#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2try n PRO 2 N 0.00 1.37 -4.72 1.61 -0.02 -1.26 -5.00 135.00 126.98 2try n PRO 2 Ca 0.00 0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 61.73 2try n PRO 2 Cb 0.00 -1.88 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 2try n PRO 2 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2try s THR 3 N -1.09 1.22 0.00 3.45 -4.23 -1.26 -4.53 115.64 109.20 2try s THR 3 Ca 0.59 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2try s THR 3 Cb -0.68 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.14 2try s THR 3 CO 0.60 0.35 0.00 0.61 -0.54 0.00 0.00 174.62 175.64 2try n GLY 4 N 2.81 2.18 3.12 3.99 0.00 -1.26 -5.00 105.19 111.02 2try n GLY 4 Ca -0.15 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 2try n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2try s THR 5 N 0.00 0.18 0.00 2.61 -1.32 -1.26 -4.29 115.64 111.55 2try s THR 5 Ca 0.00 -1.80 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 2try s THR 5 Cb 0.00 -1.67 0.00 0.00 -1.51 0.00 0.00 72.50 69.32 2try s THR 5 CO 0.00 -0.81 0.00 0.61 -2.21 0.00 0.00 174.62 172.21 2try n GLY 6 N 0.03 -0.16 0.00 6.08 0.00 -1.26 -4.73 105.19 105.15 2try n GLY 6 Ca -0.11 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2try n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2try n GLU 7 N 0.00 0.00 0.00 1.61 1.02 -1.25 -2.46 120.64 119.56 2try n GLU 7 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2try n GLU 7 Cb 0.00 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 2try n GLU 7 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2try n SER 8 N -1.03 -0.03 -2.01 1.62 2.88 -1.26 -2.67 113.62 111.12 2try n SER 8 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 2try n SER 8 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2try n SER 8 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2try n LYS 9 N 0.00 1.89 -0.96 -1.46 2.85 -1.26 -4.93 118.16 114.29 2try n LYS 9 Ca 0.00 -1.56 0.00 0.00 -1.05 0.00 0.00 58.31 55.70 2try n LYS 9 Cb 0.00 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 2try n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2try n PRO 11 N 0.80 0.15 -3.58 0.00 -0.04 -1.26 -4.63 135.00 126.44 2try n PRO 11 Ca 0.00 0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 2try n PRO 11 Cb 0.08 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 31.74 2try n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2try s LEU 12 N -3.90 -0.38 0.05 1.53 2.96 -1.26 -1.05 118.68 116.64 2try s LEU 12 Ca 0.12 0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 2try s LEU 12 Cb 0.15 0.82 -0.02 0.00 0.50 0.00 0.00 46.19 47.64 2try s LEU 12 CO 0.57 -0.26 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.86 2try s MET 13 N 2.46 1.02 -0.02 1.98 -2.45 0.32 -4.52 119.30 118.09 2try s MET 13 Ca 0.04 -0.82 0.06 0.00 -1.25 0.00 0.00 55.69 53.71 2try s MET 13 Cb -0.13 -1.06 -0.01 0.00 1.25 0.00 0.00 34.83 34.88 2try s MET 13 CO -0.11 0.26 -0.20 0.08 1.05 0.00 0.00 175.02 176.10 2try s VAL 14 N -0.89 1.60 -0.08 10.11 1.01 -0.95 -0.66 120.40 130.55 2try s VAL 14 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2try s VAL 14 Cb -0.08 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.99 2try s VAL 14 CO 0.02 0.45 -0.06 -0.75 0.00 0.00 0.00 175.10 174.76 2try s LYS 15 N -0.43 1.20 -0.07 2.72 2.47 -0.35 0.44 119.74 125.72 2try s LYS 15 Ca 0.07 -0.17 0.05 0.00 -1.56 0.00 0.00 55.97 54.35 2try s LYS 15 Cb -0.08 -1.24 -0.00 0.00 -1.46 0.00 0.00 37.83 35.04 2try s LYS 15 CO -0.00 -0.17 -0.23 0.08 0.16 0.00 0.00 175.35 175.19 2try s VAL 16 N 1.36 1.90 0.23 4.02 1.01 -0.36 0.16 120.40 128.71 2try s VAL 16 Ca -0.03 -0.96 0.12 0.00 0.00 0.00 0.00 61.98 61.10 2try s VAL 16 Cb -0.14 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2try s VAL 16 CO -0.03 0.53 -0.21 -0.76 0.00 0.00 0.00 175.10 174.63 2try s LEU 17 N 0.06 2.54 -0.35 3.92 1.43 0.15 -1.63 118.68 124.80 2try s LEU 17 Ca -0.09 -0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 52.02 2try s LEU 17 Cb -0.15 -1.17 0.05 0.00 0.03 0.00 0.00 46.19 44.95 2try s LEU 17 CO 0.05 0.08 0.12 -0.62 0.23 0.00 0.00 176.35 176.21 2try s ASP 18 N -3.08 5.33 0.00 2.29 -1.08 0.13 -0.72 116.67 119.54 2try s ASP 18 Ca 0.25 -1.21 0.24 0.00 -0.52 0.00 0.00 52.55 51.31 2try s ASP 18 Cb -0.07 -1.87 1.22 0.00 -1.46 0.00 0.00 42.92 40.74 2try s ASP 18 CO 0.13 -0.35 1.78 0.00 0.52 0.00 0.00 175.17 177.24 2try n ALA 19 N 4.80 2.23 -0.01 3.66 0.00 0.58 -0.99 120.51 130.78 2try n ALA 19 Ca -0.12 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.29 2try n ALA 19 Cb 0.44 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 2try n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2try n VAL 20 N -1.25 0.04 0.00 0.00 0.31 -1.26 -4.57 118.33 111.61 2try n VAL 20 Ca 0.12 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2try n VAL 20 Cb 0.17 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 2try n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2try n ARG 21 N -2.15 3.75 -3.06 5.55 5.12 -1.21 -5.02 116.66 119.64 2try n ARG 21 Ca -0.04 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.75 2try n ARG 21 Cb 0.49 -0.71 0.06 0.00 -1.16 0.00 0.00 32.46 31.14 2try n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2try n GLY 22 N 1.62 -0.12 3.38 -0.13 0.00 -0.16 -5.02 105.19 104.76 2try n GLY 22 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2try n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2try s SER 23 N -3.82 -0.14 0.40 1.61 1.04 -1.15 -5.00 113.70 106.64 2try s SER 23 Ca 0.08 -0.54 -0.27 0.00 0.48 0.00 0.00 55.95 55.70 2try s SER 23 Cb -0.03 0.49 -0.10 0.00 0.10 0.00 0.00 66.02 66.48 2try s SER 23 CO 0.51 -0.92 1.40 -2.16 0.98 0.00 0.00 173.24 173.05 2try s PRO 24 N -3.87 3.99 -0.84 4.02 0.04 -1.26 0.21 135.00 137.29 2try s PRO 24 Ca 0.09 2.37 -0.22 0.00 0.04 0.00 0.00 61.00 63.28 2try s PRO 24 Cb 0.02 -2.84 0.08 0.00 0.04 0.00 0.00 34.50 31.79 2try s PRO 24 CO -0.06 -0.55 1.17 0.00 0.04 0.00 0.00 177.00 177.60 2try s ALA 25 N -1.18 3.06 0.15 8.56 0.00 -0.65 -4.65 121.76 127.06 2try s ALA 25 Ca 0.55 -2.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 2try s ALA 25 Cb -0.43 -4.13 -0.07 0.00 0.00 0.00 0.00 23.12 18.50 2try s ALA 25 CO 0.56 -3.10 1.10 0.42 0.00 0.00 0.00 175.76 174.74 2try s ILE 26 N 4.04 3.95 -1.02 0.00 1.01 -1.26 -4.33 121.20 123.59 2try s ILE 26 Ca 0.33 1.63 -0.02 0.00 0.00 0.00 0.00 60.65 62.59 2try s ILE 26 Cb -0.08 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2try s ILE 26 CO -0.00 0.26 0.24 -3.20 0.00 0.00 0.00 174.94 172.23 2try n ASN 27 N 2.62 -4.28 -4.76 3.58 4.05 0.28 -4.92 115.26 111.84 2try n ASN 27 Ca 0.03 -0.12 -0.39 0.00 0.45 0.00 0.00 54.58 54.56 2try n ASN 27 Cb 0.46 -3.27 -0.05 0.00 1.23 0.00 0.00 39.78 38.15 2try n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2try s VAL 28 N -2.82 4.90 0.19 3.44 1.01 -1.26 -4.68 120.40 121.17 2try s VAL 28 Ca 0.12 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 2try s VAL 28 Cb -0.05 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 2try s VAL 28 CO 0.14 0.39 1.03 0.00 0.00 0.00 0.00 175.10 176.67 2try s ALA 29 N -0.06 3.34 -0.08 5.51 0.00 -1.26 -1.40 121.76 127.80 2try s ALA 29 Ca 0.32 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2try s ALA 29 Cb -0.18 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2try s ALA 29 CO 0.18 -0.08 -0.13 0.08 0.00 0.00 0.00 175.76 175.81 2try s VAL 30 N -0.47 1.24 -0.18 0.00 1.01 0.11 -1.53 120.40 120.59 2try s VAL 30 Ca 0.47 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2try s VAL 30 Cb -0.28 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2try s VAL 30 CO 0.34 0.39 -0.19 -1.00 0.00 0.00 0.00 175.10 174.64 2try s HIS 31 N 0.85 2.71 -0.19 5.22 3.76 0.54 -1.37 115.29 126.81 2try s HIS 31 Ca -0.11 -1.61 -0.06 0.00 -0.15 0.00 0.00 55.06 53.13 2try s HIS 31 Cb -0.15 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 2try s HIS 31 CO 0.01 -0.79 0.03 0.08 -0.85 0.00 0.00 174.74 173.22 2try s VAL 32 N 1.31 4.31 0.24 -0.90 1.01 0.11 -0.63 120.40 125.85 2try s VAL 32 Ca 0.04 -0.20 0.11 0.00 0.00 0.00 0.00 61.98 61.94 2try s VAL 32 Cb -0.13 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 2try s VAL 32 CO -0.12 0.44 -0.16 -0.36 0.00 0.00 0.00 175.10 174.89 2try s PHE 33 N 0.72 2.41 0.05 5.22 0.08 -0.52 0.41 117.98 126.35 2try s PHE 33 Ca 0.01 -0.30 0.06 0.00 0.12 0.00 0.00 56.93 56.82 2try s PHE 33 Cb -0.14 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2try s PHE 33 CO 0.02 0.62 -0.17 0.50 -0.10 0.00 0.00 175.22 176.09 2try s ARG 34 N -3.23 1.08 -0.54 0.44 3.52 0.45 -1.12 118.95 119.54 2try s ARG 34 Ca 0.27 -0.88 -0.28 0.00 -0.13 0.00 0.00 55.73 54.71 2try s ARG 34 Cb -0.06 -1.15 0.01 0.00 -1.56 0.00 0.00 34.95 32.19 2try s ARG 34 CO 0.15 0.28 1.40 0.21 -0.81 0.00 0.00 175.30 176.52 2try s LYS 35 N -1.31 3.36 0.67 5.12 2.47 0.11 -1.56 119.74 128.61 2try s LYS 35 Ca 0.04 0.52 -0.11 0.00 -1.56 0.00 0.00 55.97 54.85 2try s LYS 35 Cb -0.09 -4.10 -0.00 0.00 -1.46 0.00 0.00 37.83 32.18 2try s LYS 35 CO 0.02 -1.86 1.07 0.00 0.16 0.00 0.00 175.35 174.74 2try s ALA 36 N 5.88 2.98 0.38 3.13 0.00 -1.11 -4.71 121.76 128.32 2try s ALA 36 Ca 0.53 -0.27 0.18 0.00 0.00 0.00 0.00 51.96 52.40 2try s ALA 36 Cb -0.11 -3.03 1.11 0.00 0.00 0.00 0.00 23.12 21.10 2try s ALA 36 CO 0.26 -0.97 1.73 0.00 0.00 0.00 0.00 175.76 176.78 2try h ALA 37 N -0.52 2.20 -0.09 0.00 0.00 -1.94 0.12 119.26 119.02 2try h ALA 37 Ca -0.45 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2try h ALA 37 Cb 1.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2try h ALA 37 CO 0.63 -0.68 0.00 -0.40 0.00 0.00 0.00 179.25 178.80 2try n ASP 38 N -4.74 0.86 0.00 0.00 5.75 -1.26 -4.89 116.55 112.27 2try n ASP 38 Ca 0.28 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 2try n ASP 38 Cb 0.96 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 2try n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2try n ASP 39 N -0.12 0.00 -3.67 -1.12 2.03 0.41 -5.00 116.55 109.08 2try n ASP 39 Ca 0.04 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.04 2try n ASP 39 Cb 0.17 -0.23 0.25 0.00 -0.72 0.00 0.00 41.12 40.59 2try n ASP 39 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2try s THR 40 N -1.50 1.54 -0.23 5.18 2.01 -1.26 -4.76 115.64 116.61 2try s THR 40 Ca 0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 2try s THR 40 Cb 0.00 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 2try s THR 40 CO 0.00 0.00 0.06 0.26 -0.69 0.00 0.00 174.62 174.25 2try s TRP 41 N -3.03 3.10 -0.08 4.92 0.52 -1.26 -2.73 118.94 120.39 2try s TRP 41 Ca 0.72 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 56.46 2try s TRP 41 Cb -0.08 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 2try s TRP 41 CO 0.56 -0.26 0.11 -1.83 0.02 0.00 0.00 176.95 175.54 2try s GLU 42 N 1.35 3.27 0.11 4.98 -1.05 -0.60 -4.88 118.70 121.88 2try s GLU 42 Ca 0.05 -0.28 -0.31 0.00 -0.15 0.00 0.00 54.97 54.28 2try s GLU 42 Cb -0.15 -3.03 -0.09 0.00 -0.44 0.00 0.00 34.13 30.42 2try s GLU 42 CO 0.03 0.72 1.64 -2.14 0.95 0.00 0.00 175.26 176.47 2try s PRO 43 N -1.26 4.20 -0.21 -4.83 0.02 -1.26 -0.41 135.00 131.24 2try s PRO 43 Ca 0.18 2.37 -0.16 0.00 0.02 0.00 0.00 61.00 63.41 2try s PRO 43 Cb -0.12 -3.44 -0.08 0.00 0.02 0.00 0.00 34.50 30.88 2try s PRO 43 CO 0.08 -0.70 -0.35 0.34 -0.33 0.00 0.00 177.00 176.04 2try n PHE 44 N 5.02 0.00 -3.88 6.54 7.35 0.17 -4.81 117.46 127.84 2try n PHE 44 Ca 0.15 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.76 2try n PHE 44 Cb 0.39 -0.66 -0.02 0.00 0.35 0.00 0.00 39.48 39.55 2try n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2try s ALA 45 N -2.76 -0.89 0.14 3.13 0.00 -0.28 -5.00 121.76 116.11 2try s ALA 45 Ca -0.32 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 2try s ALA 45 Cb 0.08 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.11 2try s ALA 45 CO 0.44 -0.99 0.48 -1.54 0.00 0.00 0.00 175.76 174.15 2try s SER 46 N -2.98 -0.36 0.00 0.00 1.04 -1.26 0.05 113.70 110.19 2try s SER 46 Ca 0.15 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2try s SER 46 Cb -0.05 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2try s SER 46 CO 0.09 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2try n GLY 47 N -0.29 -0.16 3.51 7.32 0.00 -0.47 -4.97 105.19 110.13 2try n GLY 47 Ca -0.16 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 2try n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2try s LYS 48 N -2.00 1.95 0.35 1.61 1.02 -1.26 0.09 119.74 121.50 2try s LYS 48 Ca 0.00 -1.09 -0.27 0.00 0.02 0.00 0.00 55.97 54.63 2try s LYS 48 Cb 0.00 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.03 2try s LYS 48 CO 0.00 0.50 1.14 0.95 -0.92 0.00 0.00 175.35 177.03 2try s THR 49 N -1.11 3.31 0.39 2.17 -4.23 -0.49 -4.74 115.64 110.93 2try s THR 49 Ca 0.18 1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 61.83 2try s THR 49 Cb -0.11 -3.71 0.09 0.00 1.34 0.00 0.00 72.50 70.11 2try s THR 49 CO 0.10 0.19 0.53 -1.54 -0.54 0.00 0.00 174.62 173.36 2try n SER 50 N 0.57 0.21 0.18 3.99 3.41 -0.73 -0.56 113.62 120.69 2try n SER 50 Ca 0.02 -1.30 0.11 0.00 -0.26 0.00 0.00 58.87 57.44 2try n SER 50 Cb 0.46 -0.39 0.64 0.00 -0.26 0.00 0.00 64.21 64.66 2try n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2try h GLU 51 N 0.00 0.02 -0.00 4.33 4.39 -1.95 0.49 114.58 121.85 2try h GLU 51 Ca -0.17 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2try h GLU 51 Cb 0.52 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2try h GLU 51 CO 0.14 0.02 -0.18 -1.13 -1.16 0.00 0.00 179.01 176.69 2try n SER 52 N -4.49 0.65 -0.52 1.42 3.41 -1.26 -4.84 113.62 107.99 2try n SER 52 Ca 0.01 -0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 57.95 2try n SER 52 Cb 0.23 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 2try n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2try n GLY 53 N 1.33 0.38 3.40 5.00 0.00 0.17 -4.83 105.19 110.64 2try n GLY 53 Ca 0.13 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 2try n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2try s GLU 54 N -3.59 1.44 -0.22 1.61 2.02 -1.26 -1.23 118.70 117.47 2try s GLU 54 Ca 0.00 -1.46 0.01 0.00 0.02 0.00 0.00 54.97 53.54 2try s GLU 54 Cb 0.00 -1.75 0.06 0.00 0.10 0.00 0.00 34.13 32.54 2try s GLU 54 CO 0.00 0.38 -0.06 -1.17 0.02 0.00 0.00 175.26 174.44 2try s LEU 55 N -2.53 2.43 0.33 1.80 2.96 0.17 -1.78 118.68 122.06 2try s LEU 55 Ca 0.18 -1.10 0.09 0.00 -0.22 0.00 0.00 54.13 53.08 2try s LEU 55 Cb -0.08 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 2try s LEU 55 CO 0.08 -0.22 0.10 -1.00 -1.32 0.00 0.00 176.35 173.99 2try s HIS 56 N 1.43 2.68 -0.25 5.38 3.76 -1.26 -2.24 115.29 124.79 2try s HIS 56 Ca -0.05 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2try s HIS 56 Cb -0.18 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 31.96 2try s HIS 56 CO -0.07 0.40 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 2try n GLY 57 N -1.08 0.56 0.37 -2.22 0.00 -1.26 -4.92 105.19 96.64 2try n GLY 57 Ca -0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 2try n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2try h LEU 58 N 0.00 1.06 -8.15 0.99 3.38 -1.79 -3.33 115.31 107.47 2try h LEU 58 Ca -0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2try h LEU 58 Cb 0.27 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2try h LEU 58 CO 0.07 0.76 0.11 0.28 0.09 0.00 0.00 178.44 179.75 2try s THR 59 N -6.03 0.00 0.38 0.22 -1.32 -1.03 -4.68 115.64 103.18 2try s THR 59 Ca -0.12 -1.19 0.08 0.00 -1.21 0.00 0.00 61.69 59.25 2try s THR 59 Cb 0.18 -2.56 -0.06 0.00 -1.51 0.00 0.00 72.50 68.56 2try s THR 59 CO 0.81 0.00 0.10 0.42 -2.21 0.00 0.00 174.62 173.74 2try s THR 60 N -3.03 2.45 0.12 5.08 -4.23 -1.24 -4.34 115.64 110.45 2try s THR 60 Ca 0.19 -1.82 -0.19 0.00 -1.18 0.00 0.00 61.69 58.69 2try s THR 60 Cb -0.04 -2.93 -0.06 0.00 1.34 0.00 0.00 72.50 70.81 2try s THR 60 CO 0.12 -0.08 1.74 -0.08 -0.54 0.00 0.00 174.62 175.77 2try h GLU 61 N 1.60 0.31 0.00 3.99 4.22 -1.89 -2.39 114.58 120.43 2try h GLU 61 Ca -0.43 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 58.98 2try h GLU 61 Cb 1.25 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2try h GLU 61 CO 0.70 0.26 -0.00 0.93 -2.18 0.00 0.00 179.01 178.72 2try h GLU 62 N 0.28 0.00 0.03 1.92 4.39 -1.90 -2.88 114.58 116.42 2try h GLU 62 Ca 0.08 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.45 2try h GLU 62 Cb 0.03 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 2try h GLU 62 CO -0.01 0.00 -2.01 -1.91 -1.16 0.00 0.00 179.01 173.92 2try n GLU 63 N -3.10 0.68 -1.75 2.33 2.13 -1.07 -4.65 120.64 115.20 2try n GLU 63 Ca -0.03 0.21 -0.42 0.00 0.66 0.00 0.00 57.16 57.58 2try n GLU 63 Cb 0.08 -1.69 -0.00 0.00 0.27 0.00 0.00 31.44 30.10 2try n GLU 63 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2try n PHE 64 N -3.11 3.49 -1.74 4.31 7.35 -0.92 -4.95 117.46 121.88 2try n PHE 64 Ca -0.27 -2.87 -0.29 0.00 -0.76 0.00 0.00 57.45 53.26 2try n PHE 64 Cb 1.07 -2.50 0.16 0.00 0.35 0.00 0.00 39.48 38.56 2try n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2try s VAL 65 N 3.47 1.95 0.91 -2.13 -7.23 -1.26 -4.90 120.40 111.20 2try s VAL 65 Ca 0.48 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.54 2try s VAL 65 Cb 0.13 -2.89 0.11 0.00 0.56 0.00 0.00 36.38 34.30 2try s VAL 65 CO -0.06 0.00 0.99 -0.62 -0.31 0.00 0.00 175.10 175.10 2try n GLU 66 N -3.80 -0.33 0.00 4.82 1.02 -1.26 -4.71 120.64 116.37 2try n GLU 66 Ca 0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2try n GLU 66 Cb 0.60 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2try n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2try n GLY 67 N 0.59 0.21 3.57 0.62 0.00 -0.90 -4.97 105.19 104.31 2try n GLY 67 Ca 0.11 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 2try n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2try s ILE 68 N -1.45 3.95 0.15 -0.61 1.01 -1.26 -0.12 121.20 122.87 2try s ILE 68 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.34 2try s ILE 68 Cb 0.00 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2try s ILE 68 CO 0.00 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.05 2try s TYR 69 N -0.26 1.40 -0.09 3.97 1.51 -0.15 0.06 117.35 123.80 2try s TYR 69 Ca 0.05 -0.63 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2try s TYR 69 Cb -0.13 -0.71 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 2try s TYR 69 CO 0.02 0.16 -0.10 0.21 -1.11 0.00 0.00 175.55 174.74 2try s LYS 70 N -3.26 1.63 -0.35 -0.62 2.20 -0.28 -1.95 119.74 117.10 2try s LYS 70 Ca 0.14 -0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.29 2try s LYS 70 Cb -0.01 -1.50 -0.00 0.00 -1.51 0.00 0.00 37.83 34.80 2try s LYS 70 CO 0.03 -0.12 0.24 0.08 -0.36 0.00 0.00 175.35 175.22 2try s VAL 71 N 1.17 5.10 -0.27 4.02 1.01 0.29 -1.44 120.40 130.28 2try s VAL 71 Ca -0.05 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2try s VAL 71 Cb -0.14 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2try s VAL 71 CO -0.02 -0.08 0.24 -0.70 0.00 0.00 0.00 175.10 174.53 2try s GLU 72 N 1.68 3.98 -0.25 2.72 2.12 0.20 -0.95 118.70 128.19 2try s GLU 72 Ca 0.05 -0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.09 2try s GLU 72 Cb -0.18 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 2try s GLU 72 CO 0.09 -0.19 0.08 0.42 -0.54 0.00 0.00 175.26 175.13 2try s ILE 73 N 1.78 4.39 -1.33 -3.70 1.01 0.99 -0.34 121.20 124.01 2try s ILE 73 Ca 0.09 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 2try s ILE 73 Cb -0.16 -3.07 0.13 0.00 0.01 0.00 0.00 42.46 39.37 2try s ILE 73 CO 0.10 0.32 1.98 0.47 0.00 0.00 0.00 174.94 177.82 2try n ASP 74 N 4.94 4.72 0.09 3.58 8.00 -0.58 -0.89 116.55 136.40 2try n ASP 74 Ca -0.16 -3.03 0.05 0.00 0.71 0.00 0.00 54.79 52.36 2try n ASP 74 Cb 0.51 -1.53 0.48 0.00 -0.02 0.00 0.00 41.12 40.56 2try n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2try h THR 75 N 3.82 1.09 -0.38 -3.53 1.35 -1.86 -3.28 112.91 110.11 2try h THR 75 Ca 0.45 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 66.05 2try h THR 75 Cb 0.63 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2try h THR 75 CO 1.71 0.10 0.13 0.50 -0.25 0.00 0.00 175.52 177.70 2try h LYS 76 N 0.36 0.58 0.00 4.72 3.64 -1.78 -2.61 116.57 121.49 2try h LYS 76 Ca 0.10 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2try h LYS 76 Cb 0.02 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2try h LYS 76 CO -0.02 0.58 -0.07 1.88 -2.27 0.00 0.00 179.45 179.56 2try h TYR 77 N 0.46 0.00 -0.16 1.91 0.05 -1.87 -1.00 116.97 116.36 2try h TYR 77 Ca 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 2try h TYR 77 Cb 0.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2try h TYR 77 CO 0.01 0.07 0.01 -0.92 -1.05 0.00 0.00 178.16 176.27 2try h TYR 78 N 0.00 0.31 0.03 4.88 3.20 -1.59 -2.18 116.97 121.62 2try h TYR 78 Ca -0.00 -0.05 -0.24 0.00 3.14 0.00 0.00 58.73 61.57 2try h TYR 78 Cb 0.56 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.75 2try h TYR 78 CO 0.00 0.49 -1.03 -1.49 -1.64 0.00 0.00 178.16 174.49 2try h TRP 79 N 0.04 0.67 -0.50 -3.82 4.06 -1.25 -3.22 115.95 111.93 2try h TRP 79 Ca 0.05 -0.39 -0.03 0.00 2.06 0.00 0.00 58.89 60.58 2try h TRP 79 Cb 0.36 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 2try h TRP 79 CO 0.03 1.22 0.19 0.87 -3.56 0.00 0.00 178.44 177.20 2try h LYS 80 N 0.22 0.72 0.00 0.49 1.57 -1.12 0.14 116.57 118.60 2try h LYS 80 Ca -0.10 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2try h LYS 80 Cb 1.68 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.86 2try h LYS 80 CO 0.18 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 2try h ALA 81 N 1.51 1.00 -0.29 3.86 0.00 -1.44 0.12 119.26 124.03 2try h ALA 81 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2try h ALA 81 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2try h ALA 81 CO -0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2try n LEU 82 N -2.62 2.36 0.00 0.00 4.77 0.37 -4.93 117.00 116.95 2try n LEU 82 Ca 0.02 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 2try n LEU 82 Cb 0.29 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2try n LEU 82 CO 0.24 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2try n GLY 83 N 1.26 0.69 3.84 -0.72 0.00 0.42 -5.00 105.19 105.68 2try n GLY 83 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2try n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2try s ILE 84 N -3.04 5.36 -0.16 -0.61 1.01 -0.40 -4.96 121.20 118.41 2try s ILE 84 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 60.65 60.83 2try s ILE 84 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2try s ILE 84 CO 0.00 0.57 0.68 -0.44 0.00 0.00 0.00 174.94 175.75 2try s SER 85 N -0.78 6.80 0.35 3.58 0.01 -1.26 -3.09 113.70 119.31 2try s SER 85 Ca 0.17 0.98 0.07 0.00 1.31 0.00 0.00 55.95 58.48 2try s SER 85 Cb -0.13 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2try s SER 85 CO 0.06 -0.25 0.35 -2.16 0.41 0.00 0.00 173.24 171.64 2try s PRO 86 N 1.67 2.79 -0.06 12.44 0.04 -1.26 -4.92 135.00 145.70 2try s PRO 86 Ca 0.32 -1.26 -0.20 0.00 0.04 0.00 0.00 61.00 59.90 2try s PRO 86 Cb -0.16 -2.55 -0.30 0.00 0.04 0.00 0.00 34.50 31.52 2try s PRO 86 CO 0.12 0.04 0.81 0.35 0.04 0.00 0.00 177.00 178.36 2try h PHE 87 N 1.12 0.53 -3.26 0.56 3.57 -1.58 -3.47 116.94 114.42 2try h PHE 87 Ca -0.44 -0.39 -0.53 0.00 3.53 0.00 0.00 57.97 60.14 2try h PHE 87 Cb 1.26 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 2try h PHE 87 CO 0.50 1.38 -0.15 -1.01 -2.23 0.00 0.00 178.31 176.81 2try s HIS 88 N -2.45 3.46 0.13 0.41 0.09 -1.26 -5.00 115.29 110.68 2try s HIS 88 Ca -0.15 0.69 -0.01 0.00 -0.00 0.00 0.00 55.06 55.59 2try s HIS 88 Cb 0.02 -2.13 -0.10 0.00 -0.00 0.00 0.00 32.58 30.37 2try s HIS 88 CO 0.82 0.21 1.30 0.93 -0.00 0.00 0.00 174.74 178.01 2try h GLU 89 N 1.98 0.29 0.00 1.40 4.39 -1.98 -3.40 114.58 117.26 2try h GLU 89 Ca -0.47 -0.34 0.13 0.00 0.34 0.00 0.00 59.36 59.02 2try h GLU 89 Cb 1.18 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 2try h GLU 89 CO 0.67 1.06 0.48 -2.39 -1.16 0.00 0.00 179.01 177.67 2try n HIS 90 N -3.66 -1.19 -3.83 4.33 1.44 -1.26 -3.82 115.22 107.23 2try n HIS 90 Ca -0.06 -1.01 -0.26 0.00 -2.01 0.00 0.00 57.72 54.38 2try n HIS 90 Cb 0.86 0.49 -0.17 0.00 0.12 0.00 0.00 29.99 31.30 2try n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2try s ALA 91 N -1.83 1.13 0.19 1.59 0.00 -0.07 -4.90 121.76 117.86 2try s ALA 91 Ca 0.18 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.67 2try s ALA 91 Cb -0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2try s ALA 91 CO 0.04 -0.70 0.04 -1.83 0.00 0.00 0.00 175.76 173.32 2try s GLU 92 N 1.79 2.54 -0.06 0.00 -1.05 -1.25 -0.00 118.70 120.66 2try s GLU 92 Ca 0.02 -1.08 -0.01 0.00 -0.15 0.00 0.00 54.97 53.75 2try s GLU 92 Cb -0.14 -2.42 0.03 0.00 -0.44 0.00 0.00 34.13 31.16 2try s GLU 92 CO -0.07 0.45 0.01 0.08 0.95 0.00 0.00 175.26 176.68 2try s VAL 93 N -1.82 0.28 -0.08 1.83 1.01 -0.13 -4.94 120.40 116.56 2try s VAL 93 Ca 0.29 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2try s VAL 93 Cb -0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2try s VAL 93 CO 0.20 0.23 -0.17 -0.69 0.00 0.00 0.00 175.10 174.67 2try s VAL 94 N 1.82 2.77 0.28 2.92 1.01 -1.26 -0.55 120.40 127.38 2try s VAL 94 Ca 0.02 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2try s VAL 94 Cb -0.12 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2try s VAL 94 CO -0.04 0.56 0.74 0.72 0.00 0.00 0.00 175.10 177.09 2try s PHE 95 N -0.22 -0.17 -0.34 5.22 -0.71 -0.82 -4.98 117.98 115.96 2try s PHE 95 Ca -0.00 -0.30 -0.10 0.00 -1.04 0.00 0.00 56.93 55.49 2try s PHE 95 Cb -0.13 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.40 2try s PHE 95 CO 0.03 -1.23 0.18 0.99 -1.34 0.00 0.00 175.22 173.85 2try s THR 96 N -3.77 4.61 -0.06 -4.49 2.01 -1.26 -0.97 115.64 111.71 2try s THR 96 Ca 0.11 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 2try s THR 96 Cb -0.06 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2try s THR 96 CO 0.07 -0.07 0.12 0.00 -0.69 0.00 0.00 174.62 174.05 2try s ALA 97 N 1.59 3.75 -1.59 7.40 0.00 0.84 -4.68 121.76 129.06 2try s ALA 97 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2try s ALA 97 Cb -0.18 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2try s ALA 97 CO 0.07 0.66 0.00 0.09 0.00 0.00 0.00 175.76 176.58 2try n ASN 98 N 1.57 -4.90 -0.95 0.00 3.02 -1.26 -2.12 115.26 110.61 2try n ASN 98 Ca -0.16 0.25 0.02 0.00 -0.03 0.00 0.00 54.58 54.66 2try n ASN 98 Cb 0.54 -3.90 0.14 0.00 -0.61 0.00 0.00 39.78 35.95 2try n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2try n ASP 99 N -0.79 2.56 -2.69 6.41 5.75 -1.26 -3.56 116.55 122.96 2try n ASP 99 Ca -0.17 -2.30 -0.06 0.00 -0.01 0.00 0.00 54.79 52.24 2try n ASP 99 Cb 0.57 -0.55 0.11 0.00 -1.03 0.00 0.00 41.12 40.23 2try n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2try n SER 100 N 0.21 -1.55 0.00 -1.12 3.41 -1.26 -5.13 113.62 108.19 2try n SER 100 Ca 0.09 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 2try n SER 100 Cb 0.56 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 2try n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2try n GLY 101 N -0.70 -1.07 3.77 5.00 0.00 -1.23 -4.97 105.19 105.99 2try n GLY 101 Ca -0.04 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 2try n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2try s PRO 102 N -3.31 3.82 0.26 1.61 0.04 -1.26 -4.51 135.00 131.66 2try s PRO 102 Ca 0.00 2.43 0.02 0.00 0.04 0.00 0.00 61.00 63.48 2try s PRO 102 Cb 0.00 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 2try s PRO 102 CO 0.00 -0.71 0.15 1.03 0.04 0.00 0.00 177.00 177.50 2try s ARG 103 N -2.34 1.43 -0.09 4.56 1.81 -1.26 -4.25 118.95 118.80 2try s ARG 103 Ca 0.58 -1.79 0.01 0.00 -1.72 0.00 0.00 55.73 52.82 2try s ARG 103 Cb -0.44 0.04 -0.02 0.00 -0.45 0.00 0.00 34.95 34.08 2try s ARG 103 CO 0.57 -0.41 -0.13 1.03 -0.68 0.00 0.00 175.30 175.68 2try s ARG 104 N -3.95 2.97 -0.09 3.54 0.52 -0.48 -4.80 118.95 116.65 2try s ARG 104 Ca 0.38 -0.67 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 2try s ARG 104 Cb 0.06 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 33.00 2try s ARG 104 CO 0.16 0.43 -0.22 0.71 0.02 0.00 0.00 175.30 176.39 2try s TYR 105 N -0.20 2.38 -0.29 -0.53 1.51 -0.21 -1.93 117.35 118.08 2try s TYR 105 Ca 0.01 -0.97 0.02 0.00 -1.01 0.00 0.00 57.07 55.13 2try s TYR 105 Cb -0.13 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.18 2try s TYR 105 CO 0.03 -0.39 -0.05 0.99 -1.11 0.00 0.00 175.55 175.02 2try s THR 106 N 0.39 2.33 -0.47 -0.71 2.01 -0.00 -0.52 115.64 118.67 2try s THR 106 Ca -0.18 -1.80 -0.20 0.00 0.31 0.00 0.00 61.69 59.81 2try s THR 106 Cb -0.18 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 69.90 2try s THR 106 CO 0.08 -0.21 0.66 -0.63 -0.69 0.00 0.00 174.62 173.83 2try s ILE 107 N 1.07 4.81 0.01 1.82 1.09 0.17 -0.63 121.20 129.54 2try s ILE 107 Ca -0.03 -0.06 0.01 0.00 -1.10 0.00 0.00 60.65 59.47 2try s ILE 107 Cb -0.20 -4.26 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 2try s ILE 107 CO -0.05 -0.70 0.04 0.00 -0.10 0.00 0.00 174.94 174.13 2try s ALA 108 N 2.84 3.42 -0.03 9.38 0.00 0.68 -1.21 121.76 136.84 2try s ALA 108 Ca 0.21 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 2try s ALA 108 Cb -0.15 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.55 2try s ALA 108 CO 0.17 0.67 0.02 0.00 0.00 0.00 0.00 175.76 176.62 2try s ALA 109 N -1.16 0.30 -0.24 0.00 0.00 0.12 -0.83 121.76 119.96 2try s ALA 109 Ca 0.22 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 2try s ALA 109 Cb -0.12 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 2try s ALA 109 CO 0.13 -0.20 0.16 -1.17 0.00 0.00 0.00 175.76 174.68 2try s LEU 110 N 1.34 4.11 0.04 0.00 2.96 -0.49 -0.67 118.68 125.96 2try s LEU 110 Ca -0.05 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 2try s LEU 110 Cb -0.13 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2try s LEU 110 CO -0.03 0.07 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.29 2try s LEU 111 N 1.04 3.38 0.10 -0.68 1.43 0.11 -2.46 118.68 121.59 2try s LEU 111 Ca 0.07 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 2try s LEU 111 Cb -0.13 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.09 2try s LEU 111 CO 0.04 0.24 0.29 -0.44 0.23 0.00 0.00 176.35 176.72 2try s SER 112 N -1.80 -0.06 0.18 2.29 0.01 -0.75 -0.31 113.70 113.27 2try s SER 112 Ca 0.21 -0.44 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 2try s SER 112 Cb -0.11 0.40 0.18 0.00 0.21 0.00 0.00 66.02 66.70 2try s SER 112 CO 0.12 -0.76 1.72 -0.65 0.41 0.00 0.00 173.24 174.08 2try h PRO 113 N 2.67 0.24 -0.24 12.44 0.11 -1.99 -2.98 132.00 142.25 2try h PRO 113 Ca -0.34 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 2try h PRO 113 Cb 1.22 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2try h PRO 113 CO 0.51 0.16 -0.03 0.66 -0.21 0.00 0.00 178.00 179.09 2try n TYR 114 N -5.10 0.81 -3.51 0.65 4.02 -1.26 -1.36 117.16 111.41 2try n TYR 114 Ca 0.05 -1.10 -0.11 0.00 -0.01 0.00 0.00 57.90 56.74 2try n TYR 114 Cb 0.23 -0.33 -0.03 0.00 -0.02 0.00 0.00 39.34 39.19 2try n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2try s SER 115 N -2.27 -0.44 -0.22 7.72 0.15 -1.13 -4.99 113.70 112.52 2try s SER 115 Ca 0.41 0.18 -0.27 0.00 0.70 0.00 0.00 55.95 56.97 2try s SER 115 Cb 0.35 0.43 0.10 0.00 -1.71 0.00 0.00 66.02 65.18 2try s SER 115 CO 0.05 -0.62 0.88 -0.72 1.20 0.00 0.00 173.24 174.02 2try s TYR 116 N -2.57 -0.58 0.17 3.44 -0.85 -1.26 -1.81 117.35 113.88 2try s TYR 116 Ca 0.01 1.29 0.10 0.00 -0.52 0.00 0.00 57.07 57.95 2try s TYR 116 Cb -0.01 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 2try s TYR 116 CO -0.05 -0.35 -0.23 -1.54 -1.52 0.00 0.00 175.55 171.86 2try s SER 117 N -0.18 3.13 0.01 -0.18 1.04 -1.03 -4.99 113.70 111.49 2try s SER 117 Ca -0.01 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.61 2try s SER 117 Cb -0.03 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 2try s SER 117 CO -0.00 0.08 -0.07 0.28 0.98 0.00 0.00 173.24 174.51 2try s THR 118 N -1.64 0.52 0.01 2.02 -1.32 -1.26 -1.40 115.64 112.56 2try s THR 118 Ca 0.17 -0.53 -0.01 0.00 -1.21 0.00 0.00 61.69 60.11 2try s THR 118 Cb -0.08 -0.49 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 2try s THR 118 CO 0.08 -0.02 0.01 -0.89 -2.21 0.00 0.00 174.62 171.59 2try s THR 119 N -0.53 0.08 0.07 5.08 2.01 -0.01 -5.01 115.64 117.33 2try s THR 119 Ca -0.01 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.43 2try s THR 119 Cb -0.05 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 2try s THR 119 CO 0.00 -0.35 -0.23 0.00 -0.69 0.00 0.00 174.62 173.35 2try s ALA 120 N -1.07 1.99 -0.17 7.40 0.00 -1.26 -0.23 121.76 128.42 2try s ALA 120 Ca -0.12 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 2try s ALA 120 Cb -0.07 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.72 2try s ALA 120 CO -0.00 0.45 -0.04 0.08 0.00 0.00 0.00 175.76 176.24 2try s VAL 121 N -0.89 1.10 -0.07 0.00 1.01 0.20 -4.96 120.40 116.78 2try s VAL 121 Ca 0.09 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2try s VAL 121 Cb -0.09 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2try s VAL 121 CO 0.03 0.08 -0.12 0.54 0.00 0.00 0.00 175.10 175.63 2try s VAL 122 N 1.63 3.27 0.12 2.92 0.11 -1.26 -0.82 120.40 126.37 2try s VAL 122 Ca -0.00 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.45 2try s VAL 122 Cb -0.16 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.33 2try s VAL 122 CO -0.08 0.58 -0.08 0.42 -3.33 0.00 0.00 175.10 172.62 2try s THR 123 N -0.53 0.90 -0.25 5.04 -4.23 -0.81 -4.96 115.64 110.79 2try s THR 123 Ca 0.07 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.41 2try s THR 123 Cb -0.12 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 2try s THR 123 CO 0.02 -0.80 0.53 0.21 -0.54 0.00 0.00 174.62 174.03 2try s ASN 124 N -3.10 6.46 -0.42 3.99 2.47 -1.26 -1.38 114.94 121.70 2try s ASN 124 Ca 0.14 0.56 -0.24 0.00 0.42 0.00 0.00 52.86 53.74 2try s ASN 124 Cb 0.04 -2.29 -0.12 0.00 -1.45 0.00 0.00 41.25 37.43 2try s ASN 124 CO -0.02 -0.28 1.43 -2.65 -3.72 0.00 0.00 177.10 171.86 2try n PRO 125 N 5.46 0.00 -4.00 0.43 -0.02 -1.26 -4.93 135.00 130.68 2try n PRO 125 Ca -0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.19 2try n PRO 125 Cb 0.50 -0.92 -0.05 0.00 -0.02 0.00 0.00 33.50 33.01 2try n PRO 125 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2try s LYS 126 N 4.34 2.29 0.00 -0.52 2.47 -1.26 -5.15 119.74 121.91 2try s LYS 126 Ca 0.77 -1.86 0.17 0.00 -1.56 0.00 0.00 55.97 53.49 2try s LYS 126 Cb -0.86 -2.06 1.00 0.00 -1.46 0.00 0.00 37.83 34.45 2try s LYS 126 CO 0.37 -0.26 1.40 0.39 0.16 0.00 0.00 175.35 177.41