#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvu s VAL 2 N 0.00 1.19 0.18 6.31 1.01 -1.26 -4.16 120.40 123.66 1mvu s VAL 2 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1mvu s VAL 2 Cb 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1mvu s VAL 2 CO 0.00 0.35 0.43 0.00 0.00 0.00 0.00 175.10 175.89 1mvu s GLN 3 N 0.23 1.27 -0.14 2.72 -2.07 -0.58 -5.03 119.66 116.06 1mvu s GLN 3 Ca -0.06 -0.95 0.02 0.00 -1.82 0.00 0.00 55.36 52.55 1mvu s GLN 3 Cb -0.12 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1mvu s GLN 3 CO 0.02 -0.51 -0.18 -0.51 -1.32 0.00 0.00 175.29 172.79 1mvu s LEU 4 N -2.90 1.90 -0.26 2.60 1.43 -1.26 -1.52 118.68 118.68 1mvu s LEU 4 Ca 0.11 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1mvu s LEU 4 Cb 0.01 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1mvu s LEU 4 CO -0.03 0.02 0.15 -1.10 0.23 0.00 0.00 176.35 175.61 1mvu s GLN 5 N 1.10 3.91 0.03 1.70 -0.21 0.14 -4.25 119.66 122.08 1mvu s GLN 5 Ca -0.02 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.03 1mvu s GLN 5 Cb -0.14 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.31 1mvu s GLN 5 CO -0.06 -0.09 0.02 -0.65 -2.12 0.00 0.00 175.29 172.40 1mvu s GLN 6 N 1.45 2.79 0.95 2.91 -0.21 -1.26 -0.16 119.66 126.13 1mvu s GLN 6 Ca 0.07 -0.65 -0.11 0.00 0.02 0.00 0.00 55.36 54.68 1mvu s GLN 6 Cb -0.15 -2.68 0.16 0.00 1.00 0.00 0.00 33.01 31.35 1mvu s GLN 6 CO 0.07 0.60 1.10 -1.54 -2.12 0.00 0.00 175.29 173.40 1mvu s SER 7 N -1.86 2.75 0.92 5.90 1.04 -0.91 -4.96 113.70 116.57 1mvu s SER 7 Ca 0.23 1.86 -0.12 0.00 0.48 0.00 0.00 55.95 58.40 1mvu s SER 7 Cb -0.12 -2.43 0.14 0.00 0.10 0.00 0.00 66.02 63.72 1mvu s SER 7 CO 0.14 -3.15 1.09 -0.83 0.98 0.00 0.00 173.24 171.47 1mvu s GLY 8 N -2.86 1.61 0.30 7.32 0.00 -1.26 -4.61 107.32 107.81 1mvu s GLY 8 Ca 0.66 -0.06 -0.28 0.00 0.00 0.00 0.00 44.72 45.04 1mvu s GLY 8 CO 0.59 0.44 1.01 0.00 0.00 0.00 0.00 173.10 175.14 1mvu n ALA 9 N -3.96 -0.20 -3.64 3.20 0.00 -1.26 -4.78 120.51 109.87 1mvu n ALA 9 Ca 0.07 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 1mvu n ALA 9 Cb 0.55 -2.02 -0.17 0.00 0.00 0.00 0.00 19.45 17.81 1mvu n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1mvu s GLU 10 N -1.58 2.73 -0.31 0.00 0.41 -0.40 -5.01 118.70 114.55 1mvu s GLU 10 Ca 0.59 -0.75 -0.07 0.00 -0.41 0.00 0.00 54.97 54.33 1mvu s GLU 10 Cb -0.69 -2.23 0.02 0.00 -1.78 0.00 0.00 34.13 29.45 1mvu s GLU 10 CO 0.60 -0.02 0.09 -0.51 -0.49 0.00 0.00 175.26 174.93 1mvu s LEU 11 N 0.85 4.03 0.01 1.80 1.43 -1.26 -0.77 118.68 124.77 1mvu s LEU 11 Ca -0.08 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.17 1mvu s LEU 11 Cb -0.15 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1mvu s LEU 11 CO -0.01 -0.25 -0.15 -0.69 0.23 0.00 0.00 176.35 175.48 1mvu s VAL 12 N 1.45 1.16 0.46 -1.59 1.01 -0.65 -4.98 120.40 117.26 1mvu s VAL 12 Ca 0.01 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1mvu s VAL 12 Cb -0.18 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.11 1mvu s VAL 12 CO 0.02 0.20 1.04 0.00 0.00 0.00 0.00 175.10 176.37 1mvu s ARG 13 N -0.67 3.91 0.48 2.72 1.70 -1.26 -4.22 118.95 121.60 1mvu s ARG 13 Ca 0.04 1.39 -0.24 0.00 -0.47 0.00 0.00 55.73 56.45 1mvu s ARG 13 Cb -0.07 -2.21 -0.08 0.00 -0.57 0.00 0.00 34.95 32.03 1mvu s ARG 13 CO 0.00 -0.34 1.39 -2.30 -1.08 0.00 0.00 175.30 172.97 1mvu n PRO 14 N -0.72 2.06 0.00 3.89 -0.02 -1.26 -2.42 135.00 136.53 1mvu n PRO 14 Ca 0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1mvu n PRO 14 Cb 0.52 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1mvu n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mvu n GLY 15 N 0.66 2.82 3.56 -1.23 0.00 0.50 -4.90 105.19 106.59 1mvu n GLY 15 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1mvu n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mvu n ALA 16 N -1.17 -0.31 -2.38 4.61 0.00 -1.02 -4.43 120.51 115.82 1mvu n ALA 16 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 53.44 51.51 1mvu n ALA 16 Cb 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 1mvu n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1mvu s SER 17 N -4.96 2.82 -0.06 0.00 0.01 -1.26 -1.36 113.70 108.88 1mvu s SER 17 Ca 0.63 -1.02 -0.08 0.00 1.31 0.00 0.00 55.95 56.80 1mvu s SER 17 Cb -0.03 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.04 1mvu s SER 17 CO 0.43 -0.12 0.20 0.54 0.41 0.00 0.00 173.24 174.70 1mvu s VAL 18 N -2.85 0.02 -0.18 3.43 0.11 -0.82 -5.00 120.40 115.11 1mvu s VAL 18 Ca 0.24 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1mvu s VAL 18 Cb -0.02 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1mvu s VAL 18 CO 0.09 -0.11 -0.19 -0.75 -3.33 0.00 0.00 175.10 170.81 1mvu s LYS 19 N -0.34 3.01 0.06 1.54 2.20 -1.26 -1.19 119.74 123.75 1mvu s LYS 19 Ca -0.04 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 54.68 1mvu s LYS 19 Cb -0.03 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.63 1mvu s LYS 19 CO 0.01 -0.21 0.32 -0.51 -0.36 0.00 0.00 175.35 174.59 1mvu s LEU 20 N 1.30 4.34 0.15 5.43 1.02 0.12 -4.93 118.68 126.11 1mvu s LEU 20 Ca 0.05 0.59 0.09 0.00 0.02 0.00 0.00 54.13 54.88 1mvu s LEU 20 Cb -0.13 -2.91 -0.04 0.00 0.02 0.00 0.00 46.19 43.12 1mvu s LEU 20 CO -0.12 0.18 -0.14 -0.94 0.02 0.00 0.00 176.35 175.35 1mvu s SER 21 N -1.96 4.05 -0.29 2.29 1.04 -1.26 -1.67 113.70 115.89 1mvu s SER 21 Ca 0.32 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 1mvu s SER 21 Cb -0.13 -0.62 0.11 0.00 0.10 0.00 0.00 66.02 65.47 1mvu s SER 21 CO 0.20 0.15 0.15 0.00 0.98 0.00 0.00 173.24 174.71 1mvu s THR 23 N 2.09 5.25 0.26 0.00 2.01 0.77 -0.69 115.64 125.33 1mvu s THR 23 Ca 0.09 0.54 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 1mvu s THR 23 Cb -0.16 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 1mvu s THR 23 CO -0.35 0.28 0.69 0.00 -0.69 0.00 0.00 174.62 174.55 1mvu s ALA 24 N 1.24 3.41 -0.05 7.40 0.00 -0.60 0.26 121.76 133.42 1mvu s ALA 24 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1mvu s ALA 24 Cb -0.14 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.30 1mvu s ALA 24 CO 0.07 0.37 0.10 0.45 0.00 0.00 0.00 175.76 176.75 1mvu s SER 25 N -2.04 0.29 0.00 0.00 0.15 -0.57 -4.81 113.70 106.71 1mvu s SER 25 Ca 0.48 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1mvu s SER 25 Cb -0.13 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1mvu s SER 25 CO 0.19 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1mvu n GLY 26 N 4.58 0.90 3.47 9.45 0.00 -1.26 -1.53 105.19 120.80 1mvu n GLY 26 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1mvu n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mvu s PHE 27 N -2.12 -0.43 -0.18 1.61 -0.71 -1.26 -4.84 117.98 110.06 1mvu s PHE 27 Ca 0.00 0.17 -0.12 0.00 -1.04 0.00 0.00 56.93 55.93 1mvu s PHE 27 Cb 0.00 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1mvu s PHE 27 CO 0.00 -0.88 0.24 1.21 -1.34 0.00 0.00 175.22 174.44 1mvu s ASN 28 N -2.79 6.35 0.04 1.98 2.47 -1.26 -4.87 114.94 116.86 1mvu s ASN 28 Ca 0.03 0.40 0.10 0.00 0.42 0.00 0.00 52.86 53.81 1mvu s ASN 28 Cb -0.01 -2.15 0.44 0.00 -1.45 0.00 0.00 41.25 38.08 1mvu s ASN 28 CO -0.10 0.12 1.32 2.30 -3.72 0.00 0.00 177.10 177.02 1mvu n ILE 29 N 3.60 1.38 0.37 -5.21 -5.35 -1.26 -2.14 119.36 110.75 1mvu n ILE 29 Ca -0.13 0.38 0.10 0.00 -0.27 0.00 0.00 62.75 62.83 1mvu n ILE 29 Cb 0.52 -1.26 0.45 0.00 -1.74 0.00 0.00 39.64 37.61 1mvu n ILE 29 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1mvu n LYS 30 N -1.61 0.14 -0.52 6.28 4.81 -1.26 -1.60 118.16 124.40 1mvu n LYS 30 Ca 0.02 0.43 0.09 0.00 -0.87 0.00 0.00 58.31 57.97 1mvu n LYS 30 Cb 0.10 -1.80 0.31 0.00 0.02 0.00 0.00 35.03 33.66 1mvu n LYS 30 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1mvu n ASP 31 N -2.08 4.35 -3.81 3.14 -0.08 -0.91 -4.26 116.55 112.90 1mvu n ASP 31 Ca 0.02 -2.48 -0.12 0.00 -1.51 0.00 0.00 54.79 50.70 1mvu n ASP 31 Cb 0.18 -0.52 -0.11 0.00 2.34 0.00 0.00 41.12 43.01 1mvu n ASP 31 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1mvu s ASP 32 N -1.09 -0.15 0.15 1.67 1.11 -0.63 -1.32 116.67 116.41 1mvu s ASP 32 Ca 0.45 0.20 -0.29 0.00 0.18 0.00 0.00 52.55 53.09 1mvu s ASP 32 Cb 0.30 0.36 -0.07 0.00 1.07 0.00 0.00 42.92 44.58 1mvu s ASP 32 CO 0.20 -0.22 0.92 -0.36 1.18 0.00 0.00 175.17 176.90 1mvu s PHE 33 N -0.53 3.87 -0.22 4.23 0.40 -0.26 -4.22 117.98 121.24 1mvu s PHE 33 Ca -0.06 1.79 -0.05 0.00 -0.60 0.00 0.00 56.93 58.01 1mvu s PHE 33 Cb -0.04 -2.99 -0.02 0.00 0.51 0.00 0.00 43.02 40.49 1mvu s PHE 33 CO 0.01 0.32 -0.00 -1.64 0.70 0.00 0.00 175.22 174.61 1mvu s MET 34 N -0.47 3.50 0.19 0.44 -1.94 -0.13 -1.32 119.30 119.57 1mvu s MET 34 Ca 0.43 -0.56 0.06 0.00 -1.71 0.00 0.00 55.69 53.91 1mvu s MET 34 Cb -0.24 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 1mvu s MET 34 CO 0.30 -0.15 0.11 -1.01 -0.01 0.00 0.00 175.02 174.26 1mvu s HIS 35 N 1.41 3.05 -0.03 -0.03 3.76 0.89 -1.41 115.29 122.94 1mvu s HIS 35 Ca 0.05 -0.07 0.04 0.00 -0.15 0.00 0.00 55.06 54.93 1mvu s HIS 35 Cb -0.15 -1.45 -0.00 0.00 1.11 0.00 0.00 32.58 32.10 1mvu s HIS 35 CO -0.00 0.52 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.69 1mvu s TRP 36 N -1.85 1.40 -0.01 1.40 0.52 -0.68 -1.07 118.94 118.64 1mvu s TRP 36 Ca 0.31 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 56.09 1mvu s TRP 36 Cb -0.09 -0.94 -0.00 0.00 -1.15 0.00 0.00 33.47 31.28 1mvu s TRP 36 CO 0.22 -0.11 -0.07 0.08 0.02 0.00 0.00 176.95 177.09 1mvu s VAL 37 N -0.01 0.60 0.03 4.03 1.01 0.44 -0.91 120.40 125.58 1mvu s VAL 37 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1mvu s VAL 37 Cb -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1mvu s VAL 37 CO 0.01 0.18 0.04 -0.75 0.00 0.00 0.00 175.10 174.57 1mvu s LYS 38 N -0.08 2.85 -0.25 2.72 2.20 0.10 -0.47 119.74 126.81 1mvu s LYS 38 Ca 0.02 -0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 1mvu s LYS 38 Cb -0.04 -2.72 0.12 0.00 -1.51 0.00 0.00 37.83 33.68 1mvu s LYS 38 CO -0.00 0.61 0.27 -1.14 -0.36 0.00 0.00 175.35 174.72 1mvu s GLN 39 N -1.87 0.26 0.62 4.03 0.74 -0.48 0.05 119.66 123.01 1mvu s GLN 39 Ca 0.23 0.06 -0.15 0.00 0.05 0.00 0.00 55.36 55.55 1mvu s GLN 39 Cb -0.12 -0.90 -0.02 0.00 1.10 0.00 0.00 33.01 33.08 1mvu s GLN 39 CO 0.15 -0.83 1.08 1.03 -0.55 0.00 0.00 175.29 176.16 1mvu s ARG 40 N 2.35 3.12 -0.10 1.67 0.52 -1.26 -1.73 118.95 123.52 1mvu s ARG 40 Ca 0.09 1.26 -0.38 0.00 -0.52 0.00 0.00 55.73 56.18 1mvu s ARG 40 Cb -0.15 -2.00 -0.15 0.00 0.52 0.00 0.00 34.95 33.16 1mvu s ARG 40 CO -0.22 -0.98 1.61 -2.30 0.02 0.00 0.00 175.30 173.43 1mvu n PRO 41 N -2.21 1.34 -1.17 3.54 -0.02 -1.26 -0.30 135.00 134.91 1mvu n PRO 41 Ca 0.09 0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 62.00 1mvu n PRO 41 Cb 0.53 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1mvu n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1mvu n GLU 42 N 4.42 -1.22 -4.19 -0.52 -0.58 -1.26 -4.98 120.64 112.30 1mvu n GLU 42 Ca 0.23 0.61 -0.29 0.00 -0.42 0.00 0.00 57.16 57.29 1mvu n GLU 42 Cb 0.18 -4.67 -0.03 0.00 -0.57 0.00 0.00 31.44 26.35 1mvu n GLU 42 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1mvu n GLN 43 N -1.20 0.73 -0.72 3.49 6.02 0.59 -5.15 117.38 121.13 1mvu n GLN 43 Ca -0.06 -3.52 -0.07 0.00 -0.01 0.00 0.00 57.00 53.34 1mvu n GLN 43 Cb 0.40 0.65 0.04 0.00 1.02 0.00 0.00 30.24 32.35 1mvu n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mvu n GLY 44 N -1.30 -0.49 3.78 1.08 0.00 -1.26 -4.64 105.19 102.35 1mvu n GLY 44 Ca -0.11 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 1mvu n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mvu s LEU 45 N 0.00 4.39 -0.18 0.99 1.43 -1.26 -4.12 118.68 119.93 1mvu s LEU 45 Ca 0.18 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1mvu s LEU 45 Cb -0.01 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.58 1mvu s LEU 45 CO 0.13 0.17 -0.11 -1.61 0.23 0.00 0.00 176.35 175.16 1mvu s GLU 46 N -0.30 2.07 0.17 1.70 2.02 0.11 -4.97 118.70 119.50 1mvu s GLU 46 Ca 0.25 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.19 1mvu s GLU 46 Cb -0.16 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 31.67 1mvu s GLU 46 CO 0.13 -0.38 1.35 -0.46 0.02 0.00 0.00 175.26 175.92 1mvu s TRP 47 N 1.43 3.23 -0.26 1.61 -0.00 -1.26 0.03 118.94 123.73 1mvu s TRP 47 Ca 0.01 1.10 -0.12 0.00 -0.00 0.00 0.00 56.10 57.09 1mvu s TRP 47 Cb -0.15 -3.65 -0.15 0.00 -0.00 0.00 0.00 33.47 29.52 1mvu s TRP 47 CO -0.09 -2.15 -0.20 -0.89 -0.00 0.00 0.00 176.95 173.62 1mvu n ILE 48 N 3.09 1.54 -2.56 5.86 5.41 -0.09 -4.62 119.36 128.00 1mvu n ILE 48 Ca 0.08 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1mvu n ILE 48 Cb 0.42 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1mvu n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mvu n GLY 49 N 1.51 -1.75 3.49 7.39 0.00 -1.20 -1.07 105.19 113.56 1mvu n GLY 49 Ca -0.48 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 1mvu n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mvu s ARG 50 N -1.71 1.36 0.02 1.61 1.04 -0.05 -1.69 118.95 119.51 1mvu s ARG 50 Ca 0.00 -1.03 0.01 0.00 -1.04 0.00 0.00 55.73 53.67 1mvu s ARG 50 Cb 0.00 0.47 -0.02 0.00 -2.04 0.00 0.00 34.95 33.37 1mvu s ARG 50 CO 0.00 -0.55 -0.04 -1.50 -0.04 0.00 0.00 175.30 173.17 1mvu s ILE 51 N -3.93 0.20 -0.46 4.99 2.07 -0.50 -1.77 121.20 121.80 1mvu s ILE 51 Ca 0.14 -0.75 -0.12 0.00 -1.41 0.00 0.00 60.65 58.51 1mvu s ILE 51 Cb 0.00 -0.29 0.09 0.00 0.13 0.00 0.00 42.46 42.39 1mvu s ILE 51 CO 0.00 -0.35 0.36 -0.62 -1.91 0.00 0.00 174.94 172.42 1mvu s ASP 52 N -1.15 5.91 0.60 4.50 -1.08 0.17 -0.96 116.67 124.66 1mvu s ASP 52 Ca -0.11 -1.55 0.31 0.00 -0.52 0.00 0.00 52.55 50.68 1mvu s ASP 52 Cb -0.08 -2.09 1.79 0.00 -1.46 0.00 0.00 42.92 41.08 1mvu s ASP 52 CO -0.00 -0.65 2.16 -0.65 0.52 0.00 0.00 175.17 176.55 1mvu h PRO 53 N 8.61 0.00 -0.49 4.34 0.11 -1.78 0.82 132.00 143.61 1mvu h PRO 53 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 1mvu h PRO 53 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1mvu h PRO 53 CO 0.86 0.00 0.03 0.00 -0.21 0.00 0.00 178.00 178.69 1mvu h ALA 54 N 1.83 1.13 0.00 -0.75 0.00 -1.84 -3.34 119.26 116.30 1mvu h ALA 54 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1mvu h ALA 54 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1mvu h ALA 54 CO -0.00 0.56 0.00 0.27 0.00 0.00 0.00 179.25 180.08 1mvu n ASN 55 N -4.23 0.58 -1.40 0.00 0.23 -0.99 -5.01 115.26 104.43 1mvu n ASN 55 Ca 0.03 -1.17 -0.16 0.00 -0.53 0.00 0.00 54.58 52.75 1mvu n ASN 55 Cb 0.28 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.93 1mvu n ASN 55 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1mvu n ASP 56 N -0.09 -4.83 -4.69 0.53 8.00 0.28 -4.96 116.55 110.79 1mvu n ASP 56 Ca 0.00 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 1mvu n ASP 56 Cb 0.26 -3.80 -0.03 0.00 -0.02 0.00 0.00 41.12 37.53 1mvu n ASP 56 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1mvu s ASN 57 N -2.65 7.00 0.30 -2.24 3.84 -1.15 -4.76 114.94 115.27 1mvu s ASN 57 Ca 0.00 1.91 0.10 0.00 0.21 0.00 0.00 52.86 55.08 1mvu s ASN 57 Cb 0.00 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 38.09 1mvu s ASN 57 CO 0.00 -0.62 -0.06 0.42 -2.79 0.00 0.00 177.10 174.05 1mvu s THR 58 N 2.21 2.83 -0.16 -5.21 -4.23 -1.26 -0.66 115.64 109.17 1mvu s THR 58 Ca 0.58 -2.10 -0.07 0.00 -1.18 0.00 0.00 61.69 58.92 1mvu s THR 58 Cb -0.27 -2.65 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1mvu s THR 58 CO 0.24 -0.32 0.36 -0.75 -0.54 0.00 0.00 174.62 173.60 1mvu s LYS 59 N -3.63 0.30 0.25 3.99 2.47 -0.73 -5.00 119.74 117.38 1mvu s LYS 59 Ca 0.32 0.80 0.12 0.00 -1.56 0.00 0.00 55.97 55.64 1mvu s LYS 59 Cb -0.04 0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 36.33 1mvu s LYS 59 CO 0.18 -0.21 -0.20 0.71 0.16 0.00 0.00 175.35 176.00 1mvu s TYR 60 N 1.86 2.32 0.20 4.03 1.51 -1.26 -0.87 117.35 125.14 1mvu s TYR 60 Ca -0.06 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 1mvu s TYR 60 Cb -0.10 -1.05 -0.08 0.00 -0.11 0.00 0.00 41.96 40.62 1mvu s TYR 60 CO -0.11 0.65 1.00 0.00 -1.11 0.00 0.00 175.55 175.98 1mvu s ALA 61 N -2.25 3.33 0.26 3.71 0.00 -0.23 -4.92 121.76 121.66 1mvu s ALA 61 Ca 0.27 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 1mvu s ALA 61 Cb -0.06 -3.27 0.51 0.00 0.00 0.00 0.00 23.12 20.30 1mvu s ALA 61 CO 0.14 0.01 1.65 -1.35 0.00 0.00 0.00 175.76 176.21 1mvu h PRO 62 N 4.64 0.17 0.00 0.00 0.11 -1.95 -0.84 132.00 134.14 1mvu h PRO 62 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1mvu h PRO 62 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1mvu h PRO 62 CO 0.70 0.11 0.00 1.57 -0.21 0.00 0.00 178.00 180.17 1mvu h LYS 63 N 0.17 0.00 -0.01 1.05 2.10 -1.96 -2.22 116.57 115.71 1mvu h LYS 63 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1mvu h LYS 63 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1mvu h LYS 63 CO -0.62 0.00 -0.43 1.19 -2.00 0.00 0.00 179.45 177.59 1mvu n PHE 64 N -2.79 0.00 -0.32 0.07 3.72 -0.34 -4.63 117.46 113.17 1mvu n PHE 64 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 1mvu n PHE 64 Cb 0.06 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 38.92 1mvu n PHE 64 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1mvu h GLN 65 N 1.08 0.47 -0.01 -1.08 1.08 -1.11 0.15 115.11 115.69 1mvu h GLN 65 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1mvu h GLN 65 Cb 0.44 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1mvu h GLN 65 CO 0.00 0.31 -0.10 -3.47 -0.95 0.00 0.00 178.83 174.62 1mvu n ASP 66 N -4.97 1.29 -0.05 1.46 2.03 -1.26 -4.36 116.55 110.68 1mvu n ASP 66 Ca 0.23 -1.24 -0.07 0.00 0.52 0.00 0.00 54.79 54.22 1mvu n ASP 66 Cb 0.65 0.05 -0.04 0.00 -0.72 0.00 0.00 41.12 41.06 1mvu n ASP 66 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1mvu n LYS 67 N -0.17 0.24 -4.18 -0.67 3.00 -0.06 -4.88 118.16 111.45 1mvu n LYS 67 Ca 0.16 0.06 -0.30 0.00 -0.00 0.00 0.00 58.31 58.24 1mvu n LYS 67 Cb 0.35 -1.17 -0.09 0.00 0.00 0.00 0.00 35.03 34.12 1mvu n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mvu s ALA 68 N -2.20 3.11 -0.08 3.14 0.00 0.33 -1.38 121.76 124.68 1mvu s ALA 68 Ca -0.13 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1mvu s ALA 68 Cb 0.04 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1mvu s ALA 68 CO 0.22 0.66 -0.03 0.99 0.00 0.00 0.00 175.76 177.61 1mvu s THR 69 N -1.28 0.57 -0.18 0.00 2.01 -0.38 -4.77 115.64 111.61 1mvu s THR 69 Ca 0.23 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.16 1mvu s THR 69 Cb -0.11 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1mvu s THR 69 CO 0.16 0.29 0.01 -0.63 -0.69 0.00 0.00 174.62 173.75 1mvu s ILE 70 N 1.77 4.22 0.17 1.82 1.01 -1.26 -0.66 121.20 128.27 1mvu s ILE 70 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1mvu s ILE 70 Cb -0.13 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1mvu s ILE 70 CO -0.05 0.46 0.01 0.27 0.00 0.00 0.00 174.94 175.62 1mvu s ILE 71 N 0.60 0.62 0.02 2.92 -0.00 -0.82 -4.93 121.20 119.59 1mvu s ILE 71 Ca 0.00 -1.97 -0.00 0.00 -0.00 0.00 0.00 60.65 58.67 1mvu s ILE 71 Cb -0.14 -2.13 -0.02 0.00 -0.00 0.00 0.00 42.46 40.17 1mvu s ILE 71 CO 0.02 -0.46 -0.02 0.00 -0.00 0.00 0.00 174.94 174.49 1mvu s ALA 72 N -3.70 0.08 -0.31 2.27 0.00 -1.26 0.29 121.76 119.13 1mvu s ALA 72 Ca 0.24 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1mvu s ALA 72 Cb 0.06 0.12 0.09 0.00 0.00 0.00 0.00 23.12 23.39 1mvu s ALA 72 CO 0.04 -0.13 0.06 0.34 0.00 0.00 0.00 175.76 176.07 1mvu s ASP 73 N -1.18 4.20 0.39 0.00 -1.08 0.21 -5.00 116.67 114.22 1mvu s ASP 73 Ca -0.13 -1.71 0.11 0.00 -0.52 0.00 0.00 52.55 50.29 1mvu s ASP 73 Cb -0.08 -1.13 0.81 0.00 -1.46 0.00 0.00 42.92 41.06 1mvu s ASP 73 CO -0.01 -0.38 1.92 0.71 0.52 0.00 0.00 175.17 177.93 1mvu h THR 74 N 6.55 1.18 -0.62 1.71 1.35 -1.91 -0.66 112.91 120.51 1mvu h THR 74 Ca -0.11 -0.80 0.01 0.00 -0.55 0.00 0.00 66.41 64.96 1mvu h THR 74 Cb 1.03 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 1mvu h THR 74 CO 0.47 0.24 0.40 -1.28 -0.25 0.00 0.00 175.52 175.11 1mvu h SER 75 N 0.17 0.69 -0.34 5.36 0.87 -1.95 -1.97 113.55 116.37 1mvu h SER 75 Ca 0.03 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1mvu h SER 75 Cb 0.39 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1mvu h SER 75 CO 0.02 0.49 0.00 -1.54 -0.53 0.00 0.00 176.83 175.28 1mvu n SER 76 N -4.67 2.98 -3.94 6.23 3.41 -1.12 -4.95 113.62 111.56 1mvu n SER 76 Ca 0.05 -1.93 -0.29 0.00 -0.26 0.00 0.00 58.87 56.45 1mvu n SER 76 Cb 0.04 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.78 1mvu n SER 76 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mvu n ASN 77 N 1.18 -2.91 -4.11 4.04 5.15 -0.34 -4.81 115.26 113.46 1mvu n ASN 77 Ca 0.18 -0.87 -0.23 0.00 -0.60 0.00 0.00 54.58 53.06 1mvu n ASN 77 Cb 0.53 -3.55 -0.15 0.00 -0.53 0.00 0.00 39.78 36.07 1mvu n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1mvu s THR 78 N -3.50 1.14 0.12 -0.44 2.01 -0.70 -1.56 115.64 112.70 1mvu s THR 78 Ca 0.42 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1mvu s THR 78 Cb -0.21 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1mvu s THR 78 CO 0.86 0.32 0.06 0.00 -0.69 0.00 0.00 174.62 175.17 1mvu s ALA 79 N -0.26 3.42 0.09 7.40 0.00 0.13 -0.62 121.76 131.92 1mvu s ALA 79 Ca 0.04 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1mvu s ALA 79 Cb -0.06 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1mvu s ALA 79 CO -0.00 0.62 -0.09 0.71 0.00 0.00 0.00 175.76 177.00 1mvu s TYR 80 N -1.53 0.97 -0.13 0.00 2.02 0.14 -0.81 117.35 118.02 1mvu s TYR 80 Ca 0.28 -0.70 -0.01 0.00 -0.37 0.00 0.00 57.07 56.27 1mvu s TYR 80 Cb -0.11 -0.54 0.03 0.00 -0.40 0.00 0.00 41.96 40.95 1mvu s TYR 80 CO 0.21 -0.05 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.93 1mvu s LEU 81 N -2.50 1.17 -0.19 -1.29 2.96 -0.67 -1.95 118.68 116.21 1mvu s LEU 81 Ca 0.05 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1mvu s LEU 81 Cb -0.02 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 1mvu s LEU 81 CO -0.01 -0.17 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.24 1mvu s GLN 82 N 1.76 3.58 -0.21 1.98 0.74 0.17 -0.70 119.66 126.99 1mvu s GLN 82 Ca 0.03 -0.55 -0.07 0.00 0.05 0.00 0.00 55.36 54.82 1mvu s GLN 82 Cb -0.14 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 1mvu s GLN 82 CO -0.07 0.05 0.06 -0.51 -0.55 0.00 0.00 175.29 174.26 1mvu s LEU 83 N 0.88 3.62 0.32 3.68 1.43 -0.34 -1.25 118.68 127.03 1mvu s LEU 83 Ca 0.00 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 1mvu s LEU 83 Cb -0.14 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1mvu s LEU 83 CO 0.02 0.09 0.39 -0.44 0.23 0.00 0.00 176.35 176.63 1mvu s SER 84 N 0.89 5.79 -0.97 2.29 0.01 -0.48 -1.94 113.70 119.29 1mvu s SER 84 Ca 0.03 -0.25 -0.24 0.00 1.31 0.00 0.00 55.95 56.81 1mvu s SER 84 Cb -0.14 -1.25 0.03 0.00 0.21 0.00 0.00 66.02 64.87 1mvu s SER 84 CO 0.02 -0.33 0.56 -1.20 0.41 0.00 0.00 173.24 172.71 1mvu n SER 85 N -1.50 -3.60 -4.75 2.44 7.64 -1.20 -4.82 113.62 107.83 1mvu n SER 85 Ca -0.02 -1.06 -0.40 0.00 1.01 0.00 0.00 58.87 58.39 1mvu n SER 85 Cb 0.58 -1.34 0.01 0.00 -1.01 0.00 0.00 64.21 62.45 1mvu n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mvu n LEU 86 N -4.03 4.87 -4.23 -3.43 4.77 -0.47 -4.64 117.00 109.85 1mvu n LEU 86 Ca -0.13 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.86 1mvu n LEU 86 Cb 0.50 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 1mvu n LEU 86 CO 0.62 -0.18 -0.28 0.42 -1.33 0.00 0.00 177.39 176.65 1mvu s THR 87 N -1.18 0.33 0.61 -5.08 -4.23 -1.26 -0.37 115.64 104.45 1mvu s THR 87 Ca 0.60 -1.98 0.33 0.00 -1.18 0.00 0.00 61.69 59.46 1mvu s THR 87 Cb -0.46 -2.35 0.37 0.00 1.34 0.00 0.00 72.50 71.39 1mvu s THR 87 CO 0.59 -0.21 2.24 0.77 -0.54 0.00 0.00 174.62 177.47 1mvu h SER 88 N 2.62 0.00 0.71 3.99 4.64 -1.78 -0.16 113.55 123.56 1mvu h SER 88 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1mvu h SER 88 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1mvu h SER 88 CO 0.59 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.93 1mvu n GLU 89 N -3.66 0.20 0.00 4.77 -0.58 -1.26 -1.72 120.64 118.40 1mvu n GLU 89 Ca -0.02 0.44 0.14 0.00 -0.42 0.00 0.00 57.16 57.30 1mvu n GLU 89 Cb 0.14 -1.89 0.62 0.00 -0.57 0.00 0.00 31.44 29.73 1mvu n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1mvu n ASP 90 N -2.27 0.51 -4.64 1.62 8.00 -0.07 -4.81 116.55 114.88 1mvu n ASP 90 Ca 0.02 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 1mvu n ASP 90 Cb 0.22 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1mvu n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1mvu s THR 91 N -2.43 3.45 -0.09 -3.53 2.01 -0.70 -4.82 115.64 109.53 1mvu s THR 91 Ca 0.30 0.52 -0.31 0.00 0.31 0.00 0.00 61.69 62.51 1mvu s THR 91 Cb 0.20 -3.40 0.11 0.00 0.01 0.00 0.00 72.50 69.42 1mvu s THR 91 CO 0.46 -0.12 1.38 0.00 -0.69 0.00 0.00 174.62 175.65 1mvu s ALA 92 N 4.99 -2.72 -0.15 7.40 0.00 -0.78 -4.59 121.76 125.91 1mvu s ALA 92 Ca 0.79 0.30 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 1mvu s ALA 92 Cb -0.32 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 1mvu s ALA 92 CO 0.32 -1.16 0.19 0.08 0.00 0.00 0.00 175.76 175.20 1mvu s VAL 93 N -2.01 5.39 -0.20 0.00 1.01 -0.71 -1.34 120.40 122.54 1mvu s VAL 93 Ca 0.29 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1mvu s VAL 93 Cb 0.01 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1mvu s VAL 93 CO -0.03 0.50 -0.10 -0.31 0.00 0.00 0.00 175.10 175.15 1mvu s TYR 94 N -0.19 2.89 0.03 5.22 1.51 0.62 -1.38 117.35 126.06 1mvu s TYR 94 Ca 0.13 -1.12 0.01 0.00 -1.01 0.00 0.00 57.07 55.09 1mvu s TYR 94 Cb -0.12 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1mvu s TYR 94 CO 0.03 -0.59 0.06 0.71 -1.11 0.00 0.00 175.55 174.65 1mvu s TYR 95 N 1.30 3.20 0.15 2.71 2.02 0.37 -0.99 117.35 126.11 1mvu s TYR 95 Ca 0.04 0.13 0.08 0.00 -0.37 0.00 0.00 57.07 56.94 1mvu s TYR 95 Cb -0.14 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 1mvu s TYR 95 CO -0.05 0.52 -0.10 0.00 -1.57 0.00 0.00 175.55 174.35 1mvu s ALA 97 N -1.49 -0.35 0.22 0.00 0.00 -0.24 -0.85 121.76 119.05 1mvu s ALA 97 Ca 0.23 -0.52 0.11 0.00 0.00 0.00 0.00 51.96 51.78 1mvu s ALA 97 Cb -0.10 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1mvu s ALA 97 CO 0.14 -0.55 -0.20 -0.98 0.00 0.00 0.00 175.76 174.17 1mvu s ARG 98 N -3.86 1.52 -0.19 0.00 1.70 -0.62 -0.07 118.95 117.43 1mvu s ARG 98 Ca 0.05 -1.61 -0.01 0.00 -0.47 0.00 0.00 55.73 53.69 1mvu s ARG 98 Cb 0.04 -1.65 0.05 0.00 -0.57 0.00 0.00 34.95 32.83 1mvu s ARG 98 CO -0.10 0.33 -0.01 0.50 -1.08 0.00 0.00 175.30 174.93 1mvu s ARG 99 N -3.14 1.07 0.55 3.89 3.52 -0.44 -3.36 118.95 121.05 1mvu s ARG 99 Ca 0.24 -0.56 -0.18 0.00 -0.13 0.00 0.00 55.73 55.11 1mvu s ARG 99 Cb -0.06 -2.14 -0.05 0.00 -1.56 0.00 0.00 34.95 31.14 1mvu s ARG 99 CO 0.11 -0.56 1.06 -1.83 -0.81 0.00 0.00 175.30 173.26 1mvu s GLU 100 N 1.70 3.48 0.00 5.12 4.04 -1.26 -1.11 118.70 130.67 1mvu s GLU 100 Ca -0.01 1.29 0.15 0.00 0.04 0.00 0.00 54.97 56.43 1mvu s GLU 100 Cb -0.17 -2.05 0.16 0.00 0.02 0.00 0.00 34.13 32.09 1mvu s GLU 100 CO -0.07 -0.69 1.02 1.28 -1.84 0.00 0.00 175.26 174.96 1mvu n LEU 101 N -1.62 2.38 0.12 1.83 4.77 -0.43 -4.50 117.00 119.55 1mvu n LEU 101 Ca 0.09 -1.15 -0.02 0.00 -0.03 0.00 0.00 56.01 54.90 1mvu n LEU 101 Cb 0.53 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1mvu n LEU 101 CO 0.44 0.46 0.40 0.10 -1.33 0.00 0.00 177.39 177.46 1mvu h TYR 102 N 2.86 0.00 -3.76 -1.77 -0.00 -1.94 -3.44 116.97 108.92 1mvu h TYR 102 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 58.73 58.24 1mvu h TYR 102 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.35 1mvu h TYR 102 CO 0.05 0.71 0.23 -1.12 -0.00 0.00 0.00 178.16 178.03 1mvu s SER 103 N -6.73 7.15 0.28 0.10 0.01 -1.26 -4.92 113.70 108.32 1mvu s SER 103 Ca -0.00 1.61 0.02 0.00 1.31 0.00 0.00 55.95 58.89 1mvu s SER 103 Cb 0.11 -2.50 0.64 0.00 0.21 0.00 0.00 66.02 64.49 1mvu s SER 103 CO 0.77 -0.07 1.72 0.22 0.41 0.00 0.00 173.24 176.29 1mvu h TYR 104 N 3.08 0.67 -2.89 2.43 3.20 -1.95 -3.40 116.97 118.12 1mvu h TYR 104 Ca -0.47 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.29 1mvu h TYR 104 Cb 1.19 -0.16 -0.26 0.00 1.54 0.00 0.00 36.73 39.04 1mvu h TYR 104 CO 0.62 0.03 -0.34 -0.47 -1.64 0.00 0.00 178.16 176.37 1mvu s TYR 105 N -5.93 -0.40 -0.04 -3.82 5.04 -1.26 -5.10 117.35 105.84 1mvu s TYR 105 Ca -0.12 0.95 -0.05 0.00 -2.44 0.00 0.00 57.07 55.42 1mvu s TYR 105 Cb 0.24 0.14 0.01 0.00 0.35 0.00 0.00 41.96 42.70 1mvu s TYR 105 CO 0.78 -0.21 0.12 0.45 -1.34 0.00 0.00 175.55 175.35 1mvu s SER 106 N 0.52 -0.08 0.91 4.32 0.15 -1.26 -5.11 113.70 113.14 1mvu s SER 106 Ca -0.03 0.13 -0.00 0.00 0.70 0.00 0.00 55.95 56.75 1mvu s SER 106 Cb -0.04 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1mvu s SER 106 CO -0.03 -0.12 0.03 -0.81 1.20 0.00 0.00 173.24 173.51 1mvu n PRO 107 N 2.62 0.06 -2.72 5.44 -0.04 -1.26 -4.79 135.00 134.32 1mvu n PRO 107 Ca -0.15 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 1mvu n PRO 107 Cb 0.58 -0.03 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 1mvu n PRO 107 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mvu s LEU 108 N 0.00 4.17 0.11 1.53 1.43 -1.26 -4.59 118.68 120.07 1mvu s LEU 108 Ca 0.02 -1.63 0.18 0.00 -1.03 0.00 0.00 54.13 51.67 1mvu s LEU 108 Cb -0.00 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.64 1mvu s LEU 108 CO 0.01 -1.34 0.92 -2.24 0.23 0.00 0.00 176.35 173.94 1mvu h ASP 109 N 9.40 0.00 -3.33 2.29 2.03 -1.91 -3.46 116.42 121.45 1mvu h ASP 109 Ca 0.14 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.80 1mvu h ASP 109 Cb 1.02 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.19 1mvu h ASP 109 CO 1.28 0.42 -0.86 -0.69 -1.03 0.00 0.00 179.24 178.36 1mvu s VAL 110 N -3.04 1.80 0.11 4.15 1.01 -1.26 -5.04 120.40 118.13 1mvu s VAL 110 Ca -0.02 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1mvu s VAL 110 Cb 0.09 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1mvu s VAL 110 CO 0.80 0.50 -0.20 0.26 0.00 0.00 0.00 175.10 176.46 1mvu s TRP 111 N 0.56 1.75 0.73 5.22 0.52 -1.26 -1.59 118.94 124.88 1mvu s TRP 111 Ca -0.15 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 55.45 1mvu s TRP 111 Cb -0.17 -0.96 0.05 0.00 -1.15 0.00 0.00 33.47 31.25 1mvu s TRP 111 CO 0.05 0.21 1.08 0.20 0.02 0.00 0.00 176.95 178.51 1mvu s GLY 112 N -1.96 1.63 0.06 0.98 0.00 -0.03 -4.57 107.32 103.42 1mvu s GLY 112 Ca 0.07 -0.67 0.19 0.00 0.00 0.00 0.00 44.72 44.31 1mvu s GLY 112 CO 0.04 -0.25 1.60 0.00 0.00 0.00 0.00 173.10 174.49 1mvu n ALA 113 N -3.05 1.80 0.00 3.20 0.00 -1.26 -4.69 120.51 116.51 1mvu n ALA 113 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1mvu n ALA 113 Cb 0.60 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1mvu n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mvu n GLY 114 N 0.30 0.02 3.04 0.00 0.00 -1.26 -5.02 105.19 102.27 1mvu n GLY 114 Ca 0.04 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 1mvu n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mvu s THR 115 N -2.89 1.38 -0.17 2.61 2.01 -0.17 -4.89 115.64 113.53 1mvu s THR 115 Ca 0.00 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 1mvu s THR 115 Cb 0.00 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1mvu s THR 115 CO 0.00 0.42 0.47 -0.89 -0.69 0.00 0.00 174.62 173.93 1mvu s THR 116 N 0.99 5.16 -0.16 -0.82 2.01 -1.26 -0.27 115.64 121.29 1mvu s THR 116 Ca -0.07 0.89 -0.03 0.00 0.31 0.00 0.00 61.69 62.80 1mvu s THR 116 Cb -0.15 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1mvu s THR 116 CO -0.01 0.26 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.42 1mvu s VAL 117 N 1.14 3.55 -0.15 3.82 1.01 -0.45 -1.27 120.40 128.05 1mvu s VAL 117 Ca 0.24 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1mvu s VAL 117 Cb -0.15 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1mvu s VAL 117 CO 0.09 0.49 -0.16 -0.89 0.00 0.00 0.00 175.10 174.63 1mvu s THR 118 N 0.51 1.73 -0.27 3.92 2.01 0.05 -1.87 115.64 121.72 1mvu s THR 118 Ca -0.05 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1mvu s THR 118 Cb -0.15 -1.59 0.07 0.00 0.01 0.00 0.00 72.50 70.84 1mvu s THR 118 CO 0.03 0.49 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.69 1mvu s VAL 119 N 1.35 2.09 0.83 3.82 1.01 -1.26 -1.64 120.40 126.60 1mvu s VAL 119 Ca 0.03 -1.72 -0.13 0.00 0.00 0.00 0.00 61.98 60.16 1mvu s VAL 119 Cb -0.13 -2.29 0.09 0.00 0.00 0.00 0.00 36.38 34.05 1mvu s VAL 119 CO -0.10 -0.16 1.14 -0.81 0.00 0.00 0.00 175.10 175.17 1mvu n PRO 120 N 4.43 0.06 0.00 2.72 -0.04 -1.26 -4.04 135.00 136.87 1mvu n PRO 120 Ca -0.10 0.10 0.16 0.00 -0.04 0.00 0.00 63.50 63.61 1mvu n PRO 120 Cb 0.42 -2.39 0.89 0.00 -0.04 0.00 0.00 33.50 32.38 1mvu n PRO 120 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89