#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1scs s ASP 2 N 0.00 5.27 -0.19 0.00 1.01 -1.26 -5.03 116.67 116.46 1scs s ASP 2 Ca 0.00 2.08 -0.04 0.00 0.71 0.00 0.00 52.55 55.29 1scs s ASP 2 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1scs s ASP 2 CO 0.00 -1.52 -0.02 -0.89 0.21 0.00 0.00 175.17 172.95 1scs s THR 3 N -2.13 3.80 -0.06 -1.27 2.01 -1.26 -5.02 115.64 111.71 1scs s THR 3 Ca 0.69 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.36 1scs s THR 3 Cb -0.22 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1scs s THR 3 CO 0.37 0.44 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.95 1scs s ILE 4 N 0.96 1.37 -0.10 1.82 -1.09 -1.26 -3.27 121.20 119.63 1scs s ILE 4 Ca 0.01 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1scs s ILE 4 Cb -0.14 -1.21 0.01 0.00 -1.58 0.00 0.00 42.46 39.54 1scs s ILE 4 CO 0.01 0.40 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.27 1scs s VAL 5 N 0.33 1.57 0.04 2.92 1.01 -0.79 -0.57 120.40 124.91 1scs s VAL 5 Ca -0.10 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1scs s VAL 5 Cb -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1scs s VAL 5 CO 0.04 0.45 0.17 0.00 0.00 0.00 0.00 175.10 175.76 1scs s ALA 6 N 0.83 -0.29 -0.26 5.51 0.00 0.10 -0.83 121.76 126.82 1scs s ALA 6 Ca -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1scs s ALA 6 Cb -0.16 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1scs s ALA 6 CO 0.01 -0.34 -0.01 0.08 0.00 0.00 0.00 175.76 175.50 1scs s VAL 7 N -2.46 3.32 -0.08 0.00 1.01 0.18 -0.75 120.40 121.62 1scs s VAL 7 Ca -0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1scs s VAL 7 Cb -0.02 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1scs s VAL 7 CO -0.03 0.19 0.16 -1.83 0.00 0.00 0.00 175.10 173.59 1scs s GLU 8 N 1.41 3.45 -0.61 2.72 -1.05 0.32 -1.34 118.70 123.61 1scs s GLU 8 Ca 0.02 -0.18 -0.02 0.00 -0.15 0.00 0.00 54.97 54.64 1scs s GLU 8 Cb -0.16 -3.16 0.16 0.00 -0.44 0.00 0.00 34.13 30.53 1scs s GLU 8 CO -0.02 0.74 0.41 -0.51 0.95 0.00 0.00 175.26 176.83 1scs s LEU 9 N -1.35 5.12 -0.38 1.83 1.02 0.82 -1.12 118.68 124.61 1scs s LEU 9 Ca 0.20 -2.86 -0.19 0.00 0.02 0.00 0.00 54.13 51.29 1scs s LEU 9 Cb -0.12 -1.82 0.01 0.00 0.02 0.00 0.00 46.19 44.27 1scs s LEU 9 CO 0.09 -0.35 0.56 -0.62 0.02 0.00 0.00 176.35 176.05 1scs s ASP 10 N 0.58 6.32 0.22 2.29 -1.08 0.05 -1.62 116.67 123.43 1scs s ASP 10 Ca 0.17 -0.17 0.24 0.00 -0.52 0.00 0.00 52.55 52.27 1scs s ASP 10 Cb -0.21 -2.28 0.27 0.00 -1.46 0.00 0.00 42.92 39.24 1scs s ASP 10 CO -0.03 -0.59 1.33 0.71 0.52 0.00 0.00 175.17 177.11 1scs h THR 11 N 5.71 0.00 -3.22 1.71 1.35 -1.62 -1.48 112.91 115.37 1scs h THR 11 Ca -0.27 -0.77 -0.67 0.00 -0.55 0.00 0.00 66.41 64.15 1scs h THR 11 Cb 1.11 1.46 -0.33 0.00 -1.73 0.00 0.00 68.15 68.66 1scs h THR 11 CO 0.82 0.00 -0.85 -0.47 -0.25 0.00 0.00 175.52 174.76 1scs s TYR 12 N -3.24 2.70 -0.74 4.73 6.14 -1.24 -4.45 117.35 121.25 1scs s TYR 12 Ca 0.04 -1.28 -0.27 0.00 0.64 0.00 0.00 57.07 56.21 1scs s TYR 12 Cb 0.10 -1.84 0.03 0.00 0.42 0.00 0.00 41.96 40.67 1scs s TYR 12 CO 0.72 -0.58 1.34 -1.25 0.64 0.00 0.00 175.55 176.42 1scs s PRO 13 N 0.83 3.15 -1.13 4.97 0.04 -1.26 -4.92 135.00 136.68 1scs s PRO 13 Ca -0.06 -0.20 -0.12 0.00 0.04 0.00 0.00 61.00 60.67 1scs s PRO 13 Cb -0.15 -4.25 0.23 0.00 0.04 0.00 0.00 34.50 30.37 1scs s PRO 13 CO -0.02 -2.21 1.22 -0.80 0.04 0.00 0.00 177.00 175.23 1scs s ASN 14 N 4.20 7.18 0.66 6.66 -0.87 -1.26 -4.88 114.94 126.63 1scs s ASN 14 Ca 0.38 -3.26 0.44 0.00 -1.57 0.00 0.00 52.86 48.85 1scs s ASN 14 Cb -0.08 -2.29 2.37 0.00 -0.02 0.00 0.00 41.25 41.22 1scs s ASN 14 CO 0.15 -0.51 2.35 0.71 -2.57 0.00 0.00 177.10 177.22 1scs h THR 15 N 4.19 0.00 0.00 1.60 1.35 -1.84 -1.65 112.91 116.56 1scs h THR 15 Ca 0.23 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1scs h THR 15 Cb 0.89 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1scs h THR 15 CO 1.09 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 174.12 1scs h ASP 16 N 0.00 0.00 -0.21 5.36 2.03 -1.89 -2.65 116.42 119.05 1scs h ASP 16 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1scs h ASP 16 Cb 0.03 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.50 1scs h ASP 16 CO 0.00 0.00 -0.07 2.30 -1.03 0.00 0.00 179.24 180.44 1scs n ILE 17 N -3.00 2.29 -0.49 4.15 -5.35 -0.68 -4.97 119.36 111.31 1scs n ILE 17 Ca 0.02 -2.38 0.00 0.00 -0.27 0.00 0.00 62.75 60.13 1scs n ILE 17 Cb 0.39 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 1scs n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1scs n GLY 18 N -0.97 0.75 3.77 3.28 0.00 -1.00 -4.59 105.19 106.43 1scs n GLY 18 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1scs n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1scs s ASP 19 N -2.75 6.05 1.06 1.61 1.01 -0.83 -4.91 116.67 117.90 1scs s ASP 19 Ca 0.00 2.46 -0.12 0.00 0.71 0.00 0.00 52.55 55.61 1scs s ASP 19 Cb 0.00 -2.62 0.22 0.00 1.01 0.00 0.00 42.92 41.54 1scs s ASP 19 CO 0.00 -1.01 1.07 -2.16 0.21 0.00 0.00 175.17 173.28 1scs s PRO 20 N -2.62 -0.07 0.00 8.23 0.04 -1.26 -3.99 135.00 135.33 1scs s PRO 20 Ca 0.63 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1scs s PRO 20 Cb -0.33 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1scs s PRO 20 CO 0.40 -3.22 0.40 0.43 0.04 0.00 0.00 177.00 175.05 1scs n SER 21 N -4.60 0.96 -3.76 6.66 7.64 -1.26 -4.60 113.62 114.66 1scs n SER 21 Ca 0.06 -1.29 -0.10 0.00 1.01 0.00 0.00 58.87 58.56 1scs n SER 21 Cb 0.54 -0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 1scs n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1scs s TYR 22 N -0.67 0.00 0.32 1.43 -0.85 -1.26 -4.95 117.35 111.37 1scs s TYR 22 Ca 0.00 -0.36 -0.26 0.00 -0.52 0.00 0.00 57.07 55.93 1scs s TYR 22 Cb 0.00 0.15 -0.14 0.00 0.38 0.00 0.00 41.96 42.35 1scs s TYR 22 CO 0.00 -0.71 0.76 -2.30 -1.52 0.00 0.00 175.55 171.78 1scs n PRO 23 N -0.21 0.81 -3.55 -3.49 -0.02 -1.26 -4.58 135.00 122.71 1scs n PRO 23 Ca -0.13 0.29 -0.11 0.00 -2.02 0.00 0.00 63.50 61.52 1scs n PRO 23 Cb 0.63 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 1scs n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1scs s HIS 24 N -1.19 -0.34 -0.01 6.00 -3.43 -0.56 -1.11 115.29 114.66 1scs s HIS 24 Ca 0.61 0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.96 1scs s HIS 24 Cb -0.71 0.38 -0.04 0.00 -1.43 0.00 0.00 32.58 30.78 1scs s HIS 24 CO 0.58 -0.76 0.04 0.96 -2.00 0.00 0.00 174.74 173.57 1scs s ILE 25 N -3.71 4.46 0.10 -5.38 -4.36 -0.45 -0.77 121.20 111.09 1scs s ILE 25 Ca 0.02 -0.48 -0.10 0.00 -0.26 0.00 0.00 60.65 59.83 1scs s ILE 25 Cb 0.01 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1scs s ILE 25 CO -0.12 0.38 0.24 -0.83 0.24 0.00 0.00 174.94 174.85 1scs s GLY 26 N -1.59 0.06 -0.22 6.27 0.00 -0.28 -1.23 107.32 110.33 1scs s GLY 26 Ca 0.21 -0.54 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 1scs s GLY 26 CO 0.11 -0.72 -0.04 -0.42 0.00 0.00 0.00 173.10 172.04 1scs s ILE 27 N -3.86 3.42 -0.27 0.90 1.01 -0.66 -0.52 121.20 121.22 1scs s ILE 27 Ca 0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1scs s ILE 27 Cb 0.04 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.96 1scs s ILE 27 CO -0.10 0.41 0.02 -1.81 0.00 0.00 0.00 174.94 173.46 1scs s ASP 28 N 1.49 4.76 -0.39 3.58 1.01 0.07 -0.35 116.67 126.84 1scs s ASP 28 Ca 0.06 -0.65 -0.05 0.00 0.71 0.00 0.00 52.55 52.62 1scs s ASP 28 Cb -0.14 -1.80 0.09 0.00 1.01 0.00 0.00 42.92 42.07 1scs s ASP 28 CO -0.03 -0.13 0.17 -0.63 0.21 0.00 0.00 175.17 174.76 1scs s ILE 29 N 1.46 3.52 -1.72 0.77 -1.09 -1.26 -0.72 121.20 122.15 1scs s ILE 29 Ca 0.03 -1.68 0.00 0.00 -2.23 0.00 0.00 60.65 56.77 1scs s ILE 29 Cb -0.16 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1scs s ILE 29 CO -0.00 -0.49 0.00 0.29 -1.23 0.00 0.00 174.94 173.51 1scs n LYS 30 N 4.70 -1.36 -3.56 2.79 5.02 0.26 -4.90 118.16 121.12 1scs n LYS 30 Ca -0.07 0.96 -0.15 0.00 -2.02 0.00 0.00 58.31 57.02 1scs n LYS 30 Cb 0.42 -5.26 -0.06 0.00 -0.02 0.00 0.00 35.03 30.11 1scs n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1scs s SER 31 N -2.37 -0.62 0.50 4.39 0.15 -1.26 -4.95 113.70 109.54 1scs s SER 31 Ca 0.00 0.84 0.29 0.00 0.70 0.00 0.00 55.95 57.77 1scs s SER 31 Cb 0.00 0.73 1.09 0.00 -1.71 0.00 0.00 66.02 66.13 1scs s SER 31 CO 0.00 -0.46 1.89 1.62 1.20 0.00 0.00 173.24 177.49 1scs h VAL 32 N 3.19 0.24 -1.91 4.45 3.04 -1.84 -3.40 116.25 120.02 1scs h VAL 32 Ca -0.26 -0.81 -0.56 0.00 -1.01 0.00 0.00 66.70 64.05 1scs h VAL 32 Cb 1.15 1.66 -0.09 0.00 -2.01 0.00 0.00 31.29 32.00 1scs h VAL 32 CO 0.28 0.09 1.22 -0.13 -1.01 0.00 0.00 177.57 178.03 1scs s ARG 33 N -3.62 3.33 0.24 4.17 0.52 -1.26 -4.94 118.95 117.39 1scs s ARG 33 Ca 0.01 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 1scs s ARG 33 Cb 0.09 -4.61 -0.15 0.00 0.52 0.00 0.00 34.95 30.81 1scs s ARG 33 CO 0.59 -2.17 1.05 0.43 0.02 0.00 0.00 175.30 175.23 1scs n SER 34 N 9.20 1.25 0.18 0.23 7.64 -1.26 -4.82 113.62 126.04 1scs n SER 34 Ca 0.14 1.16 0.05 0.00 1.01 0.00 0.00 58.87 61.23 1scs n SER 34 Cb 0.50 -1.25 0.30 0.00 -1.01 0.00 0.00 64.21 62.74 1scs n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1scs h LYS 35 N 2.50 0.00 -2.36 1.43 1.79 -1.04 -3.45 116.57 115.45 1scs h LYS 35 Ca -0.40 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.99 1scs h LYS 35 Cb 1.34 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.77 1scs h LYS 35 CO 0.64 0.41 -0.03 0.21 -1.08 0.00 0.00 179.45 179.60 1scs s LYS 36 N -3.56 0.71 0.23 3.15 2.47 -1.24 -5.01 119.74 116.49 1scs s LYS 36 Ca 0.00 0.69 0.01 0.00 -1.56 0.00 0.00 55.97 55.11 1scs s LYS 36 Cb 0.11 0.34 -0.05 0.00 -1.46 0.00 0.00 37.83 36.77 1scs s LYS 36 CO 0.70 -0.11 0.08 0.95 0.16 0.00 0.00 175.35 177.13 1scs s THR 37 N 0.06 0.47 -0.11 3.43 -4.23 -1.26 -1.65 115.64 112.35 1scs s THR 37 Ca -0.02 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.39 1scs s THR 37 Cb -0.04 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.34 1scs s THR 37 CO 0.02 -0.11 0.30 0.00 -0.54 0.00 0.00 174.62 174.29 1scs s ALA 38 N -3.82 -0.75 0.33 3.99 0.00 -0.36 -4.97 121.76 116.18 1scs s ALA 38 Ca 0.35 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 1scs s ALA 38 Cb 0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 23.12 22.62 1scs s ALA 38 CO 0.11 -0.15 1.47 1.17 0.00 0.00 0.00 175.76 178.36 1scs n LYS 39 N 2.81 2.50 -4.00 0.00 4.81 -1.26 -1.34 118.16 121.67 1scs n LYS 39 Ca -0.13 0.88 -0.28 0.00 -0.87 0.00 0.00 58.31 57.91 1scs n LYS 39 Cb 0.58 -2.59 -0.17 0.00 0.02 0.00 0.00 35.03 32.87 1scs n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1scs s TRP 40 N -0.64 1.77 -1.25 5.64 -0.00 -0.26 -4.76 118.94 119.43 1scs s TRP 40 Ca 0.59 -0.92 -0.15 0.00 -0.00 0.00 0.00 56.10 55.62 1scs s TRP 40 Cb -0.52 -1.37 0.14 0.00 -0.00 0.00 0.00 33.47 31.71 1scs s TRP 40 CO 0.57 -0.56 1.58 0.09 -0.00 0.00 0.00 176.95 178.63 1scs n ASN 41 N 4.80 5.09 -4.75 5.86 3.02 -1.26 -4.38 115.26 123.63 1scs n ASN 41 Ca -0.15 -2.96 -0.41 0.00 -0.03 0.00 0.00 54.58 51.02 1scs n ASN 41 Cb 0.50 -1.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.03 1scs n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1scs s MET 42 N 2.35 4.24 -0.33 3.52 -2.45 -1.26 -5.00 119.30 120.37 1scs s MET 42 Ca 0.46 2.36 -0.03 0.00 -1.25 0.00 0.00 55.69 57.23 1scs s MET 42 Cb 0.01 -3.09 0.06 0.00 1.25 0.00 0.00 34.83 33.06 1scs s MET 42 CO 0.02 -0.45 0.06 -0.65 1.05 0.00 0.00 175.02 175.05 1scs s GLN 43 N -0.50 2.37 0.06 4.11 -0.21 -1.26 -5.07 119.66 119.17 1scs s GLN 43 Ca 0.59 -1.36 -0.31 0.00 0.02 0.00 0.00 55.36 54.31 1scs s GLN 43 Cb -0.43 -3.31 -0.08 0.00 1.00 0.00 0.00 33.01 30.18 1scs s GLN 43 CO 0.45 -0.72 1.74 1.21 -2.12 0.00 0.00 175.29 175.85 1scs s ASN 44 N 1.39 6.55 0.00 5.90 3.84 -1.26 -1.98 114.94 129.38 1scs s ASN 44 Ca -0.02 2.54 0.00 0.00 0.21 0.00 0.00 52.86 55.60 1scs s ASN 44 Cb -0.20 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.94 1scs s ASN 44 CO -0.01 -0.94 0.00 0.61 -2.79 0.00 0.00 177.10 173.97 1scs n GLY 45 N 4.14 1.06 3.86 1.21 0.00 0.14 -4.98 105.19 110.61 1scs n GLY 45 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1scs n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1scs s LYS 46 N -0.44 3.18 -0.16 1.61 -0.14 -0.84 -4.94 119.74 118.00 1scs s LYS 46 Ca 0.00 -0.63 -0.24 0.00 -1.36 0.00 0.00 55.97 53.74 1scs s LYS 46 Cb 0.00 -2.86 -0.02 0.00 -1.68 0.00 0.00 37.83 33.27 1scs s LYS 46 CO 0.00 0.55 0.77 0.08 -0.76 0.00 0.00 175.35 175.99 1scs s VAL 47 N -1.58 4.93 0.40 3.17 1.01 -1.26 -4.19 120.40 122.89 1scs s VAL 47 Ca 0.32 1.50 0.08 0.00 0.00 0.00 0.00 61.98 63.88 1scs s VAL 47 Cb -0.12 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1scs s VAL 47 CO 0.26 0.07 0.27 -0.83 0.00 0.00 0.00 175.10 174.87 1scs s GLY 48 N 1.13 2.19 -0.03 4.51 0.00 0.04 -4.46 107.32 110.69 1scs s GLY 48 Ca 0.36 -1.97 0.01 0.00 0.00 0.00 0.00 44.72 43.12 1scs s GLY 48 CO 0.13 -1.79 -0.04 -1.59 0.00 0.00 0.00 173.10 169.80 1scs s THR 49 N -2.52 0.47 -0.05 0.90 2.01 -0.12 -1.40 115.64 114.95 1scs s THR 49 Ca 0.44 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.37 1scs s THR 49 Cb -0.00 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1scs s THR 49 CO 0.25 0.20 -0.19 0.00 -0.69 0.00 0.00 174.62 174.19 1scs s ALA 50 N 0.74 2.46 -0.07 7.40 0.00 -0.33 -1.41 121.76 130.55 1scs s ALA 50 Ca -0.09 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1scs s ALA 50 Cb -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1scs s ALA 50 CO -0.00 0.52 -0.18 -1.01 0.00 0.00 0.00 175.76 175.09 1scs s HIS 51 N -0.59 1.92 -0.05 0.00 3.76 0.24 -1.80 115.29 118.77 1scs s HIS 51 Ca 0.09 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 1scs s HIS 51 Cb -0.11 -1.32 -0.00 0.00 1.11 0.00 0.00 32.58 32.26 1scs s HIS 51 CO 0.01 -0.29 -0.17 0.42 -0.85 0.00 0.00 174.74 173.85 1scs s ILE 52 N 0.36 1.45 0.03 0.60 1.09 0.02 -0.80 121.20 123.95 1scs s ILE 52 Ca -0.13 -0.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.70 1scs s ILE 52 Cb -0.15 -1.26 -0.02 0.00 -1.06 0.00 0.00 42.46 39.97 1scs s ILE 52 CO 0.05 0.42 -0.04 0.27 -0.10 0.00 0.00 174.94 175.54 1scs s ILE 53 N 0.10 0.19 -0.14 2.92 -4.36 -0.19 -0.71 121.20 119.01 1scs s ILE 53 Ca -0.05 -1.02 -0.29 0.00 -0.26 0.00 0.00 60.65 59.02 1scs s ILE 53 Cb -0.12 -0.43 0.09 0.00 1.25 0.00 0.00 42.46 43.25 1scs s ILE 53 CO 0.03 -0.53 0.81 -0.47 0.24 0.00 0.00 174.94 175.02 1scs s TYR 54 N -1.68 -0.58 0.01 1.37 5.04 -0.81 -1.69 117.35 119.01 1scs s TYR 54 Ca -0.13 1.11 -0.10 0.00 -2.44 0.00 0.00 57.07 55.50 1scs s TYR 54 Cb -0.08 0.40 0.01 0.00 0.35 0.00 0.00 41.96 42.63 1scs s TYR 54 CO -0.02 -0.46 0.21 0.54 -1.34 0.00 0.00 175.55 174.48 1scs s ASN 55 N -0.80 -0.04 0.00 4.32 2.20 -1.26 -1.49 114.94 117.87 1scs s ASN 55 Ca -0.05 -0.17 0.22 0.00 -0.94 0.00 0.00 52.86 51.91 1scs s ASN 55 Cb -0.01 0.26 0.93 0.00 -2.00 0.00 0.00 41.25 40.43 1scs s ASN 55 CO 0.05 -0.45 1.69 -1.54 -2.94 0.00 0.00 177.10 173.90 1scs n SER 56 N 1.15 0.00 -0.04 3.54 3.41 0.57 -1.16 113.62 121.10 1scs n SER 56 Ca -0.21 0.46 -0.07 0.00 -0.26 0.00 0.00 58.87 58.79 1scs n SER 56 Cb 0.57 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 1scs n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1scs h VAL 57 N 0.00 0.85 0.00 -3.33 2.07 -1.89 -3.37 116.25 110.58 1scs h VAL 57 Ca 0.00 -1.55 -0.15 0.00 0.82 0.00 0.00 66.70 65.81 1scs h VAL 57 Cb 0.36 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1scs h VAL 57 CO 0.00 0.28 -0.73 0.44 0.02 0.00 0.00 177.57 177.58 1scs h ASP 58 N -0.98 0.00 -5.93 0.57 3.32 -1.97 -3.48 116.42 107.95 1scs h ASP 58 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.66 1scs h ASP 58 Cb 0.49 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.14 1scs h ASP 58 CO 0.01 0.73 -0.82 0.29 -1.72 0.00 0.00 179.24 177.72 1scs n LYS 59 N -3.41 -4.98 -3.87 3.56 5.02 -0.31 -4.92 118.16 109.26 1scs n LYS 59 Ca 0.00 0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 56.76 1scs n LYS 59 Cb 0.78 -5.36 -0.17 0.00 -0.02 0.00 0.00 35.03 30.26 1scs n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1scs s ARG 60 N -5.69 0.72 -0.24 1.97 3.52 -1.26 -1.15 118.95 116.82 1scs s ARG 60 Ca 0.06 0.03 -0.16 0.00 -0.13 0.00 0.00 55.73 55.54 1scs s ARG 60 Cb -0.01 -0.98 -0.04 0.00 -1.56 0.00 0.00 34.95 32.36 1scs s ARG 60 CO 0.79 -0.25 0.40 -1.17 -0.81 0.00 0.00 175.30 174.26 1scs s LEU 61 N 1.71 4.09 0.09 -0.88 2.96 0.01 -4.25 118.68 122.40 1scs s LEU 61 Ca 0.01 0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 1scs s LEU 61 Cb -0.13 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1scs s LEU 61 CO -0.04 -0.15 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.21 1scs s SER 62 N 1.38 2.18 0.00 3.68 0.01 -0.68 -0.88 113.70 119.38 1scs s SER 62 Ca 0.17 -0.66 -0.00 0.00 1.31 0.00 0.00 55.95 56.77 1scs s SER 62 Cb -0.15 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1scs s SER 62 CO 0.09 -0.00 -0.00 0.00 0.41 0.00 0.00 173.24 173.73 1scs s ALA 63 N -1.25 0.02 -0.05 1.44 0.00 -0.21 -1.02 121.76 120.70 1scs s ALA 63 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1scs s ALA 63 Cb -0.10 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1scs s ALA 63 CO 0.03 -0.06 -0.11 0.08 0.00 0.00 0.00 175.76 175.71 1scs s VAL 64 N -0.47 0.98 -0.04 0.00 1.01 0.02 -1.71 120.40 120.18 1scs s VAL 64 Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1scs s VAL 64 Cb -0.03 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1scs s VAL 64 CO -0.00 0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 174.57 1scs s VAL 65 N 0.45 1.25 0.19 2.92 1.01 -0.09 -0.59 120.40 125.55 1scs s VAL 65 Ca -0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1scs s VAL 65 Cb -0.13 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1scs s VAL 65 CO 0.02 0.37 0.33 -0.94 0.00 0.00 0.00 175.10 174.87 1scs s SER 66 N 0.04 0.00 0.07 3.32 1.04 -0.50 -0.94 113.70 116.73 1scs s SER 66 Ca -0.03 -0.93 0.05 0.00 0.48 0.00 0.00 55.95 55.53 1scs s SER 66 Cb -0.10 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1scs s SER 66 CO 0.01 -0.96 -0.15 -0.31 0.98 0.00 0.00 173.24 172.82 1scs s TYR 67 N -4.00 1.27 0.33 5.02 2.02 -1.26 -0.94 117.35 119.78 1scs s TYR 67 Ca 0.21 -0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 56.20 1scs s TYR 67 Cb 0.02 -0.72 -0.13 0.00 -0.40 0.00 0.00 41.96 40.73 1scs s TYR 67 CO 0.04 0.06 1.17 -2.30 -1.57 0.00 0.00 175.55 172.95 1scs n PRO 68 N 1.41 1.79 -1.52 -1.71 -0.02 -1.26 -2.39 135.00 131.30 1scs n PRO 68 Ca -0.20 0.63 -0.17 0.00 -2.02 0.00 0.00 63.50 61.74 1scs n PRO 68 Cb 0.54 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 1scs n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1scs n ASN 69 N 0.92 -5.04 -4.07 2.55 5.03 -1.26 -4.96 115.26 108.42 1scs n ASN 69 Ca 0.07 0.41 -0.11 0.00 0.87 0.00 0.00 54.58 55.81 1scs n ASN 69 Cb 0.35 -4.04 -0.11 0.00 -1.02 0.00 0.00 39.78 34.95 1scs n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1scs s ALA 70 N -2.64 0.56 0.51 5.41 0.00 -1.00 -5.13 121.76 119.47 1scs s ALA 70 Ca 0.00 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 1scs s ALA 70 Cb 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 1scs s ALA 70 CO 0.00 -0.11 1.17 -0.51 0.00 0.00 0.00 175.76 176.31 1scs s ASP 71 N -1.93 5.86 0.57 0.00 1.01 -1.26 -4.56 116.67 116.36 1scs s ASP 71 Ca -0.06 2.30 -0.02 0.00 0.71 0.00 0.00 52.55 55.49 1scs s ASP 71 Cb -0.06 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.30 1scs s ASP 71 CO -0.02 -1.13 0.83 -0.94 0.21 0.00 0.00 175.17 174.12 1scs s SER 72 N -1.49 5.33 0.07 0.27 1.04 -1.26 -4.71 113.70 112.94 1scs s SER 72 Ca 0.69 0.26 0.09 0.00 0.48 0.00 0.00 55.95 57.47 1scs s SER 72 Cb -0.28 -1.18 -0.03 0.00 0.10 0.00 0.00 66.02 64.62 1scs s SER 72 CO 0.33 -1.15 -0.23 0.00 0.98 0.00 0.00 173.24 173.17 1scs s ALA 73 N -2.87 2.44 0.01 5.32 0.00 -0.11 -4.96 121.76 121.58 1scs s ALA 73 Ca 0.56 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 1scs s ALA 73 Cb -0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1scs s ALA 73 CO 0.41 0.55 0.03 -0.08 0.00 0.00 0.00 175.76 176.67 1scs s THR 74 N -0.93 0.07 -0.02 0.00 -1.32 -1.26 -0.91 115.64 111.28 1scs s THR 74 Ca 0.14 -0.61 -0.05 0.00 -1.21 0.00 0.00 61.69 59.95 1scs s THR 74 Cb -0.10 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1scs s THR 74 CO 0.05 -0.34 0.11 0.54 -2.21 0.00 0.00 174.62 172.77 1scs s VAL 75 N -1.04 0.05 0.01 5.08 0.11 -0.70 -4.75 120.40 119.16 1scs s VAL 75 Ca -0.11 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1scs s VAL 75 Cb -0.07 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1scs s VAL 75 CO -0.00 -0.24 0.05 -0.44 -3.33 0.00 0.00 175.10 171.13 1scs s SER 76 N -0.82 0.13 -0.10 3.54 0.01 -1.26 -1.04 113.70 114.16 1scs s SER 76 Ca -0.09 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.76 1scs s SER 76 Cb -0.05 0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.36 1scs s SER 76 CO 0.01 -0.32 0.26 -0.47 0.41 0.00 0.00 173.24 173.13 1scs s TYR 77 N -1.36 -0.32 -0.35 2.43 5.04 -0.06 -4.93 117.35 117.81 1scs s TYR 77 Ca -0.15 0.76 -0.26 0.00 -2.44 0.00 0.00 57.07 54.99 1scs s TYR 77 Cb -0.08 0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.32 1scs s TYR 77 CO 0.00 -0.19 0.91 -0.51 -1.34 0.00 0.00 175.55 174.43 1scs s ASP 78 N 0.71 6.71 -0.19 4.32 1.01 -1.26 -0.81 116.67 127.16 1scs s ASP 78 Ca -0.05 0.67 -0.13 0.00 0.71 0.00 0.00 52.55 53.76 1scs s ASP 78 Cb -0.06 -2.46 0.06 0.00 1.01 0.00 0.00 42.92 41.47 1scs s ASP 78 CO -0.04 -0.80 0.48 0.54 0.21 0.00 0.00 175.17 175.55 1scs s VAL 79 N 3.37 -0.01 -0.50 -1.27 0.11 -0.30 -4.98 120.40 116.81 1scs s VAL 79 Ca 0.38 0.05 -0.20 0.00 -2.93 0.00 0.00 61.98 59.27 1scs s VAL 79 Cb -0.13 -0.69 0.05 0.00 -1.53 0.00 0.00 36.38 34.08 1scs s VAL 79 CO 0.17 0.02 0.69 -0.62 -3.33 0.00 0.00 175.10 172.03 1scs s ASP 80 N 1.08 6.27 0.44 3.54 -1.08 -1.26 -4.08 116.67 121.58 1scs s ASP 80 Ca -0.07 -0.67 0.30 0.00 -0.52 0.00 0.00 52.55 51.60 1scs s ASP 80 Cb -0.06 -2.33 1.39 0.00 -1.46 0.00 0.00 42.92 40.46 1scs s ASP 80 CO -0.10 -0.94 1.91 -0.07 0.52 0.00 0.00 175.17 176.50 1scs h LEU 81 N 9.97 0.00 -1.65 -1.34 3.38 -1.96 -1.62 115.31 122.08 1scs h LEU 81 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1scs h LEU 81 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1scs h LEU 81 CO 0.97 0.00 -0.09 0.44 0.09 0.00 0.00 178.44 179.86 1scs h ASP 82 N 0.00 0.00 0.10 -0.43 3.32 -1.91 0.76 116.42 118.25 1scs h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1scs h ASP 82 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1scs h ASP 82 CO 0.00 0.09 -0.32 0.59 -1.72 0.00 0.00 179.24 177.88 1scs n ASN 83 N -3.30 1.59 -0.05 6.45 3.02 -0.61 -4.54 115.26 117.82 1scs n ASN 83 Ca -0.01 -1.26 -0.09 0.00 -0.03 0.00 0.00 54.58 53.19 1scs n ASN 83 Cb 0.30 0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 1scs n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1scs n VAL 84 N -0.22 0.55 -3.95 2.41 0.31 -0.57 -5.07 118.33 111.80 1scs n VAL 84 Ca 0.12 -0.16 -0.25 0.00 -0.01 0.00 0.00 64.34 64.03 1scs n VAL 84 Cb 0.41 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 1scs n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1scs s LEU 85 N -6.20 4.33 1.10 7.52 1.43 0.15 -4.96 118.68 122.06 1scs s LEU 85 Ca -0.14 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 1scs s LEU 85 Cb 0.05 -2.90 0.25 0.00 0.03 0.00 0.00 46.19 43.61 1scs s LEU 85 CO 0.19 0.03 1.05 -2.16 0.23 0.00 0.00 176.35 175.70 1scs s PRO 86 N -3.35 -0.40 0.46 1.29 0.04 -1.26 -4.69 135.00 127.09 1scs s PRO 86 Ca 0.34 0.88 0.26 0.00 0.04 0.00 0.00 61.00 62.53 1scs s PRO 86 Cb -0.11 -1.61 0.78 0.00 0.04 0.00 0.00 34.50 33.60 1scs s PRO 86 CO 0.29 -3.39 1.77 1.05 0.04 0.00 0.00 177.00 176.75 1scs h GLU 87 N -2.38 0.00 -5.29 4.56 4.11 -1.94 -3.41 114.58 110.23 1scs h GLU 87 Ca -0.58 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.18 1scs h GLU 87 Cb 1.32 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.27 1scs h GLU 87 CO 0.50 0.10 -0.82 -1.58 0.07 0.00 0.00 179.01 177.28 1scs s TRP 88 N -3.43 2.70 0.23 2.06 0.52 -1.26 -0.79 118.94 118.97 1scs s TRP 88 Ca 0.03 -0.94 0.00 0.00 0.02 0.00 0.00 56.10 55.22 1scs s TRP 88 Cb 0.08 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1scs s TRP 88 CO 0.63 -0.38 0.12 0.14 0.02 0.00 0.00 176.95 177.47 1scs s VAL 89 N 0.49 0.27 0.10 4.03 -7.23 -0.33 -4.27 120.40 113.47 1scs s VAL 89 Ca -0.12 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.15 1scs s VAL 89 Cb -0.16 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1scs s VAL 89 CO 0.05 0.00 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.46 1scs s ARG 90 N -4.08 1.58 0.08 4.82 0.52 -0.28 -0.20 118.95 121.39 1scs s ARG 90 Ca 0.38 -1.25 0.07 0.00 -0.52 0.00 0.00 55.73 54.41 1scs s ARG 90 Cb 0.07 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1scs s ARG 90 CO 0.13 0.47 -0.15 0.14 0.02 0.00 0.00 175.30 175.91 1scs s VAL 91 N -1.01 3.01 0.16 3.52 -7.23 -1.26 -1.36 120.40 116.23 1scs s VAL 91 Ca 0.14 -1.27 -0.08 0.00 -1.81 0.00 0.00 61.98 58.97 1scs s VAL 91 Cb -0.10 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.53 1scs s VAL 91 CO 0.06 0.22 0.39 0.61 -0.31 0.00 0.00 175.10 176.07 1scs n GLY 92 N 1.12 1.40 3.15 2.32 0.00 -0.11 -1.73 105.19 111.35 1scs n GLY 92 Ca -0.15 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 1scs n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1scs s LEU 93 N 0.00 2.03 0.07 0.99 1.43 -0.31 -0.88 118.68 122.01 1scs s LEU 93 Ca 0.08 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1scs s LEU 93 Cb -0.02 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 1scs s LEU 93 CO 0.05 0.20 -0.07 -0.55 0.23 0.00 0.00 176.35 176.21 1scs s SER 94 N -0.39 1.00 0.06 2.29 0.15 0.74 -1.17 113.70 116.38 1scs s SER 94 Ca 0.06 -0.79 -0.27 0.00 0.70 0.00 0.00 55.95 55.66 1scs s SER 94 Cb -0.06 0.07 0.07 0.00 -1.71 0.00 0.00 66.02 64.39 1scs s SER 94 CO -0.01 -0.34 0.67 0.00 1.20 0.00 0.00 173.24 174.76 1scs s ALA 95 N -2.56 -1.69 0.22 5.45 0.00 -0.76 -0.14 121.76 122.28 1scs s ALA 95 Ca 0.01 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 1scs s ALA 95 Cb -0.02 0.46 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 1scs s ALA 95 CO -0.02 -0.60 0.42 -1.54 0.00 0.00 0.00 175.76 174.02 1scs s SER 96 N -2.08 -0.07 0.07 0.00 1.04 -1.09 -2.13 113.70 109.45 1scs s SER 96 Ca -0.03 -0.91 -0.00 0.00 0.48 0.00 0.00 55.95 55.48 1scs s SER 96 Cb -0.01 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1scs s SER 96 CO -0.04 -1.07 -0.03 0.42 0.98 0.00 0.00 173.24 173.51 1scs s THR 97 N -4.01 0.35 0.00 2.02 -4.23 -0.25 -1.14 115.64 108.38 1scs s THR 97 Ca 0.22 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1scs s THR 97 Cb 0.01 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1scs s THR 97 CO 0.07 -0.90 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 1scs n GLY 98 N 0.04 3.92 0.16 3.99 0.00 -1.26 -0.73 105.19 111.30 1scs n GLY 98 Ca -0.12 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1scs n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1scs h LEU 99 N 0.00 0.38-10.17 0.99 3.38 -1.97 0.54 115.31 108.46 1scs h LEU 99 Ca 0.00 -0.27 -0.49 0.00 0.09 0.00 0.00 57.88 57.21 1scs h LEU 99 Cb 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1scs h LEU 99 CO 0.00 1.02 -0.28 -0.31 0.09 0.00 0.00 178.44 178.96 1scs s TYR 100 N -3.47 3.48 0.27 1.13 2.02 -1.26 -4.90 117.35 114.62 1scs s TYR 100 Ca -0.04 0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.87 1scs s TYR 100 Cb 0.10 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1scs s TYR 100 CO 0.83 0.26 0.40 -1.59 -1.57 0.00 0.00 175.55 173.89 1scs s LYS 101 N -3.94 1.60 -0.01 -0.62 0.00 -1.24 -4.41 119.74 111.12 1scs s LYS 101 Ca 0.38 -1.51 -0.30 0.00 0.00 0.00 0.00 55.97 54.55 1scs s LYS 101 Cb -0.10 0.42 0.10 0.00 0.00 0.00 0.00 37.83 38.25 1scs s LYS 101 CO 0.32 -0.64 1.03 -1.83 0.00 0.00 0.00 175.35 174.23 1scs s GLU 102 N -3.72 0.74 0.32 1.78 -1.05 -1.10 -3.34 118.70 112.33 1scs s GLU 102 Ca 0.29 -0.33 -0.19 0.00 -0.15 0.00 0.00 54.97 54.59 1scs s GLU 102 Cb 0.01 0.30 -0.09 0.00 -0.44 0.00 0.00 34.13 33.91 1scs s GLU 102 CO 0.14 -0.33 0.81 0.95 0.95 0.00 0.00 175.26 177.78 1scs s THR 103 N -2.91 4.52 -0.53 1.83 -4.23 0.37 -4.69 115.64 109.99 1scs s THR 103 Ca 0.09 1.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.95 1scs s THR 103 Cb -0.00 -3.73 0.27 0.00 1.34 0.00 0.00 72.50 70.38 1scs s THR 103 CO -0.05 -0.07 0.71 0.59 -0.54 0.00 0.00 174.62 175.26 1scs n ASN 104 N -0.03 2.59 -4.73 3.99 5.03 -1.26 -3.51 115.26 117.34 1scs n ASN 104 Ca 0.03 -3.23 -0.40 0.00 0.87 0.00 0.00 54.58 51.85 1scs n ASN 104 Cb 0.52 -0.64 -0.05 0.00 -1.02 0.00 0.00 39.78 38.60 1scs n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1scs s THR 105 N -2.42 4.99 -0.18 3.41 2.01 -0.92 -1.58 115.64 120.94 1scs s THR 105 Ca 0.40 1.43 -0.03 0.00 0.31 0.00 0.00 61.69 63.80 1scs s THR 105 Cb 0.19 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1scs s THR 105 CO -0.06 0.29 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.46 1scs s ILE 106 N 0.54 3.40 -0.15 1.82 -1.09 0.39 -0.61 121.20 125.50 1scs s ILE 106 Ca 0.37 -0.51 0.18 0.00 -2.23 0.00 0.00 60.65 58.46 1scs s ILE 106 Cb -0.18 -2.50 -0.26 0.00 -1.58 0.00 0.00 42.46 37.94 1scs s ILE 106 CO 0.18 0.47 0.27 0.18 -1.23 0.00 0.00 174.94 174.81 1scs n LEU 107 N 4.17 0.14 -3.49 2.97 4.32 -0.40 -1.39 117.00 123.32 1scs n LEU 107 Ca -0.18 0.07 -0.13 0.00 -0.02 0.00 0.00 56.01 55.74 1scs n LEU 107 Cb 0.52 0.33 -0.04 0.00 -1.62 0.00 0.00 43.42 42.61 1scs n LEU 107 CO 0.30 0.35 0.35 -0.94 -1.22 0.00 0.00 177.39 176.24 1scs s SER 108 N -5.35 -0.52 -0.24 -1.43 1.04 -1.23 -4.32 113.70 101.64 1scs s SER 108 Ca -0.09 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 1scs s SER 108 Cb 0.08 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.83 1scs s SER 108 CO 0.84 -0.85 0.58 0.86 0.98 0.00 0.00 173.24 175.66 1scs s TRP 109 N -3.11 -0.89 0.08 5.02 -0.00 -0.16 -1.82 118.94 118.06 1scs s TRP 109 Ca -0.02 1.81 0.04 0.00 -0.00 0.00 0.00 56.10 57.93 1scs s TRP 109 Cb -0.00 0.50 -0.03 0.00 -0.00 0.00 0.00 33.47 33.93 1scs s TRP 109 CO -0.07 -0.46 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.78 1scs s SER 110 N 1.55 1.37 -0.16 5.86 1.04 0.17 -0.30 113.70 123.24 1scs s SER 110 Ca -0.10 -0.73 -0.14 0.00 0.48 0.00 0.00 55.95 55.46 1scs s SER 110 Cb -0.06 0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.10 1scs s SER 110 CO -0.17 -0.22 0.42 0.12 0.98 0.00 0.00 173.24 174.36 1scs s PHE 111 N -2.04 -0.47 -0.03 5.02 5.36 -0.40 -1.29 117.98 124.13 1scs s PHE 111 Ca 0.01 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 1scs s PHE 111 Cb -0.05 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.82 1scs s PHE 111 CO 0.00 -0.23 0.01 0.99 -1.46 0.00 0.00 175.22 174.53 1scs s THR 112 N 0.30 0.13 -0.02 0.12 2.01 -0.28 -1.17 115.64 116.73 1scs s THR 112 Ca -0.01 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.16 1scs s THR 112 Cb -0.03 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1scs s THR 112 CO -0.00 0.13 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.31 1scs s SER 113 N 1.00 2.31 -0.00 3.53 0.15 0.15 -1.06 113.70 119.78 1scs s SER 113 Ca -0.10 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1scs s SER 113 Cb -0.13 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 1scs s SER 113 CO -0.02 0.24 -0.00 -0.54 1.20 0.00 0.00 173.24 174.12 1scs s LYS 114 N -0.44 0.04 -0.12 5.44 1.02 -0.32 -1.67 119.74 123.69 1scs s LYS 114 Ca 0.07 -0.00 -0.00 0.00 0.02 0.00 0.00 55.97 56.06 1scs s LYS 114 Cb -0.08 -0.06 0.03 0.00 -0.52 0.00 0.00 37.83 37.19 1scs s LYS 114 CO -0.01 -0.00 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.82 1scs s LEU 115 N 0.09 1.32 -0.30 3.17 1.43 -0.08 -1.02 118.68 123.29 1scs s LEU 115 Ca -0.01 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1scs s LEU 115 Cb -0.01 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.30 1scs s LEU 115 CO -0.00 -0.11 0.07 -0.54 0.23 0.00 0.00 176.35 176.00 1scs s LYS 116 N 1.66 3.00 0.67 1.70 1.02 0.08 -0.83 119.74 127.04 1scs s LYS 116 Ca 0.05 -0.91 -0.06 0.00 0.02 0.00 0.00 55.97 55.06 1scs s LYS 116 Cb -0.13 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1scs s LYS 116 CO -0.09 -0.47 0.98 -1.12 -0.92 0.00 0.00 175.35 173.73 1scs s SER 117 N 1.47 5.07 0.00 2.83 0.01 0.78 -0.21 113.70 123.65 1scs s SER 117 Ca 0.02 0.54 0.19 0.00 1.31 0.00 0.00 55.95 58.00 1scs s SER 117 Cb -0.17 -1.30 1.08 0.00 0.21 0.00 0.00 66.02 65.83 1scs s SER 117 CO 0.02 -1.42 1.56 -0.46 0.41 0.00 0.00 173.24 173.34 1scs n ASN 118 N -2.81 0.00 -4.77 2.44 2.04 -0.48 -4.53 115.26 107.15 1scs n ASN 118 Ca 0.07 -0.37 -0.38 0.00 -0.44 0.00 0.00 54.58 53.46 1scs n ASN 118 Cb 0.59 -0.11 -0.05 0.00 -2.53 0.00 0.00 39.78 37.68 1scs n ASN 118 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1scs s SER 119 N -2.22 7.22 0.18 0.53 0.01 -1.26 -4.93 113.70 113.24 1scs s SER 119 Ca 0.25 1.96 -0.32 0.00 1.31 0.00 0.00 55.95 59.14 1scs s SER 119 Cb 0.13 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.65 1scs s SER 119 CO 0.25 -0.15 1.71 1.07 0.41 0.00 0.00 173.24 176.52 1scs n THR 120 N 0.61 0.07 -1.00 1.44 5.66 -1.26 -2.11 114.28 117.67 1scs n THR 120 Ca 0.02 -0.01 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1scs n THR 120 Cb 0.49 -1.91 -0.00 0.00 -1.55 0.00 0.00 70.33 67.36 1scs n THR 120 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1scs n HIS 121 N 4.15 0.00 -2.71 1.09 8.25 -1.26 -4.99 115.22 119.75 1scs n HIS 121 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 1scs n HIS 121 Cb 0.34 -0.86 -0.03 0.00 1.12 0.00 0.00 29.99 30.55 1scs n HIS 121 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1scs s GLU 122 N -0.88 3.20 -0.07 -0.41 2.56 -0.90 -4.97 118.70 117.23 1scs s GLU 122 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 54.97 54.36 1scs s GLU 122 Cb 0.00 -4.32 0.01 0.00 2.00 0.00 0.00 34.13 31.82 1scs s GLU 122 CO 0.00 -1.99 -0.16 0.99 -0.56 0.00 0.00 175.26 173.54 1scs s THR 123 N 4.78 1.42 -0.14 -1.70 2.01 -1.26 -0.16 115.64 120.60 1scs s THR 123 Ca 0.30 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 1scs s THR 123 Cb -0.11 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1scs s THR 123 CO 0.10 0.42 -0.10 0.20 -0.69 0.00 0.00 174.62 174.54 1scs s ASN 124 N 0.50 4.24 0.03 3.53 -0.87 -0.01 -4.98 114.94 117.38 1scs s ASN 124 Ca -0.15 -0.27 -0.02 0.00 -1.57 0.00 0.00 52.86 50.85 1scs s ASN 124 Cb -0.16 -1.66 -0.02 0.00 -0.02 0.00 0.00 41.25 39.40 1scs s ASN 124 CO 0.05 0.17 0.02 0.00 -2.57 0.00 0.00 177.10 174.76 1scs s ALA 125 N 0.34 0.09 -0.02 0.60 0.00 -1.26 -0.91 121.76 120.60 1scs s ALA 125 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1scs s ALA 125 Cb -0.15 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1scs s ALA 125 CO 0.05 -0.23 0.00 -1.17 0.00 0.00 0.00 175.76 174.41 1scs s LEU 126 N -1.84 1.28 -0.06 0.00 2.96 -0.67 -5.00 118.68 115.35 1scs s LEU 126 Ca -0.10 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1scs s LEU 126 Cb -0.05 -0.18 0.03 0.00 0.50 0.00 0.00 46.19 46.49 1scs s LEU 126 CO -0.03 -0.08 0.15 -2.28 -1.32 0.00 0.00 176.35 172.79 1scs s HIS 127 N 0.86 -0.18 0.04 5.38 5.65 -1.26 -0.68 115.29 125.11 1scs s HIS 127 Ca -0.08 0.47 0.00 0.00 0.25 0.00 0.00 55.06 55.70 1scs s HIS 127 Cb -0.12 -0.02 -0.03 0.00 -1.18 0.00 0.00 32.58 31.24 1scs s HIS 127 CO -0.02 -0.14 -0.04 -0.59 -0.65 0.00 0.00 174.74 173.30 1scs s PHE 128 N 0.75 0.46 -0.10 3.88 -0.12 -0.32 -4.99 117.98 117.55 1scs s PHE 128 Ca -0.06 -0.67 -0.05 0.00 -0.05 0.00 0.00 56.93 56.11 1scs s PHE 128 Cb -0.07 -0.31 0.05 0.00 -0.63 0.00 0.00 43.02 42.05 1scs s PHE 128 CO -0.04 -0.20 0.22 1.41 -0.05 0.00 0.00 175.22 176.56 1scs s MET 129 N -2.20 0.17 -0.15 1.99 1.75 -1.26 -1.28 119.30 118.32 1scs s MET 129 Ca -0.07 0.50 0.01 0.00 -1.25 0.00 0.00 55.69 54.88 1scs s MET 129 Cb -0.05 -0.13 0.02 0.00 2.84 0.00 0.00 34.83 37.51 1scs s MET 129 CO -0.03 -0.17 -0.16 -0.06 -0.65 0.00 0.00 175.02 173.95 1scs s PHE 130 N 1.32 2.30 -0.84 4.11 0.08 0.59 -4.94 117.98 120.60 1scs s PHE 130 Ca -0.09 -1.28 0.07 0.00 0.12 0.00 0.00 56.93 55.75 1scs s PHE 130 Cb -0.11 -1.66 0.08 0.00 -0.57 0.00 0.00 43.02 40.77 1scs s PHE 130 CO -0.08 -0.67 0.81 0.09 -0.10 0.00 0.00 175.22 175.26 1scs n ASN 131 N 4.63 1.78 -3.63 1.36 3.02 -1.26 -0.99 115.26 120.17 1scs n ASN 131 Ca -0.18 -1.43 -0.14 0.00 -0.03 0.00 0.00 54.58 52.79 1scs n ASN 131 Cb 0.50 -0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.57 1scs n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1scs s GLN 132 N -0.67 0.83 -0.06 3.52 0.74 -1.26 -4.78 119.66 117.98 1scs s GLN 132 Ca 0.10 0.88 0.05 0.00 0.05 0.00 0.00 55.36 56.44 1scs s GLN 132 Cb 0.06 0.40 -0.01 0.00 1.10 0.00 0.00 33.01 34.56 1scs s GLN 132 CO 0.09 -0.12 -0.22 -0.06 -0.55 0.00 0.00 175.29 174.43 1scs s PHE 133 N 0.19 2.50 0.33 1.67 0.40 -0.11 -5.03 117.98 117.93 1scs s PHE 133 Ca -0.01 -0.58 0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1scs s PHE 133 Cb -0.04 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 1scs s PHE 133 CO 0.02 -0.12 0.42 -1.54 0.70 0.00 0.00 175.22 174.70 1scs s SER 134 N -0.28 5.85 0.43 1.36 1.04 -1.26 -3.39 113.70 117.45 1scs s SER 134 Ca 0.00 -0.23 0.10 0.00 0.48 0.00 0.00 55.95 56.30 1scs s SER 134 Cb -0.13 -1.22 0.95 0.00 0.10 0.00 0.00 66.02 65.72 1scs s SER 134 CO 0.03 -0.39 2.04 0.11 0.98 0.00 0.00 173.24 176.01 1scs h LYS 135 N 0.99 0.45 -3.11 4.02 6.56 -1.87 -3.19 116.57 120.42 1scs h LYS 135 Ca -0.46 -0.03 -0.64 0.00 -1.06 0.00 0.00 60.65 58.46 1scs h LYS 135 Cb 1.25 -0.10 -0.40 0.00 -0.57 0.00 0.00 32.23 32.41 1scs h LYS 135 CO 0.54 0.30 -0.45 -3.47 -2.06 0.00 0.00 179.45 174.31 1scs n ASP 136 N -4.48 3.36 -4.44 0.86 2.03 -1.26 -4.74 116.55 107.88 1scs n ASP 136 Ca 0.05 -3.21 -0.44 0.00 0.52 0.00 0.00 54.79 51.71 1scs n ASP 136 Cb 0.17 -0.83 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 1scs n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1scs s GLN 137 N -1.50 3.48 0.42 -0.67 2.00 -1.21 -4.88 119.66 117.30 1scs s GLN 137 Ca 0.26 -1.59 0.29 0.00 -2.00 0.00 0.00 55.36 52.33 1scs s GLN 137 Cb -0.04 -4.75 1.33 0.00 0.80 0.00 0.00 33.01 30.35 1scs s GLN 137 CO -0.15 -1.76 1.88 0.87 -0.50 0.00 0.00 175.29 175.63 1scs h LYS 138 N 8.97 0.00 -0.56 1.67 1.57 -1.94 -2.60 116.57 123.67 1scs h LYS 138 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1scs h LYS 138 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1scs h LYS 138 CO 1.11 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.59 1scs n ASP 139 N -2.64 3.07 -4.27 0.86 5.75 -1.26 -4.86 116.55 113.20 1scs n ASP 139 Ca 0.00 -2.19 -0.25 0.00 -0.01 0.00 0.00 54.79 52.34 1scs n ASP 139 Cb 0.21 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 39.75 1scs n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1scs s LEU 140 N -1.26 2.23 -0.29 -2.12 1.43 -0.98 -1.05 118.68 116.63 1scs s LEU 140 Ca 0.33 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1scs s LEU 140 Cb 0.20 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1scs s LEU 140 CO 0.18 0.12 0.09 -0.63 0.23 0.00 0.00 176.35 176.34 1scs s ILE 141 N -0.96 4.08 -0.18 -0.59 1.01 0.63 -4.83 121.20 120.36 1scs s ILE 141 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 1scs s ILE 141 Cb -0.09 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 1scs s ILE 141 CO 0.03 0.10 0.12 -0.76 0.00 0.00 0.00 174.94 174.42 1scs s LEU 142 N 1.52 4.17 0.12 2.97 1.43 -1.26 -0.94 118.68 126.69 1scs s LEU 142 Ca 0.03 0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 1scs s LEU 142 Cb -0.17 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1scs s LEU 142 CO 0.03 0.23 -0.25 -1.10 0.23 0.00 0.00 176.35 175.49 1scs s GLN 143 N 0.07 1.31 7.61 1.70 -0.21 0.48 -4.99 119.66 125.63 1scs s GLN 143 Ca 0.09 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.19 1scs s GLN 143 Cb -0.11 -1.73 0.00 0.00 1.00 0.00 0.00 33.01 32.17 1scs s GLN 143 CO -0.00 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 1scs n GLY 144 N 0.99 2.97 0.40 3.09 0.00 -1.26 -1.17 105.19 110.21 1scs n GLY 144 Ca -0.18 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.76 1scs n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1scs n ASP 145 N 5.46 1.25 -4.73 1.61 8.00 0.45 -4.94 116.55 123.65 1scs n ASP 145 Ca 0.00 -1.46 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 1scs n ASP 145 Cb 0.00 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1scs n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1scs s ALA 146 N -1.96 3.81 0.08 2.24 0.00 -1.12 -4.29 121.76 120.52 1scs s ALA 146 Ca 0.38 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.85 1scs s ALA 146 Cb 0.20 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1scs s ALA 146 CO 0.32 -0.87 -0.09 0.95 0.00 0.00 0.00 175.76 176.08 1scs s THR 147 N 0.78 0.79 0.29 0.00 -4.23 -0.00 -4.74 115.64 108.54 1scs s THR 147 Ca 0.69 -1.55 0.11 0.00 -1.18 0.00 0.00 61.69 59.77 1scs s THR 147 Cb -0.46 -1.23 -0.05 0.00 1.34 0.00 0.00 72.50 72.10 1scs s THR 147 CO 0.36 -0.57 -0.17 0.42 -0.54 0.00 0.00 174.62 174.12 1scs s THR 148 N -2.38 2.48 0.00 3.99 -4.23 -1.26 -0.70 115.64 113.54 1scs s THR 148 Ca 0.03 -2.35 0.00 0.00 -1.18 0.00 0.00 61.69 58.19 1scs s THR 148 Cb -0.03 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1scs s THR 148 CO -0.01 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1scs n GLY 149 N -0.67 2.95 3.61 3.99 0.00 -0.60 -4.23 105.19 110.24 1scs n GLY 149 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1scs n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1scs s THR 150 N -2.89 3.76 -1.84 2.61 2.01 -1.25 -1.69 115.64 116.36 1scs s THR 150 Ca 0.00 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1scs s THR 150 Cb 0.00 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1scs s THR 150 CO 0.00 -0.51 0.00 0.47 -0.69 0.00 0.00 174.62 173.89 1scs n ASP 151 N 8.99 -5.34 -0.97 3.53 9.92 -1.26 -0.96 116.55 130.46 1scs n ASP 151 Ca 0.19 0.26 -0.12 0.00 -0.53 0.00 0.00 54.79 54.59 1scs n ASP 151 Cb 0.47 -4.45 -0.04 0.00 -0.64 0.00 0.00 41.12 36.45 1scs n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1scs n GLY 152 N -0.81 1.06 3.79 0.44 0.00 -0.68 -4.98 105.19 104.00 1scs n GLY 152 Ca -0.20 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1scs n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1scs s ASN 153 N -2.81 4.66 -0.27 1.61 0.01 -0.14 -0.93 114.94 117.07 1scs s ASN 153 Ca 0.00 -0.94 -0.07 0.00 -0.71 0.00 0.00 52.86 51.15 1scs s ASN 153 Cb 0.00 -0.54 -0.00 0.00 0.41 0.00 0.00 41.25 41.12 1scs s ASN 153 CO 0.00 -0.56 0.07 -0.22 -1.51 0.00 0.00 177.10 174.88 1scs s LEU 154 N -3.98 3.64 -0.47 0.60 2.96 -0.48 -1.56 118.68 119.39 1scs s LEU 154 Ca 0.43 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.67 1scs s LEU 154 Cb 0.01 -1.88 0.07 0.00 0.50 0.00 0.00 46.19 44.89 1scs s LEU 154 CO 0.24 -0.13 0.39 -1.61 -1.32 0.00 0.00 176.35 173.93 1scs s GLU 155 N 1.54 2.98 0.27 1.98 0.41 0.12 -0.47 118.70 125.54 1scs s GLU 155 Ca 0.04 -1.33 0.03 0.00 -0.41 0.00 0.00 54.97 53.31 1scs s GLU 155 Cb -0.16 -4.12 0.38 0.00 -1.78 0.00 0.00 34.13 28.45 1scs s GLU 155 CO 0.02 -1.01 1.68 -0.07 -0.49 0.00 0.00 175.26 175.39 1scs h LEU 156 N 8.76 0.40 -9.03 1.80 3.38 -1.56 0.03 115.31 119.09 1scs h LEU 156 Ca -0.28 -0.16 -0.53 0.00 0.09 0.00 0.00 57.88 57.00 1scs h LEU 156 Cb 1.11 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.60 1scs h LEU 156 CO 0.87 0.74 -0.75 0.42 0.09 0.00 0.00 178.44 179.81 1scs s THR 157 N -4.27 2.09 0.15 0.22 -4.23 -1.26 -2.79 115.64 105.55 1scs s THR 157 Ca -0.06 -2.28 -0.33 0.00 -1.18 0.00 0.00 61.69 57.84 1scs s THR 157 Cb 0.13 -2.15 -0.13 0.00 1.34 0.00 0.00 72.50 71.70 1scs s THR 157 CO 0.79 -0.48 1.66 -1.14 -0.54 0.00 0.00 174.62 174.91 1scs n ARG 158 N -0.42 2.37 -4.25 3.99 0.63 -1.26 -4.76 116.66 112.95 1scs n ARG 158 Ca -0.07 0.86 -0.26 0.00 -0.92 0.00 0.00 57.85 57.45 1scs n ARG 158 Cb 0.60 -2.66 -0.17 0.00 0.45 0.00 0.00 32.46 30.68 1scs n ARG 158 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1scs s VAL 159 N 1.34 1.13 0.68 5.15 1.01 -1.26 -1.07 120.40 127.38 1scs s VAL 159 Ca 0.79 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1scs s VAL 159 Cb -0.62 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 1scs s VAL 159 CO 0.37 0.37 1.07 -0.94 0.00 0.00 0.00 175.10 175.98 1scs s SER 160 N 1.17 5.71 0.16 3.32 1.04 0.59 -4.88 113.70 120.81 1scs s SER 160 Ca -0.05 1.23 -0.06 0.00 0.48 0.00 0.00 55.95 57.56 1scs s SER 160 Cb -0.14 -2.12 0.24 0.00 0.10 0.00 0.00 66.02 64.10 1scs s SER 160 CO -0.03 -1.18 0.91 -1.20 0.98 0.00 0.00 173.24 172.73 1scs n SER 161 N -2.92 -0.25 -0.27 7.02 7.64 -1.26 0.20 113.62 123.78 1scs n SER 161 Ca 0.07 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1scs n SER 161 Cb 0.56 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1scs n SER 161 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1scs n ASN 162 N -4.94 0.41 0.00 6.43 2.04 -1.26 -4.81 115.26 113.13 1scs n ASN 162 Ca 0.09 -1.48 0.00 0.00 -0.44 0.00 0.00 54.58 52.74 1scs n ASN 162 Cb 0.28 -0.20 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 1scs n ASN 162 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1scs n GLY 163 N 0.18 0.53 3.69 4.83 0.00 0.13 -5.01 105.19 109.54 1scs n GLY 163 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1scs n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1scs s SER 164 N -2.20 7.27 0.35 1.61 0.01 -1.14 -4.76 113.70 114.84 1scs s SER 164 Ca 0.00 1.55 -0.28 0.00 1.31 0.00 0.00 55.95 58.52 1scs s SER 164 Cb 0.00 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 1scs s SER 164 CO 0.00 -0.38 1.41 -2.16 0.41 0.00 0.00 173.24 172.52 1scs s PRO 165 N 1.70 4.21 0.03 12.44 0.04 -1.26 -0.30 135.00 151.86 1scs s PRO 165 Ca 0.49 2.42 0.01 0.00 0.04 0.00 0.00 61.00 63.95 1scs s PRO 165 Cb -0.19 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1scs s PRO 165 CO 0.21 -0.39 0.09 -0.65 0.04 0.00 0.00 177.00 176.29 1scs s GLN 166 N -1.89 3.03 0.86 4.56 -1.52 -0.23 -4.83 119.66 119.64 1scs s GLN 166 Ca 0.52 -0.55 -0.13 0.00 -1.95 0.00 0.00 55.36 53.25 1scs s GLN 166 Cb -0.44 -2.83 0.13 0.00 -0.22 0.00 0.00 33.01 29.65 1scs s GLN 166 CO 0.58 0.62 1.23 0.20 -0.25 0.00 0.00 175.29 177.67 1scs s GLY 167 N -1.98 1.67 -1.51 3.09 0.00 -1.26 -4.37 107.32 102.96 1scs s GLY 167 Ca 0.25 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 44.08 1scs s GLY 167 CO 0.17 -0.29 0.12 1.44 0.00 0.00 0.00 173.10 174.54 1scs n SER 168 N -3.47 0.59 -4.43 1.64 7.64 0.18 -4.85 113.62 110.93 1scs n SER 168 Ca 0.11 -1.20 -0.28 0.00 1.01 0.00 0.00 58.87 58.51 1scs n SER 168 Cb 0.60 -1.99 -0.12 0.00 -1.01 0.00 0.00 64.21 61.69 1scs n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1scs s SER 169 N -4.38 3.47 -0.19 6.43 0.15 -1.15 -4.94 113.70 113.10 1scs s SER 169 Ca 0.01 -0.81 -0.15 0.00 0.70 0.00 0.00 55.95 55.70 1scs s SER 169 Cb -0.00 -0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.07 1scs s SER 169 CO 0.97 0.14 0.48 0.54 1.20 0.00 0.00 173.24 176.57 1scs s VAL 170 N -1.49 -0.01 -0.00 4.45 0.11 -1.26 -1.09 120.40 121.11 1scs s VAL 170 Ca 0.19 0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 59.03 1scs s VAL 170 Cb -0.09 -0.68 0.05 0.00 -1.53 0.00 0.00 36.38 34.13 1scs s VAL 170 CO 0.09 0.01 0.51 -0.83 -3.33 0.00 0.00 175.10 171.55 1scs s GLY 171 N 0.65 -0.40 0.02 6.54 0.00 -0.91 -0.41 107.32 112.82 1scs s GLY 171 Ca -0.03 0.76 -0.02 0.00 0.00 0.00 0.00 44.72 45.42 1scs s GLY 171 CO -0.04 0.46 0.01 0.50 0.00 0.00 0.00 173.10 174.03 1scs s ARG 172 N -1.71 0.39 -0.08 2.90 0.52 -0.32 -1.82 118.95 118.84 1scs s ARG 172 Ca -0.09 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1scs s ARG 172 Cb -0.02 0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.62 1scs s ARG 172 CO 0.04 -0.08 -0.08 0.00 0.02 0.00 0.00 175.30 175.21 1scs s ALA 173 N -1.77 1.09 0.04 2.13 0.00 -0.31 -0.39 121.76 122.55 1scs s ALA 173 Ca -0.13 -0.35 0.09 0.00 0.00 0.00 0.00 51.96 51.58 1scs s ALA 173 Cb -0.07 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1scs s ALA 173 CO -0.02 -0.15 -0.25 -0.51 0.00 0.00 0.00 175.76 174.83 1scs s LEU 174 N 1.21 2.17 0.31 0.00 1.02 -0.12 -1.16 118.68 122.11 1scs s LEU 174 Ca -0.05 -0.58 -0.29 0.00 0.02 0.00 0.00 54.13 53.23 1scs s LEU 174 Cb -0.14 -1.23 -0.10 0.00 0.02 0.00 0.00 46.19 44.74 1scs s LEU 174 CO -0.02 0.24 1.23 0.12 0.02 0.00 0.00 176.35 177.94 1scs s PHE 175 N -0.80 3.25 0.15 0.29 5.36 -0.70 -0.27 117.98 125.25 1scs s PHE 175 Ca 0.11 1.52 -0.17 0.00 -0.96 0.00 0.00 56.93 57.42 1scs s PHE 175 Cb -0.10 -3.53 0.04 0.00 -0.34 0.00 0.00 43.02 39.09 1scs s PHE 175 CO 0.02 -1.37 1.72 -0.92 -1.46 0.00 0.00 175.22 173.22 1scs h TYR 176 N 3.57 0.05 -3.58 10.12 3.20 -1.41 -3.43 116.97 125.49 1scs h TYR 176 Ca -0.48 0.02 -0.52 0.00 3.14 0.00 0.00 58.73 60.89 1scs h TYR 176 Cb 1.22 0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.52 1scs h TYR 176 CO 0.57 -0.01 0.50 0.00 -1.64 0.00 0.00 178.16 177.58 1scs s ALA 177 N -6.18 3.40 0.68 1.82 0.00 -1.26 -5.03 121.76 115.19 1scs s ALA 177 Ca -0.13 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 1scs s ALA 177 Cb 0.12 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1scs s ALA 177 CO 0.70 -0.25 1.10 -2.30 0.00 0.00 0.00 175.76 175.00 1scs n PRO 178 N 2.24 0.78 -5.00 0.00 -0.02 -1.26 -4.82 135.00 126.91 1scs n PRO 178 Ca 0.03 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 1scs n PRO 178 Cb 0.45 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 1scs n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1scs s VAL 179 N -1.62 2.68 -0.38 -1.45 1.01 0.72 -4.94 120.40 116.42 1scs s VAL 179 Ca 0.78 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1scs s VAL 179 Cb -0.37 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1scs s VAL 179 CO 0.46 0.56 0.42 -2.28 0.00 0.00 0.00 175.10 174.26 1scs s HIS 180 N -0.21 3.19 -1.72 5.22 2.46 -1.26 -1.18 115.29 121.78 1scs s HIS 180 Ca -0.01 -0.19 0.16 0.00 0.47 0.00 0.00 55.06 55.50 1scs s HIS 180 Cb -0.13 -2.81 0.06 0.00 -0.13 0.00 0.00 32.58 29.57 1scs s HIS 180 CO 0.03 -0.58 0.92 0.44 -2.47 0.00 0.00 174.74 173.08 1scs n ILE 181 N 5.36 0.00 -3.73 0.89 -5.35 0.03 -4.87 119.36 111.69 1scs n ILE 181 Ca -0.08 -0.42 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 1scs n ILE 181 Cb 0.48 1.26 -0.09 0.00 -1.74 0.00 0.00 39.64 39.55 1scs n ILE 181 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1scs s TRP 182 N -1.61 -0.31 -0.10 4.28 -0.00 -1.23 -4.88 118.94 115.09 1scs s TRP 182 Ca 0.16 0.60 -0.20 0.00 -0.00 0.00 0.00 56.10 56.67 1scs s TRP 182 Cb 0.13 0.14 0.04 0.00 -0.00 0.00 0.00 33.47 33.79 1scs s TRP 182 CO 0.30 -0.35 0.48 -2.00 -0.00 0.00 0.00 176.95 175.37 1scs s GLU 183 N -0.81 0.72 0.54 5.86 -6.30 -1.26 -4.88 118.70 112.57 1scs s GLU 183 Ca -0.09 0.29 0.20 0.00 -2.50 0.00 0.00 54.97 52.87 1scs s GLU 183 Cb -0.04 0.34 1.42 0.00 0.00 0.00 0.00 34.13 35.85 1scs s GLU 183 CO 0.04 -0.17 2.17 0.66 0.02 0.00 0.00 175.26 177.98 1scs h SER 184 N 4.30 0.00 -0.52 -1.70 4.64 -2.03 -1.96 113.55 116.28 1scs h SER 184 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1scs h SER 184 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1scs h SER 184 CO 0.31 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.74 1scs n SER 185 N -4.32 4.34 -4.72 4.97 3.41 -1.26 -4.96 113.62 111.09 1scs n SER 185 Ca -0.03 -2.51 -0.42 0.00 -0.26 0.00 0.00 58.87 55.65 1scs n SER 185 Cb 0.10 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 1scs n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1scs s ALA 186 N -1.95 3.32 -0.12 7.33 0.00 -0.74 -1.38 121.76 128.22 1scs s ALA 186 Ca 0.45 0.75 0.18 0.00 0.00 0.00 0.00 51.96 53.34 1scs s ALA 186 Cb 0.30 -3.37 -0.19 0.00 0.00 0.00 0.00 23.12 19.85 1scs s ALA 186 CO 0.20 -0.27 0.60 1.33 0.00 0.00 0.00 175.76 177.61 1scs n VAL 187 N 3.25 1.06 -3.67 0.00 0.24 0.71 -4.89 118.33 115.03 1scs n VAL 187 Ca 0.05 -0.70 -0.10 0.00 -2.04 0.00 0.00 64.34 61.56 1scs n VAL 187 Cb 0.47 -0.57 -0.09 0.00 -1.47 0.00 0.00 33.84 32.18 1scs n VAL 187 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1scs s VAL 188 N -2.91 -0.01 -0.05 3.34 0.11 -1.17 -4.86 120.40 114.85 1scs s VAL 188 Ca -0.05 0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1scs s VAL 188 Cb 0.09 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1scs s VAL 188 CO 0.83 0.02 -0.24 0.00 -3.33 0.00 0.00 175.10 172.38 1scs s ALA 189 N 1.35 2.03 0.15 1.54 0.00 -1.26 -0.74 121.76 124.83 1scs s ALA 189 Ca -0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 1scs s ALA 189 Cb -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1scs s ALA 189 CO -0.14 0.41 0.32 -1.54 0.00 0.00 0.00 175.76 174.81 1scs s SER 190 N -0.22 -0.03 0.13 0.00 1.04 -0.19 -0.31 113.70 114.13 1scs s SER 190 Ca -0.01 -0.69 -0.16 0.00 0.48 0.00 0.00 55.95 55.58 1scs s SER 190 Cb -0.12 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.47 1scs s SER 190 CO 0.02 -0.88 0.40 0.72 0.98 0.00 0.00 173.24 174.49 1scs s PHE 191 N -3.91 -0.17 -0.13 5.02 -0.12 -0.55 -1.17 117.98 116.95 1scs s PHE 191 Ca 0.11 -0.15 -0.11 0.00 -0.05 0.00 0.00 56.93 56.73 1scs s PHE 191 Cb 0.03 0.25 0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1scs s PHE 191 CO -0.04 -0.72 0.34 -1.83 -0.05 0.00 0.00 175.22 172.92 1scs s GLU 192 N -3.82 0.38 0.05 1.99 -1.05 -0.23 -1.92 118.70 114.10 1scs s GLU 192 Ca 0.04 0.51 0.04 0.00 -0.15 0.00 0.00 54.97 55.41 1scs s GLU 192 Cb 0.02 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1scs s GLU 192 CO -0.11 -0.07 -0.12 0.00 0.95 0.00 0.00 175.26 175.92 1scs s ALA 193 N 0.38 0.97 -0.06 -0.84 0.00 0.11 -1.13 121.76 121.19 1scs s ALA 193 Ca -0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 1scs s ALA 193 Cb -0.04 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1scs s ALA 193 CO -0.02 0.13 0.16 0.99 0.00 0.00 0.00 175.76 177.03 1scs s THR 194 N -1.08 -0.01 -0.02 0.00 2.01 -0.41 -0.80 115.64 115.33 1scs s THR 194 Ca -0.03 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 1scs s THR 194 Cb -0.09 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.21 1scs s THR 194 CO 0.01 0.01 0.31 0.72 -0.69 0.00 0.00 174.62 174.98 1scs s PHE 195 N 0.31 -0.18 0.01 4.92 -0.71 -0.75 -0.66 117.98 120.92 1scs s PHE 195 Ca -0.02 0.29 0.05 0.00 -1.04 0.00 0.00 56.93 56.20 1scs s PHE 195 Cb -0.03 0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.84 1scs s PHE 195 CO -0.01 -0.38 -0.12 0.95 -1.34 0.00 0.00 175.22 174.32 1scs s THR 196 N -1.25 3.26 0.11 -4.49 -4.23 -0.75 -1.19 115.64 107.09 1scs s THR 196 Ca -0.13 -0.90 -0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1scs s THR 196 Cb -0.05 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1scs s THR 196 CO 0.04 0.41 0.01 0.72 -0.54 0.00 0.00 174.62 175.26 1scs s PHE 197 N -0.92 0.81 -0.19 3.99 -0.71 -0.49 -1.28 117.98 119.19 1scs s PHE 197 Ca 0.15 -1.11 -0.04 0.00 -1.04 0.00 0.00 56.93 54.88 1scs s PHE 197 Cb -0.11 -0.49 0.07 0.00 -1.21 0.00 0.00 43.02 41.28 1scs s PHE 197 CO 0.05 -0.38 0.09 -1.17 -1.34 0.00 0.00 175.22 172.47 1scs s LEU 198 N -3.03 0.54 -0.25 -1.99 0.20 0.22 -0.78 118.68 113.58 1scs s LEU 198 Ca 0.17 -0.75 -0.08 0.00 0.69 0.00 0.00 54.13 54.17 1scs s LEU 198 Cb 0.07 -0.32 -0.03 0.00 -0.43 0.00 0.00 46.19 45.48 1scs s LEU 198 CO -0.02 -0.36 0.10 -0.63 -0.29 0.00 0.00 176.35 175.15 1scs s ILE 199 N 2.08 4.56 -0.03 6.68 1.01 -1.26 -2.18 121.20 132.07 1scs s ILE 199 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1scs s ILE 199 Cb -0.16 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.18 1scs s ILE 199 CO -0.13 0.32 -0.05 -0.75 0.00 0.00 0.00 174.94 174.34 1scs s LYS 200 N 1.62 0.68 0.00 2.79 2.20 -1.23 -0.69 119.74 125.11 1scs s LYS 200 Ca 0.06 -0.14 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1scs s LYS 200 Cb -0.15 -0.69 -0.01 0.00 -1.51 0.00 0.00 37.83 35.47 1scs s LYS 200 CO 0.05 0.00 -0.08 0.45 -0.36 0.00 0.00 175.35 175.42 1scs s SER 201 N 0.51 0.92 0.58 1.43 0.15 -1.26 -0.48 113.70 115.56 1scs s SER 201 Ca -0.06 -0.21 0.36 0.00 0.70 0.00 0.00 55.95 56.73 1scs s SER 201 Cb -0.10 -0.08 1.70 0.00 -1.71 0.00 0.00 66.02 65.83 1scs s SER 201 CO -0.00 0.05 2.11 1.55 1.20 0.00 0.00 173.24 178.15 1scs h PRO 202 N 5.68 0.00 -6.51 5.44 0.13 -1.98 -3.46 132.00 131.30 1scs h PRO 202 Ca -0.31 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.35 1scs h PRO 202 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1scs h PRO 202 CO 0.48 0.02 -0.20 -0.51 -0.23 0.00 0.00 178.00 177.56 1scs s ASP 203 N -5.58 6.29 0.48 1.44 1.01 -1.26 -5.00 116.67 114.05 1scs s ASP 203 Ca -0.01 0.43 0.29 0.00 0.71 0.00 0.00 52.55 53.98 1scs s ASP 203 Cb 0.11 -2.02 1.00 0.00 1.01 0.00 0.00 42.92 43.02 1scs s ASP 203 CO 0.51 -0.30 1.84 0.28 0.21 0.00 0.00 175.17 177.72 1scs h SER 204 N 0.76 0.00 -3.75 0.27 0.02 -1.97 -3.35 113.55 105.52 1scs h SER 204 Ca -0.50 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.83 1scs h SER 204 Cb 1.22 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.35 1scs h SER 204 CO 0.61 0.00 -0.66 -1.00 -1.14 0.00 0.00 176.83 174.64 1scs s HIS 205 N -3.48 2.83 0.75 3.45 3.76 -1.26 -5.10 115.29 116.24 1scs s HIS 205 Ca 0.04 -2.96 -0.12 0.00 -0.15 0.00 0.00 55.06 51.86 1scs s HIS 205 Cb 0.08 -2.44 0.05 0.00 1.11 0.00 0.00 32.58 31.37 1scs s HIS 205 CO 0.57 -0.71 1.10 -1.25 -0.85 0.00 0.00 174.74 173.60 1scs s PRO 206 N -0.36 2.34 0.02 8.40 0.04 -1.26 -4.40 135.00 139.78 1scs s PRO 206 Ca 0.20 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1scs s PRO 206 Cb -0.19 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1scs s PRO 206 CO -0.05 -1.59 0.71 0.00 0.04 0.00 0.00 177.00 176.11 1scs s ALA 207 N -2.72 -1.73 -0.02 8.56 0.00 -1.21 -4.09 121.76 120.54 1scs s ALA 207 Ca 0.63 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.65 1scs s ALA 207 Cb -0.19 0.30 -0.08 0.00 0.00 0.00 0.00 23.12 23.16 1scs s ALA 207 CO 0.52 -0.55 0.09 -0.25 0.00 0.00 0.00 175.76 175.57 1scs n ASP 208 N 0.26 3.71 0.00 0.00 8.00 -0.29 -2.71 116.55 125.52 1scs n ASP 208 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1scs n ASP 208 Cb 0.61 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.77 1scs n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1scs n GLY 209 N 2.34 1.95 3.26 0.44 0.00 -1.22 -1.77 105.19 110.18 1scs n GLY 209 Ca -0.03 -1.80 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 1scs n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1scs s ILE 210 N -1.51 1.66 -0.02 -0.61 1.01 -0.64 -2.65 121.20 118.43 1scs s ILE 210 Ca 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 1scs s ILE 210 Cb 0.00 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1scs s ILE 210 CO 0.00 0.04 0.07 0.00 0.00 0.00 0.00 174.94 175.05 1scs s ALA 211 N -1.01 -0.16 -0.14 9.38 0.00 0.80 -0.12 121.76 130.51 1scs s ALA 211 Ca 0.06 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 1scs s ALA 211 Cb -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1scs s ALA 211 CO 0.03 -0.07 0.32 0.12 0.00 0.00 0.00 175.76 176.16 1scs s PHE 212 N -0.29 3.49 0.09 0.00 5.36 -0.45 -0.19 117.98 125.99 1scs s PHE 212 Ca -0.03 0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 56.58 1scs s PHE 212 Cb -0.02 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.27 1scs s PHE 212 CO 0.00 0.27 0.01 -0.59 -1.46 0.00 0.00 175.22 173.45 1scs s PHE 213 N 0.33 0.71 -0.04 10.12 -0.71 -0.06 -0.65 117.98 127.67 1scs s PHE 213 Ca 0.18 -1.14 0.03 0.00 -1.04 0.00 0.00 56.93 54.96 1scs s PHE 213 Cb -0.13 -0.44 0.00 0.00 -1.21 0.00 0.00 43.02 41.23 1scs s PHE 213 CO 0.05 -0.43 -0.14 0.42 -1.34 0.00 0.00 175.22 173.78 1scs s ILE 214 N -3.96 1.16 0.33 -4.49 1.01 -0.01 -0.94 121.20 114.31 1scs s ILE 214 Ca 0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1scs s ILE 214 Cb 0.08 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 1scs s ILE 214 CO -0.04 0.35 0.43 -0.94 0.00 0.00 0.00 174.94 174.74 1scs s SER 215 N 0.19 0.93 0.62 3.58 1.04 -0.47 -1.88 113.70 117.71 1scs s SER 215 Ca -0.05 -1.49 -0.18 0.00 0.48 0.00 0.00 55.95 54.71 1scs s SER 215 Cb -0.11 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1scs s SER 215 CO 0.02 -1.23 1.24 0.54 0.98 0.00 0.00 173.24 174.79 1scs s ASN 216 N -3.24 4.94 0.51 7.02 4.22 -1.20 -1.12 114.94 126.07 1scs s ASN 216 Ca 0.32 2.48 0.24 0.00 -2.14 0.00 0.00 52.86 53.76 1scs s ASN 216 Cb 0.00 -2.61 1.32 0.00 1.28 0.00 0.00 41.25 41.25 1scs s ASN 216 CO 0.20 -1.77 1.96 0.16 -2.04 0.00 0.00 177.10 175.62 1scs h ILE 217 N 0.74 0.73 -0.48 0.54 3.07 -1.85 -2.01 117.51 118.25 1scs h ILE 217 Ca -0.51 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1scs h ILE 217 Cb 1.31 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 1scs h ILE 217 CO 0.54 0.02 0.00 -0.90 -1.05 0.00 0.00 178.15 176.76 1scs n ASP 218 N -4.39 4.97 -4.78 2.16 5.75 -1.26 -4.79 116.55 114.20 1scs n ASP 218 Ca 0.12 -2.78 -0.41 0.00 -0.01 0.00 0.00 54.79 51.71 1scs n ASP 218 Cb 0.63 -0.66 -0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1scs n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1scs s SER 219 N -0.65 6.31 0.17 -1.12 0.15 -0.75 -5.03 113.70 112.77 1scs s SER 219 Ca 0.46 3.06 0.02 0.00 0.70 0.00 0.00 55.95 60.19 1scs s SER 219 Cb 0.35 -2.67 -0.05 0.00 -1.71 0.00 0.00 66.02 61.94 1scs s SER 219 CO 0.13 -0.90 -0.02 -0.94 1.20 0.00 0.00 173.24 172.71 1scs s SER 220 N -0.14 1.38 0.10 5.45 1.04 -1.26 -5.08 113.70 115.18 1scs s SER 220 Ca 0.53 -1.13 -0.31 0.00 0.48 0.00 0.00 55.95 55.52 1scs s SER 220 Cb -0.47 0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.64 1scs s SER 220 CO 0.63 -0.51 1.66 -0.63 0.98 0.00 0.00 173.24 175.37 1scs s ILE 221 N -3.57 2.87 0.42 -1.02 1.01 -1.26 -4.96 121.20 114.69 1scs s ILE 221 Ca 0.22 0.41 -0.26 0.00 0.00 0.00 0.00 60.65 61.02 1scs s ILE 221 Cb 0.05 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 1scs s ILE 221 CO 0.03 0.01 1.39 -2.84 0.00 0.00 0.00 174.94 173.53 1scs s PRO 222 N 2.33 3.87 0.26 2.79 0.02 -1.26 -4.94 135.00 138.06 1scs s PRO 222 Ca 0.74 2.35 -0.31 0.00 0.02 0.00 0.00 61.00 63.80 1scs s PRO 222 Cb -0.42 -2.75 -0.11 0.00 0.02 0.00 0.00 34.50 31.24 1scs s PRO 222 CO 0.33 -0.64 1.60 -1.12 -0.33 0.00 0.00 177.00 176.84 1scs s SER 223 N -0.53 6.42 -0.92 2.53 0.01 -1.26 -2.52 113.70 117.43 1scs s SER 223 Ca 0.58 2.88 0.00 0.00 1.31 0.00 0.00 55.95 60.71 1scs s SER 223 Cb -0.42 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.19 1scs s SER 223 CO 0.55 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1scs n GLY 224 N 2.69 0.24 2.06 3.44 0.00 -1.26 -4.82 105.19 107.53 1scs n GLY 224 Ca 0.10 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1scs n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1scs n SER 225 N 0.13 4.25 -3.91 1.61 3.41 -1.05 -4.91 113.62 113.15 1scs n SER 225 Ca -0.12 -3.33 -0.30 0.00 -0.26 0.00 0.00 58.87 54.87 1scs n SER 225 Cb 0.53 -0.78 0.22 0.00 -0.26 0.00 0.00 64.21 63.93 1scs n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1scs s THR 226 N -2.98 1.74 0.00 6.66 -4.23 -1.26 -0.11 115.64 115.47 1scs s THR 226 Ca 0.53 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1scs s THR 226 Cb 0.43 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1scs s THR 226 CO 0.12 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1scs n GLY 227 N -2.03 3.26 0.23 3.99 0.00 0.09 -2.92 105.19 107.81 1scs n GLY 227 Ca 0.14 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.08 1scs n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1scs h ARG 228 N 0.00 0.00 -0.04 1.61 0.11 -1.89 -2.46 114.38 111.71 1scs h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1scs h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1scs h ARG 228 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1scs n LEU 229 N -2.55 1.24 -1.42 0.08 4.77 -1.15 -4.94 117.00 113.02 1scs n LEU 229 Ca -0.02 -0.44 -0.14 0.00 -0.03 0.00 0.00 56.01 55.38 1scs n LEU 229 Cb 0.07 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1scs n LEU 229 CO 0.13 0.22 -0.14 0.18 -1.33 0.00 0.00 177.39 176.45 1scs n LEU 230 N -0.02 -1.05 -0.38 2.23 4.77 -0.93 -1.50 117.00 120.12 1scs n LEU 230 Ca 0.19 0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 56.48 1scs n LEU 230 Cb 0.30 -2.14 -0.02 0.00 -2.33 0.00 0.00 43.42 39.23 1scs n LEU 230 CO 0.16 -0.75 -0.05 0.61 -1.33 0.00 0.00 177.39 176.03 1scs n GLY 231 N -0.27 0.71 0.03 -0.72 0.00 0.84 -3.85 105.19 101.93 1scs n GLY 231 Ca -0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 1scs n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1scs n LEU 232 N -0.56 1.23 -4.42 0.99 4.77 -0.57 -4.40 117.00 114.04 1scs n LEU 232 Ca -0.05 -0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 1scs n LEU 232 Cb 0.26 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1scs n LEU 232 CO 0.07 0.32 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.58 1scs s PHE 233 N -2.12 2.48 -0.23 -1.77 0.08 -1.09 -4.78 117.98 110.55 1scs s PHE 233 Ca -0.05 -0.31 0.22 0.00 0.12 0.00 0.00 56.93 56.91 1scs s PHE 233 Cb 0.02 -1.44 0.42 0.00 -0.57 0.00 0.00 43.02 41.45 1scs s PHE 233 CO 0.18 0.22 1.62 -1.00 -0.10 0.00 0.00 175.22 176.13 1scs h PRO 234 N 4.61 0.00 -3.67 0.24 0.13 -1.91 -3.41 132.00 127.99 1scs h PRO 234 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 1scs h PRO 234 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1scs h PRO 234 CO 0.46 0.19 -0.02 0.16 -0.23 0.00 0.00 178.00 178.56 1scs s ASP 235 N -6.24 0.49 -0.41 1.44 1.47 -1.26 -4.86 116.67 107.29 1scs s ASP 235 Ca 0.05 -1.30 0.04 0.00 1.18 0.00 0.00 52.55 52.52 1scs s ASP 235 Cb 0.07 0.72 0.63 0.00 -0.34 0.00 0.00 42.92 44.00 1scs s ASP 235 CO 0.68 -1.42 1.85 0.00 0.68 0.00 0.00 175.17 176.96 1scs n ALA 236 N -0.53 5.32 1.82 2.11 0.00 -1.26 -4.70 120.51 123.27 1scs n ALA 236 Ca -0.03 -2.66 0.15 0.00 0.00 0.00 0.00 53.44 50.91 1scs n ALA 236 Cb 0.61 -1.41 0.80 0.00 0.00 0.00 0.00 19.45 19.45 1scs n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59