#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h n GLU 20 N 0.00 -2.95 -4.63 2.98 1.02 -1.26 -5.00 120.64 110.80 1s1h n GLU 20 Ca 0.00 0.48 -0.29 0.00 -0.02 0.00 0.00 57.16 57.33 1s1h n GLU 20 Cb 0.00 -4.56 -0.08 0.00 -0.02 0.00 0.00 31.44 26.78 1s1h n GLU 20 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1s1h s SER 21 N -4.05 3.45 -0.27 1.62 1.04 -1.26 -5.03 113.70 109.20 1s1h s SER 21 Ca 0.17 -1.66 -0.29 0.00 0.48 0.00 0.00 55.95 54.65 1s1h s SER 21 Cb -0.06 0.50 -0.06 0.00 0.10 0.00 0.00 66.02 66.50 1s1h s SER 21 CO 0.86 -0.89 2.24 -1.54 0.98 0.00 0.00 173.24 174.89 1s1h n SER 22 N -1.29 2.98 0.01 7.02 3.41 -1.26 -4.78 113.62 119.72 1s1h n SER 22 Ca -0.12 0.16 -0.19 0.00 -0.26 0.00 0.00 58.87 58.46 1s1h n SER 22 Cb 0.66 -1.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.00 1s1h n SER 22 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s1h h ARG 23 N 15.09 0.70 -0.66 4.33 -0.00 -1.99 -3.37 114.38 128.49 1s1h h ARG 23 Ca -0.37 -0.68 0.05 0.00 -0.50 0.00 0.00 59.98 58.48 1s1h h ARG 23 Cb 1.26 0.18 -0.05 0.00 0.00 0.00 0.00 29.97 31.35 1s1h h ARG 23 CO 0.99 1.27 0.38 1.25 0.00 0.00 0.00 179.97 183.86 1s1h h LEU 24 N 0.38 0.58 -1.14 3.04 5.85 -1.98 -0.42 115.31 121.63 1s1h h LEU 24 Ca -0.10 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1s1h h LEU 24 Cb 1.54 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1s1h h LEU 24 CO 0.18 0.38 0.18 -2.24 -0.34 0.00 0.00 178.44 176.60 1s1h h ASP 25 N 0.71 0.73 -0.76 1.25 2.03 -1.89 -1.83 116.42 116.65 1s1h h ASP 25 Ca 0.29 -0.10 -0.05 0.00 -0.73 0.00 0.00 57.03 56.44 1s1h h ASP 25 Cb 0.14 -0.19 -0.03 0.00 -0.83 0.00 0.00 39.33 38.42 1s1h h ASP 25 CO -0.16 0.68 0.30 0.00 -1.03 0.00 0.00 179.24 179.02 1s1h h ALA 26 N 1.43 1.07 -0.61 4.15 0.00 -1.26 -2.28 119.26 121.76 1s1h h ALA 26 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s1h h ALA 26 Cb 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1s1h h ALA 26 CO -0.01 0.66 0.25 1.05 0.00 0.00 0.00 179.25 181.19 1s1h h GLU 27 N 1.12 0.90 -7.46 0.00 4.11 -1.05 -2.91 114.58 109.29 1s1h h GLU 27 Ca 0.26 -0.16 -0.47 0.00 0.07 0.00 0.00 59.36 59.06 1s1h h GLU 27 Cb 0.23 -0.15 0.13 0.00 0.50 0.00 0.00 28.75 29.46 1s1h h GLU 27 CO -0.02 0.76 0.31 -0.51 0.07 0.00 0.00 179.01 179.62 1s1h s LEU 28 N -9.77 2.18 0.00 3.06 2.01 -0.86 -1.71 118.68 113.60 1s1h s LEU 28 Ca -0.13 1.09 0.00 0.00 0.01 0.00 0.00 54.13 55.10 1s1h s LEU 28 Cb 0.13 -3.50 0.00 0.00 0.01 0.00 0.00 46.19 42.83 1s1h s LEU 28 CO 0.80 -2.39 0.00 0.29 1.01 0.00 0.00 176.35 176.05 1s1h n LYS 29 N -3.68 0.00 0.20 1.70 4.76 -1.26 -3.87 118.16 116.02 1s1h n LYS 29 Ca 0.07 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.58 1s1h n LYS 29 Cb 0.58 -0.01 0.37 0.00 -1.84 0.00 0.00 35.03 34.13 1s1h n LYS 29 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1s1h h LEU 30 N 0.00 0.00 0.00 -0.35 -0.00 -1.47 -3.45 115.31 110.04 1s1h h LEU 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1s1h h LEU 30 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1s1h h LEU 30 CO 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 178.44 178.74 1s1h n ALA 31 N -2.25 0.00 -2.82 1.53 0.00 -0.69 -4.94 120.51 111.34 1s1h n ALA 31 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1s1h n ALA 31 Cb 0.48 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 1s1h n ALA 31 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s1h s GLY 32 N -2.00 2.01 0.08 0.00 0.00 -1.23 -5.02 107.32 101.17 1s1h s GLY 32 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 44.72 43.42 1s1h s GLY 32 CO 0.00 -0.98 1.50 -0.54 0.00 0.00 0.00 173.10 173.08 1s1h s GLU 33 N -2.52 4.26 -0.09 2.90 8.01 -1.26 -4.68 118.70 125.31 1s1h s GLU 33 Ca 0.31 2.18 0.01 0.00 0.01 0.00 0.00 54.97 57.47 1s1h s GLU 33 Cb -0.12 -3.41 0.02 0.00 -4.31 0.00 0.00 34.13 26.31 1s1h s GLU 33 CO 0.24 -0.59 -0.09 -0.06 0.01 0.00 0.00 175.26 174.76 1s1h s PHE 34 N 1.88 1.46 -1.04 1.61 0.08 -1.26 -5.04 117.98 115.67 1s1h s PHE 34 Ca 0.68 -0.65 -0.13 0.00 0.12 0.00 0.00 56.93 56.95 1s1h s PHE 34 Cb -0.38 -1.15 0.21 0.00 -0.57 0.00 0.00 43.02 41.13 1s1h s PHE 34 CO 0.30 -0.41 1.13 0.20 -0.10 0.00 0.00 175.22 176.34 1s1h s GLY 35 N 1.25 2.62 0.32 4.36 0.00 -1.26 -4.55 107.32 110.07 1s1h s GLY 35 Ca -0.04 -3.39 0.17 0.00 0.00 0.00 0.00 44.72 41.47 1s1h s GLY 35 CO -0.03 1.65 1.60 1.41 0.00 0.00 0.00 173.10 177.73 1s1h h LEU 36 N 8.49 0.00 -8.63 0.66 3.38 -1.94 -3.38 115.31 113.89 1s1h h LEU 36 Ca 0.20 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.90 1s1h h LEU 36 Cb 0.94 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1s1h h LEU 36 CO 1.04 0.46 -0.65 -0.54 0.09 0.00 0.00 178.44 178.84 1s1h s LYS 37 N -3.31 1.11 -0.01 1.13 1.02 -1.26 -4.54 119.74 113.89 1s1h s LYS 37 Ca 0.02 -1.55 -0.30 0.00 0.02 0.00 0.00 55.97 54.16 1s1h s LYS 37 Cb 0.10 -0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.23 1s1h s LYS 37 CO 0.72 -0.20 1.32 0.54 -0.92 0.00 0.00 175.35 176.81 1s1h s ASN 38 N -3.16 6.93 0.00 2.83 4.22 -1.26 -4.91 114.94 119.59 1s1h s ASN 38 Ca 0.27 2.02 0.00 0.00 -2.14 0.00 0.00 52.86 53.01 1s1h s ASN 38 Cb 0.07 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 40.03 1s1h s ASN 38 CO 0.05 -0.65 0.00 1.17 -2.04 0.00 0.00 177.10 175.63 1s1h n LYS 39 N 5.13 0.00 -3.47 3.55 3.00 -1.26 -5.07 118.16 120.04 1s1h n LYS 39 Ca 0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.08 1s1h n LYS 39 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.42 1s1h n LYS 39 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1s1h s LYS 40 N -1.66 3.85 0.17 1.64 1.02 -1.26 -4.84 119.74 118.65 1s1h s LYS 40 Ca 0.00 0.31 -0.00 0.00 0.02 0.00 0.00 55.97 56.30 1s1h s LYS 40 Cb 0.00 -2.94 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1s1h s LYS 40 CO 0.00 0.50 1.39 1.05 -0.92 0.00 0.00 175.35 177.38 1s1h h GLU 41 N 3.53 0.32 -6.63 1.68 4.11 -1.94 -3.45 114.58 112.20 1s1h h GLU 41 Ca -0.49 -0.30 -0.52 0.00 0.07 0.00 0.00 59.36 58.12 1s1h h GLU 41 Cb 1.19 0.08 0.05 0.00 0.50 0.00 0.00 28.75 30.57 1s1h h GLU 41 CO 0.67 0.98 1.02 0.42 0.07 0.00 0.00 179.01 182.16 1s1h s ILE 42 N -3.40 2.15 0.34 -1.06 1.01 -1.26 -4.41 121.20 114.57 1s1h s ILE 42 Ca -0.05 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 1s1h s ILE 42 Cb 0.10 -3.03 -0.12 0.00 0.01 0.00 0.00 42.46 39.41 1s1h s ILE 42 CO 0.84 0.00 1.25 -1.22 0.00 0.00 0.00 174.94 175.82 1s1h n TYR 43 N 4.25 2.15 0.12 3.97 4.01 -1.26 -4.72 117.16 125.68 1s1h n TYR 43 Ca 0.16 0.57 -0.13 0.00 -0.16 0.00 0.00 57.90 58.33 1s1h n TYR 43 Cb 0.36 -2.39 -0.08 0.00 -0.31 0.00 0.00 39.34 36.91 1s1h n TYR 43 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1s1h h ARG 44 N 2.44 -0.30 -5.72 -0.72 9.65 -1.88 -3.35 114.38 114.51 1s1h h ARG 44 Ca -0.45 0.02 -0.48 0.00 -1.10 0.00 0.00 59.98 57.96 1s1h h ARG 44 Cb 1.29 0.07 -0.15 0.00 -1.39 0.00 0.00 29.97 29.78 1s1h h ARG 44 CO 0.62 0.02 -0.75 0.96 2.80 0.00 0.00 179.97 183.62 1s1h s ILE 45 N -4.81 1.82 0.00 1.20 -4.36 -1.26 -4.54 121.20 109.25 1s1h s ILE 45 Ca -0.14 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.10 1s1h s ILE 45 Cb 0.03 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.73 1s1h s ILE 45 CO 0.58 -0.50 0.00 -1.20 0.24 0.00 0.00 174.94 174.06 1s1h n SER 46 N -0.21 0.00 -2.79 4.36 7.64 -1.26 -4.04 113.62 117.32 1s1h n SER 46 Ca -0.09 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.69 1s1h n SER 46 Cb 0.59 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.85 1s1h n SER 46 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1s1h n PHE 47 N 0.00 -2.78 -0.26 1.43 3.72 -1.26 -4.94 117.46 113.37 1s1h n PHE 47 Ca 0.00 -2.14 -0.07 0.00 -0.05 0.00 0.00 57.45 55.19 1s1h n PHE 47 Cb 0.00 1.38 0.05 0.00 -0.94 0.00 0.00 39.48 39.97 1s1h n PHE 47 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1s1h h GLN 48 N 3.50 1.14 -0.37 -1.08 -0.00 -1.70 -2.94 115.11 113.66 1s1h h GLN 48 Ca -0.10 -0.25 -0.11 0.00 -0.00 0.00 0.00 58.65 58.19 1s1h h GLN 48 Cb 1.05 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.48 28.36 1s1h h GLN 48 CO 0.26 0.98 -0.19 1.25 -0.00 0.00 0.00 178.83 181.13 1s1h h LEU 49 N 1.09 0.81-10.06 0.06 5.85 -1.92 -3.38 115.31 107.76 1s1h h LEU 49 Ca 0.23 -0.41 -0.54 0.00 0.84 0.00 0.00 57.88 58.00 1s1h h LEU 49 Cb 0.32 -0.22 0.13 0.00 0.37 0.00 0.00 40.66 41.25 1s1h h LEU 49 CO -0.01 1.04 0.56 -0.44 -0.34 0.00 0.00 178.44 179.26 1s1h s SER 50 N -6.50 5.23 0.08 1.25 0.01 -1.11 -4.95 113.70 107.71 1s1h s SER 50 Ca -0.12 2.64 -0.17 0.00 1.31 0.00 0.00 55.95 59.61 1s1h s SER 50 Cb 0.10 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.64 1s1h s SER 50 CO 0.83 -1.59 0.54 -0.75 0.41 0.00 0.00 173.24 172.68 1s1h s LYS 51 N -3.03 4.09 0.00 12.44 2.20 -1.26 -5.02 119.74 129.16 1s1h s LYS 51 Ca 0.74 0.62 0.07 0.00 -0.36 0.00 0.00 55.97 57.04 1s1h s LYS 51 Cb -0.37 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1s1h s LYS 51 CO 0.43 0.60 -0.23 -1.50 -0.36 0.00 0.00 175.35 174.29 1s1h s ILE 52 N -1.20 1.83 0.00 5.43 2.07 -1.26 -5.13 121.20 122.93 1s1h s ILE 52 Ca 0.31 -1.08 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 1s1h s ILE 52 Cb -0.18 -1.53 0.00 0.00 0.13 0.00 0.00 42.46 40.88 1s1h s ILE 52 CO 0.18 0.43 0.00 -1.14 -1.91 0.00 0.00 174.94 172.51 1s1h n ARG 53 N 2.29 2.64 -1.69 3.50 0.63 -1.26 -5.04 116.66 117.74 1s1h n ARG 53 Ca -0.16 0.00 -0.58 0.00 -0.92 0.00 0.00 57.85 56.19 1s1h n ARG 53 Cb 0.52 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.36 1s1h n ARG 53 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1s1h n ARG 54 N 0.00 0.99 -2.41 -0.14 1.85 -1.26 -4.93 116.66 110.77 1s1h n ARG 54 Ca 0.00 0.36 -0.24 0.00 -1.00 0.00 0.00 57.85 56.97 1s1h n ARG 54 Cb 0.00 -2.01 0.05 0.00 -1.05 0.00 0.00 32.46 29.45 1s1h n ARG 54 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s1h s ALA 55 N 2.82 3.44 0.80 2.89 0.00 -1.26 -5.08 121.76 125.38 1s1h s ALA 55 Ca 0.96 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1s1h s ALA 55 Cb -1.10 -2.41 0.07 0.00 0.00 0.00 0.00 23.12 19.68 1s1h s ALA 55 CO 0.64 -1.01 1.13 0.00 0.00 0.00 0.00 175.76 176.51 1s1h s ALA 56 N -3.02 2.40 0.22 0.00 0.00 -1.26 -4.81 121.76 115.28 1s1h s ALA 56 Ca 0.58 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 1s1h s ALA 56 Cb -0.11 -3.04 0.18 0.00 0.00 0.00 0.00 23.12 20.16 1s1h s ALA 56 CO 0.42 -1.70 1.89 -0.09 0.00 0.00 0.00 175.76 176.28 1s1h h ARG 57 N -1.07 1.03 -0.06 0.00 2.43 -1.98 0.31 114.38 115.04 1s1h h ARG 57 Ca -0.47 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1s1h h ARG 57 Cb 1.29 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1s1h h ARG 57 CO 0.63 0.68 0.03 -0.44 -1.51 0.00 0.00 179.97 179.35 1s1h h ASP 58 N 1.06 0.09 -0.65 -3.80 3.32 -2.00 0.21 116.42 114.65 1s1h h ASP 58 Ca 0.29 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1s1h h ASP 58 Cb -0.10 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1s1h h ASP 58 CO -0.07 0.22 0.27 0.25 -1.72 0.00 0.00 179.24 178.19 1s1h h LEU 59 N -0.05 0.91 -0.62 1.55 5.85 -1.81 -0.98 115.31 120.15 1s1h h LEU 59 Ca 0.02 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1s1h h LEU 59 Cb 0.16 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1s1h h LEU 59 CO -0.00 0.81 0.38 0.25 -0.34 0.00 0.00 178.44 179.54 1s1h h LEU 60 N 0.97 0.74 0.08 2.25 6.46 0.25 0.54 115.31 126.60 1s1h h LEU 60 Ca 0.23 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1s1h h LEU 60 Cb 0.18 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1s1h h LEU 60 CO -0.02 0.57 -0.04 0.00 -0.62 0.00 0.00 178.44 178.33 1s1h h THR 61 N 0.84 1.03 -0.20 1.05 1.03 0.79 0.73 112.91 118.17 1s1h h THR 61 Ca 0.22 -0.38 -0.06 0.00 -0.01 0.00 0.00 66.41 66.19 1s1h h THR 61 Cb -0.04 1.28 -0.01 0.00 -1.07 0.00 0.00 68.15 68.31 1s1h h THR 61 CO -0.04 0.09 -0.09 -0.09 -0.01 0.00 0.00 175.52 175.38 1s1h h ARG 62 N -0.28 0.41 -0.29 0.00 2.43 -1.34 -2.37 114.38 112.95 1s1h h ARG 62 Ca -0.01 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1s1h h ARG 62 Cb 0.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1s1h h ARG 62 CO 0.02 0.70 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.74 1s1h h ASP 63 N 0.11 0.41 -0.75 -3.80 3.32 -0.82 -1.05 116.42 113.84 1s1h h ASP 63 Ca 0.04 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1s1h h ASP 63 Cb 0.58 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1s1h h ASP 63 CO 0.03 0.48 0.30 -0.33 -1.72 0.00 0.00 179.24 178.00 1s1h h GLU 64 N 0.43 1.13 0.26 3.56 4.39 0.91 -2.75 114.58 122.52 1s1h h GLU 64 Ca 0.10 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1s1h h GLU 64 Cb 0.29 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1s1h h GLU 64 CO 0.01 0.92 -0.20 -0.22 -1.16 0.00 0.00 179.01 178.36 1s1h h LYS 65 N 1.09 -0.46 -0.15 2.33 3.64 -0.69 -0.24 116.57 122.09 1s1h h LYS 65 Ca 0.25 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1s1h h LYS 65 Cb 0.21 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1s1h h LYS 65 CO -0.02 -0.30 0.07 -0.44 -2.27 0.00 0.00 179.45 176.49 1s1h h ASP 66 N -0.47 0.19 -0.76 4.20 3.32 -1.39 -2.26 116.42 119.25 1s1h h ASP 66 Ca -0.02 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1s1h h ASP 66 Cb 0.42 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1s1h h ASP 66 CO -0.01 0.25 0.29 -0.65 -1.72 0.00 0.00 179.24 177.40 1s1h h PRO 67 N 0.12 1.14 -1.00 3.56 0.10 -1.34 0.18 132.00 134.76 1s1h h PRO 67 Ca 0.05 -0.21 0.02 0.00 0.10 0.00 0.00 66.00 65.95 1s1h h PRO 67 Cb 0.10 -0.18 -0.05 0.00 0.10 0.00 0.00 31.00 30.97 1s1h h PRO 67 CO -0.01 0.94 0.66 -0.22 0.10 0.00 0.00 178.00 179.47 1s1h h LYS 68 N 1.10 1.30 -0.19 1.05 1.63 -0.69 0.92 116.57 121.69 1s1h h LYS 68 Ca 0.25 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.92 1s1h h LYS 68 Cb 0.23 -0.29 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1s1h h LYS 68 CO -0.02 0.86 -0.10 -0.09 -3.45 0.00 0.00 179.45 176.65 1s1h h ARG 69 N 1.34 0.40 -0.22 1.90 2.43 -1.33 -3.21 114.38 115.69 1s1h h ARG 69 Ca 0.38 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1s1h h ARG 69 Cb -0.12 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1s1h h ARG 69 CO -0.09 0.71 -0.00 1.25 -1.51 0.00 0.00 179.97 180.32 1s1h h LEU 70 N 0.08 0.29 -0.08 3.80 5.85 0.62 -0.61 115.31 125.26 1s1h h LEU 70 Ca 0.04 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1s1h h LEU 70 Cb 0.60 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1s1h h LEU 70 CO 0.03 0.35 0.02 0.15 -0.34 0.00 0.00 178.44 178.65 1s1h h PHE 71 N 0.31 0.04 0.00 1.25 3.57 -0.87 -1.64 116.94 119.60 1s1h h PHE 71 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1s1h h PHE 71 Cb 0.22 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1s1h h PHE 71 CO 0.00 0.02 -0.03 0.93 -2.23 0.00 0.00 178.31 177.01 1s1h h GLU 72 N 0.06 0.00 -3.54 1.11 5.08 -1.45 -3.47 114.58 112.37 1s1h h GLU 72 Ca 0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 1s1h h GLU 72 Cb 0.02 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.33 1s1h h GLU 72 CO -0.04 0.03 -0.44 0.41 -1.00 0.00 0.00 179.01 177.96 1s1h n GLY 73 N 0.48 -0.16 3.59 -3.84 0.00 -0.31 -4.97 105.19 99.98 1s1h n GLY 73 Ca 0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1s1h n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1h s ASN 74 N -2.88 4.25 0.66 1.61 4.22 -1.20 -4.89 114.94 116.72 1s1h s ASN 74 Ca 0.26 -0.77 -0.13 0.00 -2.14 0.00 0.00 52.86 50.08 1s1h s ASN 74 Cb -0.11 -0.68 -0.00 0.00 1.28 0.00 0.00 41.25 41.74 1s1h s ASN 74 CO 0.32 0.01 1.07 0.00 -2.04 0.00 0.00 177.10 176.46 1s1h s ALA 75 N -2.38 2.62 0.26 3.54 0.00 -1.26 -4.80 121.76 119.74 1s1h s ALA 75 Ca 0.31 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 1s1h s ALA 75 Cb -0.06 -3.23 0.33 0.00 0.00 0.00 0.00 23.12 20.16 1s1h s ALA 75 CO 0.18 -1.14 1.86 -0.07 0.00 0.00 0.00 175.76 176.60 1s1h h LEU 76 N -0.23 0.96 -0.16 0.00 -0.00 -1.98 -0.69 115.31 113.21 1s1h h LEU 76 Ca -0.45 -0.11 0.01 0.00 -0.00 0.00 0.00 57.88 57.32 1s1h h LEU 76 Cb 1.22 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1s1h h LEU 76 CO 0.56 0.82 0.08 -0.29 -0.00 0.00 0.00 178.44 179.61 1s1h h ILE 77 N 1.05 1.00 -0.42 1.22 2.10 -2.00 0.60 117.51 121.08 1s1h h ILE 77 Ca 0.25 -0.06 -0.11 0.00 1.08 0.00 0.00 64.86 66.02 1s1h h ILE 77 Cb 0.12 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 36.65 1s1h h ILE 77 CO -0.03 0.03 -0.18 0.03 -1.08 0.00 0.00 178.15 176.92 1s1h h ARG 78 N 0.17 0.86 -0.76 2.19 3.08 -1.89 -3.09 114.38 114.94 1s1h h ARG 78 Ca 0.06 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1s1h h ARG 78 Cb 0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1s1h h ARG 78 CO -0.04 1.01 0.49 -0.09 -1.07 0.00 0.00 179.97 180.26 1s1h h ARG 79 N 0.67 1.02 -0.40 0.04 2.43 -0.33 -2.57 114.38 115.25 1s1h h ARG 79 Ca 0.09 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1s1h h ARG 79 Cb 0.74 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1s1h h ARG 79 CO 0.06 0.69 0.26 -0.07 -1.51 0.00 0.00 179.97 179.40 1s1h h LEU 80 N 1.04 0.44 -0.63 3.80 3.38 0.27 -1.03 115.31 122.58 1s1h h LEU 80 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1s1h h LEU 80 Cb -0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1s1h h LEU 80 CO -0.06 0.32 0.40 0.58 0.09 0.00 0.00 178.44 179.77 1s1h h VAL 81 N 0.52 1.17 -0.36 1.22 2.07 -1.43 0.29 116.25 119.73 1s1h h VAL 81 Ca 0.15 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1s1h h VAL 81 Cb -0.04 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1s1h h VAL 81 CO -0.04 0.17 0.23 0.03 0.02 0.00 0.00 177.57 177.98 1s1h h ARG 82 N 0.85 0.48 -0.60 1.57 2.47 -1.12 -1.42 114.38 116.62 1s1h h ARG 82 Ca 0.23 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.87 1s1h h ARG 82 Cb -0.07 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.12 1s1h h ARG 82 CO -0.05 0.34 0.22 0.28 0.56 0.00 0.00 179.97 181.32 1s1h h VAL 83 N 0.48 1.23 -0.96 2.04 2.07 -0.34 -1.61 116.25 119.16 1s1h h VAL 83 Ca 0.13 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1s1h h VAL 83 Cb -0.03 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1s1h h VAL 83 CO -0.03 0.29 0.63 1.23 0.02 0.00 0.00 177.57 179.71 1s1h h GLY 84 N 0.83 1.36 0.82 2.17 0.00 -0.39 0.34 103.07 108.21 1s1h h GLY 84 Ca 0.20 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1s1h h GLY 84 CO -0.01 0.47 -0.03 -0.24 0.00 0.00 0.00 176.54 176.73 1s1h h VAL 85 N 1.28 1.27 0.00 4.60 3.04 -0.61 -2.45 116.25 123.38 1s1h h VAL 85 Ca 0.36 -0.98 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 1s1h h VAL 85 Cb -0.12 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 1s1h h VAL 85 CO -0.08 0.30 -0.24 -0.07 -1.01 0.00 0.00 177.57 176.47 1s1h h LEU 86 N 0.15 0.00 -0.40 3.16 -0.00 -0.33 -2.20 115.31 115.69 1s1h h LEU 86 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.82 1s1h h LEU 86 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1s1h h LEU 86 CO 0.02 0.24 -0.22 0.77 -0.00 0.00 0.00 178.44 179.24 1s1h h SER 87 N 0.00 0.89 -0.37 -0.43 4.64 -0.14 -3.22 113.55 114.92 1s1h h SER 87 Ca -0.00 -0.42 -0.07 0.00 -0.47 0.00 0.00 61.79 60.84 1s1h h SER 87 Cb 0.47 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1s1h h SER 87 CO 0.03 1.11 -0.02 -0.08 -0.87 0.00 0.00 176.83 177.00 1s1h h GLU 88 N 0.67 0.67 -7.00 4.77 4.57 -0.93 -3.43 114.58 113.89 1s1h h GLU 88 Ca 0.09 -0.23 -0.53 0.00 -1.18 0.00 0.00 59.36 57.51 1s1h h GLU 88 Cb 0.79 -0.05 0.10 0.00 -0.16 0.00 0.00 28.75 29.43 1s1h h GLU 88 CO 0.06 0.79 0.58 -0.51 -1.18 0.00 0.00 179.01 178.75 1s1h s ASP 89 N -6.20 5.85 0.72 1.04 1.01 -0.96 -4.96 116.67 113.16 1s1h s ASP 89 Ca -0.13 2.61 -0.11 0.00 0.71 0.00 0.00 52.55 55.63 1s1h s ASP 89 Cb 0.09 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.42 1s1h s ASP 89 CO 0.79 -1.16 1.09 -0.54 0.21 0.00 0.00 175.17 175.55 1s1h s LYS 90 N -2.64 2.77 0.00 8.23 1.02 -1.26 -4.81 119.74 123.04 1s1h s LYS 90 Ca 0.65 0.59 0.00 0.00 0.02 0.00 0.00 55.97 57.22 1s1h s LYS 90 Cb -0.36 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1s1h s LYS 90 CO 0.45 -1.13 0.00 1.63 -0.92 0.00 0.00 175.35 175.38 1s1h n LYS 91 N -3.09 0.00 -1.69 1.68 5.02 -1.26 -4.93 118.16 113.89 1s1h n LYS 91 Ca 0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 1s1h n LYS 91 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.54 1s1h n LYS 91 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s1h n LYS 92 N 1.42 2.68 -0.37 1.97 5.02 -1.26 -4.80 118.16 122.82 1s1h n LYS 92 Ca 0.00 0.97 -0.00 0.00 -2.02 0.00 0.00 58.31 57.26 1s1h n LYS 92 Cb 0.00 -2.85 0.13 0.00 -0.02 0.00 0.00 35.03 32.29 1s1h n LYS 92 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1s1h h LEU 93 N 8.27 1.12 0.57 -0.35 5.85 -1.87 -2.18 115.31 126.71 1s1h h LEU 93 Ca -0.46 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1s1h h LEU 93 Cb 1.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1s1h h LEU 93 CO 0.94 0.78 -0.37 -0.78 -0.34 0.00 0.00 178.44 178.67 1s1h h ASP 94 N 1.30 -0.95 -0.14 1.25 1.82 -1.91 0.63 116.42 118.42 1s1h h ASP 94 Ca 0.39 0.06 -0.20 0.00 -0.39 0.00 0.00 57.03 56.89 1s1h h ASP 94 Cb -0.06 0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1s1h h ASP 94 CO -0.11 -0.57 -0.67 0.10 -1.61 0.00 0.00 179.24 176.38 1s1h h TYR 95 N -0.90 1.00 -0.85 0.28 -0.00 -1.93 0.39 116.97 114.96 1s1h h TYR 95 Ca -0.07 -0.40 0.02 0.00 0.00 0.00 0.00 58.73 58.27 1s1h h TYR 95 Cb 0.74 -0.17 -0.04 0.00 0.00 0.00 0.00 36.73 37.26 1s1h h TYR 95 CO -0.12 1.22 0.56 -0.24 -0.00 0.00 0.00 178.16 179.58 1s1h h VAL 96 N 0.56 1.20 -0.52 -0.90 3.04 -1.22 0.45 116.25 118.86 1s1h h VAL 96 Ca -0.02 -0.39 -0.08 0.00 -1.01 0.00 0.00 66.70 65.20 1s1h h VAL 96 Cb 1.28 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 1s1h h VAL 96 CO 0.14 0.20 0.01 0.25 -1.01 0.00 0.00 177.57 177.17 1s1h h LEU 97 N 1.12 0.88 -0.40 3.16 6.46 0.57 -3.19 115.31 123.92 1s1h h LEU 97 Ca 0.32 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1s1h h LEU 97 Cb -0.09 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.58 1s1h h LEU 97 CO -0.08 0.97 0.26 0.00 -0.62 0.00 0.00 178.44 178.97 1s1h h ALA 98 N 0.95 0.51 -5.18 1.25 0.00 0.42 -3.08 119.26 114.14 1s1h h ALA 98 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s1h h ALA 98 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1s1h h ALA 98 CO 0.02 -0.02 -0.73 -0.11 0.00 0.00 0.00 179.25 178.41 1s1h n LEU 99 N -4.79 -7.93 -0.05 0.00 -0.00 0.07 -2.48 117.00 101.81 1s1h n LEU 99 Ca 0.00 0.97 -0.11 0.00 -0.00 0.00 0.00 56.01 56.87 1s1h n LEU 99 Cb 0.03 -3.35 -0.05 0.00 -0.00 0.00 0.00 43.42 40.05 1s1h n LEU 99 CO 0.35 -2.76 0.77 0.50 -0.00 0.00 0.00 177.39 176.25 1s1h h LYS 100 N 2.48 0.29 0.00 1.96 3.11 -0.84 -2.01 116.57 121.56 1s1h h LYS 100 Ca 0.00 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1s1h h LYS 100 Cb 0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1s1h h LYS 100 CO 0.15 0.48 0.00 0.28 -2.81 0.00 0.00 179.45 177.55 1s1h n VAL 101 N -4.76 0.00 0.09 2.00 0.31 -0.30 -4.59 118.33 111.08 1s1h n VAL 101 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.25 1s1h n VAL 101 Cb 0.20 1.54 -0.02 0.00 -0.91 0.00 0.00 33.84 34.65 1s1h n VAL 101 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1s1h h GLU 102 N 0.00 -0.21 -2.66 5.55 4.81 -0.26 -3.10 114.58 118.71 1s1h h GLU 102 Ca 0.00 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1s1h h GLU 102 Cb 0.33 0.05 -0.29 0.00 0.63 0.00 0.00 28.75 29.47 1s1h h GLU 102 CO 0.00 -0.14 -0.42 0.34 -0.73 0.00 0.00 179.01 178.06 1s1h s ASP 103 N -2.45 -0.06 0.00 1.04 2.15 -1.21 -4.62 116.67 111.52 1s1h s ASP 103 Ca -0.03 0.84 0.00 0.00 0.43 0.00 0.00 52.55 53.78 1s1h s ASP 103 Cb 0.00 1.06 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 1s1h s ASP 103 CO 0.10 -0.23 0.00 0.49 -0.17 0.00 0.00 175.17 175.36 1s1h n PHE 104 N 5.27 0.00 0.10 -5.34 3.72 -1.26 -2.57 117.46 117.37 1s1h n PHE 104 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 1s1h n PHE 104 Cb 0.50 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 1s1h n PHE 104 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1s1h h LEU 105 N 0.00 -0.53 0.00 4.37 3.38 -1.57 0.55 115.31 121.51 1s1h h LEU 105 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1s1h h LEU 105 Cb 0.00 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1s1h h LEU 105 CO 0.00 -0.27 0.00 -0.62 0.09 0.00 0.00 178.44 177.64 1s1h n GLU 106 N -5.32 0.12 0.24 1.13 1.02 -0.76 -2.99 120.64 114.09 1s1h n GLU 106 Ca -0.06 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 1s1h n GLU 106 Cb 0.23 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.77 1s1h n GLU 106 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1s1h h ARG 107 N 0.00 0.00 -6.93 3.49 2.43 -1.12 -3.34 114.38 108.90 1s1h h ARG 107 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 1s1h h ARG 107 Cb 0.37 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 30.01 1s1h h ARG 107 CO 0.00 0.17 0.69 -0.98 -1.51 0.00 0.00 179.97 178.34 1s1h s ARG 108 N -4.05 4.08 0.27 0.20 1.70 -1.16 -0.70 118.95 119.28 1s1h s ARG 108 Ca -0.02 2.35 -0.04 0.00 -0.47 0.00 0.00 55.73 57.56 1s1h s ARG 108 Cb 0.12 -2.90 0.36 0.00 -0.57 0.00 0.00 34.95 31.97 1s1h s ARG 108 CO 0.61 -0.47 1.94 1.25 -1.08 0.00 0.00 175.30 177.55 1s1h h LEU 109 N 2.92 1.05 -0.90 -1.89 6.46 -0.17 0.16 115.31 122.93 1s1h h LEU 109 Ca -0.50 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.22 1s1h h LEU 109 Cb 1.24 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.88 1s1h h LEU 109 CO 0.64 0.74 0.46 -0.61 -0.62 0.00 0.00 178.44 179.05 1s1h h GLN 110 N 1.23 1.24 -0.24 1.25 4.15 -1.77 -1.78 115.11 119.20 1s1h h GLN 110 Ca 0.36 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 1s1h h GLN 110 Cb -0.08 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.37 1s1h h GLN 110 CO -0.09 0.92 -0.11 1.15 -1.93 0.00 0.00 178.83 178.77 1s1h h THR 111 N 1.24 1.30 -0.65 2.39 2.02 -1.05 -3.10 112.91 115.07 1s1h h THR 111 Ca 0.31 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1s1h h THR 111 Cb 0.06 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1s1h h THR 111 CO -0.05 0.36 0.40 1.56 0.37 0.00 0.00 175.52 178.16 1s1h h GLN 112 N 0.21 0.75 -0.99 6.66 1.08 -0.68 0.14 115.11 122.29 1s1h h GLN 112 Ca 0.05 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1s1h h GLN 112 Cb 0.61 -0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 27.80 1s1h h GLN 112 CO 0.03 0.50 0.63 -0.39 -0.95 0.00 0.00 178.83 178.65 1s1h h VAL 113 N 0.77 1.08 -0.47 -0.54 -1.51 -1.34 0.54 116.25 114.79 1s1h h VAL 113 Ca 0.26 -0.39 -0.03 0.00 -1.23 0.00 0.00 66.70 65.31 1s1h h VAL 113 Cb 0.04 -0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 29.01 1s1h h VAL 113 CO -0.11 0.21 0.17 0.22 -1.23 0.00 0.00 177.57 176.83 1s1h h TYR 114 N 1.15 0.73 -0.38 5.19 3.20 -0.77 -2.22 116.97 123.88 1s1h h TYR 114 Ca 0.43 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1s1h h TYR 114 Cb 0.17 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1s1h h TYR 114 CO -0.01 0.63 0.06 -0.22 -1.64 0.00 0.00 178.16 176.98 1s1h h LYS 115 N 0.62 0.57 0.00 1.82 3.64 0.17 -1.38 116.57 122.00 1s1h h LYS 115 Ca 0.16 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1s1h h LYS 115 Cb 0.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1s1h h LYS 115 CO -0.01 0.55 0.00 -0.07 -2.27 0.00 0.00 179.45 177.65 1s1h h LEU 116 N 0.55 0.00 0.00 5.20 3.38 0.41 -3.46 115.31 121.39 1s1h h LEU 116 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1s1h h LEU 116 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1s1h h LEU 116 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1s1h n GLY 117 N 0.00 0.66 0.17 0.83 0.00 -0.52 -4.91 105.19 101.42 1s1h n GLY 117 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1s1h n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s1h h LEU 118 N 0.00 0.45 -9.31 0.99 -0.00 -1.63 -3.43 115.31 102.38 1s1h h LEU 118 Ca 0.00 -0.04 -0.66 0.00 -0.00 0.00 0.00 57.88 57.19 1s1h h LEU 118 Cb 0.00 -0.11 -0.15 0.00 -0.00 0.00 0.00 40.66 40.40 1s1h h LEU 118 CO 0.00 0.36 -0.72 0.00 -0.00 0.00 0.00 178.44 178.08 1s1h s ALA 119 N -6.06 3.02 0.16 1.53 0.00 -1.24 -4.52 121.76 114.65 1s1h s ALA 119 Ca -0.13 -1.26 -0.09 0.00 0.00 0.00 0.00 51.96 50.49 1s1h s ALA 119 Cb 0.10 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1s1h s ALA 119 CO 0.73 0.63 1.52 0.87 0.00 0.00 0.00 175.76 179.50 1s1h h LYS 120 N 3.46 0.90 -5.24 0.00 1.57 -1.91 -3.44 116.57 111.91 1s1h h LYS 120 Ca -0.48 -0.44 -0.50 0.00 -1.87 0.00 0.00 60.65 57.36 1s1h h LYS 120 Cb 1.17 -0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 1s1h h LYS 120 CO 0.54 1.09 -0.60 -1.54 -0.57 0.00 0.00 179.45 178.37 1s1h s SER 121 N -6.81 2.56 0.18 0.86 1.04 -1.26 -4.02 113.70 106.24 1s1h s SER 121 Ca -0.10 -1.41 -0.08 0.00 0.48 0.00 0.00 55.95 54.83 1s1h s SER 121 Cb 0.12 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.26 1s1h s SER 121 CO 0.87 -0.63 1.57 -0.37 0.98 0.00 0.00 173.24 175.65 1s1h h VAL 122 N 2.04 1.27 -0.36 5.02 -1.51 -1.83 -1.93 116.25 118.94 1s1h h VAL 122 Ca -0.41 -1.38 -0.06 0.00 -1.23 0.00 0.00 66.70 63.63 1s1h h VAL 122 Cb 1.25 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 1s1h h VAL 122 CO 0.69 0.47 -0.00 -0.74 -1.23 0.00 0.00 177.57 176.76 1s1h h HIS 123 N 0.81 0.70 -0.83 5.19 -0.00 -1.89 -0.69 115.15 118.44 1s1h h HIS 123 Ca 0.11 -0.12 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1s1h h HIS 123 Cb 0.79 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.97 1s1h h HIS 123 CO 0.05 0.74 0.55 1.25 -0.00 0.00 0.00 177.93 180.52 1s1h h HIS 124 N 0.46 1.03 -0.78 5.26 6.17 -1.88 0.29 115.15 125.69 1s1h h HIS 124 Ca 0.10 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 1s1h h HIS 124 Cb 0.46 -0.35 -0.04 0.00 2.52 0.00 0.00 27.41 30.01 1s1h h HIS 124 CO 0.04 0.64 0.40 0.00 0.71 0.00 0.00 177.93 179.72 1s1h h ALA 125 N 1.31 1.23 -0.62 5.26 0.00 -1.06 0.03 119.26 125.40 1s1h h ALA 125 Ca 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1s1h h ALA 125 Cb -0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1s1h h ALA 125 CO -0.07 0.60 0.35 -0.09 0.00 0.00 0.00 179.25 180.04 1s1h h ARG 126 N 1.10 0.86 -0.43 0.00 2.43 0.10 0.20 114.38 118.65 1s1h h ARG 126 Ca 0.27 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1s1h h ARG 126 Cb 0.07 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1s1h h ARG 126 CO -0.04 0.65 -0.20 -0.39 -1.51 0.00 0.00 179.97 178.48 1s1h h VAL 127 N 0.84 1.27 -0.55 0.20 -1.51 -0.26 -0.54 116.25 115.70 1s1h h VAL 127 Ca 0.22 -1.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 1s1h h VAL 127 Cb 0.03 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 1s1h h VAL 127 CO -0.04 0.45 0.35 -0.07 -1.23 0.00 0.00 177.57 177.03 1s1h h LEU 128 N 0.74 0.65 -0.45 4.19 3.38 -0.15 0.78 115.31 124.46 1s1h h LEU 128 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1s1h h LEU 128 Cb 0.73 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1s1h h LEU 128 CO 0.06 0.50 0.08 -0.29 0.09 0.00 0.00 178.44 178.88 1s1h h ILE 129 N 0.74 1.24 -0.55 1.22 -0.00 -0.71 0.32 117.51 119.78 1s1h h ILE 129 Ca 0.20 -0.88 -0.11 0.00 -0.00 0.00 0.00 64.86 64.07 1s1h h ILE 129 Cb -0.04 0.95 -0.02 0.00 -0.00 0.00 0.00 36.82 37.71 1s1h h ILE 129 CO -0.04 0.31 -0.10 0.00 -0.00 0.00 0.00 178.15 178.32 1s1h h THR 130 N 0.60 1.27 0.00 2.19 1.03 -0.38 -2.48 112.91 115.14 1s1h h THR 130 Ca 0.14 -1.26 0.00 0.00 -0.01 0.00 0.00 66.41 65.28 1s1h h THR 130 Cb 0.37 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1s1h h THR 130 CO 0.01 0.45 0.00 1.67 -0.01 0.00 0.00 175.52 177.63 1s1h n GLN 131 N -4.15 0.16 -0.77 0.00 -0.06 0.27 -4.80 117.38 108.03 1s1h n GLN 131 Ca 0.02 0.47 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 1s1h n GLN 131 Cb 0.40 -1.86 0.00 0.00 -4.06 0.00 0.00 30.24 24.72 1s1h n GLN 131 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1s1h n ARG 132 N -2.18 0.00 -0.08 3.69 1.74 -0.82 -4.92 116.66 114.11 1s1h n ARG 132 Ca 0.01 0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 57.11 1s1h n ARG 132 Cb 0.17 -2.35 0.02 0.00 -1.02 0.00 0.00 32.46 29.27 1s1h n ARG 132 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1s1h n HIS 133 N -2.77 0.19 -4.15 -1.55 8.25 0.04 -4.73 115.22 110.51 1s1h n HIS 133 Ca 0.00 -0.47 -0.14 0.00 -0.26 0.00 0.00 57.72 56.85 1s1h n HIS 133 Cb 0.00 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 30.74 1s1h n HIS 133 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1s1h s ILE 134 N -0.41 0.83 0.07 1.59 -1.09 -1.25 -1.56 121.20 119.38 1s1h s ILE 134 Ca 0.04 -1.50 0.02 0.00 -2.23 0.00 0.00 60.65 56.97 1s1h s ILE 134 Cb 0.03 -1.18 -0.03 0.00 -1.58 0.00 0.00 42.46 39.69 1s1h s ILE 134 CO 0.01 -0.52 -0.07 0.00 -1.23 0.00 0.00 174.94 173.13 1s1h s ALA 135 N -2.19 0.77 -0.22 9.38 0.00 0.41 -3.47 121.76 126.44 1s1h s ALA 135 Ca 0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1s1h s ALA 135 Cb -0.04 0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.27 1s1h s ALA 135 CO -0.00 -0.13 0.18 0.14 0.00 0.00 0.00 175.76 175.95 1s1h s VAL 136 N -2.49 -0.23 -0.59 0.00 -7.23 0.61 -2.59 120.40 107.88 1s1h s VAL 136 Ca 0.01 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1s1h s VAL 136 Cb -0.02 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.18 1s1h s VAL 136 CO -0.02 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1s1h n GLY 137 N 5.30 0.63 3.96 2.32 0.00 -0.98 -2.67 105.19 113.75 1s1h n GLY 137 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1s1h n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s1h n LYS 138 N -2.47 0.00 -2.34 1.61 5.02 -1.26 -4.97 118.16 113.75 1s1h n LYS 138 Ca -0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.81 1s1h n LYS 138 Cb 0.30 -0.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.88 1s1h n LYS 138 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1s1h s GLN 139 N -0.00 4.46 0.06 1.97 2.00 -1.09 -4.92 119.66 122.14 1s1h s GLN 139 Ca 0.00 1.90 -0.29 0.00 -2.00 0.00 0.00 55.36 54.97 1s1h s GLN 139 Cb 0.00 -3.25 -0.05 0.00 0.80 0.00 0.00 33.01 30.52 1s1h s GLN 139 CO 0.00 -0.15 0.91 -1.50 -0.50 0.00 0.00 175.29 174.05 1s1h s ILE 140 N 0.17 4.68 -0.08 -2.34 2.07 -1.26 -0.28 121.20 124.15 1s1h s ILE 140 Ca 0.55 1.94 0.02 0.00 -1.41 0.00 0.00 60.65 61.75 1s1h s ILE 140 Cb -0.33 -4.26 0.01 0.00 0.13 0.00 0.00 42.46 38.01 1s1h s ILE 140 CO 0.36 0.28 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.85 1s1h s VAL 141 N 0.31 1.21 -0.38 4.00 1.01 -1.23 -4.91 120.40 120.41 1s1h s VAL 141 Ca 0.46 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1s1h s VAL 141 Cb -0.22 -1.11 0.46 0.00 0.00 0.00 0.00 36.38 35.50 1s1h s VAL 141 CO 0.27 0.38 1.38 -0.46 0.00 0.00 0.00 175.10 176.67 1s1h n ASN 142 N 4.01 5.56 -4.18 3.32 6.94 -1.25 -4.68 115.26 124.98 1s1h n ASN 142 Ca -0.21 -3.76 -0.35 0.00 -0.02 0.00 0.00 54.58 50.25 1s1h n ASN 142 Cb 0.51 -0.49 -0.14 0.00 -2.36 0.00 0.00 39.78 37.31 1s1h n ASN 142 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1s1h s ILE 143 N -4.67 2.94 0.42 1.53 2.07 -1.26 -4.26 121.20 117.97 1s1h s ILE 143 Ca 0.54 -1.24 0.17 0.00 -1.41 0.00 0.00 60.65 58.71 1s1h s ILE 143 Cb 0.43 -2.61 0.19 0.00 0.13 0.00 0.00 42.46 40.60 1s1h s ILE 143 CO 0.02 0.01 1.97 -0.65 -1.91 0.00 0.00 174.94 174.39 1s1h h PRO 144 N 8.00 0.00 0.00 3.50 0.11 -1.91 -1.36 132.00 140.34 1s1h h PRO 144 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1s1h h PRO 144 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s1h h PRO 144 CO 0.55 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.42 1s1h n SER 145 N -4.11 0.00 -4.66 -2.05 3.41 -1.26 -2.77 113.62 102.18 1s1h n SER 145 Ca -0.02 0.11 -0.46 0.00 -0.26 0.00 0.00 58.87 58.24 1s1h n SER 145 Cb 0.28 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 1s1h n SER 145 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1s1h n PHE 146 N -1.35 2.16 -3.29 7.33 7.35 -0.51 -4.71 117.46 124.44 1s1h n PHE 146 Ca 0.10 0.38 -0.40 0.00 -0.76 0.00 0.00 57.45 56.77 1s1h n PHE 146 Cb 0.21 -2.48 -0.08 0.00 0.35 0.00 0.00 39.48 37.48 1s1h n PHE 146 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1s1h s MET 147 N 0.21 4.01 -0.02 -4.13 -1.94 -1.26 0.27 119.30 116.44 1s1h s MET 147 Ca 0.74 0.18 -0.25 0.00 -1.71 0.00 0.00 55.69 54.65 1s1h s MET 147 Cb -0.68 -3.67 -0.04 0.00 2.01 0.00 0.00 34.83 32.45 1s1h s MET 147 CO 0.44 -0.36 0.75 0.08 -0.01 0.00 0.00 175.02 175.93 1s1h s VAL 148 N 2.24 4.92 0.48 -6.03 1.01 0.12 -4.93 120.40 118.20 1s1h s VAL 148 Ca 0.19 1.57 0.09 0.00 0.00 0.00 0.00 61.98 63.83 1s1h s VAL 148 Cb -0.16 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.17 1s1h s VAL 148 CO 0.10 0.29 0.63 -0.13 0.00 0.00 0.00 175.10 175.99 1s1h s ARG 149 N 0.50 2.62 0.62 2.72 0.52 -1.26 -4.86 118.95 119.80 1s1h s ARG 149 Ca 0.39 -1.41 -0.17 0.00 -0.52 0.00 0.00 55.73 54.02 1s1h s ARG 149 Cb -0.19 -2.68 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 1s1h s ARG 149 CO 0.21 -0.48 1.12 -0.51 0.02 0.00 0.00 175.30 175.66 1s1h s LEU 150 N -4.45 3.52 -0.83 2.53 1.02 -1.26 -3.48 118.68 115.72 1s1h s LEU 150 Ca 0.56 2.06 -0.01 0.00 0.02 0.00 0.00 54.13 56.76 1s1h s LEU 150 Cb -0.08 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.57 1s1h s LEU 150 CO 0.35 -1.48 0.20 -0.67 0.02 0.00 0.00 176.35 174.76 1s1h n ASP 151 N -2.02 -3.74 -4.54 2.29 2.03 0.53 -5.00 116.55 106.10 1s1h n ASP 151 Ca 0.11 -0.10 -0.28 0.00 0.52 0.00 0.00 54.79 55.04 1s1h n ASP 151 Cb 0.52 -2.76 -0.10 0.00 -0.72 0.00 0.00 41.12 38.05 1s1h n ASP 151 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1s1h s SER 152 N -2.73 4.13 -0.12 1.67 1.04 -1.23 -4.95 113.70 111.51 1s1h s SER 152 Ca 0.10 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 1s1h s SER 152 Cb -0.04 -0.66 -0.03 0.00 0.10 0.00 0.00 66.02 65.39 1s1h s SER 152 CO 0.12 0.13 -0.05 -1.83 0.98 0.00 0.00 173.24 172.59 1s1h s GLU 153 N -2.57 3.33 -0.57 4.02 -1.05 -1.26 -1.98 118.70 118.62 1s1h s GLU 153 Ca 0.22 -0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 54.50 1s1h s GLU 153 Cb -0.09 -2.79 0.15 0.00 -0.44 0.00 0.00 34.13 30.95 1s1h s GLU 153 CO 0.13 0.40 0.37 0.15 0.95 0.00 0.00 175.26 177.27 1s1h s LYS 154 N -0.08 2.38 0.35 -4.83 3.01 0.68 -2.32 119.74 118.93 1s1h s LYS 154 Ca 0.01 -2.41 -0.05 0.00 -1.01 0.00 0.00 55.97 52.51 1s1h s LYS 154 Cb -0.13 -3.65 -0.05 0.00 -1.01 0.00 0.00 37.83 32.99 1s1h s LYS 154 CO 0.03 -1.14 0.63 -1.58 0.51 0.00 0.00 175.35 173.79 1s1h s HIS 155 N 0.12 3.49 0.02 3.18 2.46 -1.07 -3.44 115.29 120.06 1s1h s HIS 155 Ca 0.15 0.70 -0.18 0.00 0.47 0.00 0.00 55.06 56.20 1s1h s HIS 155 Cb -0.21 -2.16 -0.06 0.00 -0.13 0.00 0.00 32.58 30.01 1s1h s HIS 155 CO -0.03 0.04 0.52 -1.50 -2.47 0.00 0.00 174.74 171.29 1s1h s ILE 156 N -2.29 4.89 0.47 0.89 -1.16 -0.98 -0.44 121.20 122.58 1s1h s ILE 156 Ca 0.45 1.08 -0.23 0.00 -0.51 0.00 0.00 60.65 61.45 1s1h s ILE 156 Cb -0.10 -3.84 -0.09 0.00 0.61 0.00 0.00 42.46 39.03 1s1h s ILE 156 CO 0.34 0.52 0.96 -0.67 -2.81 0.00 0.00 174.94 173.28 1s1h n ASP 157 N 2.09 0.98 0.04 4.50 2.03 -0.60 -4.83 116.55 120.75 1s1h n ASP 157 Ca -0.11 0.97 -0.11 0.00 0.52 0.00 0.00 54.79 56.06 1s1h n ASP 157 Cb 0.51 -1.34 -0.05 0.00 -0.72 0.00 0.00 41.12 39.51 1s1h n ASP 157 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1s1h h PHE 158 N 1.24 -0.18 -0.77 -0.67 -1.00 -1.94 -2.21 116.94 111.40 1s1h h PHE 158 Ca -0.45 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.35 1s1h h PHE 158 Cb 1.35 0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.95 1s1h h PHE 158 CO 0.41 -0.11 0.51 0.00 -1.61 0.00 0.00 178.31 177.51 1s1h h ALA 159 N 0.87 0.99 -2.40 2.45 0.00 -1.98 -3.40 119.26 115.79 1s1h h ALA 159 Ca 0.03 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 1s1h h ALA 159 Cb 0.16 -0.30 0.07 0.00 0.00 0.00 0.00 17.79 17.72 1s1h h ALA 159 CO -0.08 0.37 0.38 -1.25 0.00 0.00 0.00 179.25 178.67 1s1h s PRO 160 N -6.13 3.20 0.00 0.00 0.04 -0.83 -5.05 135.00 126.23 1s1h s PRO 160 Ca -0.13 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1s1h s PRO 160 Cb 0.15 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1s1h s PRO 160 CO 0.78 -0.77 0.00 -2.37 0.04 0.00 0.00 177.00 174.68 1s1h n THR 161 N -2.82 0.00 0.00 1.26 5.66 -1.26 -4.60 114.28 112.52 1s1h n THR 161 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1s1h n THR 161 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1s1h n THR 161 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1s1h n SER 162 N 0.00 0.00 0.00 1.09 7.64 -1.26 -4.97 113.62 116.12 1s1h n SER 162 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1s1h n SER 162 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1s1h n SER 162 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1s1h n PRO 163 N -0.41 0.00 -0.25 1.43 -0.02 -1.26 -2.27 135.00 132.21 1s1h n PRO 163 Ca 0.00 0.14 0.03 0.00 -2.02 0.00 0.00 63.50 61.66 1s1h n PRO 163 Cb 0.00 -1.51 0.26 0.00 -0.02 0.00 0.00 33.50 32.23 1s1h n PRO 163 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1s1h h PHE 164 N 0.00 0.96 -4.09 6.00 0.04 -1.85 -3.29 116.94 114.70 1s1h h PHE 164 Ca 0.00 0.02 -0.51 0.00 2.80 0.00 0.00 57.97 60.29 1s1h h PHE 164 Cb 0.03 -0.32 0.08 0.00 2.20 0.00 0.00 35.95 37.94 1s1h h PHE 164 CO 0.00 0.53 0.44 0.20 -0.60 0.00 0.00 178.31 178.89 1s1h s GLY 165 N -3.42 2.66 0.00 -1.45 0.00 -0.96 -1.52 107.32 102.62 1s1h s GLY 165 Ca -0.11 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1s1h s GLY 165 CO 0.79 1.24 0.00 0.61 0.00 0.00 0.00 173.10 175.74 1s1h n GLY 166 N 0.25 2.47 0.25 0.20 0.00 -1.26 -4.60 105.19 102.49 1s1h n GLY 166 Ca 0.12 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1s1h n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1h h ALA 167 N 0.00 1.07 -0.26 4.61 0.00 -1.34 -3.32 119.26 120.02 1s1h h ALA 167 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1s1h h ALA 167 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1s1h h ALA 167 CO 0.00 0.17 -0.13 -0.09 0.00 0.00 0.00 179.25 179.20 1s1h h ARG 168 N 0.00 -0.10 -0.03 0.00 2.43 -1.79 -1.33 114.38 113.55 1s1h h ARG 168 Ca -0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1s1h h ARG 168 Cb 0.57 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1s1h h ARG 168 CO 0.02 -0.07 -0.47 -1.00 -1.51 0.00 0.00 179.97 176.94 1s1h h PRO 169 N -0.11 0.08 -6.89 0.20 0.13 -1.93 -3.45 132.00 120.03 1s1h h PRO 169 Ca 0.14 -0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.70 1s1h h PRO 169 Cb 0.31 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.52 1s1h h PRO 169 CO -0.32 0.53 0.67 0.20 -0.23 0.00 0.00 178.00 178.84 1s1h s GLY 170 N -4.33 2.96 0.60 1.56 0.00 -0.50 -5.00 107.32 102.61 1s1h s GLY 170 Ca -0.03 1.32 -0.04 0.00 0.00 0.00 0.00 44.72 45.97 1s1h s GLY 170 CO 0.75 1.99 0.89 -1.60 0.00 0.00 0.00 173.10 175.13 1s1h s ARG 171 N -1.79 2.64 0.13 2.90 3.52 -1.26 -5.00 118.95 120.08 1s1h s ARG 171 Ca 0.50 -0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.87 1s1h s ARG 171 Cb -0.41 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 1s1h s ARG 171 CO 0.54 -0.83 -0.11 0.08 -0.81 0.00 0.00 175.30 174.18 1s1h s VAL 172 N -2.98 1.13 0.58 7.11 1.01 -1.26 -5.10 120.40 120.89 1s1h s VAL 172 Ca 0.56 -1.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 1s1h s VAL 172 Cb -0.10 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 1s1h s VAL 172 CO 0.43 -0.63 0.90 0.00 0.00 0.00 0.00 175.10 175.80 1s1h n ALA 173 N 0.15 -0.01 0.22 5.51 0.00 -1.26 -4.84 120.51 120.28 1s1h n ALA 173 Ca -0.13 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1s1h n ALA 173 Cb 0.59 -2.07 0.49 0.00 0.00 0.00 0.00 19.45 18.47 1s1h n ALA 173 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1s1h h ARG 174 N 0.53 0.00 0.00 0.00 9.65 -1.99 -1.39 114.38 121.18 1s1h h ARG 174 Ca -0.48 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.33 1s1h h ARG 174 Cb 1.37 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.94 1s1h h ARG 174 CO 0.51 0.21 -0.33 0.00 2.80 0.00 0.00 179.97 183.15 1s1h h ARG 175 N 0.00 0.00 0.00 0.20 -0.00 -1.88 -3.45 114.38 109.25 1s1h h ARG 175 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 58.91 1s1h h ARG 175 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 30.25 1s1h h ARG 175 CO 0.03 0.33 -0.37 0.27 0.00 0.00 0.00 179.97 180.23 1s1h n ASN 176 N -3.68 3.03 -3.52 7.04 6.94 -0.52 0.39 115.26 124.93 1s1h n ASN 176 Ca -0.01 -2.88 -0.11 0.00 -0.02 0.00 0.00 54.58 51.56 1s1h n ASN 176 Cb 0.44 0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 38.03 1s1h n ASN 176 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s1h s ALA 177 N -2.75 -1.84 -0.06 -2.53 0.00 -0.93 -4.60 121.76 109.06 1s1h s ALA 177 Ca 0.09 1.22 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 1s1h s ALA 177 Cb -0.01 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1s1h s ALA 177 CO 0.05 -0.52 0.34 0.00 0.00 0.00 0.00 175.76 175.64 1s1h s ALA 178 N -2.19 -0.86 -0.24 0.00 0.00 -1.26 -0.07 121.76 117.14 1s1h s ALA 178 Ca -0.00 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 1s1h s ALA 178 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1s1h s ALA 178 CO -0.03 -0.24 0.01 -0.98 0.00 0.00 0.00 175.76 174.53 1s1h s ARG 179 N -0.82 3.48 0.41 0.00 1.70 0.65 -4.94 118.95 119.41 1s1h s ARG 179 Ca -0.09 -0.58 0.09 0.00 -0.47 0.00 0.00 55.73 54.68 1s1h s ARG 179 Cb -0.04 -3.16 0.86 0.00 -0.57 0.00 0.00 34.95 32.03 1s1h s ARG 179 CO 0.03 -0.21 2.00 0.87 -1.08 0.00 0.00 175.30 176.92 1s1h h LYS 180 N 8.17 0.38 0.31 3.89 6.56 -1.96 -0.84 116.57 133.07 1s1h h LYS 180 Ca -0.40 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.13 1s1h h LYS 180 Cb 1.16 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 1s1h h LYS 180 CO 0.59 0.34 -0.15 0.00 -2.06 0.00 0.00 179.45 178.18 1s1h h ALA 181 N 1.72 -0.41 0.00 3.86 0.00 -1.93 -2.58 119.26 119.91 1s1h h ALA 181 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s1h h ALA 181 Cb 0.13 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1s1h h ALA 181 CO -0.01 -0.65 0.00 0.93 0.00 0.00 0.00 179.25 179.52 1s1h h GLU 182 N -0.58 0.00 -4.70 0.00 4.39 -1.98 -3.46 114.58 108.26 1s1h h GLU 182 Ca -0.04 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.35 1s1h h GLU 182 Cb 0.42 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.18 1s1h h GLU 182 CO 0.07 0.00 -0.52 0.00 -1.16 0.00 0.00 179.01 177.40 1s1h n ALA 183 N -2.09 -1.00 -2.55 3.43 0.00 -0.38 -4.73 120.51 113.19 1s1h n ALA 183 Ca 0.02 0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.51 1s1h n ALA 183 Cb 0.38 -4.35 -0.10 0.00 0.00 0.00 0.00 19.45 15.39 1s1h n ALA 183 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1s1h s SER 184 N -3.24 3.98 0.15 0.00 1.04 -0.84 -2.31 113.70 112.48 1s1h s SER 184 Ca 0.45 -1.16 -0.24 0.00 0.48 0.00 0.00 55.95 55.48 1s1h s SER 184 Cb -0.20 -0.43 0.07 0.00 0.10 0.00 0.00 66.02 65.56 1s1h s SER 184 CO 0.55 -0.31 0.67 -0.83 0.98 0.00 0.00 173.24 174.31 1s1h s GLY 185 N -3.70 -0.52 0.05 7.32 0.00 -1.22 -0.25 107.32 109.00 1s1h s GLY 185 Ca 0.35 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.57 1s1h s GLY 185 CO 0.18 0.15 -0.11 -0.54 0.00 0.00 0.00 173.10 172.79 1s1h s GLU 186 N -3.65 0.65 -0.60 2.90 8.01 0.90 -0.23 118.70 126.67 1s1h s GLU 186 Ca 0.03 -0.84 -0.20 0.00 0.01 0.00 0.00 54.97 53.98 1s1h s GLU 186 Cb -0.02 -0.52 0.09 0.00 -4.31 0.00 0.00 34.13 29.38 1s1h s GLU 186 CO -0.09 0.11 0.75 0.00 0.01 0.00 0.00 175.26 176.03 1s1h s ALA 187 N -1.33 3.36 0.04 5.21 0.00 -0.84 -2.18 121.76 126.02 1s1h s ALA 187 Ca -0.07 -2.12 -0.21 0.00 0.00 0.00 0.00 51.96 49.56 1s1h s ALA 187 Cb -0.10 -3.58 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 1s1h s ALA 187 CO 0.01 -2.41 1.42 0.00 0.00 0.00 0.00 175.76 174.78 1s1h h ALA 188 N 9.25 0.19 -2.04 0.00 0.00 -0.39 0.15 119.26 126.42 1s1h h ALA 188 Ca -0.29 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 54.56 1s1h h ALA 188 Cb 1.08 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 1s1h h ALA 188 CO 1.11 -0.04 0.60 0.16 0.00 0.00 0.00 179.25 181.07 1s1h s ASP 189 N -5.88 -0.22 -0.17 0.00 -4.77 -0.97 -4.29 116.67 100.36 1s1h s ASP 189 Ca -0.14 -0.15 -0.29 0.00 -3.30 0.00 0.00 52.55 48.67 1s1h s ASP 189 Cb 0.05 0.34 -0.05 0.00 -1.09 0.00 0.00 42.92 42.17 1s1h s ASP 189 CO 0.72 -0.59 1.97 -1.83 0.70 0.00 0.00 175.17 176.14 1s1h s GLU 190 N -2.95 3.54 0.13 2.11 1.03 -1.23 -4.59 118.70 116.73 1s1h s GLU 190 Ca 0.09 2.01 -0.28 0.00 0.03 0.00 0.00 54.97 56.82 1s1h s GLU 190 Cb -0.00 -4.23 -0.07 0.00 -0.80 0.00 0.00 34.13 29.03 1s1h s GLU 190 CO -0.04 -1.63 0.88 0.00 -1.33 0.00 0.00 175.26 173.14 1s1h s ALA 191 N 6.56 3.33 0.80 -0.84 0.00 -1.17 -4.05 121.76 126.37 1s1h s ALA 191 Ca 0.89 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 1s1h s ALA 191 Cb -0.32 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1s1h s ALA 191 CO 0.35 0.09 1.13 0.34 0.00 0.00 0.00 175.76 177.68 1s1h s ASP 192 N -0.44 4.59 0.33 0.00 2.15 -1.26 0.34 116.67 122.38 1s1h s ASP 192 Ca 0.42 1.02 0.04 0.00 0.43 0.00 0.00 52.55 54.46 1s1h s ASP 192 Cb -0.23 -1.67 0.57 0.00 -0.30 0.00 0.00 42.92 41.29 1s1h s ASP 192 CO 0.28 -1.87 1.86 1.05 -0.17 0.00 0.00 175.17 176.32 1s1h h GLU 193 N -1.03 0.56 -0.84 4.34 4.11 -1.97 0.11 114.58 119.86 1s1h h GLU 193 Ca -0.47 -0.12 0.03 0.00 0.07 0.00 0.00 59.36 58.87 1s1h h GLU 193 Cb 1.30 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1s1h h GLU 193 CO 0.63 0.58 0.55 0.00 0.07 0.00 0.00 179.01 180.85 1s1h h ALA 194 N 1.47 1.48 -0.82 1.06 0.00 -2.00 0.66 119.26 121.12 1s1h h ALA 194 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1s1h h ALA 194 Cb 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1s1h h ALA 194 CO 0.01 0.44 0.40 -0.44 0.00 0.00 0.00 179.25 179.66 1s1h h ASP 195 N 1.05 1.06 0.00 0.00 3.32 -1.17 -3.54 116.42 117.14 1s1h h ASP 195 Ca 0.33 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1s1h h ASP 195 Cb 0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1s1h h ASP 195 CO -0.10 0.88 0.00 1.21 -1.72 0.00 0.00 179.24 179.52