#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roy n SER 8 N 0.00 0.35 0.00 -1.84 2.88 -1.26 -4.36 113.62 109.39 2roy n SER 8 Ca 0.00 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 2roy n SER 8 Cb 0.00 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2roy n SER 8 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2roy n LYS 9 N 1.79 0.00 -2.57 -1.46 2.85 -1.26 -5.11 118.16 112.40 2roy n LYS 9 Ca 0.17 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.20 2roy n LYS 9 Cb 0.01 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.43 2roy n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2roy n PRO 11 N -2.46 0.36 -3.67 0.00 -0.05 -1.26 -4.85 135.00 123.07 2roy n PRO 11 Ca 0.07 -0.10 -0.27 0.00 -0.05 0.00 0.00 63.50 63.15 2roy n PRO 11 Cb 0.59 -1.52 -0.16 0.00 -0.05 0.00 0.00 33.50 32.36 2roy n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 2roy s LEU 12 N -3.86 0.86 -0.01 1.53 2.96 -1.25 -1.40 118.68 117.50 2roy s LEU 12 Ca -0.00 -0.83 0.05 0.00 -0.22 0.00 0.00 54.13 53.13 2roy s LEU 12 Cb 0.15 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.37 2roy s LEU 12 CO 0.88 -0.34 -0.16 0.00 -1.32 0.00 0.00 176.35 175.41 2roy s MET 13 N 1.97 1.32 -0.06 1.98 0.23 -0.18 -4.43 119.30 120.14 2roy s MET 13 Ca 0.02 -0.57 0.06 0.00 -1.03 0.00 0.00 55.69 54.17 2roy s MET 13 Cb -0.17 -1.27 -0.01 0.00 -1.53 0.00 0.00 34.83 31.86 2roy s MET 13 CO -0.12 0.33 -0.24 0.08 -2.03 0.00 0.00 175.02 173.04 2roy s VAL 14 N -0.33 1.96 -0.09 5.16 1.01 -0.43 -1.52 120.40 126.16 2roy s VAL 14 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2roy s VAL 14 Cb -0.07 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.68 2roy s VAL 14 CO -0.00 0.55 -0.08 -0.75 0.00 0.00 0.00 175.10 174.82 2roy s LYS 15 N -0.12 1.38 -0.10 2.72 2.47 -0.70 -0.42 119.74 124.99 2roy s LYS 15 Ca -0.04 -0.24 0.02 0.00 -1.56 0.00 0.00 55.97 54.15 2roy s LYS 15 Cb -0.14 -1.37 0.01 0.00 -1.46 0.00 0.00 37.83 34.88 2roy s LYS 15 CO 0.04 -0.16 -0.15 0.08 0.16 0.00 0.00 175.35 175.32 2roy s VAL 16 N 1.33 1.42 0.14 4.02 1.01 0.26 -1.36 120.40 127.22 2roy s VAL 16 Ca -0.03 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.44 2roy s VAL 16 Cb -0.14 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2roy s VAL 16 CO -0.03 0.42 -0.23 -0.76 0.00 0.00 0.00 175.10 174.50 2roy s LEU 17 N 0.88 2.36 -0.32 3.92 1.43 -0.61 -1.27 118.68 125.06 2roy s LEU 17 Ca -0.09 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.16 2roy s LEU 17 Cb -0.15 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.06 2roy s LEU 17 CO 0.01 0.09 0.10 -0.62 0.23 0.00 0.00 176.35 176.15 2roy s ASP 18 N -2.28 5.25 0.01 2.29 -1.08 0.14 -1.27 116.67 119.73 2roy s ASP 18 Ca 0.14 -1.00 0.29 0.00 -0.52 0.00 0.00 52.55 51.46 2roy s ASP 18 Cb -0.09 -1.87 1.17 0.00 -1.46 0.00 0.00 42.92 40.66 2roy s ASP 18 CO 0.07 -0.28 1.88 0.00 0.52 0.00 0.00 175.17 177.36 2roy n ALA 19 N 4.83 2.42 -0.03 3.66 0.00 -0.74 0.34 120.51 131.00 2roy n ALA 19 Ca -0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 2roy n ALA 19 Cb 0.46 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 2roy n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2roy n VAL 20 N -1.53 1.61 -0.01 0.00 0.31 -1.26 -4.44 118.33 113.01 2roy n VAL 20 Ca 0.07 -0.79 0.05 0.00 -0.01 0.00 0.00 64.34 63.66 2roy n VAL 20 Cb 0.34 -1.04 -0.08 0.00 -0.91 0.00 0.00 33.84 32.15 2roy n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2roy n ARG 21 N -3.05 0.41 -2.79 5.55 1.74 -1.24 -5.03 116.66 112.24 2roy n ARG 21 Ca -0.19 -0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.69 2roy n ARG 21 Cb 1.06 -1.25 0.05 0.00 -1.02 0.00 0.00 32.46 31.30 2roy n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2roy n GLY 22 N 1.93 -0.59 3.62 -0.13 0.00 0.15 -5.03 105.19 105.14 2roy n GLY 22 Ca -0.03 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 2roy n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2roy s SER 23 N -3.32 -0.42 0.48 1.61 1.04 -0.82 -5.01 113.70 107.26 2roy s SER 23 Ca 0.32 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 56.23 2roy s SER 23 Cb -0.04 0.66 -0.07 0.00 0.10 0.00 0.00 66.02 66.67 2roy s SER 23 CO 0.54 -1.14 1.18 -2.16 0.98 0.00 0.00 173.24 172.64 2roy s PRO 24 N -3.83 3.63 -0.46 4.02 0.04 -1.26 0.27 135.00 137.40 2roy s PRO 24 Ca 0.06 1.79 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 2roy s PRO 24 Cb -0.03 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.22 2roy s PRO 24 CO -0.04 -0.67 0.66 0.00 0.04 0.00 0.00 177.00 177.00 2roy s ALA 25 N -1.56 3.34 -0.02 8.56 0.00 -0.39 -4.55 121.76 127.14 2roy s ALA 25 Ca 0.66 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 2roy s ALA 25 Cb -0.29 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2roy s ALA 25 CO 0.35 -1.88 0.31 0.42 0.00 0.00 0.00 175.76 174.96 2roy s ILE 26 N 2.86 5.21 -1.46 0.00 1.01 -1.26 -4.25 121.20 123.32 2roy s ILE 26 Ca 0.22 0.52 -0.04 0.00 0.00 0.00 0.00 60.65 61.34 2roy s ILE 26 Cb -0.15 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2roy s ILE 26 CO 0.17 0.52 0.57 0.59 0.00 0.00 0.00 174.94 176.80 2roy n ASN 27 N 1.64 -5.84 -4.68 3.58 3.02 -0.97 -4.95 115.26 107.05 2roy n ASN 27 Ca -0.14 -0.27 -0.40 0.00 -0.03 0.00 0.00 54.58 53.74 2roy n ASN 27 Cb 0.53 -4.67 -0.05 0.00 -0.61 0.00 0.00 39.78 34.98 2roy n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2roy s VAL 28 N -3.14 5.00 0.12 2.41 1.01 -1.26 -4.74 120.40 119.80 2roy s VAL 28 Ca 0.28 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 2roy s VAL 28 Cb -0.12 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2roy s VAL 28 CO 0.35 0.14 0.90 0.00 0.00 0.00 0.00 175.10 176.50 2roy s ALA 29 N 1.55 3.30 -0.06 5.51 0.00 -1.26 -1.15 121.76 129.65 2roy s ALA 29 Ca 0.34 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.80 2roy s ALA 29 Cb -0.17 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2roy s ALA 29 CO 0.13 0.05 -0.02 0.08 0.00 0.00 0.00 175.76 176.00 2roy s VAL 30 N -0.28 0.49 -0.12 0.00 1.01 0.23 -1.00 120.40 120.73 2roy s VAL 30 Ca 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 2roy s VAL 30 Cb -0.23 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2roy s VAL 30 CO 0.28 0.25 -0.08 -1.00 0.00 0.00 0.00 175.10 174.56 2roy s HIS 31 N 1.44 2.93 -0.11 5.22 3.76 -0.48 -1.10 115.29 126.95 2roy s HIS 31 Ca -0.03 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 2roy s HIS 31 Cb -0.13 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 2roy s HIS 31 CO -0.03 0.01 -0.13 0.08 -0.85 0.00 0.00 174.74 173.82 2roy s VAL 32 N 0.03 3.05 0.11 -0.90 1.01 0.31 0.33 120.40 124.35 2roy s VAL 32 Ca -0.02 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2roy s VAL 32 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2roy s VAL 32 CO 0.03 0.54 -0.19 -0.36 0.00 0.00 0.00 175.10 175.13 2roy s PHE 33 N 0.10 1.66 -0.11 5.22 0.40 0.26 0.39 117.98 125.91 2roy s PHE 33 Ca -0.06 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.86 2roy s PHE 33 Cb -0.15 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.49 2roy s PHE 33 CO 0.05 0.20 -0.23 0.50 0.70 0.00 0.00 175.22 176.43 2roy s ARG 34 N -2.12 2.99 -0.17 0.44 3.52 -0.61 -1.08 118.95 121.93 2roy s ARG 34 Ca 0.07 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.52 2roy s ARG 34 Cb -0.09 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2roy s ARG 34 CO 0.04 0.12 1.53 0.21 -0.81 0.00 0.00 175.30 176.40 2roy s LYS 35 N 0.48 4.00 1.02 5.12 2.20 -0.69 0.14 119.74 132.02 2roy s LYS 35 Ca -0.16 1.78 -0.17 0.00 -0.36 0.00 0.00 55.97 57.06 2roy s LYS 35 Cb -0.17 -3.95 0.26 0.00 -1.51 0.00 0.00 37.83 32.45 2roy s LYS 35 CO 0.06 -1.03 0.79 0.00 -0.36 0.00 0.00 175.35 174.80 2roy n ALA 36 N 7.64 -3.15 0.07 3.13 0.00 1.76 -4.78 120.51 125.18 2roy n ALA 36 Ca 0.17 -1.24 -0.05 0.00 0.00 0.00 0.00 53.44 52.33 2roy n ALA 36 Cb 0.45 -0.09 0.15 0.00 0.00 0.00 0.00 19.45 19.95 2roy n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roy h ALA 37 N -2.82 0.93 0.00 0.00 0.00 -1.95 -2.83 119.26 112.60 2roy h ALA 37 Ca -0.31 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2roy h ALA 37 Cb 0.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2roy h ALA 37 CO 0.20 0.67 0.00 -0.40 0.00 0.00 0.00 179.25 179.72 2roy n ASP 38 N -3.95 0.00 -0.95 0.00 5.75 -1.26 -4.88 116.55 111.26 2roy n ASP 38 Ca -0.02 -0.89 -0.07 0.00 -0.01 0.00 0.00 54.79 53.79 2roy n ASP 38 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2roy n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2roy n ASP 39 N -0.94 -2.85 -4.32 -1.12 2.03 -1.07 -5.04 116.55 103.25 2roy n ASP 39 Ca 0.17 -0.04 -0.25 0.00 0.52 0.00 0.00 54.79 55.19 2roy n ASP 39 Cb 0.08 -2.04 -0.13 0.00 -0.72 0.00 0.00 41.12 38.31 2roy n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2roy s THR 40 N -2.49 1.89 0.01 5.18 -4.23 -1.26 -4.87 115.64 109.87 2roy s THR 40 Ca 0.03 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 2roy s THR 40 Cb -0.01 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 2roy s THR 40 CO 0.04 -0.03 0.98 0.26 -0.54 0.00 0.00 174.62 175.33 2roy s TRP 41 N -1.19 3.66 -0.11 3.99 0.52 -1.26 0.48 118.94 125.04 2roy s TRP 41 Ca 0.09 1.70 0.02 0.00 0.02 0.00 0.00 56.10 57.94 2roy s TRP 41 Cb -0.10 -3.12 -0.01 0.00 -1.15 0.00 0.00 33.47 29.09 2roy s TRP 41 CO 0.05 -0.02 -0.19 -1.21 0.02 0.00 0.00 176.95 175.60 2roy s GLU 42 N 0.97 3.15 -0.21 4.98 2.02 0.38 -4.83 118.70 125.15 2roy s GLU 42 Ca 0.52 -0.79 -0.43 0.00 0.02 0.00 0.00 54.97 54.29 2roy s GLU 42 Cb -0.21 -2.43 -0.20 0.00 0.10 0.00 0.00 34.13 31.39 2roy s GLU 42 CO 0.28 0.22 1.33 -2.30 0.02 0.00 0.00 175.26 174.81 2roy n PRO 43 N 3.45 0.11 -0.05 0.39 -0.02 -1.26 -1.57 135.00 136.05 2roy n PRO 43 Ca -0.18 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.22 2roy n PRO 43 Cb 0.53 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 32.41 2roy n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2roy n PHE 44 N 2.72 0.00 -3.75 6.00 -0.00 0.16 -4.81 117.46 117.79 2roy n PHE 44 Ca 0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.61 2roy n PHE 44 Cb 0.03 -0.40 -0.02 0.00 -0.00 0.00 0.00 39.48 39.09 2roy n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2roy s ALA 45 N -2.23 -1.31 0.17 3.13 0.00 -1.12 -4.99 121.76 115.41 2roy s ALA 45 Ca -0.16 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 2roy s ALA 45 Cb 0.06 0.86 0.01 0.00 0.00 0.00 0.00 23.12 24.05 2roy s ALA 45 CO 0.20 -0.97 0.41 -1.54 0.00 0.00 0.00 175.76 173.86 2roy s SER 46 N -2.88 -0.13 0.02 0.00 1.04 -1.26 -0.53 113.70 109.97 2roy s SER 46 Ca 0.09 -0.62 -0.26 0.00 0.48 0.00 0.00 55.95 55.64 2roy s SER 46 Cb -0.05 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.66 2roy s SER 46 CO 0.02 -0.96 1.17 0.61 0.98 0.00 0.00 173.24 175.06 2roy n GLY 47 N -0.27 0.32 3.29 7.32 0.00 -0.26 -4.98 105.19 110.61 2roy n GLY 47 Ca -0.10 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 2roy n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roy s LYS 48 N -2.02 1.26 0.46 1.61 3.01 -1.26 0.75 119.74 123.55 2roy s LYS 48 Ca 0.27 -1.13 -0.10 0.00 -1.01 0.00 0.00 55.97 54.00 2roy s LYS 48 Cb -0.01 -1.52 -0.06 0.00 -1.01 0.00 0.00 37.83 35.23 2roy s LYS 48 CO 0.01 0.37 0.82 0.95 0.51 0.00 0.00 175.35 178.00 2roy s THR 49 N -1.04 4.79 0.00 2.17 -4.23 -0.30 -4.73 115.64 112.30 2roy s THR 49 Ca 0.08 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 2roy s THR 49 Cb -0.10 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2roy s THR 49 CO 0.04 -0.68 0.00 -1.54 -0.54 0.00 0.00 174.62 171.90 2roy n SER 50 N -1.71 0.00 0.25 3.99 3.41 -0.57 -2.30 113.62 116.68 2roy n SER 50 Ca 0.03 -0.29 0.17 0.00 -0.26 0.00 0.00 58.87 58.51 2roy n SER 50 Cb 0.54 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.24 2roy n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2roy h GLU 51 N 0.00 0.00 -0.46 4.33 4.39 -1.93 -1.68 114.58 119.23 2roy h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2roy h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2roy h GLU 51 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 2roy n SER 52 N -2.83 3.31 -1.78 1.42 3.41 -1.26 -4.78 113.62 111.12 2roy n SER 52 Ca 0.00 -1.95 -0.18 0.00 -0.26 0.00 0.00 58.87 56.48 2roy n SER 52 Cb 0.22 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 2roy n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2roy n GLY 53 N 1.12 0.61 3.64 5.00 0.00 -0.63 -4.86 105.19 110.06 2roy n GLY 53 Ca 0.17 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2roy n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2roy s GLU 54 N -4.29 2.32 -0.10 1.61 2.02 -1.26 -0.58 118.70 118.43 2roy s GLU 54 Ca 0.00 -1.05 -0.00 0.00 0.02 0.00 0.00 54.97 53.93 2roy s GLU 54 Cb 0.00 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.90 2roy s GLU 54 CO 0.00 0.48 -0.06 -1.17 0.02 0.00 0.00 175.26 174.53 2roy s LEU 55 N -2.63 1.11 0.15 1.80 2.96 0.45 -1.52 118.68 121.00 2roy s LEU 55 Ca 0.25 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2roy s LEU 55 Cb -0.10 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 2roy s LEU 55 CO 0.17 -0.12 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.02 2roy s HIS 56 N 1.61 1.18 -0.34 5.38 3.76 -1.26 -1.32 115.29 124.30 2roy s HIS 56 Ca 0.02 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 2roy s HIS 56 Cb -0.13 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 32.92 2roy s HIS 56 CO -0.06 -0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 2roy n GLY 57 N -0.19 0.38 0.06 -2.22 0.00 -1.26 -4.96 105.19 97.00 2roy n GLY 57 Ca -0.09 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2roy n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2roy h LEU 58 N 0.00 0.00 0.00 0.99 3.38 -1.91 -3.48 115.31 114.29 2roy h LEU 58 Ca -0.08 -0.57 -0.15 0.00 0.09 0.00 0.00 57.88 57.16 2roy h LEU 58 Cb 0.76 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2roy h LEU 58 CO 0.11 0.58 -0.14 1.07 0.09 0.00 0.00 178.44 180.15 2roy n THR 59 N -4.81 0.00 -4.50 0.22 5.66 -1.26 -4.82 114.28 104.77 2roy n THR 59 Ca -0.09 -0.72 -0.24 0.00 -3.05 0.00 0.00 64.05 59.96 2roy n THR 59 Cb 0.29 0.32 -0.09 0.00 -1.55 0.00 0.00 70.33 69.30 2roy n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2roy s THR 60 N -2.26 0.97 0.24 1.09 -4.23 -1.26 -4.67 115.64 105.52 2roy s THR 60 Ca 0.10 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 2roy s THR 60 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 2roy s THR 60 CO 0.07 0.00 1.56 -0.33 -0.54 0.00 0.00 174.62 175.38 2roy h GLU 61 N 1.94 0.26 0.00 3.99 5.08 -1.94 -2.84 114.58 121.07 2roy h GLU 61 Ca -0.39 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 57.73 2roy h GLU 61 Cb 1.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2roy h GLU 61 CO 0.65 0.77 -0.30 1.49 -1.00 0.00 0.00 179.01 180.62 2roy h GLU 62 N 0.20 0.00 0.00 2.33 4.57 -2.04 -3.31 114.58 116.33 2roy h GLU 62 Ca -0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.90 2roy h GLU 62 Cb 1.09 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 2roy h GLU 62 CO 0.09 0.30 -1.56 1.49 -1.18 0.00 0.00 179.01 178.16 2roy h GLU 63 N 0.00 0.00 -4.12 1.92 4.81 -1.96 -3.42 114.58 111.82 2roy h GLU 63 Ca -0.00 -0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.49 2roy h GLU 63 Cb 0.79 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.05 2roy h GLU 63 CO 0.04 0.60 2.18 0.34 -0.73 0.00 0.00 179.01 181.44 2roy n PHE 64 N -3.11 3.66 -1.68 0.92 7.35 -1.08 -4.97 117.46 118.55 2roy n PHE 64 Ca -0.13 -2.95 -0.30 0.00 -0.76 0.00 0.00 57.45 53.31 2roy n PHE 64 Cb 1.03 -2.21 0.22 0.00 0.35 0.00 0.00 39.48 38.86 2roy n PHE 64 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2roy n VAL 65 N 4.33 0.00 -1.72 -2.13 0.24 -1.26 -4.92 118.33 112.86 2roy n VAL 65 Ca 0.43 -0.84 -0.34 0.00 -2.04 0.00 0.00 64.34 61.55 2roy n VAL 65 Cb 0.39 -1.44 0.06 0.00 -1.47 0.00 0.00 33.84 31.38 2roy n VAL 65 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2roy s GLU 66 N -5.79 2.67 0.00 7.34 2.02 -1.26 -4.73 118.70 118.95 2roy s GLU 66 Ca 0.74 1.53 0.00 0.00 0.02 0.00 0.00 54.97 57.27 2roy s GLU 66 Cb -0.03 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2roy s GLU 66 CO 0.53 -1.38 0.00 0.41 0.02 0.00 0.00 175.26 174.84 2roy n GLY 67 N -0.15 -1.53 3.42 -1.39 0.00 -0.93 -4.98 105.19 99.64 2roy n GLY 67 Ca 0.11 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 2roy n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2roy s ILE 68 N -2.79 3.45 0.32 -0.61 1.01 -1.26 -1.09 121.20 120.23 2roy s ILE 68 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.20 2roy s ILE 68 Cb 0.00 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 2roy s ILE 68 CO 0.00 0.50 -0.02 -0.31 0.00 0.00 0.00 174.94 175.11 2roy s TYR 69 N 0.42 2.08 -0.06 3.97 1.51 -0.63 -1.70 117.35 122.95 2roy s TYR 69 Ca -0.07 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 2roy s TYR 69 Cb -0.15 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 2roy s TYR 69 CO 0.04 0.26 -0.04 0.21 -1.11 0.00 0.00 175.55 174.91 2roy s LYS 70 N -3.76 0.91 -0.24 -0.62 2.20 -0.24 -2.66 119.74 115.33 2roy s LYS 70 Ca 0.32 -0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.77 2roy s LYS 70 Cb 0.06 -0.99 -0.03 0.00 -1.51 0.00 0.00 37.83 35.36 2roy s LYS 70 CO 0.14 -0.15 0.08 0.08 -0.36 0.00 0.00 175.35 175.14 2roy s VAL 71 N 1.24 4.42 -0.16 4.02 1.01 -0.16 -0.57 120.40 130.19 2roy s VAL 71 Ca -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2roy s VAL 71 Cb -0.14 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2roy s VAL 71 CO -0.02 0.35 -0.10 -0.70 0.00 0.00 0.00 175.10 174.63 2roy s GLU 72 N 1.49 3.40 -0.18 2.72 2.12 0.15 -0.65 118.70 127.75 2roy s GLU 72 Ca 0.06 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 54.69 2roy s GLU 72 Cb -0.15 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.43 2roy s GLU 72 CO 0.04 0.06 -0.01 0.42 -0.54 0.00 0.00 175.26 175.24 2roy s ILE 73 N 0.76 4.05 -1.21 -3.70 1.01 0.34 -1.38 121.20 121.07 2roy s ILE 73 Ca -0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 2roy s ILE 73 Cb -0.15 -2.81 0.19 0.00 0.01 0.00 0.00 42.46 39.70 2roy s ILE 73 CO 0.02 0.46 1.48 -0.67 0.00 0.00 0.00 174.94 176.22 2roy n ASP 74 N 3.79 5.27 0.03 3.58 2.03 -0.17 -1.29 116.55 129.80 2roy n ASP 74 Ca -0.17 -3.02 -0.02 0.00 0.52 0.00 0.00 54.79 52.10 2roy n ASP 74 Cb 0.52 -1.53 0.23 0.00 -0.72 0.00 0.00 41.12 39.63 2roy n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2roy h THR 75 N 4.36 1.25 -0.72 5.18 1.35 -1.87 -3.25 112.91 119.22 2roy h THR 75 Ca 0.31 -1.19 -0.01 0.00 -0.55 0.00 0.00 66.41 64.98 2roy h THR 75 Cb 0.83 1.32 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 2roy h THR 75 CO 1.28 0.38 0.42 0.50 -0.25 0.00 0.00 175.52 177.85 2roy h LYS 76 N 0.39 0.98 -0.32 4.72 3.64 -1.75 -2.78 116.57 121.45 2roy h LYS 76 Ca 0.06 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2roy h LYS 76 Cb 0.61 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2roy h LYS 76 CO 0.04 0.71 0.06 0.77 -2.27 0.00 0.00 179.45 178.76 2roy h SER 77 N 0.98 0.50 -0.65 4.20 0.02 -1.87 -1.72 113.55 115.00 2roy h SER 77 Ca 0.26 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2roy h SER 77 Cb -0.02 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 2roy h SER 77 CO -0.05 0.62 0.26 0.22 -1.14 0.00 0.00 176.83 176.74 2roy h TYR 78 N 0.36 0.99 0.02 3.45 3.20 -1.56 -2.89 116.97 120.53 2roy h TYR 78 Ca 0.10 -0.07 -0.22 0.00 3.14 0.00 0.00 58.73 61.68 2roy h TYR 78 Cb 0.32 -0.30 0.02 0.00 1.54 0.00 0.00 36.73 38.32 2roy h TYR 78 CO 0.02 0.78 -0.86 -1.49 -1.64 0.00 0.00 178.16 174.97 2roy h TRP 79 N 0.91 0.83 -0.08 -3.82 4.06 -1.51 -3.20 115.95 113.15 2roy h TRP 79 Ca 0.22 -0.47 0.04 0.00 2.06 0.00 0.00 58.89 60.74 2roy h TRP 79 Cb 0.21 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.23 2roy h TRP 79 CO 0.01 1.30 -0.19 0.87 -3.56 0.00 0.00 178.44 176.87 2roy h LYS 80 N 0.13 -0.26 0.00 0.49 1.79 -1.16 0.19 116.57 117.74 2roy h LYS 80 Ca -0.11 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2roy h LYS 80 Cb 1.55 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.26 2roy h LYS 80 CO 0.17 -0.17 0.04 0.00 -1.08 0.00 0.00 179.45 178.41 2roy h ALA 81 N 0.69 1.04 -0.02 3.86 0.00 -1.59 0.80 119.26 124.05 2roy h ALA 81 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2roy h ALA 81 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2roy h ALA 81 CO -0.24 -0.04 -0.01 1.28 0.00 0.00 0.00 179.25 180.24 2roy n LEU 82 N -2.87 2.45 0.00 0.00 4.77 -0.92 -4.99 117.00 115.44 2roy n LEU 82 Ca -0.03 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 2roy n LEU 82 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2roy n LEU 82 CO 0.17 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2roy n GLY 83 N 1.00 0.49 3.75 -0.72 0.00 0.28 -5.07 105.19 104.92 2roy n GLY 83 Ca 0.10 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 2roy n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2roy s ILE 84 N -2.00 4.27 -0.32 -0.61 1.01 0.59 -4.95 121.20 119.18 2roy s ILE 84 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 2roy s ILE 84 Cb 0.00 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.36 2roy s ILE 84 CO 0.00 -0.06 0.08 -0.44 0.00 0.00 0.00 174.94 174.51 2roy s SER 85 N -2.92 5.18 0.70 3.58 0.01 -1.26 -2.87 113.70 116.12 2roy s SER 85 Ca 0.29 -1.09 -0.07 0.00 1.31 0.00 0.00 55.95 56.39 2roy s SER 85 Cb -0.10 -1.84 0.06 0.00 0.21 0.00 0.00 66.02 64.35 2roy s SER 85 CO 0.22 -0.29 1.02 -2.16 0.41 0.00 0.00 173.24 172.43 2roy s PRO 86 N 1.39 2.27 -0.06 12.44 0.04 -1.26 -5.00 135.00 144.81 2roy s PRO 86 Ca -0.02 -0.19 -0.25 0.00 0.04 0.00 0.00 61.00 60.58 2roy s PRO 86 Cb -0.19 -2.16 -0.24 0.00 0.04 0.00 0.00 34.50 31.95 2roy s PRO 86 CO 0.02 -1.20 1.00 0.35 0.04 0.00 0.00 177.00 177.20 2roy h PHE 87 N -0.59 0.19 -4.20 0.56 3.57 -1.50 -3.48 116.94 111.49 2roy h PHE 87 Ca -0.45 -0.11 -0.47 0.00 3.53 0.00 0.00 57.97 60.47 2roy h PHE 87 Cb 1.31 -0.02 0.02 0.00 2.79 0.00 0.00 35.95 40.05 2roy h PHE 87 CO 0.35 0.92 0.38 -1.01 -2.23 0.00 0.00 178.31 176.72 2roy s HIS 88 N -3.04 3.44 0.07 0.41 0.09 -1.26 -4.99 115.29 110.01 2roy s HIS 88 Ca -0.16 1.46 -0.11 0.00 -0.00 0.00 0.00 55.06 56.25 2roy s HIS 88 Cb 0.00 -2.80 -0.25 0.00 -0.00 0.00 0.00 32.58 29.53 2roy s HIS 88 CO 0.73 -0.43 1.15 0.93 -0.00 0.00 0.00 174.74 177.12 2roy h GLU 89 N 0.82 0.52 -1.68 1.40 4.39 -1.98 -3.38 114.58 114.67 2roy h GLU 89 Ca -0.47 -0.70 0.34 0.00 0.34 0.00 0.00 59.36 58.88 2roy h GLU 89 Cb 1.19 0.23 -0.10 0.00 -0.10 0.00 0.00 28.75 29.97 2roy h GLU 89 CO 0.61 1.30 0.88 -3.38 -1.16 0.00 0.00 179.01 177.26 2roy s HIS 90 N -2.97 -0.01 -0.10 4.33 -3.43 -1.26 -3.91 115.29 107.94 2roy s HIS 90 Ca -0.08 -0.09 -0.00 0.00 -0.80 0.00 0.00 55.06 54.09 2roy s HIS 90 Cb 0.06 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.74 2roy s HIS 90 CO 0.91 -0.24 -0.08 0.00 -2.00 0.00 0.00 174.74 173.33 2roy s ALA 91 N -2.21 2.87 -0.03 -1.38 0.00 -0.41 -4.94 121.76 115.66 2roy s ALA 91 Ca 0.21 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2roy s ALA 91 Cb 0.03 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.88 2roy s ALA 91 CO -0.03 0.40 -0.08 -1.83 0.00 0.00 0.00 175.76 174.23 2roy s GLU 92 N -0.22 0.90 -0.21 0.00 -1.05 -1.26 0.13 118.70 116.99 2roy s GLU 92 Ca 0.02 -0.25 0.01 0.00 -0.15 0.00 0.00 54.97 54.61 2roy s GLU 92 Cb -0.13 -0.85 0.03 0.00 -0.44 0.00 0.00 34.13 32.74 2roy s GLU 92 CO 0.03 0.06 -0.15 0.08 0.95 0.00 0.00 175.26 176.23 2roy s VAL 93 N 0.36 2.30 -0.14 1.83 1.01 0.18 -4.95 120.40 120.99 2roy s VAL 93 Ca -0.05 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 2roy s VAL 93 Cb -0.10 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2roy s VAL 93 CO 0.01 0.35 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 2roy s VAL 94 N 1.27 3.22 0.24 2.92 1.01 -1.26 -0.99 120.40 126.81 2roy s VAL 94 Ca 0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2roy s VAL 94 Cb -0.15 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2roy s VAL 94 CO -0.09 0.51 0.37 0.72 0.00 0.00 0.00 175.10 176.61 2roy s PHE 95 N 0.43 0.67 -0.23 5.22 -0.71 -1.09 -5.00 117.98 117.29 2roy s PHE 95 Ca -0.08 -0.98 -0.07 0.00 -1.04 0.00 0.00 56.93 54.75 2roy s PHE 95 Cb -0.15 -0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 2roy s PHE 95 CO 0.04 -0.90 0.07 0.99 -1.34 0.00 0.00 175.22 174.09 2roy s THR 96 N -3.98 4.50 0.05 -4.49 2.01 -1.26 -1.61 115.64 110.87 2roy s THR 96 Ca 0.28 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2roy s THR 96 Cb 0.02 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2roy s THR 96 CO 0.11 0.38 -0.06 0.00 -0.69 0.00 0.00 174.62 174.36 2roy s ALA 97 N 1.17 3.08 -1.78 7.40 0.00 -0.25 -4.81 121.76 126.58 2roy s ALA 97 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2roy s ALA 97 Cb -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.89 2roy s ALA 97 CO 0.03 0.65 0.00 0.09 0.00 0.00 0.00 175.76 176.53 2roy n ASN 98 N 1.06 -4.60 -0.19 0.00 3.02 -1.26 -2.18 115.26 111.11 2roy n ASN 98 Ca -0.14 0.38 -0.09 0.00 -0.03 0.00 0.00 54.58 54.70 2roy n ASN 98 Cb 0.52 -4.11 0.01 0.00 -0.61 0.00 0.00 39.78 35.60 2roy n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2roy h ASP 99 N 0.00 0.86 -1.88 6.41 2.03 -1.92 -2.82 116.42 119.11 2roy h ASP 99 Ca -0.36 -0.26 -0.72 0.00 -0.73 0.00 0.00 57.03 54.96 2roy h ASP 99 Cb 1.15 -0.23 -0.31 0.00 -0.83 0.00 0.00 39.33 39.10 2roy h ASP 99 CO 0.51 0.91 0.54 -1.54 -1.03 0.00 0.00 179.24 178.63 2roy n SER 100 N -4.36 6.70 0.00 4.15 3.41 -1.26 -5.02 113.62 117.25 2roy n SER 100 Ca 0.02 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 2roy n SER 100 Cb 0.27 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2roy n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2roy n GLY 101 N -0.50 2.10 3.77 5.00 0.00 -1.06 -5.03 105.19 109.46 2roy n GLY 101 Ca 0.49 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 2roy n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roy s PRO 102 N -3.31 3.91 0.29 1.61 0.04 -1.26 -4.34 135.00 131.94 2roy s PRO 102 Ca 0.00 2.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 2roy s PRO 102 Cb 0.00 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 2roy s PRO 102 CO 0.00 -0.56 0.33 1.03 0.04 0.00 0.00 177.00 177.85 2roy s ARG 103 N -2.28 1.62 -0.12 4.56 1.81 -1.26 -4.31 118.95 118.97 2roy s ARG 103 Ca 0.58 -1.70 -0.02 0.00 -1.72 0.00 0.00 55.73 52.86 2roy s ARG 103 Cb -0.39 0.37 -0.03 0.00 -0.45 0.00 0.00 34.95 34.45 2roy s ARG 103 CO 0.50 -0.62 -0.03 1.03 -0.68 0.00 0.00 175.30 175.49 2roy s ARG 104 N -3.60 3.31 -0.11 3.54 0.52 -0.46 -4.84 118.95 117.31 2roy s ARG 104 Ca 0.34 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 2roy s ARG 104 Cb 0.02 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.68 2roy s ARG 104 CO 0.18 0.44 -0.21 0.71 0.02 0.00 0.00 175.30 176.45 2roy s TYR 105 N -0.19 2.39 -0.22 -0.53 1.51 -0.49 -1.49 117.35 118.33 2roy s TYR 105 Ca 0.04 -1.06 0.01 0.00 -1.01 0.00 0.00 57.07 55.05 2roy s TYR 105 Cb -0.13 -1.63 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 2roy s TYR 105 CO 0.02 -0.47 -0.11 0.99 -1.11 0.00 0.00 175.55 174.88 2roy s THR 106 N 0.61 1.80 -0.38 -0.71 2.01 -0.20 -1.01 115.64 117.76 2roy s THR 106 Ca -0.13 -1.19 -0.13 0.00 0.31 0.00 0.00 61.69 60.55 2roy s THR 106 Cb -0.17 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.48 2roy s THR 106 CO 0.04 0.13 0.26 -0.63 -0.69 0.00 0.00 174.62 173.72 2roy s ILE 107 N 1.31 5.05 -0.07 1.82 -1.09 -0.58 -1.36 121.20 126.28 2roy s ILE 107 Ca -0.03 -0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 57.71 2roy s ILE 107 Cb -0.17 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2roy s ILE 107 CO -0.08 -0.23 0.14 0.00 -1.23 0.00 0.00 174.94 173.55 2roy s ALA 108 N 1.65 3.85 -0.05 9.38 0.00 -1.00 -1.72 121.76 133.87 2roy s ALA 108 Ca 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2roy s ALA 108 Cb -0.19 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.07 2roy s ALA 108 CO 0.09 0.67 -0.08 0.00 0.00 0.00 0.00 175.76 176.44 2roy s ALA 109 N -1.15 0.91 -0.30 0.00 0.00 -0.46 -1.76 121.76 119.01 2roy s ALA 109 Ca 0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 2roy s ALA 109 Cb -0.12 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.58 2roy s ALA 109 CO 0.10 0.06 0.02 -1.17 0.00 0.00 0.00 175.76 174.78 2roy s LEU 110 N 0.71 3.82 -0.03 0.00 2.96 -1.00 -1.58 118.68 123.54 2roy s LEU 110 Ca -0.12 -1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 52.72 2roy s LEU 110 Cb -0.14 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2roy s LEU 110 CO 0.02 -0.23 0.10 -0.76 -1.32 0.00 0.00 176.35 174.15 2roy s LEU 111 N 1.34 4.01 0.12 -0.68 1.43 -0.40 -1.40 118.68 123.10 2roy s LEU 111 Ca -0.02 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2roy s LEU 111 Cb -0.19 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2roy s LEU 111 CO -0.00 0.31 0.03 -0.44 0.23 0.00 0.00 176.35 176.48 2roy s SER 112 N -1.54 0.45 0.20 2.29 0.01 0.12 -1.79 113.70 113.44 2roy s SER 112 Ca 0.21 -1.16 -0.11 0.00 1.31 0.00 0.00 55.95 56.20 2roy s SER 112 Cb -0.12 0.26 0.23 0.00 0.21 0.00 0.00 66.02 66.60 2roy s SER 112 CO 0.11 -0.68 1.74 -0.65 0.41 0.00 0.00 173.24 174.18 2roy h PRO 113 N 2.90 0.37 -0.25 12.44 0.11 -1.99 -2.63 132.00 142.95 2roy h PRO 113 Ca -0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2roy h PRO 113 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2roy h PRO 113 CO 0.61 0.24 -0.00 0.66 -0.21 0.00 0.00 178.00 179.30 2roy n TYR 114 N -5.01 0.89 -3.51 0.65 4.02 -1.26 -1.15 117.16 111.79 2roy n TYR 114 Ca 0.07 -0.92 -0.16 0.00 -0.01 0.00 0.00 57.90 56.88 2roy n TYR 114 Cb 0.24 -0.31 -0.05 0.00 -0.02 0.00 0.00 39.34 39.20 2roy n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2roy s SER 115 N -2.03 -0.61 -0.17 7.72 0.15 -0.99 -4.98 113.70 112.78 2roy s SER 115 Ca 0.42 0.51 -0.13 0.00 0.70 0.00 0.00 55.95 57.44 2roy s SER 115 Cb 0.34 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 65.24 2roy s SER 115 CO 0.08 -0.69 0.44 -0.72 1.20 0.00 0.00 173.24 173.55 2roy s TYR 116 N -1.82 -0.56 0.37 3.44 -0.85 -1.26 -0.70 117.35 115.97 2roy s TYR 116 Ca -0.08 1.27 0.08 0.00 -0.52 0.00 0.00 57.07 57.81 2roy s TYR 116 Cb -0.00 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.54 2roy s TYR 116 CO 0.04 -0.29 0.36 -1.54 -1.52 0.00 0.00 175.55 172.60 2roy s SER 117 N 0.73 5.28 -0.27 -0.18 1.04 -0.49 -4.96 113.70 114.85 2roy s SER 117 Ca -0.04 -0.56 -0.23 0.00 0.48 0.00 0.00 55.95 55.60 2roy s SER 117 Cb -0.05 -0.82 0.08 0.00 0.10 0.00 0.00 66.02 65.33 2roy s SER 117 CO -0.05 -0.50 0.76 0.28 0.98 0.00 0.00 173.24 174.71 2roy s THR 118 N -2.36 0.00 0.21 2.02 -1.32 -1.26 -2.39 115.64 110.54 2roy s THR 118 Ca 0.45 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.95 2roy s THR 118 Cb -0.05 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 2roy s THR 118 CO 0.28 0.00 0.04 0.28 -2.21 0.00 0.00 174.62 173.01 2roy s THR 119 N 0.62 0.61 -0.01 5.08 -1.32 -0.72 -5.02 115.64 114.89 2roy s THR 119 Ca -0.02 -1.99 0.05 0.00 -1.21 0.00 0.00 61.69 58.52 2roy s THR 119 Cb -0.05 -2.33 -0.01 0.00 -1.51 0.00 0.00 72.50 68.60 2roy s THR 119 CO -0.04 -0.28 -0.15 0.00 -2.21 0.00 0.00 174.62 171.94 2roy s ALA 120 N -3.71 1.24 -0.15 11.08 0.00 -1.26 -2.37 121.76 126.59 2roy s ALA 120 Ca 0.30 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2roy s ALA 120 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2roy s ALA 120 CO 0.08 0.30 -0.15 0.08 0.00 0.00 0.00 175.76 176.07 2roy s VAL 121 N -0.39 2.76 -0.12 0.00 1.01 -0.47 -4.98 120.40 118.22 2roy s VAL 121 Ca 0.05 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2roy s VAL 121 Cb -0.06 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2roy s VAL 121 CO -0.00 0.52 -0.13 -0.69 0.00 0.00 0.00 175.10 174.79 2roy s VAL 122 N 0.71 1.40 0.15 2.92 1.01 -1.26 -1.03 120.40 124.29 2roy s VAL 122 Ca -0.07 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.45 2roy s VAL 122 Cb -0.16 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2roy s VAL 122 CO 0.02 0.43 -0.20 0.42 0.00 0.00 0.00 175.10 175.76 2roy s THR 123 N 1.26 1.88 -0.30 3.92 -4.23 -0.56 -4.95 115.64 112.66 2roy s THR 123 Ca -0.01 -1.84 -0.22 0.00 -1.18 0.00 0.00 61.69 58.44 2roy s THR 123 Cb -0.14 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 2roy s THR 123 CO -0.05 -0.21 0.71 0.21 -0.54 0.00 0.00 174.62 174.73 2roy s ASN 124 N -2.46 6.59 0.00 3.99 3.84 -1.26 -1.35 114.94 124.29 2roy s ASN 124 Ca 0.14 0.57 -0.01 0.00 0.21 0.00 0.00 52.86 53.77 2roy s ASN 124 Cb -0.07 -2.37 -0.01 0.00 -0.55 0.00 0.00 41.25 38.25 2roy s ASN 124 CO 0.06 -0.53 1.02 -0.65 -2.79 0.00 0.00 177.10 174.21 2roy h PRO 125 N 8.12 -0.04 0.00 0.43 0.11 -1.92 -3.48 132.00 135.23 2roy h PRO 125 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2roy h PRO 125 Cb 1.11 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2roy h PRO 125 CO 0.84 -0.02 0.00 1.63 -0.21 0.00 0.00 178.00 180.23 2roy n LYS 126 N -2.14 0.00 0.00 1.05 5.02 -1.26 -5.14 118.16 115.69 2roy n LYS 126 Ca -0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 2roy n LYS 126 Cb 0.01 0.00 0.58 0.00 -0.02 0.00 0.00 35.03 35.60 2roy n LYS 126 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27