0.68 0.00 0.00 0.00 174.94 175.62 2xcn s VAL 36 N 2.00 2.03 -0.13 2.92 -7.23 0.70 -5.00 120.40 115.70 2xcn s VAL 36 Ca 0.12 -2.13 -0.09 0.00 -1.81 0.00 0.00 61.98 58.07 2xcn s VAL 36 Cb -0.16 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.11 2xcn s VAL 36 CO 0.11 -0.16 0.32 -0.44 -0.31 0.00 0.00 175.10 174.63 2xcn s SER 37 N -3.60 -0.36 0.41 4.85 0.01 -1.26 -0.75 113.70 113.00 2xcn s SER 37 Ca 0.33 0.68 0.01 0.00 1.31 0.00 0.00 55.95 58.28 2xcn s SER 37 Cb 0.05 0.61 0.05 0.00 0.21 0.00 0.00 66.02 66.93 2xcn s SER 37 CO 0.16 -0.15 0.35 0.35 0.41 0.00 0.00 173.24 174.36 2xcn n THR 38 N 3.71 0.00 -0.14 1.44 -2.24 -0.84 -5.02 114.28 111.19 2xcn n THR 38 Ca -0.20 -0.65 -0.09 0.00 -2.27 0.00 0.00 64.05 60.85 2xcn n THR 38 Cb 0.56 -1.06 0.06 0.00 -2.10 0.00 0.00 70.33 67.79 2xcn n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xcn h ALA 39 N -0.19 0.84 -0.25 6.98 0.00 -2.01 -3.39 119.26 121.23 2xcn h ALA 39 Ca -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2xcn h ALA 39 Cb 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2xcn h ALA 39 CO 0.14 0.65 0.00 0.25 0.00 0.00 0.00 179.25 180.29 2xcn n THR 40 N -4.14 0.00 -2.51 0.00 -2.24 -1.26 -5.03 114.28 99.11 2xcn n THR 40 Ca 0.01 0.46 -0.24 0.00 -2.27 0.00 0.00 64.05 62.01 2xcn n THR 40 Cb 0.41 -1.39 0.10 0.00 -2.10 0.00 0.00 70.33 67.35 2xcn n THR 40 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2xcn s GLN 41 N -0.92 1.73 -0.10 -0.78 1.11 -1.26 -5.12 119.66 114.32 2xcn s GLN 41 Ca 0.00 -0.95 -0.04 0.00 0.01 0.00 0.00 55.36 54.38 2xcn s GLN 41 Cb 0.00 -2.30 0.05 0.00 -1.01 0.00 0.00 33.01 29.76 2xcn s GLN 41 CO 0.00 -1.43 0.21 -0.08 0.01 0.00 0.00 175.29 174.00 2xcn s THR 42 N -3.17 -0.24 0.00 -0.19 -1.32 -1.26 -1.99 115.64 107.46 2xcn s THR 42 Ca 0.65 0.26 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 2xcn s THR 42 Cb -0.06 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 2xcn s THR 42 CO 0.44 0.11 0.00 2.22 -2.21 0.00 0.00 174.62 175.18 2xcn n PHE 43 N 4.97 -0.49 -4.33 9.09 -1.74 0.07 -4.31 117.46 120.72 2xcn n PHE 43 Ca -0.12 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.50 2xcn n PHE 43 Cb 0.51 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.41 2xcn n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2xcn s LEU 44 N 0.00 2.83 0.11 5.98 1.43 -0.65 -0.21 118.68 128.17 2xcn s LEU 44 Ca 0.00 -0.68 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 2xcn s LEU 44 Cb 0.00 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2xcn s LEU 44 CO 0.00 0.10 -0.10 0.00 0.23 0.00 0.00 176.35 176.57 2xcn s ALA 45 N -1.79 1.24 -0.03 4.21 0.00 -0.14 -4.16 121.76 121.09 2xcn s ALA 45 Ca 0.25 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2xcn s ALA 45 Cb -0.08 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.10 2xcn s ALA 45 CO 0.14 -0.05 0.01 0.99 0.00 0.00 0.00 175.76 176.84 2xcn s THR 46 N -2.75 0.15 -0.15 0.00 2.01 0.21 -1.08 115.64 114.02 2xcn s THR 46 Ca 0.10 0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 2xcn s THR 46 Cb -0.01 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 2xcn s THR 46 CO 0.00 0.14 0.72 0.00 -0.69 0.00 0.00 174.62 174.79 2xcn s ILE 48 N 1.69 0.27 -1.48 0.00 1.01 0.35 -1.21 121.20 121.83 2xcn s ILE 48 Ca 0.34 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.95 2xcn s ILE 48 Cb -0.17 -0.34 0.05 0.00 0.01 0.00 0.00 42.46 42.01 2xcn s ILE 48 CO 0.13 0.16 0.65 0.59 0.00 0.00 0.00 174.94 176.47 2xcn n ASN 49 N 4.07 -1.91 0.00 3.58 5.03 -1.12 -1.87 115.26 123.03 2xcn n ASN 49 Ca -0.26 -0.94 0.00 0.00 0.87 0.00 0.00 54.58 54.25 2xcn n ASN 49 Cb 0.51 -3.29 0.00 0.00 -1.02 0.00 0.00 39.78 35.97 2xcn n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2xcn n GLY 50 N -1.74 2.39 3.48 7.41 0.00 -1.26 -5.00 105.19 110.46 2xcn n GLY 50 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2xcn n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xcn s VAL 51 N -2.81 3.47 -0.65 1.61 1.01 -0.78 -1.66 120.40 120.59 2xcn s VAL 51 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2xcn s VAL 51 Cb 0.00 -2.46 0.13 0.00 0.00 0.00 0.00 36.38 34.05 2xcn s VAL 51 CO 0.00 0.54 0.73 0.00 0.00 0.00 0.00 175.10 176.37 2xcn s TRP 53 N 2.22 3.51 0.00 0.00 0.52 -0.42 -1.09 118.94 123.68 2xcn s TRP 53 Ca 0.13 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.21 2xcn s TRP 53 Cb -0.21 -2.39 0.00 0.00 -1.15 0.00 0.00 33.47 29.72 2xcn s TRP 53 CO 0.02 -0.17 0.00 -2.37 0.02 0.00 0.00 176.95 174.45 2xcn n THR 54 N -1.65 0.00 -3.83 2.01 5.66 -0.11 -0.62 114.28 115.73 2xcn n THR 54 Ca 0.02 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.65 2xcn n THR 54 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 2xcn n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2xcn s VAL 55 N -2.81 5.45 0.21 1.08 -7.23 -1.26 -2.52 120.40 113.32 2xcn s VAL 55 Ca 0.00 0.28 -0.09 0.00 -1.81 0.00 0.00 61.98 60.36 2xcn s VAL 55 Cb 0.00 -3.44 0.16 0.00 0.56 0.00 0.00 36.38 33.67 2xcn s VAL 55 CO 0.00 0.61 1.86 0.22 -0.31 0.00 0.00 175.10 177.48 2xcn h TYR 56 N 4.97 1.03 0.00 2.82 3.20 -0.68 0.16 116.97 128.46 2xcn h TYR 56 Ca -0.54 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.33 2xcn h TYR 56 Cb 1.23 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2xcn h TYR 56 CO 0.75 0.69 0.00 -2.39 -1.64 0.00 0.00 178.16 175.57 2xcn n HIS 57 N -4.48 0.00 -0.11 -3.82 1.44 -1.26 -0.44 115.22 106.55 2xcn n HIS 57 Ca 0.08 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.57 2xcn n HIS 57 Cb 0.05 -0.39 -0.08 0.00 0.12 0.00 0.00 29.99 29.69 2xcn n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2xcn n GLY 58 N -0.56 -0.34 0.10 -1.39 0.00 -0.78 -4.77 105.19 97.46 2xcn n GLY 58 Ca 0.03 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2xcn n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xcn h ALA 59 N -0.60 0.19 -0.83 4.61 0.00 -0.65 -3.46 119.26 118.53 2xcn h ALA 59 Ca -0.53 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.41 2xcn h ALA 59 Cb 1.54 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2xcn h ALA 59 CO -0.27 1.07 0.00 0.41 0.00 0.00 0.00 179.25 180.45 2xcn n GLY 60 N 1.56 2.70 1.12 0.00 0.00 0.42 -2.20 105.19 108.79 2xcn n GLY 60 Ca -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.54 2xcn n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xcn n THR 61 N 0.00 2.47 -1.33 2.61 -2.24 -1.26 -4.84 114.28 109.69 2xcn n THR 61 Ca 0.00 -2.22 -0.34 0.00 -2.27 0.00 0.00 64.05 59.22 2xcn n THR 61 Cb 0.00 -0.30 0.10 0.00 -2.10 0.00 0.00 70.33 68.04 2xcn n THR 61 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2xcn s ARG 62 N -3.03 1.97 0.59 -0.78 0.52 -0.93 -4.82 118.95 112.46 2xcn s ARG 62 Ca 0.45 1.78 -0.13 0.00 -0.52 0.00 0.00 55.73 57.31 2xcn s ARG 62 Cb 0.38 -1.81 -0.05 0.00 0.52 0.00 0.00 34.95 33.99 2xcn s ARG 62 CO 0.06 -1.97 1.02 0.95 0.02 0.00 0.00 175.30 175.37 2xcn s THR 63 N -2.00 4.64 -0.09 0.02 -4.23 -1.26 -4.50 115.64 108.22 2xcn s THR 63 Ca 0.74 0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 62.18 2xcn s THR 63 Cb -0.30 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 2xcn s THR 63 CO 0.47 -1.00 0.15 -0.51 -0.54 0.00 0.00 174.62 173.19 2xcn s ILE 64 N -3.00 5.49 0.47 2.99 2.07 -0.48 -4.87 121.20 123.87 2xcn s ILE 64 Ca 0.56 0.11 -0.21 0.00 -1.41 0.00 0.00 60.65 59.70 2xcn s ILE 64 Cb -0.11 -3.44 -0.08 0.00 0.13 0.00 0.00 42.46 38.96 2xcn s ILE 64 CO 0.47 0.54 1.05 0.00 -1.91 0.00 0.00 174.94 175.09 2xcn s ALA 65 N -1.11 2.90 0.19 1.50 0.00 -1.26 -0.73 121.76 123.25 2xcn s ALA 65 Ca 0.18 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 2xcn s ALA 65 Cb -0.12 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2xcn s ALA 65 CO 0.08 -0.35 0.33 -1.54 0.00 0.00 0.00 175.76 174.29 2xcn s SER 66 N -1.85 -0.00 0.00 0.00 1.04 -1.11 -4.85 113.70 106.93 2xcn s SER 66 Ca 0.66 -0.90 0.31 0.00 0.48 0.00 0.00 55.95 56.49 2xcn s SER 66 Cb -0.19 0.48 1.61 0.00 0.10 0.00 0.00 66.02 68.02 2xcn s SER 66 CO 0.23 -0.96 2.07 -2.65 0.98 0.00 0.00 173.24 172.90 2xcn n PRO 67 N -0.27 1.11 -0.19 4.02 -0.02 -1.26 -1.71 135.00 136.68 2xcn n PRO 67 Ca -0.05 -0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.28 2xcn n PRO 67 Cb 0.63 -1.49 0.22 0.00 -0.02 0.00 0.00 33.50 32.83 2xcn n PRO 67 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2xcn n LYS 68 N -0.71 2.52 0.00 -0.52 5.02 -1.26 -5.07 118.16 118.14 2xcn n LYS 68 Ca 0.21 -2.31 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 2xcn n LYS 68 Cb 0.19 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2xcn n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xcn n GLY 69 N 1.51 -0.95 3.74 0.72 0.00 -0.69 -5.04 105.19 104.47 2xcn n GLY 69 Ca 0.19 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 2xcn n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2xcn s PRO 70 N -0.92 2.78 -0.09 1.61 0.02 -1.26 -2.75 135.00 134.39 2xcn s PRO 70 Ca 0.00 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.21 2xcn s PRO 70 Cb 0.00 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.51 2xcn s PRO 70 CO 0.00 -1.45 -0.18 0.08 -0.33 0.00 0.00 177.00 175.13 2xcn s VAL 71 N -1.34 1.60 0.55 3.83 1.01 0.09 -4.89 120.40 121.25 2xcn s VAL 71 Ca 0.78 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 2xcn s VAL 71 Cb -0.39 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 2xcn s VAL 71 CO 0.44 0.46 1.02 0.27 0.00 0.00 0.00 175.10 177.29 2xcn s ILE 72 N 0.62 4.14 0.39 2.22 -4.36 -1.26 -1.38 121.20 121.57 2xcn s ILE 72 Ca -0.14 1.03 -0.27 0.00 -0.26 0.00 0.00 60.65 61.01 2xcn s ILE 72 Cb -0.16 -3.54 -0.11 0.00 1.25 0.00 0.00 42.46 39.90 2xcn s ILE 72 CO 0.04 -0.58 1.47 0.00 0.24 0.00 0.00 174.94 176.12 2xcn n GLN 73 N -1.78 2.58 -0.03 0.37 6.02 -1.26 -4.67 117.38 118.61 2xcn n GLN 73 Ca 0.08 0.91 -0.03 0.00 -0.01 0.00 0.00 57.00 57.95 2xcn n GLN 73 Cb 0.53 -2.66 -0.13 0.00 1.02 0.00 0.00 30.24 29.00 2xcn n GLN 73 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2xcn n MET 74 N 0.31 0.66 -3.85 -1.09 1.56 0.66 -4.90 117.12 110.47 2xcn n MET 74 Ca 0.02 0.07 -0.13 0.00 -0.27 0.00 0.00 57.70 57.39 2xcn n MET 74 Cb 0.39 -1.64 -0.14 0.00 2.15 0.00 0.00 33.22 33.98 2xcn n MET 74 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2xcn s TYR 75 N -2.83 -0.00 -0.03 1.12 1.51 -0.76 -5.00 117.35 111.35 2xcn s TYR 75 Ca -0.07 0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 2xcn s TYR 75 Cb 0.09 -0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.92 2xcn s TYR 75 CO 0.84 -0.02 -0.01 0.99 -1.11 0.00 0.00 175.55 176.23 2xcn s THR 76 N 0.21 0.27 -0.41 -0.71 2.01 -1.26 -1.77 115.64 113.97 2xcn s THR 76 Ca -0.02 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.07 2xcn s THR 76 Cb -0.03 -0.34 0.21 0.00 0.01 0.00 0.00 72.50 72.36 2xcn s THR 76 CO -0.01 0.16 0.48 -3.20 -0.69 0.00 0.00 174.62 171.37 2xcn n ASN 77 N 4.07 -0.55 -0.19 3.53 2.85 -0.14 -5.01 115.26 119.82 2xcn n ASN 77 Ca -0.26 -2.61 0.29 0.00 -0.11 0.00 0.00 54.58 51.89 2xcn n ASN 77 Cb 0.51 -0.29 0.73 0.00 1.24 0.00 0.00 39.78 41.97 2xcn n ASN 77 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2xcn h VAL 78 N 3.38 0.51 0.50 3.44 2.07 -1.97 0.20 116.25 124.37 2xcn h VAL 78 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2xcn h VAL 78 Cb 0.92 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2xcn h VAL 78 CO 0.38 0.00 -0.42 0.44 0.02 0.00 0.00 177.57 177.99 2xcn h ASP 79 N 0.00 -1.13 -0.10 0.57 3.32 -1.94 -3.19 116.42 113.95 2xcn h ASP 79 Ca 0.44 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2xcn h ASP 79 Cb 1.79 0.36 0.00 0.00 0.22 0.00 0.00 39.33 41.70 2xcn h ASP 79 CO -0.00 -0.58 0.00 0.00 -1.72 0.00 0.00 179.24 176.93 2xcn n GLN 80 N -4.99 1.35 -2.88 3.56 6.02 0.05 -4.85 117.38 115.64 2xcn n GLN 80 Ca -0.11 -0.41 -0.21 0.00 -0.01 0.00 0.00 57.00 56.26 2xcn n GLN 80 Cb 0.40 -1.26 0.01 0.00 1.02 0.00 0.00 30.24 30.42 2xcn n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2xcn n ASP 81 N -0.09 -5.36 -4.10 1.08 2.03 -1.19 -4.91 116.55 104.01 2xcn n ASP 81 Ca 0.04 -0.19 -0.30 0.00 0.52 0.00 0.00 54.79 54.86 2xcn n ASP 81 Cb 0.19 -4.39 -0.17 0.00 -0.72 0.00 0.00 41.12 36.03 2xcn n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2xcn s LEU 82 N -6.38 1.87 0.03 -2.67 2.96 -1.20 0.05 118.68 113.33 2xcn s LEU 82 Ca 0.22 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2xcn s LEU 82 Cb -0.10 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 2xcn s LEU 82 CO 0.27 0.04 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.50 2xcn s VAL 83 N 0.96 1.16 -0.04 1.68 1.01 -1.05 -0.96 120.40 123.15 2xcn s VAL 83 Ca -0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 2xcn s VAL 83 Cb -0.15 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.23 2xcn s VAL 83 CO -0.02 0.09 0.09 -0.83 0.00 0.00 0.00 175.10 174.43 2xcn s GLY 84 N -0.96 0.02 0.37 4.51 0.00 -0.73 -0.94 107.32 109.60 2xcn s GLY 84 Ca 0.03 0.50 0.07 0.00 0.00 0.00 0.00 44.72 45.32 2xcn s GLY 84 CO 0.01 0.81 0.41 -0.98 0.00 0.00 0.00 173.10 173.35 2xcn s TRP 85 N 1.04 2.88 0.15 1.90 0.51 -0.25 -0.24 118.94 124.92 2xcn s TRP 85 Ca -0.08 -0.35 -0.31 0.00 -2.12 0.00 0.00 56.10 53.23 2xcn s TRP 85 Cb -0.11 -2.06 -0.10 0.00 -0.81 0.00 0.00 33.47 30.38 2xcn s TRP 85 CO -0.04 -0.07 1.68 -2.14 -0.51 0.00 0.00 176.95 175.86 2xcn s PRO 86 N -4.15 4.17 0.19 4.98 0.02 -1.26 0.77 135.00 139.73 2xcn s PRO 86 Ca 0.47 2.46 -0.33 0.00 0.02 0.00 0.00 61.00 63.62 2xcn s PRO 86 Cb -0.07 -3.32 -0.13 0.00 0.02 0.00 0.00 34.50 31.00 2xcn s PRO 86 CO 0.29 -0.72 1.60 0.00 -0.33 0.00 0.00 177.00 177.84 2xcn n ALA 87 N 4.68 1.74 -1.31 -1.55 0.00 -0.67 -4.62 120.51 118.79 2xcn n ALA 87 Ca 0.16 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.91 2xcn n ALA 87 Cb 0.38 -2.39 0.13 0.00 0.00 0.00 0.00 19.45 17.57 2xcn n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2xcn n PRO 88 N 3.35 -1.38 -2.64 0.00 -0.04 -1.26 -4.96 135.00 128.07 2xcn n PRO 88 Ca 0.16 -1.08 -0.40 0.00 -0.04 0.00 0.00 63.50 62.13 2xcn n PRO 88 Cb 0.31 -0.84 -0.05 0.00 -0.04 0.00 0.00 33.50 32.88 2xcn n PRO 88 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2xcn s GLN 89 N -4.53 4.75 0.00 0.54 -0.21 -1.26 -3.80 119.66 115.14 2xcn s GLN 89 Ca 0.41 1.61 0.00 0.00 0.02 0.00 0.00 55.36 57.41 2xcn s GLN 89 Cb -0.02 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.73 2xcn s GLN 89 CO 0.30 0.36 0.00 0.41 -2.12 0.00 0.00 175.29 174.24 2xcn n GLY 90 N 1.49 0.89 3.15 3.09 0.00 -1.26 -5.07 105.19 107.47 2xcn n GLY 90 Ca -0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 2xcn n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xcn s SER 91 N -2.69 1.31 0.01 1.61 1.04 -1.25 -2.71 113.70 111.03 2xcn s SER 91 Ca 0.00 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.71 2xcn s SER 91 Cb 0.00 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 2xcn s SER 91 CO 0.00 -0.23 -0.03 0.00 0.98 0.00 0.00 173.24 173.96 2xcn s ARG 92 N -2.39 0.27 0.28 4.02 1.70 -0.92 -4.83 118.95 117.07 2xcn s ARG 92 Ca 0.01 -0.40 -0.12 0.00 -0.47 0.00 0.00 55.73 54.76 2xcn s ARG 92 Cb -0.05 -0.05 -0.08 0.00 -0.57 0.00 0.00 34.95 34.20 2xcn s ARG 92 CO 0.00 0.00 0.64 -1.12 -1.08 0.00 0.00 175.30 173.74 2xcn s SER 93 N -0.87 6.67 0.61 -2.89 0.01 -1.26 -4.01 113.70 111.95 2xcn s SER 93 Ca -0.08 1.06 -0.05 0.00 1.31 0.00 0.00 55.95 58.19 2xcn s SER 93 Cb -0.06 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 63.91 2xcn s SER 93 CO -0.00 -0.15 0.90 -0.76 0.41 0.00 0.00 173.24 173.64 2xcn s LEU 94 N -2.99 3.16 -0.08 2.44 1.43 -0.35 -4.85 118.68 117.44 2xcn s LEU 94 Ca 0.50 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2xcn s LEU 94 Cb -0.11 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2xcn s LEU 94 CO 0.21 -1.17 -0.02 -0.89 0.23 0.00 0.00 176.35 174.71 2xcn s THR 95 N -3.01 4.15 0.27 5.49 2.01 -1.26 -2.79 115.64 120.50 2xcn s THR 95 Ca 0.55 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 2xcn s THR 95 Cb -0.11 -2.74 -0.13 0.00 0.01 0.00 0.00 72.50 69.54 2xcn s THR 95 CO 0.44 0.59 1.49 -2.65 -0.69 0.00 0.00 174.62 173.80 2xcn n PRO 96 N 2.11 2.34 -1.74 4.92 -0.02 -1.26 -0.27 135.00 141.08 2xcn n PRO 96 Ca -0.18 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2xcn n PRO 96 Cb 0.53 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 2xcn n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xcn n THR 98 N 2.17 0.00 0.52 0.00 -2.24 -1.26 -4.67 114.28 108.79 2xcn n THR 98 Ca 0.09 -0.36 0.12 0.00 -2.27 0.00 0.00 64.05 61.63 2xcn n THR 98 Cb 0.36 1.26 0.17 0.00 -2.10 0.00 0.00 70.33 70.02 2xcn n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xcn n GLY 100 N 1.31 0.18 3.34 0.00 0.00 -1.26 -4.97 105.19 103.79 2xcn n GLY 100 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2xcn n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xcn n SER 101 N -0.56 -2.60 -0.56 1.61 2.88 -1.26 -4.93 113.62 108.19 2xcn n SER 101 Ca 0.00 0.44 0.08 0.00 -1.33 0.00 0.00 58.87 58.06 2xcn n SER 101 Cb 0.28 -1.09 0.04 0.00 -0.75 0.00 0.00 64.21 62.69 2xcn n SER 101 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2xcn n SER 102 N 0.37 2.12 -4.54 -3.46 7.64 -1.26 -4.89 113.62 109.60 2xcn n SER 102 Ca 0.07 -1.56 -0.42 0.00 1.01 0.00 0.00 58.87 57.96 2xcn n SER 102 Cb 0.52 0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 63.82 2xcn n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2xcn s ASP 103 N -1.57 6.35 0.32 6.43 1.01 -1.26 -0.48 116.67 127.47 2xcn s ASP 103 Ca 0.17 -0.12 0.09 0.00 0.71 0.00 0.00 52.55 53.40 2xcn s ASP 103 Cb 0.14 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.69 2xcn s ASP 103 CO 0.28 -0.65 -0.08 -0.76 0.21 0.00 0.00 175.17 174.17 2xcn s LEU 104 N 2.67 2.65 -0.07 1.23 1.43 0.60 -3.76 118.68 123.43 2xcn s LEU 104 Ca 0.22 -1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 2xcn s LEU 104 Cb -0.15 -0.89 0.04 0.00 0.03 0.00 0.00 46.19 45.22 2xcn s LEU 104 CO 0.16 -0.24 0.06 -0.31 0.23 0.00 0.00 176.35 176.25 2xcn s TYR 105 N -2.73 0.14 0.20 0.29 1.51 -0.38 -0.79 117.35 115.59 2xcn s TYR 105 Ca 0.32 0.09 -0.23 0.00 -1.01 0.00 0.00 57.07 56.23 2xcn s TYR 105 Cb 0.03 -0.56 -0.08 0.00 -0.11 0.00 0.00 41.96 41.24 2xcn s TYR 105 CO 0.15 -0.28 0.76 -1.17 -1.11 0.00 0.00 175.55 173.90 2xcn s LEU 106 N 2.15 4.46 -0.18 -1.29 2.96 0.56 -1.04 118.68 126.29 2xcn s LEU 106 Ca 0.04 1.55 -0.02 0.00 -0.22 0.00 0.00 54.13 55.48 2xcn s LEU 106 Cb -0.13 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 2xcn s LEU 106 CO -0.05 0.11 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.32 2xcn s VAL 107 N -1.35 3.18 0.82 1.68 1.01 -0.95 -0.84 120.40 123.95 2xcn s VAL 107 Ca 0.40 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2xcn s VAL 107 Cb -0.20 -2.40 0.13 0.00 0.00 0.00 0.00 36.38 33.91 2xcn s VAL 107 CO 0.23 0.47 1.15 0.42 0.00 0.00 0.00 175.10 177.37 2xcn s THR 108 N 1.03 2.11 -1.81 3.92 -4.23 -0.33 -4.32 115.64 112.01 2xcn s THR 108 Ca -0.00 -0.21 0.31 0.00 -1.18 0.00 0.00 61.69 60.61 2xcn s THR 108 Cb -0.15 -2.90 0.78 0.00 1.34 0.00 0.00 72.50 71.57 2xcn s THR 108 CO -0.01 0.00 2.16 -2.11 -0.54 0.00 0.00 174.62 174.12 2xcn n ARG 109 N -3.28 0.80 -0.52 3.99 1.85 -1.26 -1.80 116.66 116.45 2xcn n ARG 109 Ca 0.12 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 57.06 2xcn n ARG 109 Cb 0.60 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.83 2xcn n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2xcn n HIS 110 N -1.10 1.24 -2.76 2.89 8.25 -1.26 -4.94 115.22 117.54 2xcn n HIS 110 Ca 0.21 -0.62 -0.20 0.00 -0.26 0.00 0.00 57.72 56.85 2xcn n HIS 110 Cb 0.15 -0.21 0.01 0.00 1.12 0.00 0.00 29.99 31.06 2xcn n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xcn n ALA 111 N 0.87 -0.84 -2.00 -1.41 0.00 -0.74 -4.99 120.51 111.39 2xcn n ALA 111 Ca 0.23 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 2xcn n ALA 111 Cb 0.81 -2.69 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 2xcn n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2xcn s ASP 112 N -2.36 6.86 -0.15 0.00 1.01 -1.26 -4.84 116.67 115.93 2xcn s ASP 112 Ca 0.16 1.46 -0.02 0.00 0.71 0.00 0.00 52.55 54.86 2xcn s ASP 112 Cb -0.08 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 2xcn s ASP 112 CO 0.20 -0.25 -0.08 -0.69 0.21 0.00 0.00 175.17 174.56 2xcn s VAL 113 N -2.03 3.47 -0.24 -1.27 1.01 -1.26 -1.18 120.40 118.89 2xcn s VAL 113 Ca 0.57 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2xcn s VAL 113 Cb -0.10 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.82 2xcn s VAL 113 CO 0.16 0.50 -0.11 -0.63 0.00 0.00 0.00 175.10 175.02 2xcn s ILE 114 N 0.47 2.36 0.39 2.22 1.01 -0.02 -4.94 121.20 122.69 2xcn s ILE 114 Ca -0.06 -1.34 -0.27 0.00 0.00 0.00 0.00 60.65 58.98 2xcn s ILE 114 Cb -0.15 -2.27 -0.10 0.00 0.01 0.00 0.00 42.46 39.96 2xcn s ILE 114 CO 0.04 0.13 1.38 -2.84 0.00 0.00 0.00 174.94 173.65 2xcn s PRO 115 N 1.20 4.04 -0.15 2.79 0.02 -1.26 -0.33 135.00 141.31 2xcn s PRO 115 Ca -0.04 2.34 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 2xcn s PRO 115 Cb -0.18 -2.87 0.05 0.00 0.02 0.00 0.00 34.50 31.52 2xcn s PRO 115 CO -0.06 -0.50 0.38 0.08 -0.33 0.00 0.00 177.00 176.57 2xcn s VAL 116 N -1.18 -0.02 -0.23 3.83 1.01 0.03 -2.91 120.40 120.93 2xcn s VAL 116 Ca 0.55 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 2xcn s VAL 116 Cb -0.42 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2xcn s VAL 116 CO 0.55 0.03 0.07 -0.60 0.00 0.00 0.00 175.10 175.16 2xcn s ARG 117 N 1.02 3.75 -0.01 2.72 6.06 -0.10 -0.29 118.95 132.10 2xcn s ARG 117 Ca -0.07 -0.44 -0.30 0.00 -2.50 0.00 0.00 55.73 52.43 2xcn s ARG 117 Cb -0.07 -3.31 -0.07 0.00 0.06 0.00 0.00 34.95 31.56 2xcn s ARG 117 CO -0.08 -0.07 1.79 0.50 -2.50 0.00 0.00 175.30 174.94 2xcn s ARG 118 N 1.30 4.16 0.00 5.12 3.52 0.36 -0.71 118.95 132.71 2xcn s ARG 118 Ca 0.05 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 2xcn s ARG 118 Cb -0.15 -4.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 2xcn s ARG 118 CO 0.04 -0.89 0.00 0.54 -0.81 0.00 0.00 175.30 174.18 2xcn n ARG 119 N 7.29 0.00 0.00 5.12 5.12 0.23 -4.95 116.66 129.48 2xcn n ARG 119 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2xcn n ARG 119 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 2xcn n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xcn n GLY 120 N 3.52 0.74 0.05 -0.13 0.00 -1.22 -4.95 105.19 103.21 2xcn n GLY 120 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2xcn n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2xcn n ASP 121 N 0.00 0.03 -0.25 1.61 9.92 -1.26 -4.67 116.55 121.93 2xcn n ASP 121 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2xcn n ASP 121 Cb 0.00 1.53 0.00 0.00 -0.64 0.00 0.00 41.12 42.01 2xcn n ASP 121 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2xcn n SER 122 N -2.48 0.00 -4.33 -2.24 3.41 -1.26 -4.61 113.62 102.11 2xcn n SER 122 Ca -0.16 -1.25 -0.32 0.00 -0.26 0.00 0.00 58.87 56.89 2xcn n SER 122 Cb 0.81 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.56 2xcn n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2xcn s ARG 123 N 0.00 2.43 0.00 4.33 6.06 -1.26 -1.48 118.95 129.04 2xcn s ARG 123 Ca 0.00 -0.86 -0.11 0.00 -2.50 0.00 0.00 55.73 52.26 2xcn s ARG 123 Cb 0.00 -2.19 0.01 0.00 0.06 0.00 0.00 34.95 32.83 2xcn s ARG 123 CO 0.00 0.48 0.22 0.20 -2.50 0.00 0.00 175.30 173.70 2xcn s GLY 124 N -0.41 -0.04 -0.11 8.12 0.00 -0.94 -0.60 107.32 113.34 2xcn s GLY 124 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.82 2xcn s GLY 124 CO 0.01 -0.13 -0.17 -1.35 0.00 0.00 0.00 173.10 171.47 2xcn s SER 125 N -1.44 3.72 0.01 1.64 1.04 0.12 -0.16 113.70 118.63 2xcn s SER 125 Ca -0.13 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 2xcn s SER 125 Cb -0.06 -1.48 -0.07 0.00 0.10 0.00 0.00 66.02 64.51 2xcn s SER 125 CO 0.02 0.18 1.78 -0.76 0.98 0.00 0.00 173.24 175.44 2xcn s LEU 126 N 0.26 4.37 0.56 2.42 1.43 -0.95 -0.93 118.68 125.84 2xcn s LEU 126 Ca -0.11 2.46 0.32 0.00 -1.03 0.00 0.00 54.13 55.76 2xcn s LEU 126 Cb -0.16 -3.54 1.72 0.00 0.03 0.00 0.00 46.19 44.24 2xcn s LEU 126 CO 0.06 -0.97 1.95 -0.07 0.23 0.00 0.00 176.35 177.55 2xcn h LEU 127 N 10.05 0.00 -6.75 1.79 3.38 -1.87 -3.31 115.31 118.60 2xcn h LEU 127 Ca -0.44 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.09 2xcn h LEU 127 Cb 1.21 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.58 2xcn h LEU 127 CO 0.94 0.00 -0.72 -0.44 0.09 0.00 0.00 178.44 178.31 2xcn s SER 128 N -4.48 2.65 0.63 -0.43 0.01 -1.26 -5.12 113.70 105.70 2xcn s SER 128 Ca -0.04 -0.94 -0.16 0.00 1.31 0.00 0.00 55.95 56.12 2xcn s SER 128 Cb 0.09 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 2xcn s SER 128 CO 0.29 -0.40 1.11 -2.84 0.41 0.00 0.00 173.24 171.80 2xcn s PRO 129 N 2.20 2.97 0.21 12.44 0.02 -1.25 -5.04 135.00 146.56 2xcn s PRO 129 Ca 0.08 1.43 -0.17 0.00 0.02 0.00 0.00 61.00 62.36 2xcn s PRO 129 Cb -0.15 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.42 2xcn s PRO 129 CO -0.30 -1.12 0.53 -0.98 -0.33 0.00 0.00 177.00 174.81 2xcn s ARG 130 N -3.90 1.45 0.26 5.54 1.70 -0.90 -5.01 118.95 118.09 2xcn s ARG 130 Ca 0.68 -0.96 -0.27 0.00 -0.47 0.00 0.00 55.73 54.72 2xcn s ARG 130 Cb -0.21 0.52 -0.16 0.00 -0.57 0.00 0.00 34.95 34.53 2xcn s ARG 130 CO 0.38 -0.62 0.62 -2.30 -1.08 0.00 0.00 175.30 172.30 2xcn n PRO 131 N -0.36 0.42 0.21 3.89 -0.01 -1.26 -1.34 135.00 136.55 2xcn n PRO 131 Ca -0.08 0.15 0.05 0.00 -0.01 0.00 0.00 63.50 63.61 2xcn n PRO 131 Cb 0.62 -1.28 0.44 0.00 -0.01 0.00 0.00 33.50 33.27 2xcn n PRO 131 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 175.50 176.46 2xcn h ILE 132 N 1.20 1.11 0.00 4.25 -0.00 -1.80 -2.43 117.51 119.84 2xcn h ILE 132 Ca -0.33 -1.02 -0.00 0.00 -0.00 0.00 0.00 64.86 63.51 2xcn h ILE 132 Cb 1.41 1.57 -0.00 0.00 -0.00 0.00 0.00 36.82 39.80 2xcn h ILE 132 CO 0.57 0.28 -0.01 0.77 -0.00 0.00 0.00 178.15 179.76 2xcn h SER 133 N 0.00 0.00 0.88 2.19 4.64 -1.89 -0.54 113.55 118.83 2xcn h SER 133 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2xcn h SER 133 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2xcn h SER 133 CO 0.04 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2xcn n TYR 134 N -3.18 0.28 -0.33 4.77 9.36 -0.91 -3.09 117.16 124.06 2xcn n TYR 134 Ca -0.02 0.09 0.03 0.00 3.32 0.00 0.00 57.90 61.32 2xcn n TYR 134 Cb 0.11 -0.65 0.04 0.00 -0.63 0.00 0.00 39.34 38.21 2xcn n TYR 134 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2xcn n LEU 135 N -1.74 2.08 -4.73 2.98 4.77 -0.22 -4.93 117.00 115.21 2xcn n LEU 135 Ca 0.05 -2.30 -0.41 0.00 -0.03 0.00 0.00 56.01 53.32 2xcn n LEU 135 Cb 0.29 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2xcn n LEU 135 CO 0.22 0.56 0.91 -0.54 -1.33 0.00 0.00 177.39 177.20 2xcn s LYS 136 N -1.54 4.46 0.00 3.23 1.02 -1.18 -2.86 119.74 122.87 2xcn s LYS 136 Ca 0.09 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.96 2xcn s LYS 136 Cb 0.08 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2xcn s LYS 136 CO 0.01 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 2xcn n GLY 137 N 2.56 0.70 0.18 -3.33 0.00 -1.26 -4.84 105.19 99.20 2xcn n GLY 137 Ca 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.85 2xcn n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2xcn n SER 138 N 0.48 1.18 -4.76 1.61 7.64 -1.13 -3.64 113.62 115.00 2xcn n SER 138 Ca 0.00 -1.09 -0.41 0.00 1.01 0.00 0.00 58.87 58.38 2xcn n SER 138 Cb 0.00 0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 2xcn n SER 138 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2xcn s SER 139 N -0.80 6.75 0.00 6.43 1.04 -1.26 -1.04 113.70 124.82 2xcn s SER 139 Ca 0.06 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.16 2xcn s SER 139 Cb 0.05 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2xcn s SER 139 CO 0.12 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2xcn n GLY 140 N 1.18 0.92 3.70 7.32 0.00 0.11 -1.63 105.19 116.80 2xcn n GLY 140 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2xcn n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xcn s GLY 141 N -1.69 1.63 0.40 -0.02 0.00 -0.21 -3.78 107.32 103.65 2xcn s GLY 141 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.83 2xcn s GLY 141 CO 0.00 0.54 0.56 2.56 0.00 0.00 0.00 173.10 176.76 2xcn s PRO 142 N -4.86 3.00 -0.14 2.90 0.04 -1.26 -1.20 135.00 133.49 2xcn s PRO 142 Ca 0.64 -0.91 0.01 0.00 0.04 0.00 0.00 61.00 60.78 2xcn s PRO 142 Cb -0.19 -2.72 0.02 0.00 0.04 0.00 0.00 34.50 31.65 2xcn s PRO 142 CO 0.58 -0.14 -0.15 -0.51 0.04 0.00 0.00 177.00 176.81 2xcn s LEU 143 N -4.35 1.71 0.08 -3.56 1.02 0.58 -2.23 118.68 111.94 2xcn s LEU 143 Ca 0.49 -0.48 0.08 0.00 0.02 0.00 0.00 54.13 54.23 2xcn s LEU 143 Cb -0.10 -1.17 -0.04 0.00 0.02 0.00 0.00 46.19 44.90 2xcn s LEU 143 CO 0.34 -0.03 -0.15 -0.76 0.02 0.00 0.00 176.35 175.76 2xcn s LEU 144 N 1.34 2.80 0.87 1.79 1.43 -0.21 0.01 118.68 126.71 2xcn s LEU 144 Ca 0.02 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 2xcn s LEU 144 Cb -0.13 -1.63 0.13 0.00 0.03 0.00 0.00 46.19 44.59 2xcn s LEU 144 CO -0.08 0.21 1.23 0.00 0.23 0.00 0.00 176.35 177.93 2xcn n PRO 146 N -3.48 -0.07 0.00 0.00 -0.02 -1.25 0.12 135.00 130.31 2xcn n PRO 146 Ca 0.11 1.43 0.07 0.00 -2.02 0.00 0.00 63.50 63.10 2xcn n PRO 146 Cb 0.60 -2.34 0.35 0.00 -0.02 0.00 0.00 33.50 32.10 2xcn n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xcn n ALA 147 N -2.99 1.78 -1.07 3.55 0.00 -1.26 -4.88 120.51 115.65 2xcn n ALA 147 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 2xcn n ALA 147 Cb 0.85 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 2xcn n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xcn n GLY 148 N -0.06 0.56 3.89 0.00 0.00 0.33 -5.03 105.19 104.87 2xcn n GLY 148 Ca 0.06 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2xcn n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xcn s HIS 149 N -1.96 3.56 -0.10 1.61 3.76 -1.26 -4.77 115.29 116.13 2xcn s HIS 149 Ca 0.00 1.03 -0.25 0.00 -0.15 0.00 0.00 55.06 55.70 2xcn s HIS 149 Cb 0.00 -2.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 2xcn s HIS 149 CO 0.00 -0.56 0.77 0.00 -0.85 0.00 0.00 174.74 174.10 2xcn s ALA 150 N -3.00 3.39 -0.14 -1.40 0.00 0.62 -1.95 121.76 119.29 2xcn s ALA 150 Ca 0.52 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2xcn s ALA 150 Cb -0.11 -3.10 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 2xcn s ALA 150 CO 0.50 -0.34 -0.06 0.28 0.00 0.00 0.00 175.76 176.13 2xcn n VAL 151 N 4.19 0.88 -3.58 0.00 0.31 0.10 0.15 118.33 120.39 2xcn n VAL 151 Ca 0.02 -0.42 0.03 0.00 -0.01 0.00 0.00 64.34 63.95 2xcn n VAL 151 Cb 0.50 -0.90 -0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2xcn n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2xcn s GLY 152 N -5.11 -0.45 0.04 2.92 0.00 -1.12 -2.46 107.32 101.15 2xcn s GLY 152 Ca -0.15 1.01 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 2xcn s GLY 152 CO 0.43 0.21 0.24 1.08 0.00 0.00 0.00 173.10 175.06 2xcn s LEU 153 N -2.89 4.35 -0.14 0.66 1.43 -0.15 -0.31 118.68 121.62 2xcn s LEU 153 Ca 0.14 0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 2xcn s LEU 153 Cb 0.06 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2xcn s LEU 153 CO -0.06 0.20 0.44 0.12 0.23 0.00 0.00 176.35 177.28 2xcn s PHE 154 N -1.43 3.47 -0.14 0.29 5.36 -0.34 0.38 117.98 125.57 2xcn s PHE 154 Ca 0.32 0.80 -0.09 0.00 -0.96 0.00 0.00 56.93 57.00 2xcn s PHE 154 Cb -0.13 -2.53 -0.06 0.00 -0.34 0.00 0.00 43.02 39.96 2xcn s PHE 154 CO 0.22 0.12 -0.21 -2.13 -1.46 0.00 0.00 175.22 171.77 2xcn n ARG 155 N 3.89 0.33 -3.58 10.12 0.63 0.98 0.08 116.66 129.11 2xcn n ARG 155 Ca -0.08 0.14 -0.12 0.00 -0.92 0.00 0.00 57.85 56.88 2xcn n ARG 155 Cb 0.51 -1.06 -0.04 0.00 0.45 0.00 0.00 32.46 32.32 2xcn n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2xcn s ALA 156 N -2.35 -1.14 -0.27 5.13 0.00 -0.88 -4.90 121.76 117.35 2xcn s ALA 156 Ca -0.21 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2xcn s ALA 156 Cb 0.07 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 2xcn s ALA 156 CO 0.27 -0.63 0.16 0.00 0.00 0.00 0.00 175.76 175.57 2xcn s ALA 157 N -3.46 3.47 0.06 0.00 0.00 -1.26 0.12 121.76 120.69 2xcn s ALA 157 Ca 0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 2xcn s ALA 157 Cb 0.01 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.67 2xcn s ALA 157 CO -0.10 -0.50 1.50 0.08 0.00 0.00 0.00 175.76 176.74 2xcn s VAL 158 N 1.65 3.31 -0.28 0.00 1.01 -0.21 -4.96 120.40 120.93 2xcn s VAL 158 Ca 0.07 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 62.64 2xcn s VAL 158 Cb -0.16 -3.52 0.11 0.00 0.00 0.00 0.00 36.38 32.81 2xcn s VAL 158 CO 0.09 0.02 0.87 0.00 0.00 0.00 0.00 175.10 176.07 2xcn s THR 160 N 0.85 2.80 0.23 0.00 2.01 -1.19 -4.92 115.64 115.42 2xcn s THR 160 Ca -0.03 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 2xcn s THR 160 Cb -0.05 -2.55 -0.15 0.00 0.01 0.00 0.00 72.50 69.76 2xcn s THR 160 CO -0.10 -0.34 1.17 -2.11 -0.69 0.00 0.00 174.62 172.56 2xcn n ARG 161 N -3.82 1.44 0.00 4.92 0.00 -1.26 -1.54 116.66 116.40 2xcn n ARG 161 Ca 0.10 0.51 0.00 0.00 -0.00 0.00 0.00 57.85 58.46 2xcn n ARG 161 Cb 0.53 -2.01 0.00 0.00 -0.00 0.00 0.00 32.46 30.98 2xcn n ARG 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2xcn n GLY 162 N 1.77 1.09 3.07 2.89 0.00 -1.26 -4.95 105.19 107.81 2xcn n GLY 162 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2xcn n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xcn s VAL 163 N 0.00 1.98 0.14 1.61 1.01 -0.59 -2.20 120.40 122.34 2xcn s VAL 163 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 60.49 2xcn s VAL 163 Cb 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 2xcn s VAL 163 CO 0.00 0.25 1.44 0.00 0.00 0.00 0.00 175.10 176.79 2xcn s ALA 164 N 1.26 3.65 0.00 5.51 0.00 -0.45 -3.15 121.76 128.58 2xcn s ALA 164 Ca -0.01 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2xcn s ALA 164 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2xcn s ALA 164 CO -0.09 -0.66 0.00 1.17 0.00 0.00 0.00 175.76 176.18 2xcn n LYS 165 N 3.85 2.63 -4.00 0.00 4.81 -0.13 -2.12 118.16 123.19 2xcn n LYS 165 Ca 0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.44 2xcn n LYS 165 Cb 0.41 -0.85 -0.03 0.00 0.02 0.00 0.00 35.03 34.58 2xcn n LYS 165 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2xcn s ALA 166 N -1.65 0.11 0.02 3.14 0.00 -1.13 -2.24 121.76 120.02 2xcn s ALA 166 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.85 2xcn s ALA 166 Cb 0.00 1.04 -0.02 0.00 0.00 0.00 0.00 23.12 24.14 2xcn s ALA 166 CO 0.00 -0.85 -0.07 0.14 0.00 0.00 0.00 175.76 174.98 2xcn s VAL 167 N -3.31 0.50 -0.14 0.00 -7.23 0.78 -1.04 120.40 109.96 2xcn s VAL 167 Ca 0.25 -0.75 -0.07 0.00 -1.81 0.00 0.00 61.98 59.59 2xcn s VAL 167 Cb -0.01 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 2xcn s VAL 167 CO 0.14 -0.18 0.12 -0.62 -0.31 0.00 0.00 175.10 174.25 2xcn s ASP 168 N -1.02 6.19 -0.03 4.85 2.15 0.33 -2.20 116.67 126.94 2xcn s ASP 168 Ca -0.05 0.36 -0.06 0.00 0.43 0.00 0.00 52.55 53.22 2xcn s ASP 168 Cb -0.07 -2.01 0.01 0.00 -0.30 0.00 0.00 42.92 40.55 2xcn s ASP 168 CO 0.00 0.34 0.15 0.72 -0.17 0.00 0.00 175.17 176.21 2xcn s PHE 169 N -0.59 -0.07 -0.12 -5.34 -0.12 -0.55 -0.01 117.98 111.18 2xcn s PHE 169 Ca 0.12 0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 56.86 2xcn s PHE 169 Cb -0.12 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 2xcn s PHE 169 CO 0.02 -0.18 1.58 0.42 -0.05 0.00 0.00 175.22 177.01 2xcn s ILE 170 N -0.62 3.74 0.84 -4.49 1.01 0.16 -4.58 121.20 117.25 2xcn s ILE 170 Ca -0.07 0.88 -0.11 0.00 0.00 0.00 0.00 60.65 61.34 2xcn s ILE 170 Cb -0.04 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.91 2xcn s ILE 170 CO 0.01 -0.13 1.09 -2.16 0.00 0.00 0.00 174.94 173.75 2xcn s PRO 171 N 4.11 1.71 0.14 2.79 0.04 -1.26 -0.98 135.00 141.54 2xcn s PRO 171 Ca 0.70 0.84 0.07 0.00 0.04 0.00 0.00 61.00 62.65 2xcn s PRO 171 Cb -0.29 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.25 2xcn s PRO 171 CO 0.27 -1.93 1.32 0.28 0.04 0.00 0.00 177.00 176.97 2xcn h VAL 172 N -1.33 1.68 0.00 -0.36 2.07 -1.83 -3.04 116.25 113.45 2xcn h VAL 172 Ca -0.48 -3.25 -0.02 0.00 0.82 0.00 0.00 66.70 63.78 2xcn h VAL 172 Cb 1.27 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2xcn h VAL 172 CO 0.55 0.93 -0.08 -0.33 0.02 0.00 0.00 177.57 178.66 2xcn h GLU 173 N 0.00 0.00 -0.60 1.57 3.07 -1.93 0.48 114.58 117.17 2xcn h GLU 173 Ca -0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2xcn h GLU 173 Cb 1.69 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.57 2xcn h GLU 173 CO 0.13 0.08 0.31 -0.91 -1.40 0.00 0.00 179.01 177.22 2xcn h ASN 174 N 0.00 0.74 0.01 1.42 -0.26 -1.92 -1.74 115.58 113.83 2xcn h ASN 174 Ca -0.00 -0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.68 2xcn h ASN 174 Cb 0.17 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2xcn h ASN 174 CO 0.01 0.61 -0.00 -0.07 -1.06 0.00 0.00 177.43 176.92 2xcn h LEU 175 N 0.84 -0.01 -1.78 1.61 4.07 -1.04 -0.84 115.31 118.16 2xcn h LEU 175 Ca 0.21 -0.53 0.04 0.00 0.08 0.00 0.00 57.88 57.68 2xcn h LEU 175 Cb 0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 2xcn h LEU 175 CO -0.03 0.53 0.22 -0.33 -1.08 0.00 0.00 178.44 177.75 2xcn h GLU 176 N -0.55 0.27 -0.02 1.13 5.08 -1.35 0.53 114.58 119.67 2xcn h GLU 176 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2xcn h GLU 176 Cb 0.54 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2xcn h GLU 176 CO 0.00 0.18 -0.19 0.25 -1.00 0.00 0.00 179.01 178.25 2xcn n THR 177 N -4.49 0.00 0.04 1.13 -2.24 -0.66 -2.90 114.28 105.16 2xcn n THR 177 Ca 0.03 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 2xcn n THR 177 Cb 0.20 1.17 -0.13 0.00 -2.10 0.00 0.00 70.33 69.47 2xcn n THR 177 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2xcn h THR 178 N 3.25 1.44 0.00 4.28 2.02 -0.14 -3.33 112.91 120.43 2xcn h THR 178 Ca 0.00 -3.17 0.00 0.00 0.77 0.00 0.00 66.41 64.01 2xcn h THR 178 Cb 0.80 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 2xcn h THR 178 CO 0.00 0.84 0.00 0.24 0.37 0.00 0.00 175.52 176.97 2xcn h MET 179 N 0.01 0.00 -0.00 6.66 2.07 -0.83 -3.51 114.93 119.33 2xcn h MET 179 Ca -0.11 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.52 2xcn h MET 179 Cb 1.87 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.60 2xcn h MET 179 CO 0.12 0.00 0.00 0.54 1.07 0.00 0.00 176.91 178.64