#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1red s ILE 3 N 0.00 0.96 0.62 12.58 -4.36 -0.79 -4.97 121.20 125.23 1red s ILE 3 Ca 0.00 -2.02 -0.06 0.00 -0.26 0.00 0.00 60.65 58.31 1red s ILE 3 Cb 0.00 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.36 1red s ILE 3 CO 0.00 -0.29 0.93 -1.10 0.24 0.00 0.00 174.94 174.71 1red s GLN 4 N -3.89 2.78 0.19 0.37 -0.21 -1.26 -4.53 119.66 113.12 1red s GLN 4 Ca 0.29 -0.04 -0.32 0.00 0.02 0.00 0.00 55.36 55.31 1red s GLN 4 Cb 0.06 -2.25 -0.15 0.00 1.00 0.00 0.00 33.01 31.67 1red s GLN 4 CO 0.09 -0.81 1.19 -2.30 -2.12 0.00 0.00 175.29 171.34 1red n PRO 5 N -2.66 1.30 -3.32 2.91 -0.02 -1.26 -4.92 135.00 127.03 1red n PRO 5 Ca 0.05 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1red n PRO 5 Cb 0.58 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1red n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1red n GLY 6 N 2.00 -1.59 3.20 -1.23 0.00 0.19 -4.98 105.19 102.77 1red n GLY 6 Ca 0.14 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1red n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1red s THR 7 N -2.24 0.41 -5.00 2.61 -4.23 -1.26 -0.56 115.64 105.37 1red s THR 7 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1red s THR 7 Cb 0.00 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1red s THR 7 CO 0.00 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1red n GLY 8 N -0.18 -0.51 3.28 3.99 0.00 -0.96 -4.99 105.19 105.82 1red n GLY 8 Ca -0.06 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1red n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1red s TYR 9 N -3.00 2.43 -0.07 1.61 2.02 -1.26 -0.29 117.35 118.79 1red s TYR 9 Ca 0.00 -0.66 -0.02 0.00 -0.37 0.00 0.00 57.07 56.02 1red s TYR 9 Cb 0.00 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 1red s TYR 9 CO 0.00 -0.18 0.02 1.21 -1.57 0.00 0.00 175.55 175.03 1red s ASN 10 N -0.25 1.49 -1.29 2.29 3.84 0.99 -4.85 114.94 117.15 1red s ASN 10 Ca -0.01 -0.05 -0.02 0.00 0.21 0.00 0.00 52.86 52.99 1red s ASN 10 Cb -0.13 -0.35 0.01 0.00 -0.55 0.00 0.00 41.25 40.23 1red s ASN 10 CO 0.03 -0.21 0.13 0.59 -2.79 0.00 0.00 177.10 174.85 1red n ASN 11 N 5.19 -4.53 0.00 -4.21 3.02 -1.26 -1.54 115.26 111.93 1red n ASN 11 Ca -0.06 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1red n ASN 11 Cb 0.50 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 1red n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1red n GLY 12 N -0.97 0.59 3.33 7.41 0.00 -1.26 -4.55 105.19 109.74 1red n GLY 12 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1red n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1red s TYR 13 N -2.09 2.26 0.39 1.61 1.51 -0.59 -5.06 117.35 115.38 1red s TYR 13 Ca 0.00 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 1red s TYR 13 Cb 0.00 -1.36 -0.09 0.00 -0.11 0.00 0.00 41.96 40.40 1red s TYR 13 CO 0.00 0.11 1.12 0.12 -1.11 0.00 0.00 175.55 175.80 1red s PHE 14 N -0.79 3.17 0.10 2.71 5.36 -0.72 -0.01 117.98 127.80 1red s PHE 14 Ca 0.11 1.60 0.02 0.00 -0.96 0.00 0.00 56.93 57.70 1red s PHE 14 Cb -0.10 -3.30 -0.04 0.00 -0.34 0.00 0.00 43.02 39.24 1red s PHE 14 CO 0.02 -1.04 -0.07 1.52 -1.46 0.00 0.00 175.22 174.18 1red s TYR 15 N -1.47 0.94 -0.16 10.12 -0.85 0.60 -0.18 117.35 126.36 1red s TYR 15 Ca 0.56 -0.84 -0.08 0.00 -0.52 0.00 0.00 57.07 56.19 1red s TYR 15 Cb -0.28 -0.53 0.06 0.00 0.38 0.00 0.00 41.96 41.59 1red s TYR 15 CO 0.35 -0.10 0.37 0.45 -1.52 0.00 0.00 175.55 175.11 1red s SER 16 N -2.91 -0.39 -0.06 -0.18 0.15 -0.75 -2.27 113.70 107.30 1red s SER 16 Ca 0.10 0.82 -0.00 0.00 0.70 0.00 0.00 55.95 57.57 1red s SER 16 Cb 0.03 0.78 0.03 0.00 -1.71 0.00 0.00 66.02 65.14 1red s SER 16 CO -0.03 -0.20 -0.02 -0.47 1.20 0.00 0.00 173.24 173.72 1red s TYR 17 N 1.60 0.72 0.02 3.44 5.04 0.27 -1.67 117.35 126.77 1red s TYR 17 Ca -0.08 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 1red s TYR 17 Cb -0.09 -0.74 -0.02 0.00 0.35 0.00 0.00 41.96 41.46 1red s TYR 17 CO -0.12 -0.27 -0.04 -0.46 -1.34 0.00 0.00 175.55 173.33 1red s TRP 18 N 1.46 0.30 0.05 4.97 -0.00 0.28 -0.63 118.94 125.37 1red s TRP 18 Ca -0.03 -0.44 -0.14 0.00 -0.00 0.00 0.00 56.10 55.49 1red s TRP 18 Cb -0.13 -0.21 0.02 0.00 -0.00 0.00 0.00 33.47 33.16 1red s TRP 18 CO -0.03 -0.14 0.32 0.54 -0.00 0.00 0.00 176.95 177.64 1red s ASN 19 N -1.25 -0.15 0.00 5.86 2.20 -1.26 -0.97 114.94 119.37 1red s ASN 19 Ca -0.12 -0.19 0.25 0.00 -0.94 0.00 0.00 52.86 51.86 1red s ASN 19 Cb -0.08 0.37 1.41 0.00 -2.00 0.00 0.00 41.25 40.95 1red s ASN 19 CO -0.01 -0.64 1.86 -0.90 -2.94 0.00 0.00 177.10 174.47 1red n ASP 20 N 0.50 0.00 0.00 3.54 5.75 -0.58 -4.88 116.55 120.88 1red n ASP 20 Ca -0.18 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1red n ASP 20 Cb 0.60 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1red n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1red n GLY 21 N 0.68 0.76 0.24 6.12 0.00 -1.26 -4.94 105.19 106.80 1red n GLY 21 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1red n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1red h HIS 22 N 0.00 0.36 0.00 1.61 6.17 -1.91 -3.49 115.15 117.89 1red h HIS 22 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.03 1red h HIS 22 Cb 0.00 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 29.83 1red h HIS 22 CO 0.00 0.47 0.00 0.41 0.71 0.00 0.00 177.93 179.52 1red n GLY 23 N -0.76 0.02 0.32 5.26 0.00 -1.26 -4.86 105.19 103.91 1red n GLY 23 Ca -0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1red n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1red n GLY 24 N 0.16 0.92 3.20 -0.02 0.00 -1.26 -3.83 105.19 104.35 1red n GLY 24 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1red n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1red s VAL 25 N -2.00 1.51 -0.15 1.61 1.01 -1.26 -0.20 120.40 120.92 1red s VAL 25 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1red s VAL 25 Cb 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.16 1red s VAL 25 CO 0.00 0.40 -0.01 -0.89 0.00 0.00 0.00 175.10 174.60 1red s THR 26 N -0.48 0.73 -0.13 3.92 2.01 -0.01 -5.00 115.64 116.68 1red s THR 26 Ca 0.07 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1red s THR 26 Cb -0.07 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1red s THR 26 CO -0.00 0.08 -0.03 -0.47 -0.69 0.00 0.00 174.62 173.51 1red s TYR 27 N 1.80 3.06 -0.07 4.92 6.14 -1.26 -1.56 117.35 130.37 1red s TYR 27 Ca 0.02 -0.13 0.01 0.00 0.64 0.00 0.00 57.07 57.61 1red s TYR 27 Cb -0.15 -1.90 0.02 0.00 0.42 0.00 0.00 41.96 40.35 1red s TYR 27 CO -0.07 0.13 -0.06 0.99 0.64 0.00 0.00 175.55 177.18 1red s THR 28 N -0.05 0.74 -0.07 4.34 2.01 -0.14 -1.89 115.64 120.59 1red s THR 28 Ca 0.02 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 1red s THR 28 Cb -0.13 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1red s THR 28 CO 0.02 0.29 0.98 0.20 -0.69 0.00 0.00 174.62 175.43 1red s ASN 29 N 1.21 7.28 0.23 3.53 0.01 -1.26 -1.08 114.94 124.86 1red s ASN 29 Ca -0.06 1.56 0.02 0.00 -0.71 0.00 0.00 52.86 53.67 1red s ASN 29 Cb -0.14 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.99 1red s ASN 29 CO -0.02 -0.37 0.19 0.61 -1.51 0.00 0.00 177.10 176.01 1red n GLY 30 N 3.03 2.79 3.76 0.66 0.00 0.79 -4.73 105.19 111.48 1red n GLY 30 Ca 0.07 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 1red n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1red s PRO 31 N -2.97 3.27 7.48 1.61 0.04 -1.26 -4.32 135.00 138.85 1red s PRO 31 Ca 0.15 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1red s PRO 31 Cb -0.01 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1red s PRO 31 CO 0.09 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1red n GLY 32 N 0.57 3.54 1.95 0.56 0.00 -1.26 -1.44 105.19 109.11 1red n GLY 32 Ca 0.11 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1red n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1red n GLY 33 N 0.00 3.80 3.88 -0.02 0.00 -1.26 -4.63 105.19 106.96 1red n GLY 33 Ca 0.00 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1red n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1red s GLN 34 N -2.69 3.68 0.01 1.61 0.74 -0.52 -0.67 119.66 121.82 1red s GLN 34 Ca 0.47 0.06 -0.12 0.00 0.05 0.00 0.00 55.36 55.82 1red s GLN 34 Cb 0.39 -3.02 0.01 0.00 1.10 0.00 0.00 33.01 31.50 1red s GLN 34 CO 0.10 0.58 0.25 -0.59 -0.55 0.00 0.00 175.29 175.09 1red s PHE 35 N -1.38 -0.07 0.01 1.67 -0.71 -0.66 -0.15 117.98 116.69 1red s PHE 35 Ca 0.32 0.00 0.04 0.00 -1.04 0.00 0.00 56.93 56.25 1red s PHE 35 Cb -0.14 0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.70 1red s PHE 35 CO 0.18 -0.41 -0.14 -1.12 -1.34 0.00 0.00 175.22 172.40 1red s SER 36 N -1.68 1.60 -0.06 1.98 0.01 -0.24 -1.87 113.70 113.45 1red s SER 36 Ca -0.10 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1red s SER 36 Cb -0.04 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1red s SER 36 CO 0.00 0.12 -0.06 -0.69 0.41 0.00 0.00 173.24 173.02 1red s VAL 37 N -0.50 0.68 -0.11 3.43 1.01 -0.49 -0.96 120.40 123.46 1red s VAL 37 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1red s VAL 37 Cb -0.06 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1red s VAL 37 CO 0.00 0.27 -0.09 0.20 0.00 0.00 0.00 175.10 175.48 1red s ASN 38 N 1.11 2.14 0.07 3.32 -0.87 -0.60 -0.72 114.94 119.39 1red s ASN 38 Ca -0.08 -0.32 0.03 0.00 -1.57 0.00 0.00 52.86 50.92 1red s ASN 38 Cb -0.14 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.25 40.18 1red s ASN 38 CO -0.01 -0.08 -0.09 -1.66 -2.57 0.00 0.00 177.10 172.69 1red s TRP 39 N 1.46 0.90 -0.20 2.20 -2.14 -0.40 -0.83 118.94 119.93 1red s TRP 39 Ca 0.01 -0.62 -0.04 0.00 2.66 0.00 0.00 56.10 58.10 1red s TRP 39 Cb -0.13 -0.51 0.10 0.00 -3.10 0.00 0.00 33.47 29.83 1red s TRP 39 CO -0.06 -0.05 0.33 0.45 -2.66 0.00 0.00 176.95 174.96 1red s SER 40 N -2.15 0.37 -1.27 -2.66 0.15 0.72 -1.23 113.70 107.63 1red s SER 40 Ca -0.00 0.38 -0.04 0.00 0.70 0.00 0.00 55.95 56.99 1red s SER 40 Cb -0.05 0.95 -0.01 0.00 -1.71 0.00 0.00 66.02 65.20 1red s SER 40 CO -0.00 -0.28 0.69 0.59 1.20 0.00 0.00 173.24 175.44 1red n ASN 41 N 5.36 -2.15 -2.20 5.45 5.03 -0.62 -4.55 115.26 121.58 1red n ASN 41 Ca -0.05 -0.87 -0.03 0.00 0.87 0.00 0.00 54.58 54.49 1red n ASN 41 Cb 0.50 -3.87 0.02 0.00 -1.02 0.00 0.00 39.78 35.41 1red n ASN 41 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1red n SER 42 N -2.99 0.02 0.00 6.41 3.41 -0.69 -4.68 113.62 115.09 1red n SER 42 Ca -0.25 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 1red n SER 42 Cb 0.66 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1red n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1red n GLY 43 N 4.09 3.69 3.75 5.00 0.00 -1.25 -3.81 105.19 116.66 1red n GLY 43 Ca 0.02 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 1red n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1red s ASN 44 N 0.49 6.07 0.08 1.61 3.04 -1.26 -0.68 114.94 124.30 1red s ASN 44 Ca 0.00 0.27 -0.14 0.00 0.04 0.00 0.00 52.86 53.03 1red s ASN 44 Cb 0.00 -2.01 0.02 0.00 -1.54 0.00 0.00 41.25 37.72 1red s ASN 44 CO 0.00 0.27 0.34 0.72 -3.04 0.00 0.00 177.10 175.38 1red s PHE 45 N -0.18 -0.12 -0.05 0.43 -0.12 -0.82 -1.53 117.98 115.60 1red s PHE 45 Ca 0.10 -0.13 -0.02 0.00 -0.05 0.00 0.00 56.93 56.83 1red s PHE 45 Cb -0.12 0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1red s PHE 45 CO 0.01 -0.60 0.10 0.08 -0.05 0.00 0.00 175.22 174.76 1red s VAL 46 N -3.28 -0.07 -0.13 -2.49 1.01 -0.15 -1.64 120.40 113.66 1red s VAL 46 Ca -0.00 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 1red s VAL 46 Cb 0.01 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.25 1red s VAL 46 CO -0.08 0.09 0.36 -0.83 0.00 0.00 0.00 175.10 174.64 1red s GLY 47 N 1.24 -0.27 0.00 4.51 0.00 -0.84 -0.56 107.32 111.41 1red s GLY 47 Ca -0.08 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1red s GLY 47 CO -0.05 0.84 0.00 0.61 0.00 0.00 0.00 173.10 174.51 1red n GLY 48 N 2.80 0.02 3.46 0.20 0.00 -0.67 -1.40 105.19 109.59 1red n GLY 48 Ca -0.13 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 1red n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1red s LYS 49 N -2.00 1.65 0.00 1.61 1.02 -1.13 -1.81 119.74 119.08 1red s LYS 49 Ca 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.50 1red s LYS 49 Cb 0.00 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1red s LYS 49 CO 0.00 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1red n GLY 50 N 0.13 -0.41 3.14 -3.33 0.00 0.75 -1.03 105.19 104.43 1red n GLY 50 Ca -0.11 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1red n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1red s TRP 51 N 0.00 0.87 -0.27 1.61 0.51 0.74 -1.75 118.94 120.65 1red s TRP 51 Ca 0.00 -0.70 -0.01 0.00 -2.12 0.00 0.00 56.10 53.28 1red s TRP 51 Cb 0.00 -0.50 0.14 0.00 -0.81 0.00 0.00 33.47 32.30 1red s TRP 51 CO 0.00 -0.08 0.33 -1.14 -0.51 0.00 0.00 176.95 175.55 1red s GLN 52 N -2.75 0.34 0.61 4.98 2.00 -1.26 -1.22 119.66 122.35 1red s GLN 52 Ca 0.02 0.08 -0.07 0.00 -2.00 0.00 0.00 55.36 53.40 1red s GLN 52 Cb -0.02 -0.59 0.01 0.00 0.80 0.00 0.00 33.01 33.21 1red s GLN 52 CO -0.02 -0.93 0.94 -1.25 -0.50 0.00 0.00 175.29 173.54 1red s PRO 53 N 2.44 2.88 0.74 1.67 0.04 -1.26 -5.04 135.00 136.47 1red s PRO 53 Ca 0.10 0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.17 1red s PRO 53 Cb -0.14 -2.23 0.15 0.00 0.04 0.00 0.00 34.50 32.33 1red s PRO 53 CO -0.27 -0.78 1.01 0.41 0.04 0.00 0.00 177.00 177.42 1red n GLY 54 N -2.67 0.27 3.41 0.56 0.00 0.03 -4.89 105.19 101.91 1red n GLY 54 Ca 0.05 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.90 1red n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1red s THR 55 N -3.10 0.91 -2.35 2.61 -4.23 -1.26 -4.74 115.64 103.48 1red s THR 55 Ca 0.65 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.38 1red s THR 55 Cb -0.03 -2.69 0.46 0.00 1.34 0.00 0.00 72.50 71.57 1red s THR 55 CO 0.44 0.00 1.56 0.29 -0.54 0.00 0.00 174.62 176.37 1red n LYS 56 N -0.64 1.80 -1.37 3.99 5.02 -1.26 -4.13 118.16 121.58 1red n LYS 56 Ca -0.02 -1.20 0.02 0.00 -2.02 0.00 0.00 58.31 55.09 1red n LYS 56 Cb 0.66 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1red n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1red n ASN 57 N 0.43 0.58 -4.76 4.39 0.23 -1.26 -3.73 115.26 111.14 1red n ASN 57 Ca 0.17 -1.99 -0.40 0.00 -0.53 0.00 0.00 54.58 51.83 1red n ASN 57 Cb 0.37 -0.18 -0.05 0.00 -2.08 0.00 0.00 39.78 37.83 1red n ASN 57 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1red s LYS 58 N 0.00 4.71 -0.38 -3.83 2.20 -1.26 -4.76 119.74 116.42 1red s LYS 58 Ca 0.26 1.62 -0.08 0.00 -0.36 0.00 0.00 55.97 57.41 1red s LYS 58 Cb 0.30 -3.17 0.05 0.00 -1.51 0.00 0.00 37.83 33.50 1red s LYS 58 CO -0.13 0.34 0.18 0.08 -0.36 0.00 0.00 175.35 175.46 1red s VAL 59 N -1.22 4.07 -0.16 4.02 1.01 -1.26 -2.11 120.40 124.74 1red s VAL 59 Ca 0.44 -1.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 1red s VAL 59 Cb -0.28 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1red s VAL 59 CO 0.35 -0.32 0.29 -0.63 0.00 0.00 0.00 175.10 174.79 1red s ILE 60 N 1.43 5.31 -0.08 2.22 1.01 0.17 -4.89 121.20 126.36 1red s ILE 60 Ca 0.01 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 1red s ILE 60 Cb -0.21 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1red s ILE 60 CO 0.03 0.38 -0.01 0.20 0.00 0.00 0.00 174.94 175.54 1red s ASN 61 N 0.50 5.10 -0.04 3.58 0.01 -0.42 -0.12 114.94 123.55 1red s ASN 61 Ca 0.16 0.10 -0.08 0.00 -0.71 0.00 0.00 52.86 52.33 1red s ASN 61 Cb -0.13 -1.42 0.01 0.00 0.41 0.00 0.00 41.25 40.13 1red s ASN 61 CO 0.04 0.37 0.20 0.72 -1.51 0.00 0.00 177.10 176.91 1red s PHE 62 N -0.83 -0.12 0.02 2.20 -0.71 -0.70 -1.41 117.98 116.43 1red s PHE 62 Ca 0.13 0.25 -0.18 0.00 -1.04 0.00 0.00 56.93 56.08 1red s PHE 62 Cb -0.11 0.03 0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1red s PHE 62 CO 0.02 -0.22 0.41 -1.54 -1.34 0.00 0.00 175.22 172.55 1red s SER 63 N -0.68 -0.29 0.00 1.98 1.04 -0.81 -0.97 113.70 113.97 1red s SER 63 Ca -0.08 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1red s SER 63 Cb -0.04 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1red s SER 63 CO 0.01 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1red n GLY 64 N 0.70 0.49 3.37 7.32 0.00 -1.24 -0.45 105.19 115.37 1red n GLY 64 Ca -0.19 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1red n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1red s SER 65 N -4.00 3.90 -0.21 1.61 1.04 -0.38 -4.70 113.70 110.97 1red s SER 65 Ca 0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1red s SER 65 Cb 0.00 -1.49 0.05 0.00 0.10 0.00 0.00 66.02 64.68 1red s SER 65 CO 0.00 0.19 -0.08 -0.47 0.98 0.00 0.00 173.24 173.85 1red s TYR 66 N 0.22 2.39 -0.57 5.02 5.04 -1.26 -0.88 117.35 127.30 1red s TYR 66 Ca -0.09 -1.64 0.05 0.00 -2.44 0.00 0.00 57.07 52.94 1red s TYR 66 Cb -0.15 -1.61 0.17 0.00 0.35 0.00 0.00 41.96 40.72 1red s TYR 66 CO 0.05 -0.75 0.43 0.09 -1.34 0.00 0.00 175.55 174.03 1red n ASN 67 N 4.68 1.40 -4.80 4.32 3.02 0.09 -5.02 115.26 118.96 1red n ASN 67 Ca -0.14 -2.83 -0.35 0.00 -0.03 0.00 0.00 54.58 51.24 1red n ASN 67 Cb 0.46 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 1red n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1red s PRO 68 N -0.78 4.19 -0.54 3.52 0.04 -1.26 -2.00 135.00 138.16 1red s PRO 68 Ca 0.29 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.70 1red s PRO 68 Cb -0.00 -2.36 0.24 0.00 0.04 0.00 0.00 34.50 32.42 1red s PRO 68 CO -0.18 -0.08 0.63 -1.71 0.04 0.00 0.00 177.00 175.70 1red n ASN 69 N -0.35 2.24 0.00 6.66 5.15 1.00 -4.93 115.26 125.02 1red n ASN 69 Ca 0.06 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.93 1red n ASN 69 Cb 0.52 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 1red n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1red n GLY 70 N 1.20 0.44 3.60 8.20 0.00 -1.26 -2.46 105.19 114.91 1red n GLY 70 Ca 0.26 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1red n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1red s ASN 71 N -4.00 6.42 0.03 1.61 3.04 -1.26 -1.69 114.94 119.09 1red s ASN 71 Ca 0.00 0.84 -0.27 0.00 0.04 0.00 0.00 52.86 53.47 1red s ASN 71 Cb 0.00 -2.54 0.09 0.00 -1.54 0.00 0.00 41.25 37.25 1red s ASN 71 CO 0.00 -1.36 0.75 -0.55 -3.04 0.00 0.00 177.10 172.89 1red s SER 72 N 3.61 -0.51 0.10 -4.21 0.15 -1.26 -1.34 113.70 110.24 1red s SER 72 Ca 0.59 0.20 0.03 0.00 0.70 0.00 0.00 55.95 57.48 1red s SER 72 Cb -0.13 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.63 1red s SER 72 CO 0.31 -0.72 -0.09 -0.31 1.20 0.00 0.00 173.24 173.63 1red s TYR 73 N -2.71 1.03 -0.10 3.44 2.02 -0.10 -0.59 117.35 120.34 1red s TYR 73 Ca -0.01 -0.70 -0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1red s TYR 73 Cb -0.01 -0.56 0.02 0.00 -0.40 0.00 0.00 41.96 41.01 1red s TYR 73 CO -0.05 -0.02 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.66 1red s LEU 74 N -2.56 1.22 0.18 -1.29 2.96 0.18 -1.38 118.68 117.99 1red s LEU 74 Ca 0.07 -0.28 -0.24 0.00 -0.22 0.00 0.00 54.13 53.46 1red s LEU 74 Cb -0.01 -0.80 0.06 0.00 0.50 0.00 0.00 46.19 45.94 1red s LEU 74 CO -0.01 -0.10 0.94 -0.94 -1.32 0.00 0.00 176.35 174.92 1red s SER 75 N 1.54 -0.16 -0.34 3.68 1.04 -0.47 -1.15 113.70 117.85 1red s SER 75 Ca 0.01 -0.49 -0.23 0.00 0.48 0.00 0.00 55.95 55.73 1red s SER 75 Cb -0.13 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1red s SER 75 CO -0.06 -0.99 0.77 -0.69 0.98 0.00 0.00 173.24 173.24 1red s VAL 76 N -3.20 4.78 0.01 5.02 1.01 -0.50 -0.38 120.40 127.13 1red s VAL 76 Ca 0.13 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.18 1red s VAL 76 Cb -0.02 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1red s VAL 76 CO 0.04 -0.33 -0.22 -0.47 0.00 0.00 0.00 175.10 174.11 1red s TYR 77 N 2.99 1.99 0.09 5.22 5.04 0.28 -0.71 117.35 132.25 1red s TYR 77 Ca 0.31 -0.38 -0.14 0.00 -2.44 0.00 0.00 57.07 54.42 1red s TYR 77 Cb -0.14 -1.24 0.05 0.00 0.35 0.00 0.00 41.96 40.98 1red s TYR 77 CO 0.15 0.03 0.68 0.41 -1.34 0.00 0.00 175.55 175.47 1red n GLY 78 N 2.22 0.76 3.20 8.97 0.00 -0.89 -1.09 105.19 118.36 1red n GLY 78 Ca -0.16 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 1red n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1red s TRP 79 N -3.33 1.04 0.09 1.61 0.52 -1.10 -0.95 118.94 116.83 1red s TRP 79 Ca 0.15 -0.83 0.03 0.00 0.02 0.00 0.00 56.10 55.47 1red s TRP 79 Cb -0.01 -0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 1red s TRP 79 CO 0.03 -0.05 -0.10 0.45 0.02 0.00 0.00 176.95 177.30 1red s SER 80 N -3.04 1.35 0.01 2.95 0.15 0.23 -1.40 113.70 113.96 1red s SER 80 Ca 0.13 -0.79 0.06 0.00 0.70 0.00 0.00 55.95 56.05 1red s SER 80 Cb 0.04 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1red s SER 80 CO -0.02 -0.27 -0.19 -0.13 1.20 0.00 0.00 173.24 173.83 1red s ARG 81 N -2.72 1.41 -0.78 5.44 0.52 0.28 -2.05 118.95 121.06 1red s ARG 81 Ca 0.04 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.50 1red s ARG 81 Cb -0.03 -1.41 0.00 0.00 0.52 0.00 0.00 34.95 34.03 1red s ARG 81 CO -0.00 0.38 0.65 0.09 0.02 0.00 0.00 175.30 176.43 1red n ASN 82 N 2.35 -6.33 -4.84 0.23 3.02 -1.26 -0.59 115.26 107.84 1red n ASN 82 Ca -0.16 -0.51 -0.32 0.00 -0.03 0.00 0.00 54.58 53.56 1red n ASN 82 Cb 0.54 -3.49 -0.04 0.00 -0.61 0.00 0.00 39.78 36.18 1red n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1red s PRO 83 N -3.95 3.95 -0.39 3.52 0.04 -1.26 -3.88 135.00 133.03 1red s PRO 83 Ca 0.01 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 1red s PRO 83 Cb -0.00 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1red s PRO 83 CO 0.82 -0.27 1.23 -1.17 0.04 0.00 0.00 177.00 177.65 1red s LEU 84 N -3.98 3.73 -0.01 -3.56 2.96 -1.26 -4.47 118.68 112.10 1red s LEU 84 Ca 0.60 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 1red s LEU 84 Cb -0.10 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.04 1red s LEU 84 CO 0.29 -1.19 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.46 1red s ILE 85 N 4.53 0.36 -0.18 6.68 -1.09 -0.87 -3.82 121.20 126.81 1red s ILE 85 Ca 0.52 -0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.73 1red s ILE 85 Cb -0.12 -0.32 -0.02 0.00 -1.58 0.00 0.00 42.46 40.42 1red s ILE 85 CO 0.27 0.11 -0.04 -0.70 -1.23 0.00 0.00 174.94 173.36 1red s GLU 86 N 0.02 3.56 0.14 2.79 2.12 -1.01 -0.60 118.70 125.73 1red s GLU 86 Ca 0.00 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 54.84 1red s GLU 86 Cb -0.03 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 1red s GLU 86 CO -0.00 0.08 -0.15 1.52 -0.54 0.00 0.00 175.26 176.16 1red s TYR 87 N 0.79 1.57 -0.02 5.30 -0.85 -0.12 -1.34 117.35 122.68 1red s TYR 87 Ca -0.01 -0.53 0.01 0.00 -0.52 0.00 0.00 57.07 56.01 1red s TYR 87 Cb -0.15 -0.80 0.01 0.00 0.38 0.00 0.00 41.96 41.41 1red s TYR 87 CO 0.02 0.23 -0.02 0.71 -1.52 0.00 0.00 175.55 174.96 1red s TYR 88 N -2.21 0.38 -0.58 -3.49 1.51 -0.19 -2.09 117.35 110.68 1red s TYR 88 Ca 0.13 -0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 1red s TYR 88 Cb -0.05 -0.36 0.15 0.00 -0.11 0.00 0.00 41.96 41.59 1red s TYR 88 CO 0.04 -0.09 0.34 0.42 -1.11 0.00 0.00 175.55 175.16 1red s ILE 89 N 0.54 2.56 -0.15 2.71 1.01 0.11 -0.83 121.20 127.15 1red s ILE 89 Ca -0.06 -3.59 -0.29 0.00 0.00 0.00 0.00 60.65 56.71 1red s ILE 89 Cb -0.09 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1red s ILE 89 CO -0.01 -0.89 1.35 -0.69 0.00 0.00 0.00 174.94 174.71 1red s VAL 90 N -0.65 4.12 -0.14 2.92 1.01 0.13 -1.42 120.40 126.37 1red s VAL 90 Ca 0.20 1.35 0.16 0.00 0.00 0.00 0.00 61.98 63.69 1red s VAL 90 Cb -0.18 -3.89 -0.24 0.00 0.00 0.00 0.00 36.38 32.07 1red s VAL 90 CO -0.06 -0.14 0.31 -0.62 0.00 0.00 0.00 175.10 174.59 1red n GLU 91 N 6.78 0.67 -3.50 2.72 -0.58 -0.30 -0.96 120.64 125.47 1red n GLU 91 Ca 0.15 0.11 -0.16 0.00 -0.42 0.00 0.00 57.16 56.84 1red n GLU 91 Cb 0.44 -1.63 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 1red n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1red s ASN 92 N -5.72 -0.62 0.21 1.62 3.84 -1.08 -2.32 114.94 110.87 1red s ASN 92 Ca -0.08 0.49 -0.14 0.00 0.21 0.00 0.00 52.86 53.34 1red s ASN 92 Cb 0.07 0.55 0.01 0.00 -0.55 0.00 0.00 41.25 41.33 1red s ASN 92 CO 0.83 -0.71 0.47 0.72 -2.79 0.00 0.00 177.10 175.61 1red s PHE 93 N -1.94 0.15 0.00 0.43 -0.12 -1.26 -0.65 117.98 114.59 1red s PHE 93 Ca -0.08 -0.51 0.00 0.00 -0.05 0.00 0.00 56.93 56.29 1red s PHE 93 Cb -0.00 0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.63 1red s PHE 93 CO 0.03 -0.92 0.00 0.41 -0.05 0.00 0.00 175.22 174.70 1red n GLY 94 N -0.33 0.70 0.10 1.99 0.00 0.24 -4.91 105.19 102.98 1red n GLY 94 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1red n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1red n THR 95 N 0.00 0.00 -4.28 2.61 -2.24 -0.68 -4.82 114.28 104.87 1red n THR 95 Ca 0.00 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 1red n THR 95 Cb 0.00 -0.11 -0.17 0.00 -2.10 0.00 0.00 70.33 67.96 1red n THR 95 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1red s TYR 96 N -2.53 1.19 -0.36 4.78 5.04 -1.26 -4.97 117.35 119.24 1red s TYR 96 Ca 0.27 -0.44 -0.27 0.00 -2.44 0.00 0.00 57.07 54.19 1red s TYR 96 Cb 0.20 -0.95 0.02 0.00 0.35 0.00 0.00 41.96 41.58 1red s TYR 96 CO 0.49 -0.29 1.00 1.21 -1.34 0.00 0.00 175.55 176.62 1red s ASN 97 N 1.00 6.77 0.34 4.32 3.84 -1.26 -4.81 114.94 125.14 1red s ASN 97 Ca -0.09 0.76 0.22 0.00 0.21 0.00 0.00 52.86 53.96 1red s ASN 97 Cb -0.15 -2.50 1.20 0.00 -0.55 0.00 0.00 41.25 39.25 1red s ASN 97 CO -0.00 -0.90 1.67 1.55 -2.79 0.00 0.00 177.10 176.63 1red h PRO 98 N 8.39 0.00 -0.01 0.43 0.13 -1.99 -1.38 132.00 137.58 1red h PRO 98 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1red h PRO 98 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1red h PRO 98 CO 1.01 0.00 -0.08 -1.13 -0.23 0.00 0.00 178.00 177.58 1red n SER 99 N -2.28 0.80 -4.67 1.44 3.41 -1.26 -4.86 113.62 106.19 1red n SER 99 Ca -0.01 -0.99 -0.46 0.00 -0.26 0.00 0.00 58.87 57.14 1red n SER 99 Cb 0.06 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1red n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1red n THR 100 N -0.55 0.65 -0.65 6.66 -1.04 -0.52 -1.00 114.28 117.82 1red n THR 100 Ca 0.17 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1red n THR 100 Cb 0.28 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 1red n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1red n GLY 101 N 4.48 0.79 3.96 3.41 0.00 -1.26 -5.05 105.19 111.52 1red n GLY 101 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1red n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1red s ALA 102 N -2.99 3.47 -0.30 4.61 0.00 -0.18 -5.05 121.76 121.31 1red s ALA 102 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.60 1red s ALA 102 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 1red s ALA 102 CO 0.00 -1.23 0.15 0.99 0.00 0.00 0.00 175.76 175.67 1red s THR 103 N -3.10 4.66 -0.05 0.00 2.01 -0.98 -4.93 115.64 113.25 1red s THR 103 Ca 0.61 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 1red s THR 103 Cb -0.09 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1red s THR 103 CO 0.43 0.11 1.30 -0.75 -0.69 0.00 0.00 174.62 175.01 1red s LYS 104 N 1.63 4.30 -0.11 4.92 2.20 -1.26 -1.82 119.74 129.60 1red s LYS 104 Ca 0.05 1.80 0.20 0.00 -0.36 0.00 0.00 55.97 57.66 1red s LYS 104 Cb -0.17 -3.61 -0.29 0.00 -1.51 0.00 0.00 37.83 32.26 1red s LYS 104 CO 0.07 -0.54 0.28 1.28 -0.36 0.00 0.00 175.35 176.07 1red n LEU 105 N 5.52 0.03 0.00 5.43 4.77 0.42 -4.97 117.00 128.19 1red n LEU 105 Ca 0.12 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1red n LEU 105 Cb 0.45 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1red n LEU 105 CO 0.57 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1red n GLY 106 N 1.52 -0.53 3.09 -0.72 0.00 -1.21 -5.01 105.19 102.33 1red n GLY 106 Ca -0.19 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 1red n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1red s GLU 107 N -1.30 0.60 -0.15 1.61 2.02 -1.26 -0.32 118.70 119.90 1red s GLU 107 Ca 0.00 -1.12 -0.11 0.00 0.02 0.00 0.00 54.97 53.77 1red s GLU 107 Cb 0.00 0.08 0.05 0.00 0.10 0.00 0.00 34.13 34.36 1red s GLU 107 CO 0.00 -0.07 0.37 0.54 0.02 0.00 0.00 175.26 176.12 1red s VAL 108 N -3.31 -0.01 -0.26 2.63 0.11 -0.18 -4.93 120.40 114.45 1red s VAL 108 Ca 0.03 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.99 1red s VAL 108 Cb 0.03 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1red s VAL 108 CO -0.07 0.02 0.35 -0.89 -3.33 0.00 0.00 175.10 171.18 1red s THR 109 N 0.74 5.20 -0.15 5.04 2.01 -1.26 0.19 115.64 127.41 1red s THR 109 Ca -0.04 0.53 -0.11 0.00 0.31 0.00 0.00 61.69 62.38 1red s THR 109 Cb -0.06 -3.68 0.05 0.00 0.01 0.00 0.00 72.50 68.82 1red s THR 109 CO -0.05 0.18 0.39 -0.55 -0.69 0.00 0.00 174.62 173.90 1red s SER 110 N 1.56 -0.45 -1.30 3.53 0.15 -0.18 -4.98 113.70 112.03 1red s SER 110 Ca 0.14 0.82 -0.09 0.00 0.70 0.00 0.00 55.95 57.52 1red s SER 110 Cb -0.16 0.76 -0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1red s SER 110 CO 0.10 -0.16 0.58 0.47 1.20 0.00 0.00 173.24 175.42 1red n ASP 111 N 3.59 -2.30 0.00 5.45 8.00 -1.26 -2.74 116.55 127.29 1red n ASP 111 Ca -0.19 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1red n ASP 111 Cb 0.56 -3.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.52 1red n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1red n GLY 112 N -1.86 0.49 3.49 0.44 0.00 -1.26 -4.97 105.19 101.51 1red n GLY 112 Ca -0.22 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1red n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1red s SER 113 N -2.26 -0.52 0.12 1.61 0.15 -1.11 -4.98 113.70 106.71 1red s SER 113 Ca 0.00 0.24 -0.18 0.00 0.70 0.00 0.00 55.95 56.71 1red s SER 113 Cb 0.00 0.49 -0.07 0.00 -1.71 0.00 0.00 66.02 64.73 1red s SER 113 CO 0.00 -0.71 0.58 -0.69 1.20 0.00 0.00 173.24 173.62 1red s VAL 114 N -2.59 4.76 0.03 4.45 1.01 -1.26 -1.01 120.40 125.78 1red s VAL 114 Ca -0.01 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.14 1red s VAL 114 Cb -0.01 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1red s VAL 114 CO -0.04 0.40 -0.26 -0.31 0.00 0.00 0.00 175.10 174.89 1red s TYR 115 N -1.29 2.34 -0.17 5.22 1.51 0.13 -2.04 117.35 123.04 1red s TYR 115 Ca 0.34 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.87 1red s TYR 115 Cb -0.17 -1.43 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 1red s TYR 115 CO 0.19 0.09 0.21 -0.51 -1.11 0.00 0.00 175.55 174.42 1red s ASP 116 N -1.07 6.34 -0.11 2.29 1.01 -0.66 -1.01 116.67 123.45 1red s ASP 116 Ca 0.11 0.39 -0.13 0.00 0.71 0.00 0.00 52.55 53.63 1red s ASP 116 Cb -0.10 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 1red s ASP 116 CO 0.01 0.15 0.30 -0.63 0.21 0.00 0.00 175.17 175.21 1red s ILE 117 N 0.34 5.27 0.23 0.77 1.01 0.57 -1.26 121.20 128.12 1red s ILE 117 Ca 0.13 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1red s ILE 117 Cb -0.12 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1red s ILE 117 CO 0.01 0.48 0.13 -0.31 0.00 0.00 0.00 174.94 175.25 1red s TYR 118 N -0.20 1.31 -0.11 3.97 1.51 -0.63 -0.44 117.35 122.76 1red s TYR 118 Ca 0.18 -1.34 -0.16 0.00 -1.01 0.00 0.00 57.07 54.74 1red s TYR 118 Cb -0.14 -0.67 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1red s TYR 118 CO 0.06 -0.56 0.41 0.50 -1.11 0.00 0.00 175.55 174.86 1red s ARG 119 N -4.08 0.59 0.06 -0.62 3.52 -0.75 -1.40 118.95 116.26 1red s ARG 119 Ca 0.39 0.35 -0.05 0.00 -0.13 0.00 0.00 55.73 56.29 1red s ARG 119 Cb 0.07 0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.72 1red s ARG 119 CO 0.13 -0.11 0.07 0.95 -0.81 0.00 0.00 175.30 175.53 1red s THR 120 N -0.31 0.17 -0.14 4.11 -4.23 -0.53 -2.31 115.64 112.39 1red s THR 120 Ca -0.05 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1red s THR 120 Cb -0.03 -1.23 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 1red s THR 120 CO 0.02 -0.76 -0.15 -1.58 -0.54 0.00 0.00 174.62 171.62 1red s GLN 121 N -3.41 3.28 -0.30 3.99 0.74 -1.26 0.07 119.66 122.77 1red s GLN 121 Ca 0.02 -0.73 -0.10 0.00 0.05 0.00 0.00 55.36 54.60 1red s GLN 121 Cb 0.04 -2.62 -0.03 0.00 1.10 0.00 0.00 33.01 31.50 1red s GLN 121 CO -0.08 0.10 0.17 1.03 -0.55 0.00 0.00 175.29 175.95 1red s ARG 122 N 0.62 3.61 -0.19 1.67 0.52 0.24 -4.99 118.95 120.42 1red s ARG 122 Ca -0.08 -0.54 -0.10 0.00 -0.52 0.00 0.00 55.73 54.48 1red s ARG 122 Cb -0.16 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 1red s ARG 122 CO 0.03 -0.31 0.15 0.08 0.02 0.00 0.00 175.30 175.27 1red s VAL 123 N 1.68 5.40 -1.43 3.52 1.01 -1.26 -1.19 120.40 128.12 1red s VAL 123 Ca 0.06 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1red s VAL 123 Cb -0.16 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1red s VAL 123 CO 0.08 0.44 0.50 0.59 0.00 0.00 0.00 175.10 176.70 1red n ASN 124 N 3.51 -0.82 -4.69 3.32 3.02 -0.81 -4.93 115.26 113.86 1red n ASN 124 Ca -0.16 -0.98 -0.25 0.00 -0.03 0.00 0.00 54.58 53.17 1red n ASN 124 Cb 0.52 -3.17 -0.07 0.00 -0.61 0.00 0.00 39.78 36.46 1red n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1red s GLN 125 N -6.53 2.48 0.49 3.52 -1.52 -0.01 -4.73 119.66 113.36 1red s GLN 125 Ca 0.09 -1.18 -0.23 0.00 -1.95 0.00 0.00 55.36 52.09 1red s GLN 125 Cb -0.05 -2.35 -0.07 0.00 -0.22 0.00 0.00 33.01 30.33 1red s GLN 125 CO 0.88 0.42 1.23 -1.25 -0.25 0.00 0.00 175.29 176.32 1red s PRO 126 N -3.32 3.56 0.28 2.91 0.04 -1.26 -1.04 135.00 136.18 1red s PRO 126 Ca 0.30 1.94 -0.00 0.00 0.04 0.00 0.00 61.00 63.27 1red s PRO 126 Cb -0.08 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1red s PRO 126 CO 0.20 -0.76 0.37 -1.13 0.04 0.00 0.00 177.00 175.72 1red n SER 127 N -0.65 -1.03 0.05 6.66 3.41 -0.55 -4.86 113.62 116.65 1red n SER 127 Ca 0.08 -2.59 0.06 0.00 -0.26 0.00 0.00 58.87 56.16 1red n SER 127 Cb 0.47 1.97 0.27 0.00 -0.26 0.00 0.00 64.21 66.66 1red n SER 127 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1red n ILE 128 N -0.48 1.37 -0.04 -1.33 -5.35 -1.26 -1.52 119.36 110.75 1red n ILE 128 Ca 0.01 0.45 0.01 0.00 -0.27 0.00 0.00 62.75 62.95 1red n ILE 128 Cb 0.48 -1.37 0.03 0.00 -1.74 0.00 0.00 39.64 37.04 1red n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1red n ILE 129 N -1.76 1.01 0.00 7.28 -5.35 -1.26 -5.12 119.36 114.16 1red n ILE 129 Ca 0.01 -1.01 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 1red n ILE 129 Cb 0.08 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 1red n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1red n GLY 130 N -0.35 -1.33 3.63 3.28 0.00 -0.58 -4.92 105.19 104.92 1red n GLY 130 Ca 0.02 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1red n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1red s THR 131 N 0.00 3.11 0.31 2.61 2.01 -1.26 -1.48 115.64 120.94 1red s THR 131 Ca 0.00 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 1red s THR 131 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1red s THR 131 CO 0.00 -0.05 0.49 0.00 -0.69 0.00 0.00 174.62 174.37 1red s ALA 132 N 6.27 0.36 -0.17 7.40 0.00 -0.20 -4.88 121.76 130.54 1red s ALA 132 Ca 0.91 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 1red s ALA 132 Cb -0.36 1.10 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1red s ALA 132 CO 0.37 -0.82 -0.15 0.99 0.00 0.00 0.00 175.76 176.15 1red s THR 133 N -3.32 2.61 0.22 0.00 2.01 -1.26 -0.83 115.64 115.06 1red s THR 133 Ca 0.27 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 1red s THR 133 Cb -0.01 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 1red s THR 133 CO 0.16 0.51 0.37 0.72 -0.69 0.00 0.00 174.62 175.69 1red s PHE 134 N 1.01 0.53 0.27 4.92 -0.71 -0.34 -4.96 117.98 118.70 1red s PHE 134 Ca -0.02 -0.86 -0.04 0.00 -1.04 0.00 0.00 56.93 54.98 1red s PHE 134 Cb -0.15 -0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 1red s PHE 134 CO -0.03 -0.87 0.51 0.71 -1.34 0.00 0.00 175.22 174.20 1red s TYR 135 N -4.04 3.48 -0.18 3.49 2.02 -1.25 -0.59 117.35 120.28 1red s TYR 135 Ca 0.25 0.55 0.01 0.00 -0.37 0.00 0.00 57.07 57.51 1red s TYR 135 Cb 0.02 -2.03 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1red s TYR 135 CO 0.08 0.23 -0.10 -1.14 -1.57 0.00 0.00 175.55 173.04 1red s GLN 136 N -3.51 2.00 -0.11 -0.62 0.74 0.11 -2.40 119.66 115.87 1red s GLN 136 Ca 0.42 -0.72 -0.07 0.00 0.05 0.00 0.00 55.36 55.04 1red s GLN 136 Cb -0.11 -2.27 -0.04 0.00 1.10 0.00 0.00 33.01 31.69 1red s GLN 136 CO 0.30 -0.38 0.15 0.71 -0.55 0.00 0.00 175.29 175.52 1red s TYR 137 N 1.46 3.60 0.04 1.67 1.51 -0.45 -1.45 117.35 123.73 1red s TYR 137 Ca 0.01 0.55 0.05 0.00 -1.01 0.00 0.00 57.07 56.66 1red s TYR 137 Cb -0.15 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 1red s TYR 137 CO -0.09 0.73 -0.14 -1.58 -1.11 0.00 0.00 175.55 173.36 1red s TRP 138 N -1.04 1.24 -0.23 2.71 0.52 -0.49 -1.03 118.94 120.62 1red s TRP 138 Ca 0.16 -0.35 -0.03 0.00 0.02 0.00 0.00 56.10 55.90 1red s TRP 138 Cb -0.12 -0.74 0.07 0.00 -1.15 0.00 0.00 33.47 31.53 1red s TRP 138 CO 0.05 0.03 0.07 0.45 0.02 0.00 0.00 176.95 177.57 1red s SER 139 N -1.13 3.21 -0.30 2.95 0.15 -0.01 -1.60 113.70 116.97 1red s SER 139 Ca 0.02 -1.05 -0.09 0.00 0.70 0.00 0.00 55.95 55.53 1red s SER 139 Cb -0.08 -0.60 -0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1red s SER 139 CO 0.01 -0.35 0.12 -0.69 1.20 0.00 0.00 173.24 173.53 1red s VAL 140 N 1.86 4.37 0.10 4.45 1.01 -0.39 0.17 120.40 131.97 1red s VAL 140 Ca 0.03 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 1red s VAL 140 Cb -0.17 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1red s VAL 140 CO -0.16 0.09 1.41 -0.60 0.00 0.00 0.00 175.10 175.84 1red s ARG 141 N 1.58 4.31 0.11 2.72 3.52 -0.13 -1.65 118.95 129.40 1red s ARG 141 Ca 0.04 2.08 -0.13 0.00 -0.13 0.00 0.00 55.73 57.59 1red s ARG 141 Cb -0.17 -3.31 -0.11 0.00 -1.56 0.00 0.00 34.95 29.80 1red s ARG 141 CO 0.05 -0.47 1.37 0.00 -0.81 0.00 0.00 175.30 175.43 1red h ARG 142 N 7.02 0.82 -4.15 5.12 3.08 -1.75 -3.40 114.38 121.12 1red h ARG 142 Ca -0.42 -0.55 -0.75 0.00 0.07 0.00 0.00 59.98 58.33 1red h ARG 142 Cb 1.20 0.08 -0.24 0.00 0.08 0.00 0.00 29.97 31.10 1red h ARG 142 CO 0.87 1.18 -0.18 -0.80 -1.07 0.00 0.00 179.97 179.97 1red s ASN 143 N -6.92 6.20 0.52 7.04 0.01 -1.26 -5.06 114.94 115.47 1red s ASN 143 Ca -0.11 -1.76 -0.22 0.00 -0.71 0.00 0.00 52.86 50.05 1red s ASN 143 Cb 0.09 -2.22 -0.06 0.00 0.41 0.00 0.00 41.25 39.48 1red s ASN 143 CO 0.88 -0.88 1.30 -1.00 -1.51 0.00 0.00 177.10 175.89 1red s HIS 144 N 1.70 2.47 0.19 2.20 3.76 -1.26 -4.99 115.29 119.36 1red s HIS 144 Ca 0.04 1.43 -0.19 0.00 -0.15 0.00 0.00 55.06 56.19 1red s HIS 144 Cb -0.29 -3.66 0.04 0.00 1.11 0.00 0.00 32.58 29.77 1red s HIS 144 CO 0.03 -2.45 0.54 -0.98 -0.85 0.00 0.00 174.74 171.04 1red s ARG 145 N -2.84 1.37 0.00 1.40 1.70 -0.98 -5.02 118.95 114.57 1red s ARG 145 Ca 0.69 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 1red s ARG 145 Cb -0.37 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 1red s ARG 145 CO 0.43 -0.59 0.59 0.43 -1.08 0.00 0.00 175.30 175.09 1red n SER 146 N -0.35 1.15 -3.80 -2.89 7.64 -1.26 -4.21 113.62 109.90 1red n SER 146 Ca -0.11 -1.26 -0.13 0.00 1.01 0.00 0.00 58.87 58.38 1red n SER 146 Cb 0.63 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.72 1red n SER 146 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1red s SER 147 N -0.26 -0.20 0.00 6.43 0.01 -1.26 -3.63 113.70 114.78 1red s SER 147 Ca 0.00 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1red s SER 147 Cb 0.00 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1red s SER 147 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1red n GLY 148 N 2.57 -0.96 3.01 3.44 0.00 -0.14 -4.99 105.19 108.12 1red n GLY 148 Ca -0.15 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 1red n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1red s SER 149 N -4.00 1.48 -0.23 1.61 0.15 -1.26 -1.72 113.70 109.72 1red s SER 149 Ca 0.00 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 1red s SER 149 Cb 0.00 -0.52 0.02 0.00 -1.71 0.00 0.00 66.02 63.81 1red s SER 149 CO 0.00 0.06 -0.10 -0.69 1.20 0.00 0.00 173.24 173.71 1red s VAL 150 N 0.39 2.65 -0.83 4.45 1.01 0.82 -4.80 120.40 124.10 1red s VAL 150 Ca -0.08 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 1red s VAL 150 Cb -0.12 -2.30 0.12 0.00 0.00 0.00 0.00 36.38 34.09 1red s VAL 150 CO 0.02 0.29 1.02 0.21 0.00 0.00 0.00 175.10 176.63 1red s ASN 151 N 1.31 6.50 0.43 3.32 3.84 -1.26 -0.65 114.94 128.43 1red s ASN 151 Ca 0.01 -1.83 0.16 0.00 0.21 0.00 0.00 52.86 51.42 1red s ASN 151 Cb -0.16 -2.38 1.06 0.00 -0.55 0.00 0.00 41.25 39.23 1red s ASN 151 CO -0.07 -1.10 1.91 0.71 -2.79 0.00 0.00 177.10 175.76 1red h THR 152 N 5.79 0.78 -0.93 -5.21 1.35 -1.76 -2.24 112.91 110.68 1red h THR 152 Ca 0.02 -0.14 0.11 0.00 -0.55 0.00 0.00 66.41 65.85 1red h THR 152 Cb 1.04 0.33 -0.07 0.00 -1.73 0.00 0.00 68.15 67.72 1red h THR 152 CO 1.09 0.07 0.60 0.00 -0.25 0.00 0.00 175.52 177.04 1red h ALA 153 N 1.64 1.62 -0.71 6.62 0.00 -1.77 -1.18 119.26 125.49 1red h ALA 153 Ca 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1red h ALA 153 Cb 0.90 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1red h ALA 153 CO -0.12 0.17 0.41 -0.91 0.00 0.00 0.00 179.25 178.80 1red h ASN 154 N 0.90 0.85 0.00 0.00 2.35 -1.74 -0.14 115.58 117.80 1red h ASN 154 Ca 0.45 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 56.06 1red h ASN 154 Cb 0.47 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.64 1red h ASN 154 CO -0.21 0.66 -0.34 0.45 -1.65 0.00 0.00 177.43 176.34 1red h HIS 155 N 0.98 0.34 -0.71 1.19 3.86 -1.40 -2.60 115.15 116.81 1red h HIS 155 Ca 0.25 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1red h HIS 155 Cb -0.02 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1red h HIS 155 CO 0.00 1.00 0.44 0.74 0.86 0.00 0.00 177.93 180.97 1red h PHE 156 N -0.41 0.91 -0.39 2.45 0.04 -1.08 0.89 116.94 119.35 1red h PHE 156 Ca -0.04 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 1red h PHE 156 Cb 1.09 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1red h PHE 156 CO 0.17 0.60 -0.20 -0.91 -0.60 0.00 0.00 178.31 177.37 1red h ASN 157 N 0.97 0.86 -0.57 2.17 -0.26 -1.09 -0.61 115.58 117.05 1red h ASN 157 Ca 0.26 -0.41 -0.06 0.00 -0.56 0.00 0.00 56.30 55.53 1red h ASN 157 Cb -0.06 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 36.94 1red h ASN 157 CO -0.05 1.08 0.14 0.00 -1.06 0.00 0.00 177.43 177.54 1red h ALA 158 N 0.81 0.75 -0.58 -0.83 0.00 -0.97 -1.35 119.26 117.08 1red h ALA 158 Ca 0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1red h ALA 158 Cb 0.76 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1red h ALA 158 CO 0.06 0.46 0.03 -1.49 0.00 0.00 0.00 179.25 178.30 1red h TRP 159 N 0.82 1.06 -0.62 0.00 6.55 -0.75 -2.86 115.95 120.14 1red h TRP 159 Ca 0.18 -0.16 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 1red h TRP 159 Cb 0.35 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 28.34 1red h TRP 159 CO 0.02 0.93 0.18 0.00 -1.05 0.00 0.00 178.44 178.53 1red h ALA 160 N 1.11 0.82 0.00 1.49 0.00 -0.85 -0.21 119.26 121.61 1red h ALA 160 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1red h ALA 160 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1red h ALA 160 CO 0.02 0.51 0.00 1.04 0.00 0.00 0.00 179.25 180.82 1red n GLN 161 N -4.36 0.13 -0.11 0.00 6.02 -0.53 -1.43 117.38 117.10 1red n GLN 161 Ca 0.04 0.48 0.10 0.00 -0.01 0.00 0.00 57.00 57.61 1red n GLN 161 Cb 0.22 -1.82 0.15 0.00 1.02 0.00 0.00 30.24 29.81 1red n GLN 161 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1red n GLN 162 N -2.08 2.06 0.00 -1.09 1.13 -0.69 -4.96 117.38 111.75 1red n GLN 162 Ca 0.01 -1.93 0.00 0.00 -1.94 0.00 0.00 57.00 53.14 1red n GLN 162 Cb 0.13 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1red n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1red n GLY 163 N 1.13 1.23 3.81 1.08 0.00 -0.51 -5.07 105.19 106.85 1red n GLY 163 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1red n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1red s LEU 164 N 0.00 4.31 -0.60 0.99 2.96 -0.18 -4.98 118.68 121.19 1red s LEU 164 Ca 0.00 0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.38 1red s LEU 164 Cb 0.00 -2.14 0.23 0.00 0.50 0.00 0.00 46.19 44.79 1red s LEU 164 CO 0.00 0.29 0.65 0.35 -1.32 0.00 0.00 176.35 176.32 1red n THR 165 N 2.71 1.55 -1.58 3.68 -2.24 -1.26 -3.70 114.28 113.43 1red n THR 165 Ca -0.17 -4.87 -0.47 0.00 -2.27 0.00 0.00 64.05 56.27 1red n THR 165 Cb 0.53 -2.07 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 1red n THR 165 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1red n LEU 166 N 1.22 1.63 0.00 3.22 4.77 -1.26 -4.23 117.00 122.34 1red n LEU 166 Ca 0.27 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.40 1red n LEU 166 Cb 0.42 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1red n LEU 166 CO 0.33 -1.35 0.00 0.61 -1.33 0.00 0.00 177.39 175.65 1red n GLY 167 N 1.73 0.36 3.62 -0.72 0.00 -1.25 -4.86 105.19 104.06 1red n GLY 167 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1red n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1red s THR 168 N 1.93 5.03 0.02 2.61 2.01 0.25 -4.88 115.64 122.61 1red s THR 168 Ca 0.00 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.69 1red s THR 168 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1red s THR 168 CO 0.00 0.06 1.21 -0.04 -0.69 0.00 0.00 174.62 175.16 1red s MET 169 N 2.38 4.40 0.00 4.92 1.00 -1.26 -0.55 119.30 130.18 1red s MET 169 Ca 0.23 1.75 0.00 0.00 0.00 0.00 0.00 55.69 57.67 1red s MET 169 Cb -0.16 -3.43 0.00 0.00 0.00 0.00 0.00 34.83 31.24 1red s MET 169 CO 0.09 -0.34 0.00 -3.47 0.00 0.00 0.00 175.02 171.30 1red n ASP 170 N 4.44 0.00 -4.77 3.03 2.03 -0.49 -4.30 116.55 116.49 1red n ASP 170 Ca 0.10 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.08 1red n ASP 170 Cb 0.46 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.91 1red n ASP 170 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1red s TYR 171 N 4.30 2.57 -0.16 -0.67 -0.85 -1.26 -0.79 117.35 120.49 1red s TYR 171 Ca 0.00 1.56 -0.04 0.00 -0.52 0.00 0.00 57.07 58.06 1red s TYR 171 Cb 0.00 -3.20 0.07 0.00 0.38 0.00 0.00 41.96 39.22 1red s TYR 171 CO 0.00 -1.76 0.17 -1.14 -1.52 0.00 0.00 175.55 171.30 1red s GLN 172 N -4.07 0.12 0.18 -3.49 0.74 -0.36 -2.72 119.66 110.06 1red s GLN 172 Ca 0.68 0.23 0.01 0.00 0.05 0.00 0.00 55.36 56.33 1red s GLN 172 Cb -0.21 -1.11 -0.04 0.00 1.10 0.00 0.00 33.01 32.74 1red s GLN 172 CO 0.42 -0.57 0.04 0.96 -0.55 0.00 0.00 175.29 175.59 1red s ILE 173 N 2.27 0.46 -0.34 -2.34 -4.36 -0.25 -0.18 121.20 116.46 1red s ILE 173 Ca 0.05 -1.97 -0.12 0.00 -0.26 0.00 0.00 60.65 58.35 1red s ILE 173 Cb -0.15 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.33 1red s ILE 173 CO -0.10 -0.35 0.23 -0.69 0.24 0.00 0.00 174.94 174.27 1red s VAL 174 N -3.81 5.17 0.15 8.37 1.01 -0.20 -0.56 120.40 130.53 1red s VAL 174 Ca 0.28 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1red s VAL 174 Cb 0.07 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1red s VAL 174 CO 0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 175.10 174.96 1red s ALA 175 N 1.70 1.93 -0.19 5.51 0.00 0.49 -2.84 121.76 128.36 1red s ALA 175 Ca 0.06 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 1red s ALA 175 Cb -0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1red s ALA 175 CO 0.10 0.24 -0.05 0.08 0.00 0.00 0.00 175.76 176.14 1red s VAL 176 N -1.91 3.57 -0.07 0.00 1.01 -0.49 -1.36 120.40 121.15 1red s VAL 176 Ca 0.14 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1red s VAL 176 Cb -0.06 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1red s VAL 176 CO 0.06 0.45 -0.22 -0.70 0.00 0.00 0.00 175.10 174.69 1red s GLU 177 N 0.95 2.72 0.13 2.72 2.12 -0.48 -1.98 118.70 124.89 1red s GLU 177 Ca -0.00 -0.85 0.11 0.00 0.36 0.00 0.00 54.97 54.59 1red s GLU 177 Cb -0.15 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 1red s GLU 177 CO 0.01 0.36 -0.26 0.20 -0.54 0.00 0.00 175.26 175.03 1red s GLY 178 N -0.10 1.57 -0.33 -1.50 0.00 -0.65 -0.93 107.32 105.38 1red s GLY 178 Ca -0.05 -1.47 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 1red s GLY 178 CO 0.04 -1.45 0.16 -0.47 0.00 0.00 0.00 173.10 171.38 1red s TYR 179 N -1.12 0.95 -1.32 1.90 5.04 -0.45 -1.95 117.35 120.41 1red s TYR 179 Ca 0.14 -1.48 -0.09 0.00 -2.44 0.00 0.00 57.07 53.21 1red s TYR 179 Cb -0.10 -1.21 0.00 0.00 0.35 0.00 0.00 41.96 41.00 1red s TYR 179 CO 0.06 -0.84 0.54 1.19 -1.34 0.00 0.00 175.55 175.16 1red n PHE 180 N 4.60 -1.70 -2.94 4.97 3.01 0.15 -4.49 117.46 121.06 1red n PHE 180 Ca 0.02 0.61 0.00 0.00 1.01 0.00 0.00 57.45 59.09 1red n PHE 180 Cb 0.40 -3.57 0.00 0.00 -0.01 0.00 0.00 39.48 36.30 1red n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1red n SER 181 N -2.83 0.00 -4.15 4.37 3.41 -1.26 -4.76 113.62 108.40 1red n SER 181 Ca -0.23 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.28 1red n SER 181 Cb 0.65 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 1red n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1red s SER 182 N 1.03 0.52 0.00 4.04 0.01 -1.03 -1.59 113.70 116.68 1red s SER 182 Ca 0.00 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1red s SER 182 Cb 0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1red s SER 182 CO 0.00 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1red n GLY 183 N -0.05 -1.79 3.36 3.44 0.00 -0.36 -0.00 105.19 109.78 1red n GLY 183 Ca -0.08 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 1red n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1red s SER 184 N -2.19 -0.39 -0.05 1.61 1.04 -0.85 -1.28 113.70 111.60 1red s SER 184 Ca 0.00 0.25 -0.28 0.00 0.48 0.00 0.00 55.95 56.40 1red s SER 184 Cb 0.00 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.62 1red s SER 184 CO 0.00 -0.60 0.62 0.00 0.98 0.00 0.00 173.24 174.25 1red s ALA 185 N -1.79 -1.62 -0.27 5.32 0.00 0.10 -0.73 121.76 122.78 1red s ALA 185 Ca -0.09 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1red s ALA 185 Cb -0.02 -0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.21 1red s ALA 185 CO 0.03 -0.35 0.23 -1.12 0.00 0.00 0.00 175.76 174.55 1red s SER 186 N -1.18 2.16 -0.01 0.00 0.01 -0.06 -1.39 113.70 113.23 1red s SER 186 Ca -0.11 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 56.40 1red s SER 186 Cb -0.01 0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 1red s SER 186 CO 0.09 -0.39 -0.18 -0.63 0.41 0.00 0.00 173.24 172.54 1red s ILE 187 N 2.28 2.77 -0.19 1.44 -1.09 -0.78 -1.24 121.20 124.38 1red s ILE 187 Ca 0.09 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 1red s ILE 187 Cb -0.15 -2.09 0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1red s ILE 187 CO -0.30 0.51 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.85 1red s THR 188 N -0.77 2.17 0.01 2.92 2.01 0.40 -1.65 115.64 120.72 1red s THR 188 Ca 0.12 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 1red s THR 188 Cb -0.10 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1red s THR 188 CO 0.02 0.51 0.22 -0.69 -0.69 0.00 0.00 174.62 173.99 1red s VAL 189 N 1.30 5.38 0.00 3.82 1.01 0.15 -1.92 120.40 130.14 1red s VAL 189 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1red s VAL 189 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1red s VAL 189 CO -0.12 0.31 0.00 -1.54 0.00 0.00 0.00 175.10 173.76