#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1roa s GLY 13 N 0.00 1.66 -0.25 -0.02 0.00 -1.26 -4.80 107.32 102.65 1roa s GLY 13 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.62 1roa s GLY 13 CO 0.00 0.27 0.11 -0.42 0.00 0.00 0.00 173.10 173.06 1roa s ILE 14 N -3.12 4.71 0.02 0.90 1.01 -1.26 -4.20 121.20 119.27 1roa s ILE 14 Ca 0.57 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 61.24 1roa s ILE 14 Cb -0.12 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1roa s ILE 14 CO 0.54 0.32 -0.16 -1.00 0.00 0.00 0.00 174.94 174.64 1roa s HIS 15 N 1.51 2.61 0.52 3.97 3.76 0.20 -4.90 115.29 122.96 1roa s HIS 15 Ca 0.06 -0.22 -0.21 0.00 -0.15 0.00 0.00 55.06 54.54 1roa s HIS 15 Cb -0.15 -1.51 -0.06 0.00 1.11 0.00 0.00 32.58 31.97 1roa s HIS 15 CO 0.06 0.25 1.17 0.00 -0.85 0.00 0.00 174.74 175.37 1roa s ALA 16 N -0.89 2.80 0.27 -1.40 0.00 -1.26 -0.50 121.76 120.77 1roa s ALA 16 Ca 0.14 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 1roa s ALA 16 Cb -0.11 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1roa s ALA 16 CO 0.05 -0.82 0.49 -0.08 0.00 0.00 0.00 175.76 175.40 1roa s THR 17 N -1.61 0.00 0.48 0.00 -1.32 -0.43 -4.83 115.64 107.93 1roa s THR 17 Ca 0.70 -1.41 0.06 0.00 -1.21 0.00 0.00 61.69 59.82 1roa s THR 17 Cb -0.28 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1roa s THR 17 CO 0.33 0.00 0.33 -1.81 -2.21 0.00 0.00 174.62 171.25 1roa s ASP 18 N -3.05 4.66 0.00 8.08 1.01 -1.26 -4.09 116.67 122.02 1roa s ASP 18 Ca 0.23 -1.10 0.29 0.00 0.71 0.00 0.00 52.55 52.68 1roa s ASP 18 Cb -0.01 -0.03 1.32 0.00 1.01 0.00 0.00 42.92 45.21 1roa s ASP 18 CO 0.11 -0.85 1.90 0.18 0.21 0.00 0.00 175.17 176.71 1roa n LEU 19 N -1.56 0.80 -0.41 1.23 4.77 -1.26 -3.74 117.00 116.83 1roa n LEU 19 Ca -0.01 -0.23 0.01 0.00 -0.03 0.00 0.00 56.01 55.75 1roa n LEU 19 Cb 0.64 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1roa n LEU 19 CO 0.41 0.14 0.38 0.59 -1.33 0.00 0.00 177.39 177.58 1roa n ASN 20 N -0.47 0.94 -4.37 -1.43 3.02 -1.26 -4.39 115.26 107.30 1roa n ASN 20 Ca 0.19 -2.04 -0.36 0.00 -0.03 0.00 0.00 54.58 52.34 1roa n ASN 20 Cb 0.27 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.97 1roa n ASN 20 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1roa s ASP 21 N -0.41 4.67 0.26 6.41 -1.08 -1.25 -5.01 116.67 120.27 1roa s ASP 21 Ca 0.04 -0.30 -0.11 0.00 -0.52 0.00 0.00 52.55 51.65 1roa s ASP 21 Cb 0.03 -1.82 0.37 0.00 -1.46 0.00 0.00 42.92 40.04 1roa s ASP 21 CO 0.02 -0.02 1.57 0.50 0.52 0.00 0.00 175.17 177.76 1roa h LYS 22 N 8.12 -0.01 -0.42 4.34 3.64 -1.94 0.20 116.57 130.50 1roa h LYS 22 Ca -0.40 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1roa h LYS 22 Cb 1.17 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1roa h LYS 22 CO 0.59 -0.01 0.04 0.77 -2.27 0.00 0.00 179.45 178.58 1roa h SER 23 N -0.01 0.69 -0.81 4.20 0.02 -1.95 -1.97 113.55 113.72 1roa h SER 23 Ca 0.42 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1roa h SER 23 Cb 0.66 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1roa h SER 23 CO -0.94 0.79 0.42 0.58 -1.14 0.00 0.00 176.83 176.54 1roa h VAL 24 N 0.55 1.25 -0.35 2.27 2.07 -1.35 -1.70 116.25 119.00 1roa h VAL 24 Ca 0.12 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1roa h VAL 24 Cb 0.42 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1roa h VAL 24 CO 0.01 0.29 0.14 1.56 0.02 0.00 0.00 177.57 179.59 1roa h GLN 25 N 1.15 0.53 -0.82 1.57 4.20 -0.48 -1.59 115.11 119.68 1roa h GLN 25 Ca 0.28 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1roa h GLN 25 Cb 0.07 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1roa h GLN 25 CO -0.04 0.51 0.54 -0.09 -0.67 0.00 0.00 178.83 179.08 1roa h ARG 26 N 0.42 1.06 -0.65 1.46 2.43 -1.05 0.11 114.38 118.17 1roa h ARG 26 Ca 0.12 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1roa h ARG 26 Cb 0.18 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1roa h ARG 26 CO -0.01 0.70 0.12 0.00 -1.51 0.00 0.00 179.97 179.27 1roa h ALA 27 N 1.30 0.86 -0.35 2.80 0.00 -1.12 -2.00 119.26 120.76 1roa h ALA 27 Ca 0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1roa h ALA 27 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1roa h ALA 27 CO -0.07 0.61 0.09 1.25 0.00 0.00 0.00 179.25 181.13 1roa h LEU 28 N 0.98 0.52 -1.32 0.00 5.85 -0.66 -2.08 115.31 118.61 1roa h LEU 28 Ca 0.20 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.78 1roa h LEU 28 Cb 0.42 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1roa h LEU 28 CO 0.01 0.61 0.52 0.44 -0.34 0.00 0.00 178.44 179.68 1roa h ASP 29 N 0.41 0.69 -0.56 1.25 3.32 -0.56 -0.05 116.42 120.92 1roa h ASP 29 Ca 0.11 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1roa h ASP 29 Cb 0.29 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1roa h ASP 29 CO -0.00 0.42 -0.03 0.15 -1.72 0.00 0.00 179.24 178.06 1roa h PHE 30 N 0.77 1.11 -0.36 4.55 3.57 -0.97 -0.85 116.94 124.75 1roa h PHE 30 Ca 0.36 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1roa h PHE 30 Cb 0.39 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1roa h PHE 30 CO -0.00 1.01 0.08 0.00 -2.23 0.00 0.00 178.31 177.17 1roa h ALA 31 N 0.95 0.48 -0.56 2.41 0.00 -0.46 -1.09 119.26 121.00 1roa h ALA 31 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1roa h ALA 31 Cb 0.59 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1roa h ALA 31 CO 0.04 0.16 0.30 0.82 0.00 0.00 0.00 179.25 180.57 1roa h ILE 32 N 0.44 1.19 -0.40 0.00 2.04 -0.94 0.71 117.51 120.56 1roa h ILE 32 Ca 0.11 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1roa h ILE 32 Cb 0.31 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1roa h ILE 32 CO 0.00 0.21 0.22 0.28 0.00 0.00 0.00 178.15 178.86 1roa h SER 33 N 0.76 0.49 -0.31 1.72 0.02 -0.99 -1.43 113.55 113.81 1roa h SER 33 Ca 0.20 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1roa h SER 33 Cb 0.06 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1roa h SER 33 CO -0.03 0.44 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.63 1roa h GLU 34 N 0.51 0.74 -0.18 3.45 4.39 -0.97 0.04 114.58 122.57 1roa h GLU 34 Ca 0.14 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1roa h GLU 34 Cb 0.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1roa h GLU 34 CO -0.02 0.84 0.11 -0.92 -1.16 0.00 0.00 179.01 177.86 1roa h TYR 35 N 0.67 0.23 -0.20 4.33 3.20 -0.52 0.22 116.97 124.90 1roa h TYR 35 Ca 0.11 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.83 1roa h TYR 35 Cb 0.60 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1roa h TYR 35 CO 0.03 0.18 -0.49 -0.91 -1.64 0.00 0.00 178.16 175.33 1roa h ASN 36 N 0.22 0.60 0.14 -2.11 2.35 -1.10 0.44 115.58 116.11 1roa h ASN 36 Ca 0.06 -0.30 -0.21 0.00 -0.55 0.00 0.00 56.30 55.30 1roa h ASN 36 Cb 0.01 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 38.23 1roa h ASN 36 CO -0.01 0.99 -0.97 0.50 -1.65 0.00 0.00 177.43 176.29 1roa h LYS 37 N 0.43 0.29 0.00 0.81 3.64 -0.81 -3.41 116.57 117.52 1roa h LYS 37 Ca 0.02 -0.50 -0.22 0.00 -1.27 0.00 0.00 60.65 58.68 1roa h LYS 37 Cb 1.02 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1roa h LYS 37 CO 0.09 1.24 -1.84 0.28 -2.27 0.00 0.00 179.45 176.95 1roa n VAL 38 N -4.07 0.85 -0.06 2.00 0.31 0.75 -4.86 118.33 113.24 1roa n VAL 38 Ca -0.17 -0.31 -0.06 0.00 -0.01 0.00 0.00 64.34 63.79 1roa n VAL 38 Cb 0.85 -1.08 -0.05 0.00 -0.91 0.00 0.00 33.84 32.64 1roa n VAL 38 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1roa h ILE 39 N -0.05 0.73 -3.70 2.52 2.04 -1.23 -3.46 117.51 114.36 1roa h ILE 39 Ca -0.33 -1.56 -0.50 0.00 1.00 0.00 0.00 64.86 63.47 1roa h ILE 39 Cb 1.50 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 1roa h ILE 39 CO -0.07 0.25 0.31 0.21 0.00 0.00 0.00 178.15 178.85 1roa s ASN 40 N -5.85 7.58 0.00 1.72 2.47 0.15 -4.97 114.94 116.04 1roa s ASN 40 Ca -0.09 1.88 0.11 0.00 0.42 0.00 0.00 52.86 55.18 1roa s ASN 40 Cb -0.01 -2.58 0.26 0.00 -1.45 0.00 0.00 41.25 37.47 1roa s ASN 40 CO 0.29 0.16 1.18 0.29 -3.72 0.00 0.00 177.10 175.30 1roa n LYS 41 N 1.48 2.45 -1.36 0.43 4.76 -1.26 -4.66 118.16 119.99 1roa n LYS 41 Ca -0.03 -1.88 -0.32 0.00 -2.87 0.00 0.00 58.31 53.22 1roa n LYS 41 Cb 0.47 -1.25 0.09 0.00 -1.84 0.00 0.00 35.03 32.50 1roa n LYS 41 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1roa s ASP 42 N -0.98 4.51 0.18 4.39 2.15 -1.26 -4.94 116.67 120.72 1roa s ASP 42 Ca 0.21 1.93 0.04 0.00 0.43 0.00 0.00 52.55 55.17 1roa s ASP 42 Cb 0.11 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.25 1roa s ASP 42 CO 0.15 -2.03 1.42 -0.08 -0.17 0.00 0.00 175.17 174.46 1roa h GLU 43 N -0.83 0.14 -6.44 4.34 4.81 -1.97 -3.45 114.58 111.18 1roa h GLU 43 Ca -0.45 -0.15 -0.54 0.00 -0.13 0.00 0.00 59.36 58.10 1roa h GLU 43 Cb 1.24 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1roa h GLU 43 CO 0.51 0.88 -0.09 0.71 -0.73 0.00 0.00 179.01 180.30 1roa s TYR 44 N -3.27 3.46 0.18 0.92 1.51 -1.26 -1.62 117.35 117.27 1roa s TYR 44 Ca -0.02 0.95 -0.30 0.00 -1.01 0.00 0.00 57.07 56.68 1roa s TYR 44 Cb 0.11 -2.31 -0.08 0.00 -0.11 0.00 0.00 41.96 39.57 1roa s TYR 44 CO 0.81 0.29 1.17 -0.47 -1.11 0.00 0.00 175.55 176.24 1roa s TYR 45 N -1.75 3.48 -0.02 2.71 5.04 0.46 -4.68 117.35 122.58 1roa s TYR 45 Ca 0.46 1.47 0.03 0.00 -2.44 0.00 0.00 57.07 56.59 1roa s TYR 45 Cb -0.12 -3.38 -0.03 0.00 0.35 0.00 0.00 41.96 38.78 1roa s TYR 45 CO 0.20 -1.02 -0.10 -1.12 -1.34 0.00 0.00 175.55 172.17 1roa s SER 46 N 0.11 4.42 0.16 4.32 0.01 -1.26 -0.60 113.70 120.85 1roa s SER 46 Ca 0.52 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.63 1roa s SER 46 Cb -0.31 -1.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 1roa s SER 46 CO 0.36 0.31 0.00 0.00 0.41 0.00 0.00 173.24 174.32 1roa s ARG 47 N -1.15 1.04 0.30 12.44 1.70 -0.88 -4.89 118.95 127.51 1roa s ARG 47 Ca 0.15 -1.49 -0.29 0.00 -0.47 0.00 0.00 55.73 53.62 1roa s ARG 47 Cb -0.11 -0.17 -0.11 0.00 -0.57 0.00 0.00 34.95 34.00 1roa s ARG 47 CO 0.05 -0.14 1.51 -2.14 -1.08 0.00 0.00 175.30 173.49 1roa s PRO 48 N -3.93 4.18 -0.20 3.89 0.02 -1.26 -1.64 135.00 136.05 1roa s PRO 48 Ca 0.23 2.47 0.12 0.00 0.02 0.00 0.00 61.00 63.84 1roa s PRO 48 Cb 0.06 -3.04 -0.21 0.00 0.02 0.00 0.00 34.50 31.33 1roa s PRO 48 CO 0.03 -0.52 -0.03 1.28 -0.33 0.00 0.00 177.00 177.43 1roa n LEU 49 N 1.77 0.97 -3.82 -5.54 4.77 0.15 -4.87 117.00 110.44 1roa n LEU 49 Ca 0.06 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1roa n LEU 49 Cb 0.39 0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1roa n LEU 49 CO 0.62 0.61 -0.07 -1.10 -1.33 0.00 0.00 177.39 176.12 1roa s GLN 50 N -2.46 0.61 -0.16 3.23 -0.21 -1.14 -4.99 119.66 114.52 1roa s GLN 50 Ca -0.17 -0.35 -0.10 0.00 0.02 0.00 0.00 55.36 54.76 1roa s GLN 50 Cb 0.06 0.26 0.06 0.00 1.00 0.00 0.00 33.01 34.39 1roa s GLN 50 CO 0.70 -0.16 0.40 0.08 -2.12 0.00 0.00 175.29 174.19 1roa s VAL 51 N -1.60 -0.02 -0.10 1.09 1.01 -1.26 -1.80 120.40 117.72 1roa s VAL 51 Ca -0.12 0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1roa s VAL 51 Cb -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1roa s VAL 51 CO 0.02 0.03 -0.24 -0.04 0.00 0.00 0.00 175.10 174.87 1roa s MET 52 N 1.22 3.04 0.10 2.72 -1.94 -0.37 -4.98 119.30 119.09 1roa s MET 52 Ca -0.08 -0.88 0.07 0.00 -1.71 0.00 0.00 55.69 53.09 1roa s MET 52 Cb -0.08 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.43 1roa s MET 52 CO -0.11 0.17 -0.17 0.00 -0.01 0.00 0.00 175.02 174.91 1roa s ALA 53 N 0.36 1.50 0.06 3.03 0.00 -1.26 -1.31 121.76 124.15 1roa s ALA 53 Ca -0.18 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 1roa s ALA 53 Cb -0.18 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1roa s ALA 53 CO 0.08 0.23 0.25 0.00 0.00 0.00 0.00 175.76 176.32 1roa s ALA 54 N -1.44 -0.47 0.09 0.00 0.00 -0.44 -1.31 121.76 118.20 1roa s ALA 54 Ca 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1roa s ALA 54 Cb -0.09 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1roa s ALA 54 CO 0.03 -0.45 -0.04 1.52 0.00 0.00 0.00 175.76 176.82 1roa s TYR 55 N -3.08 0.82 -0.12 0.00 -0.85 0.34 -0.48 117.35 113.98 1roa s TYR 55 Ca -0.01 -0.98 -0.05 0.00 -0.52 0.00 0.00 57.07 55.51 1roa s TYR 55 Cb 0.01 -0.50 0.06 0.00 0.38 0.00 0.00 41.96 41.91 1roa s TYR 55 CO -0.07 -0.23 0.27 -1.14 -1.52 0.00 0.00 175.55 172.86 1roa s GLN 56 N -3.87 0.20 -0.14 -3.49 0.74 0.18 -0.63 119.66 112.65 1roa s GLN 56 Ca 0.12 0.67 -0.20 0.00 0.05 0.00 0.00 55.36 56.01 1roa s GLN 56 Cb 0.06 -0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.08 1roa s GLN 56 CO -0.05 -0.22 0.56 -0.65 -0.55 0.00 0.00 175.29 174.37 1roa s GLN 57 N 1.86 4.31 0.35 1.67 -0.21 -1.26 -0.46 119.66 125.92 1roa s GLN 57 Ca -0.04 0.56 0.04 0.00 0.02 0.00 0.00 55.36 55.94 1roa s GLN 57 Cb -0.11 -3.49 -0.05 0.00 1.00 0.00 0.00 33.01 30.36 1roa s GLN 57 CO -0.09 0.01 0.07 0.96 -2.12 0.00 0.00 175.29 174.12 1roa s ILE 58 N 1.08 1.08 -0.02 1.08 -4.36 -0.52 -3.81 121.20 115.73 1roa s ILE 58 Ca 0.28 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.38 1roa s ILE 58 Cb -0.16 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 40.80 1roa s ILE 58 CO 0.12 0.00 1.64 -0.69 0.24 0.00 0.00 174.94 176.25 1roa s VAL 59 N -3.26 3.47 0.00 8.37 1.01 -1.26 -2.20 120.40 126.52 1roa s VAL 59 Ca 0.33 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1roa s VAL 59 Cb 0.07 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1roa s VAL 59 CO 0.15 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1roa n GLY 60 N 4.07 0.75 0.00 4.51 0.00 -1.26 -4.97 105.19 108.28 1roa n GLY 60 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1roa n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1roa n GLY 61 N -2.30 -0.51 3.00 -0.02 0.00 -0.94 -4.62 105.19 99.81 1roa n GLY 61 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1roa n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1roa s VAL 62 N -3.07 0.03 -0.01 1.61 0.11 0.05 -1.44 120.40 117.68 1roa s VAL 62 Ca 0.00 -0.23 0.03 0.00 -2.93 0.00 0.00 61.98 58.84 1roa s VAL 62 Cb 0.00 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1roa s VAL 62 CO 0.00 -0.13 -0.07 0.20 -3.33 0.00 0.00 175.10 171.77 1roa s ASN 63 N -0.39 4.62 -0.03 3.54 0.01 0.39 -0.79 114.94 122.30 1roa s ASN 63 Ca -0.05 -0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.05 1roa s ASN 63 Cb -0.03 -1.09 -0.02 0.00 0.41 0.00 0.00 41.25 40.52 1roa s ASN 63 CO 0.00 0.30 -0.23 -0.31 -1.51 0.00 0.00 177.10 175.35 1roa s TYR 64 N -0.96 2.41 -0.13 2.20 1.51 0.20 -0.65 117.35 121.94 1roa s TYR 64 Ca 0.16 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1roa s TYR 64 Cb -0.11 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1roa s TYR 64 CO 0.06 0.01 -0.19 0.71 -1.11 0.00 0.00 175.55 175.03 1roa s TYR 65 N -0.63 2.40 -0.01 2.71 1.51 0.37 -0.34 117.35 123.36 1roa s TYR 65 Ca 0.10 -1.22 0.06 0.00 -1.01 0.00 0.00 57.07 55.00 1roa s TYR 65 Cb -0.10 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1roa s TYR 65 CO -0.01 -0.59 -0.19 -0.06 -1.11 0.00 0.00 175.55 173.59 1roa s PHE 66 N 0.98 1.70 -0.30 2.71 0.40 -0.18 -1.32 117.98 121.97 1roa s PHE 66 Ca -0.05 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1roa s PHE 66 Cb -0.15 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.33 1roa s PHE 66 CO -0.04 -0.02 0.02 -0.80 0.70 0.00 0.00 175.22 175.08 1roa s ASN 67 N -0.48 4.92 -0.07 1.36 0.01 -0.43 0.21 114.94 120.46 1roa s ASN 67 Ca 0.07 -1.13 0.04 0.00 -0.71 0.00 0.00 52.86 51.13 1roa s ASN 67 Cb -0.07 -1.75 -0.00 0.00 0.41 0.00 0.00 41.25 39.83 1roa s ASN 67 CO -0.01 -0.25 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.44 1roa s VAL 68 N 1.32 1.75 -0.27 1.60 1.01 0.20 -1.23 120.40 124.77 1roa s VAL 68 Ca -0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1roa s VAL 68 Cb -0.19 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1roa s VAL 68 CO -0.00 0.49 0.09 -0.75 0.00 0.00 0.00 175.10 174.93 1roa s LYS 69 N 0.20 3.55 0.08 2.72 2.20 -0.75 0.11 119.74 127.85 1roa s LYS 69 Ca -0.11 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 1roa s LYS 69 Cb -0.15 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1roa s LYS 69 CO 0.05 -0.25 0.26 -0.06 -0.36 0.00 0.00 175.35 174.99 1roa s PHE 70 N 1.61 3.51 0.01 4.03 0.40 0.11 0.35 117.98 128.00 1roa s PHE 70 Ca 0.06 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 1roa s PHE 70 Cb -0.16 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 1roa s PHE 70 CO 0.04 0.54 -0.10 0.20 0.70 0.00 0.00 175.22 176.61 1roa s GLY 71 N -2.47 0.52 0.22 4.36 0.00 -0.65 -1.65 107.32 107.65 1roa s GLY 71 Ca 0.37 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 1roa s GLY 71 CO 0.27 -0.51 1.07 -1.60 0.00 0.00 0.00 173.10 172.33 1roa s ARG 72 N -0.68 4.65 0.57 2.90 3.52 -0.63 -2.07 118.95 127.22 1roa s ARG 72 Ca 0.00 1.71 0.09 0.00 -0.13 0.00 0.00 55.73 57.40 1roa s ARG 72 Cb -0.06 -3.25 0.08 0.00 -1.56 0.00 0.00 34.95 30.16 1roa s ARG 72 CO 0.00 0.19 0.71 0.95 -0.81 0.00 0.00 175.30 176.35 1roa s THR 73 N -0.70 2.00 -2.26 4.11 -4.23 0.23 -0.44 115.64 114.34 1roa s THR 73 Ca 0.46 -1.11 0.20 0.00 -1.18 0.00 0.00 61.69 60.06 1roa s THR 73 Cb -0.30 -2.12 0.44 0.00 1.34 0.00 0.00 72.50 71.87 1roa s THR 73 CO 0.37 0.00 1.45 0.35 -0.54 0.00 0.00 174.62 176.24 1roa n THR 74 N -2.15 0.43 -3.79 3.99 -2.24 -0.37 -4.51 114.28 105.65 1roa n THR 74 Ca 0.12 -0.56 -0.35 0.00 -2.27 0.00 0.00 64.05 60.98 1roa n THR 74 Cb 0.62 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 1roa n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1roa s THR 76 N -1.21 4.66 -0.17 0.00 -4.23 -1.26 -0.41 115.64 113.03 1roa s THR 76 Ca 0.24 0.93 0.27 0.00 -1.18 0.00 0.00 61.69 61.94 1roa s THR 76 Cb -0.13 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.26 1roa s THR 76 CO 0.13 -0.62 1.80 0.11 -0.54 0.00 0.00 174.62 175.50 1roa h LYS 77 N 1.05 0.00 -0.22 3.99 1.57 -1.58 -2.76 116.57 118.63 1roa h LYS 77 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1roa h LYS 77 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1roa h LYS 77 CO 0.63 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.38 1roa n SER 78 N -2.45 2.35 -4.75 0.86 3.41 -1.26 -4.91 113.62 106.87 1roa n SER 78 Ca -0.00 -1.81 -0.36 0.00 -0.26 0.00 0.00 58.87 56.44 1roa n SER 78 Cb 0.14 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1roa n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1roa s GLN 79 N -1.73 4.14 0.04 4.33 -2.07 -1.04 -5.02 119.66 118.31 1roa s GLN 79 Ca 0.34 0.00 -0.07 0.00 -1.82 0.00 0.00 55.36 53.81 1roa s GLN 79 Cb 0.20 -3.39 -0.02 0.00 -1.09 0.00 0.00 33.01 28.71 1roa s GLN 79 CO 0.29 0.33 0.88 -2.30 -1.32 0.00 0.00 175.29 173.17 1roa n PRO 80 N 3.31 -0.11 -2.61 9.60 -0.02 -1.26 -4.45 135.00 139.45 1roa n PRO 80 Ca -0.14 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1roa n PRO 80 Cb 0.52 -1.30 -0.04 0.00 -0.02 0.00 0.00 33.50 32.67 1roa n PRO 80 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1roa s ASN 81 N -3.77 7.34 0.00 2.55 0.01 -1.26 -5.01 114.94 114.81 1roa s ASN 81 Ca -0.03 1.89 0.00 0.00 -0.71 0.00 0.00 52.86 54.01 1roa s ASN 81 Cb 0.03 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1roa s ASN 81 CO 0.15 -0.21 0.00 0.18 -1.51 0.00 0.00 177.10 175.71 1roa n LEU 82 N 3.03 0.00 0.00 0.60 4.77 -1.26 -4.93 117.00 119.20 1roa n LEU 82 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1roa n LEU 82 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1roa n LEU 82 CO 0.53 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.06 1roa n ASP 83 N -0.49 0.00 -1.46 -1.43 8.00 -1.26 -4.27 116.55 115.64 1roa n ASP 83 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1roa n ASP 83 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.39 1roa n ASP 83 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1roa n ASN 84 N 1.65 4.28 -4.69 -2.24 3.02 -1.26 -4.93 115.26 111.10 1roa n ASN 84 Ca 0.00 -2.59 -0.42 0.00 -0.03 0.00 0.00 54.58 51.54 1roa n ASN 84 Cb 0.00 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 1roa n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1roa s PRO 86 N 2.29 3.16 0.47 0.00 0.02 -1.26 -4.75 135.00 134.94 1roa s PRO 86 Ca 0.60 2.28 -0.21 0.00 0.02 0.00 0.00 61.00 63.69 1roa s PRO 86 Cb -0.28 -2.29 -0.09 0.00 0.02 0.00 0.00 34.50 31.86 1roa s PRO 86 CO 0.24 -1.18 1.01 -0.06 -0.33 0.00 0.00 177.00 176.67 1roa s PHE 87 N -1.28 3.11 0.12 6.54 0.40 -1.26 -1.23 117.98 124.38 1roa s PHE 87 Ca 0.71 1.59 -0.31 0.00 -0.60 0.00 0.00 56.93 58.32 1roa s PHE 87 Cb -0.41 -2.99 -0.08 0.00 0.51 0.00 0.00 43.02 40.04 1roa s PHE 87 CO 0.49 -0.57 1.45 1.21 0.70 0.00 0.00 175.22 178.50 1roa s ASN 88 N -2.05 6.75 -0.25 1.36 3.84 0.41 -4.72 114.94 120.28 1roa s ASN 88 Ca 0.65 2.40 0.11 0.00 0.21 0.00 0.00 52.86 56.24 1roa s ASN 88 Cb -0.14 -2.59 0.48 0.00 -0.55 0.00 0.00 41.25 38.46 1roa s ASN 88 CO 0.17 -0.71 1.40 -0.90 -2.79 0.00 0.00 177.10 174.28 1roa n ASP 89 N 4.09 2.61 -4.87 -4.21 5.68 -1.26 -4.66 116.55 113.93 1roa n ASP 89 Ca 0.12 -3.61 -0.36 0.00 -0.50 0.00 0.00 54.79 50.45 1roa n ASP 89 Cb 0.41 -0.59 -0.06 0.00 -1.14 0.00 0.00 41.12 39.74 1roa n ASP 89 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1roa s GLN 90 N -3.15 3.40 0.25 0.11 -1.52 -1.26 -5.06 119.66 112.43 1roa s GLN 90 Ca 0.42 -0.21 -0.31 0.00 -1.95 0.00 0.00 55.36 53.32 1roa s GLN 90 Cb 0.38 -3.13 -0.11 0.00 -0.22 0.00 0.00 33.01 29.92 1roa s GLN 90 CO 0.01 0.74 1.64 -2.14 -0.25 0.00 0.00 175.29 175.29 1roa s PRO 91 N -1.28 4.13 0.00 2.91 0.02 -1.26 -2.05 135.00 137.47 1roa s PRO 91 Ca 0.18 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1roa s PRO 91 Cb -0.12 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1roa s PRO 91 CO 0.08 -0.67 0.00 1.63 -0.33 0.00 0.00 177.00 177.71 1roa n LYS 92 N 3.05 -0.23 0.00 5.54 5.02 -1.26 -4.83 118.16 125.44 1roa n LYS 92 Ca 0.12 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1roa n LYS 92 Cb 0.37 -3.18 0.00 0.00 -0.02 0.00 0.00 35.03 32.20 1roa n LYS 92 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1roa n LEU 93 N 0.00 1.55 -0.02 -0.35 4.77 -0.87 -4.77 117.00 117.31 1roa n LEU 93 Ca 0.00 -1.55 -0.12 0.00 -0.03 0.00 0.00 56.01 54.30 1roa n LEU 93 Cb 0.06 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1roa n LEU 93 CO 0.00 0.39 0.70 0.11 -1.33 0.00 0.00 177.39 177.26 1roa h LYS 94 N 0.00 0.11 -6.09 3.23 1.79 -1.83 -3.46 116.57 110.33 1roa h LYS 94 Ca 0.00 -0.04 -0.40 0.00 -2.18 0.00 0.00 60.65 58.03 1roa h LYS 94 Cb 0.57 -0.01 0.09 0.00 -1.58 0.00 0.00 32.23 31.31 1roa h LYS 94 CO 0.00 0.44 -0.91 0.39 -1.08 0.00 0.00 179.45 178.29 1roa n GLU 95 N -4.83 -2.07 -3.19 3.15 -0.58 -1.26 -1.61 120.64 110.25 1roa n GLU 95 Ca -0.07 0.55 -0.34 0.00 -0.42 0.00 0.00 57.16 56.88 1roa n GLU 95 Cb 0.22 -4.59 -0.06 0.00 -0.57 0.00 0.00 31.44 26.43 1roa n GLU 95 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1roa s GLU 96 N -5.75 4.03 -0.06 3.49 2.02 -1.26 -3.95 118.70 117.23 1roa s GLU 96 Ca 0.37 0.64 -0.08 0.00 0.02 0.00 0.00 54.97 55.92 1roa s GLU 96 Cb -0.12 -2.63 0.02 0.00 0.10 0.00 0.00 34.13 31.50 1roa s GLU 96 CO 0.84 0.27 0.21 -2.00 0.02 0.00 0.00 175.26 174.59 1roa s GLU 97 N -2.60 0.34 -0.20 1.61 2.12 -0.66 -1.34 118.70 117.98 1roa s GLU 97 Ca 0.49 0.09 -0.07 0.00 0.36 0.00 0.00 54.97 55.84 1roa s GLU 97 Cb -0.12 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1roa s GLU 97 CO 0.19 -0.06 0.05 0.12 -0.54 0.00 0.00 175.26 175.02 1roa s PHE 98 N -0.37 3.17 0.04 5.30 5.36 0.07 0.07 117.98 131.63 1roa s PHE 98 Ca -0.05 -0.11 0.04 0.00 -0.96 0.00 0.00 56.93 55.86 1roa s PHE 98 Cb -0.03 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.52 1roa s PHE 98 CO 0.01 -0.01 -0.12 0.00 -1.46 0.00 0.00 175.22 173.63 1roa s SER 100 N -1.30 4.01 0.03 0.00 1.04 -0.18 0.59 113.70 117.89 1roa s SER 100 Ca -0.01 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.24 1roa s SER 100 Cb -0.08 -1.03 -0.02 0.00 0.10 0.00 0.00 66.02 64.99 1roa s SER 100 CO 0.01 0.30 -0.16 -0.36 0.98 0.00 0.00 173.24 174.02 1roa s PHE 101 N -0.47 1.40 -0.22 5.02 0.08 0.13 -1.67 117.98 122.25 1roa s PHE 101 Ca 0.06 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.78 1roa s PHE 101 Cb -0.12 -0.84 0.05 0.00 -0.57 0.00 0.00 43.02 41.54 1roa s PHE 101 CO 0.02 0.04 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.42 1roa s GLN 102 N -0.99 2.07 -0.09 0.44 -0.21 -0.51 -1.01 119.66 119.35 1roa s GLN 102 Ca 0.04 -0.98 0.04 0.00 0.02 0.00 0.00 55.36 54.48 1roa s GLN 102 Cb -0.08 -2.56 -0.00 0.00 1.00 0.00 0.00 33.01 31.37 1roa s GLN 102 CO 0.01 -0.47 -0.23 0.42 -2.12 0.00 0.00 175.29 172.89 1roa s ILE 103 N 1.32 2.01 -0.11 1.08 1.01 0.54 -0.31 121.20 126.75 1roa s ILE 103 Ca -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1roa s ILE 103 Cb -0.17 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1roa s ILE 103 CO -0.07 0.55 -0.04 0.21 0.00 0.00 0.00 174.94 175.59 1roa s ASN 104 N 0.30 4.86 0.06 3.58 2.47 0.05 0.62 114.94 126.88 1roa s ASN 104 Ca -0.17 -0.02 0.02 0.00 0.42 0.00 0.00 52.86 53.11 1roa s ASN 104 Cb -0.17 -1.49 -0.03 0.00 -1.45 0.00 0.00 41.25 38.11 1roa s ASN 104 CO 0.08 0.29 -0.08 -0.70 -3.72 0.00 0.00 177.10 172.97 1roa s GLU 105 N -0.37 0.65 -0.53 0.43 2.12 0.03 -0.36 118.70 120.67 1roa s GLU 105 Ca 0.06 -0.96 -0.03 0.00 0.36 0.00 0.00 54.97 54.40 1roa s GLU 105 Cb -0.12 -0.30 0.14 0.00 0.26 0.00 0.00 34.13 34.10 1roa s GLU 105 CO 0.02 0.04 0.34 0.08 -0.54 0.00 0.00 175.26 175.21 1roa s VAL 106 N -2.10 3.59 -0.90 3.70 1.01 0.07 -0.77 120.40 125.00 1roa s VAL 106 Ca -0.02 -2.53 0.00 0.00 0.00 0.00 0.00 61.98 59.43 1roa s VAL 106 Cb -0.05 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1roa s VAL 106 CO -0.01 -0.80 0.12 -2.65 0.00 0.00 0.00 175.10 171.75 1roa n PRO 107 N 4.01 0.00 -0.29 2.72 -0.02 -1.26 -1.44 135.00 138.72 1roa n PRO 107 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1roa n PRO 107 Cb 0.39 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1roa n PRO 107 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1roa n TRP 108 N -0.48 0.00 -0.87 6.00 2.14 -1.26 -4.85 117.44 118.12 1roa n TRP 108 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1roa n TRP 108 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1roa n TRP 108 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1roa n GLU 109 N 0.00 0.21 -3.53 -2.67 1.02 -0.52 -5.01 120.64 110.14 1roa n GLU 109 Ca 0.00 -0.44 -0.25 0.00 -0.02 0.00 0.00 57.16 56.45 1roa n GLU 109 Cb 0.60 -0.56 0.06 0.00 -0.02 0.00 0.00 31.44 31.51 1roa n GLU 109 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1roa n ASP 110 N -0.04 -5.94 -4.40 1.62 2.03 -1.21 -4.97 116.55 103.64 1roa n ASP 110 Ca 0.00 -0.53 -0.33 0.00 0.52 0.00 0.00 54.79 54.45 1roa n ASP 110 Cb 0.39 -4.72 -0.14 0.00 -0.72 0.00 0.00 41.12 35.93 1roa n ASP 110 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1roa s LYS 111 N -6.24 3.34 -0.09 -0.67 -0.14 -1.25 -5.02 119.74 109.67 1roa s LYS 111 Ca 0.54 -0.67 -0.17 0.00 -1.36 0.00 0.00 55.97 54.31 1roa s LYS 111 Cb -0.25 -2.64 0.04 0.00 -1.68 0.00 0.00 37.83 33.30 1roa s LYS 111 CO 0.66 0.26 0.42 -1.50 -0.76 0.00 0.00 175.35 174.43 1roa s ILE 112 N 0.24 0.02 0.16 2.17 2.07 -1.26 -0.75 121.20 123.85 1roa s ILE 112 Ca -0.08 -0.18 -0.23 0.00 -1.41 0.00 0.00 60.65 58.74 1roa s ILE 112 Cb -0.15 -0.66 0.07 0.00 0.13 0.00 0.00 42.46 41.85 1roa s ILE 112 CO 0.05 -0.10 0.66 -0.94 -1.91 0.00 0.00 174.94 172.70 1roa s SER 113 N -0.54 -0.49 -0.27 4.50 1.04 0.52 -4.99 113.70 113.46 1roa s SER 113 Ca -0.07 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.09 1roa s SER 113 Cb -0.03 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1roa s SER 113 CO 0.03 -0.98 0.52 -0.63 0.98 0.00 0.00 173.24 173.16 1roa s ILE 114 N -3.69 5.06 0.00 -1.02 1.01 -1.26 -0.77 121.20 120.54 1roa s ILE 114 Ca 0.03 0.84 -0.15 0.00 0.00 0.00 0.00 60.65 61.37 1roa s ILE 114 Cb -0.02 -3.84 -0.34 0.00 0.01 0.00 0.00 42.46 38.27 1roa s ILE 114 CO -0.09 0.06 0.90 -0.07 0.00 0.00 0.00 174.94 175.73 1roa h LEU 115 N 8.82 0.77 -7.21 2.97 4.07 -1.03 -3.48 115.31 120.23 1roa h LEU 115 Ca -0.29 -0.93 0.08 0.00 0.08 0.00 0.00 57.88 56.82 1roa h LEU 115 Cb 1.14 -0.25 -0.12 0.00 1.08 0.00 0.00 40.66 42.51 1roa h LEU 115 CO 0.72 1.73 0.38 0.21 -1.08 0.00 0.00 178.44 180.40 1roa s ASN 116 N -7.48 -0.39 -0.01 -0.43 3.84 -1.15 -5.01 114.94 104.31 1roa s ASN 116 Ca -0.11 -0.13 -0.28 0.00 0.21 0.00 0.00 52.86 52.55 1roa s ASN 116 Cb 0.04 0.50 0.09 0.00 -0.55 0.00 0.00 41.25 41.34 1roa s ASN 116 CO 0.92 -0.84 0.80 -0.72 -2.79 0.00 0.00 177.10 174.46 1roa s TYR 117 N -3.42 -0.47 -0.14 0.43 -0.85 -1.26 -1.42 117.35 110.22 1roa s TYR 117 Ca 0.06 0.55 -0.06 0.00 -0.52 0.00 0.00 57.07 57.09 1roa s TYR 117 Cb -0.02 0.49 0.06 0.00 0.38 0.00 0.00 41.96 42.88 1roa s TYR 117 CO -0.07 -0.58 0.31 0.21 -1.52 0.00 0.00 175.55 173.90 1roa s LYS 118 N -2.36 0.22 0.11 -3.49 2.20 -0.67 -4.97 119.74 110.78 1roa s LYS 118 Ca -0.01 0.76 0.10 0.00 -0.36 0.00 0.00 55.97 56.46 1roa s LYS 118 Cb -0.01 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1roa s LYS 118 CO -0.03 -0.24 -0.25 0.00 -0.36 0.00 0.00 175.35 174.47 1roa s ARG 120 N -1.85 0.28 0.33 0.00 0.52 -0.04 -4.99 118.95 113.21 1roa s ARG 120 Ca 0.11 0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 55.61 1roa s ARG 120 Cb -0.10 -0.03 -0.10 0.00 0.52 0.00 0.00 34.95 35.23 1roa s ARG 120 CO 0.05 -0.14 1.36 0.15 0.02 0.00 0.00 175.30 176.75 1roa s LYS 121 N 1.06 4.29 0.00 3.54 3.01 -1.26 -0.75 119.74 129.63 1roa s LYS 121 Ca -0.07 2.31 0.30 0.00 -1.01 0.00 0.00 55.97 57.50 1roa s LYS 121 Cb -0.08 -3.05 1.81 0.00 -1.01 0.00 0.00 37.83 35.50 1roa s LYS 121 CO -0.08 -0.29 2.14 0.28 0.51 0.00 0.00 175.35 177.91