#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks s SER 2 N 0.00 4.07 -0.13 1.61 0.01 -1.26 -5.07 113.70 112.93 2dks s SER 2 Ca 0.00 1.65 -0.07 0.00 1.31 0.00 0.00 55.95 58.84 2dks s SER 2 Cb 0.00 -2.34 0.05 0.00 0.21 0.00 0.00 66.02 63.94 2dks s SER 2 CO 0.00 -2.28 0.30 -0.44 0.41 0.00 0.00 173.24 171.23 2dks s SER 3 N -3.44 -0.35 1.23 2.44 0.01 -1.26 -5.17 113.70 107.16 2dks s SER 3 Ca 0.62 0.65 -0.18 0.00 1.31 0.00 0.00 55.95 58.35 2dks s SER 3 Cb -0.17 0.54 0.27 0.00 0.21 0.00 0.00 66.02 66.87 2dks s SER 3 CO 0.56 -0.17 0.96 0.61 0.41 0.00 0.00 173.24 175.61 2dks n GLY 4 N 4.20 -2.76 3.67 3.44 0.00 -1.26 -4.94 105.19 107.54 2dks n GLY 4 Ca -0.24 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 2dks n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks s SER 5 N -4.08 6.91 -0.75 1.61 0.01 -1.26 -4.95 113.70 111.19 2dks s SER 5 Ca 0.63 1.86 -0.26 0.00 1.31 0.00 0.00 55.95 59.48 2dks s SER 5 Cb -0.06 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.63 2dks s SER 5 CO 0.48 -0.75 1.55 -0.55 0.41 0.00 0.00 173.24 174.38 2dks s SER 6 N 2.08 5.83 0.00 2.44 0.15 -1.26 -4.77 113.70 118.17 2dks s SER 6 Ca 0.59 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2dks s SER 6 Cb -0.25 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2dks s SER 6 CO 0.20 -2.05 0.00 0.61 1.20 0.00 0.00 173.24 173.20 2dks n GLY 7 N 5.82 2.70 3.55 9.45 0.00 -1.26 -5.15 105.19 120.30 2dks n GLY 7 Ca 0.16 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2dks n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dks n THR 8 N 0.00 1.30 -3.73 2.61 -2.24 -1.26 -5.03 114.28 105.92 2dks n THR 8 Ca 0.00 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2dks n THR 8 Cb 0.00 -0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 67.20 2dks n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dks s ALA 9 N -2.17 -0.68 -0.16 6.98 0.00 -1.26 -5.10 121.76 119.37 2dks s ALA 9 Ca 0.66 1.04 -0.09 0.00 0.00 0.00 0.00 51.96 53.58 2dks s ALA 9 Cb -0.28 -0.64 0.06 0.00 0.00 0.00 0.00 23.12 22.25 2dks s ALA 9 CO 0.58 -0.19 0.38 1.14 0.00 0.00 0.00 175.76 177.66 2dks s GLN 10 N 1.02 0.36 -0.83 0.00 -2.07 -1.26 -5.08 119.66 111.79 2dks s GLN 10 Ca -0.07 0.72 -0.32 0.00 -1.82 0.00 0.00 55.36 53.87 2dks s GLN 10 Cb -0.08 -0.03 -0.19 0.00 -1.09 0.00 0.00 33.01 31.62 2dks s GLN 10 CO -0.07 -0.15 2.56 -0.11 -1.32 0.00 0.00 175.29 176.20 2dks n LEU 11 N 4.17 0.74 -4.59 2.60 7.94 -1.26 -4.65 117.00 121.96 2dks n LEU 11 Ca -0.23 0.16 -0.27 0.00 -1.11 0.00 0.00 56.01 54.56 2dks n LEU 11 Cb 0.55 -1.03 -0.11 0.00 0.53 0.00 0.00 43.42 43.36 2dks n LEU 11 CO 0.10 -0.85 -0.31 0.28 -1.11 0.00 0.00 177.39 175.50 2dks s THR 12 N 9.00 1.98 -0.03 1.96 -1.32 -1.00 -4.57 115.64 121.66 2dks s THR 12 Ca 1.27 -2.04 -0.01 0.00 -1.21 0.00 0.00 61.69 59.70 2dks s THR 12 Cb -1.11 -2.90 0.02 0.00 -1.51 0.00 0.00 72.50 67.00 2dks s THR 12 CO 0.48 -0.05 0.06 -0.63 -2.21 0.00 0.00 174.62 172.28 2dks s ILE 13 N -2.74 -0.03 -0.19 5.08 1.01 -1.26 -1.67 121.20 121.39 2dks s ILE 13 Ca 0.34 0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.12 2dks s ILE 13 Cb 0.08 -0.11 0.04 0.00 0.01 0.00 0.00 42.46 42.48 2dks s ILE 13 CO 0.17 0.05 -0.09 -0.70 0.00 0.00 0.00 174.94 174.37 2dks s GLU 14 N 0.66 1.92 0.26 2.79 2.12 -0.74 -4.81 118.70 120.90 2dks s GLU 14 Ca -0.05 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 2dks s GLU 14 Cb -0.07 -2.33 -0.11 0.00 0.26 0.00 0.00 34.13 31.88 2dks s GLU 14 CO -0.02 -0.42 1.56 0.00 -0.54 0.00 0.00 175.26 175.83 2dks s ALA 15 N 1.45 3.73 -0.21 6.30 0.00 -1.26 -2.35 121.76 129.41 2dks s ALA 15 Ca -0.01 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.40 2dks s ALA 15 Cb -0.16 -3.62 0.07 0.00 0.00 0.00 0.00 23.12 19.41 2dks s ALA 15 CO -0.08 -0.90 0.08 0.08 0.00 0.00 0.00 175.76 174.95 2dks s VAL 16 N 0.18 0.17 1.12 0.00 1.01 0.72 -2.83 120.40 120.77 2dks s VAL 16 Ca 0.64 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 2dks s VAL 16 Cb -0.46 -0.87 0.28 0.00 0.00 0.00 0.00 36.38 35.33 2dks s VAL 16 CO 0.44 -0.38 0.99 -0.81 0.00 0.00 0.00 175.10 175.34 2dks n PRO 17 N 5.17 -2.96 0.01 2.72 -0.04 -1.26 0.01 135.00 138.65 2dks n PRO 17 Ca -0.07 -1.58 -0.03 0.00 -0.04 0.00 0.00 63.50 61.78 2dks n PRO 17 Cb 0.47 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 2dks n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks n SER 18 N -4.70 0.80 -3.57 3.54 2.88 -1.13 -4.67 113.62 106.76 2dks n SER 18 Ca 0.14 0.36 -0.29 0.00 -1.33 0.00 0.00 58.87 57.75 2dks n SER 18 Cb 0.53 0.18 -0.12 0.00 -0.75 0.00 0.00 64.21 64.05 2dks n SER 18 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dks s ASN 19 N -5.83 3.09 0.64 -3.46 4.22 -1.26 -3.43 114.94 108.90 2dks s ASN 19 Ca -0.04 -2.57 -0.02 0.00 -2.14 0.00 0.00 52.86 48.09 2dks s ASN 19 Cb 0.08 -0.71 0.06 0.00 1.28 0.00 0.00 41.25 41.97 2dks s ASN 19 CO 0.82 -0.26 0.90 0.00 -2.04 0.00 0.00 177.10 176.52 2dks s ALA 20 N 0.52 3.59 0.50 3.54 0.00 -1.09 -4.88 121.76 123.94 2dks s ALA 20 Ca 0.20 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.94 2dks s ALA 20 Cb -0.18 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2dks s ALA 20 CO -0.03 -1.10 0.28 0.00 0.00 0.00 0.00 175.76 174.91 2dks s ALA 21 N -3.01 4.16 -0.07 0.00 0.00 -1.26 -1.20 121.76 120.38 2dks s ALA 21 Ca 0.60 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2dks s ALA 21 Cb -0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.43 2dks s ALA 21 CO 0.42 -0.29 1.95 -1.21 0.00 0.00 0.00 175.76 176.63 2dks s GLU 22 N -4.11 3.85 0.00 0.00 2.02 -1.21 -1.46 118.70 117.79 2dks s GLU 22 Ca 0.31 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.61 2dks s GLU 22 Cb -0.00 -4.18 0.00 0.00 0.10 0.00 0.00 34.13 30.05 2dks s GLU 22 CO 0.18 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.60 2dks n GLY 23 N 4.81 2.89 3.67 -1.39 0.00 0.86 -4.92 105.19 111.10 2dks n GLY 23 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2dks n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dks s LYS 24 N -0.46 -0.47 0.11 1.61 -0.14 -0.53 -3.27 119.74 116.58 2dks s LYS 24 Ca 0.00 0.03 0.08 0.00 -1.36 0.00 0.00 55.97 54.72 2dks s LYS 24 Cb 0.00 -1.67 -0.04 0.00 -1.68 0.00 0.00 37.83 34.44 2dks s LYS 24 CO 0.00 -3.23 -0.14 -1.21 -0.76 0.00 0.00 175.35 170.00 2dks s GLU 25 N -5.37 1.95 -0.18 1.68 2.02 -1.26 -0.98 118.70 116.56 2dks s GLU 25 Ca 0.70 -1.10 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 2dks s GLU 25 Cb -0.11 -2.20 0.05 0.00 0.10 0.00 0.00 34.13 31.97 2dks s GLU 25 CO 0.56 0.50 -0.00 0.08 0.02 0.00 0.00 175.26 176.41 2dks s VAL 26 N -1.16 0.80 -0.34 2.63 1.01 0.52 -4.34 120.40 119.52 2dks s VAL 26 Ca 0.19 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 2dks s VAL 26 Cb -0.11 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2dks s VAL 26 CO 0.11 -0.06 0.49 -0.22 0.00 0.00 0.00 175.10 175.42 2dks s LEU 27 N 1.75 4.31 -0.80 3.92 2.96 0.10 -1.09 118.68 129.83 2dks s LEU 27 Ca -0.01 0.01 -0.21 0.00 -0.22 0.00 0.00 54.13 53.71 2dks s LEU 27 Cb -0.16 -2.55 0.10 0.00 0.50 0.00 0.00 46.19 44.07 2dks s LEU 27 CO -0.07 -0.43 1.06 -0.76 -1.32 0.00 0.00 176.35 174.82 2dks s LEU 28 N 2.33 4.67 0.64 -0.68 1.43 -0.74 -0.20 118.68 126.13 2dks s LEU 28 Ca 0.18 -1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 51.62 2dks s LEU 28 Cb -0.16 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 2dks s LEU 28 CO 0.13 -1.26 1.09 -0.76 0.23 0.00 0.00 176.35 175.77 2dks s LEU 29 N 3.44 3.40 -0.12 1.79 1.43 -0.99 -3.20 118.68 124.43 2dks s LEU 29 Ca 0.28 1.91 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 2dks s LEU 29 Cb -0.11 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.59 2dks s LEU 29 CO -0.00 -1.48 -0.15 -0.69 0.23 0.00 0.00 176.35 174.26 2dks s VAL 30 N -2.44 1.53 0.29 -1.59 1.01 -1.26 -1.79 120.40 116.15 2dks s VAL 30 Ca 0.65 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.07 2dks s VAL 30 Cb -0.18 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2dks s VAL 30 CO 0.41 0.45 0.12 -1.00 0.00 0.00 0.00 175.10 175.08 2dks s HIS 31 N 1.14 2.84 -1.71 5.22 0.09 -0.67 -4.58 115.29 117.62 2dks s HIS 31 Ca -0.03 -0.24 -0.01 0.00 -0.00 0.00 0.00 55.06 54.78 2dks s HIS 31 Cb -0.14 -1.43 0.00 0.00 -0.00 0.00 0.00 32.58 31.01 2dks s HIS 31 CO -0.04 0.48 0.18 0.09 -0.00 0.00 0.00 174.74 175.44 2dks n ASN 32 N -1.09 -5.98 -4.47 1.40 3.02 -1.26 -2.38 115.26 104.50 2dks n ASN 32 Ca -0.05 -0.10 -0.32 0.00 -0.03 0.00 0.00 54.58 54.07 2dks n ASN 32 Cb 0.59 -4.92 0.14 0.00 -0.61 0.00 0.00 39.78 34.98 2dks n ASN 32 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2dks n LEU 33 N -3.29 0.53 0.00 3.41 4.77 -1.26 -4.03 117.00 117.12 2dks n LEU 33 Ca -0.21 0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 2dks n LEU 33 Cb 0.67 -1.26 0.05 0.00 -2.33 0.00 0.00 43.42 40.55 2dks n LEU 33 CO 0.34 -3.25 0.12 -0.81 -1.33 0.00 0.00 177.39 172.47 2dks n PRO 34 N -2.40 -1.46 -0.07 3.23 -0.04 -1.26 -5.02 135.00 127.97 2dks n PRO 34 Ca 0.08 -0.36 -0.12 0.00 -0.04 0.00 0.00 63.50 63.06 2dks n PRO 34 Cb 0.54 -0.33 -0.09 0.00 -0.04 0.00 0.00 33.50 33.58 2dks n PRO 34 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2dks h GLN 35 N 0.00 0.00 -2.77 0.54 3.07 -1.99 -3.43 115.11 110.53 2dks h GLN 35 Ca -0.08 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.06 2dks h GLN 35 Cb 0.26 0.00 -0.39 0.00 0.08 0.00 0.00 27.48 27.42 2dks h GLN 35 CO 0.05 0.68 -0.80 -0.51 0.09 0.00 0.00 178.83 178.35 2dks s ASP 36 N -6.18 3.18 -0.91 0.06 1.01 -1.26 -5.07 116.67 107.49 2dks s ASP 36 Ca -0.17 -2.57 -0.24 0.00 0.71 0.00 0.00 52.55 50.28 2dks s ASP 36 Cb 0.00 -0.75 -0.05 0.00 1.01 0.00 0.00 42.92 43.13 2dks s ASP 36 CO 0.47 -0.26 1.95 -2.16 0.21 0.00 0.00 175.17 175.38 2dks s PRO 37 N 0.51 2.55 0.60 8.23 0.04 -1.26 -1.84 135.00 143.83 2dks s PRO 37 Ca 0.20 -0.33 0.28 0.00 0.04 0.00 0.00 61.00 61.19 2dks s PRO 37 Cb -0.19 -5.07 1.15 0.00 0.04 0.00 0.00 34.50 30.43 2dks s PRO 37 CO -0.03 -3.41 1.55 -0.09 0.04 0.00 0.00 177.00 175.06 2dks h ARG 38 N 11.22 0.00 0.00 4.56 2.43 0.27 -3.41 114.38 129.45 2dks h ARG 38 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2dks h ARG 38 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2dks h ARG 38 CO 1.21 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 180.08 2dks n GLY 39 N -1.62 2.08 3.91 2.80 0.00 -1.16 -2.30 105.19 108.90 2dks n GLY 39 Ca 0.17 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2dks n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dks s TYR 40 N -1.87 3.50 -0.15 1.61 2.02 0.90 -1.44 117.35 121.92 2dks s TYR 40 Ca 0.00 0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 57.05 2dks s TYR 40 Cb 0.00 -1.87 0.07 0.00 -0.40 0.00 0.00 41.96 39.76 2dks s TYR 40 CO 0.00 0.51 0.22 -0.80 -1.57 0.00 0.00 175.55 173.91 2dks s ASN 41 N -2.53 0.88 0.22 2.29 0.01 0.62 -0.74 114.94 115.69 2dks s ASN 41 Ca 0.38 0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.75 2dks s ASN 41 Cb -0.12 0.47 -0.03 0.00 0.41 0.00 0.00 41.25 41.98 2dks s ASN 41 CO 0.27 -0.28 0.35 0.26 -1.51 0.00 0.00 177.10 176.18 2dks s TRP 42 N 2.35 3.46 0.23 2.20 0.52 -0.71 0.78 118.94 127.77 2dks s TRP 42 Ca 0.04 0.03 -0.11 0.00 0.02 0.00 0.00 56.10 56.08 2dks s TRP 42 Cb -0.14 -1.60 -0.01 0.00 -1.15 0.00 0.00 33.47 30.57 2dks s TRP 42 CO -0.10 0.45 0.41 0.71 0.02 0.00 0.00 176.95 178.44 2dks s TYR 43 N -1.93 0.45 -0.32 -1.98 1.51 0.15 -1.97 117.35 113.26 2dks s TYR 43 Ca 0.34 -0.79 -0.06 0.00 -1.01 0.00 0.00 57.07 55.55 2dks s TYR 43 Cb -0.10 0.07 0.03 0.00 -0.11 0.00 0.00 41.96 41.85 2dks s TYR 43 CO 0.29 -0.91 0.08 0.21 -1.11 0.00 0.00 175.55 174.12 2dks s LYS 44 N -4.02 2.79 0.00 -0.62 2.20 0.55 -2.65 119.74 117.98 2dks s LYS 44 Ca 0.23 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 2dks s LYS 44 Cb 0.01 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2dks s LYS 44 CO 0.08 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 2dks n GLY 45 N 4.82 0.17 1.98 5.54 0.00 0.21 -4.71 105.19 113.20 2dks n GLY 45 Ca -0.13 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.54 2dks n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dks n GLU 46 N 0.00 3.13 -3.79 1.61 1.02 -1.26 -2.23 120.64 119.11 2dks n GLU 46 Ca 0.00 -3.81 -0.13 0.00 -0.02 0.00 0.00 57.16 53.20 2dks n GLU 46 Cb 0.00 -2.22 -0.09 0.00 -0.02 0.00 0.00 31.44 29.11 2dks n GLU 46 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dks s THR 47 N -4.48 0.06 -0.94 2.62 -4.23 -1.26 -5.04 115.64 102.36 2dks s THR 47 Ca 0.54 -0.46 -0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2dks s THR 47 Cb 0.44 -0.54 0.32 0.00 1.34 0.00 0.00 72.50 74.05 2dks s THR 47 CO 0.02 -0.25 1.59 0.52 -0.54 0.00 0.00 174.62 175.96 2dks n VAL 48 N 1.55 5.36 -4.08 2.29 0.31 -1.26 -4.64 118.33 117.86 2dks n VAL 48 Ca -0.21 -5.89 -0.34 0.00 -0.01 0.00 0.00 64.34 57.90 2dks n VAL 48 Cb 0.56 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.81 2dks n VAL 48 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dks s ASP 49 N -1.83 5.81 0.48 4.52 2.15 -1.26 -4.99 116.67 121.55 2dks s ASP 49 Ca 0.40 0.21 0.19 0.00 0.43 0.00 0.00 52.55 53.78 2dks s ASP 49 Cb 0.19 -1.72 1.21 0.00 -0.30 0.00 0.00 42.92 42.30 2dks s ASP 49 CO -0.10 0.30 1.99 0.00 -0.17 0.00 0.00 175.17 177.19 2dks h ALA 50 N 4.30 2.24 -0.75 3.66 0.00 -1.96 -0.41 119.26 126.34 2dks h ALA 50 Ca -0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2dks h ALA 50 Cb 1.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2dks h ALA 50 CO 0.62 -0.39 0.25 -0.91 0.00 0.00 0.00 179.25 178.82 2dks h ASN 51 N 0.20 1.09 -0.53 0.00 2.35 -2.00 -2.28 115.58 114.41 2dks h ASN 51 Ca 0.26 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2dks h ASN 51 Cb 0.76 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2dks h ASN 51 CO -0.05 1.00 0.00 0.54 -1.65 0.00 0.00 177.43 177.28 2dks n ARG 52 N -4.26 3.46 -2.37 0.81 5.12 -0.27 -4.43 116.66 114.72 2dks n ARG 52 Ca 0.06 -2.42 -0.43 0.00 -1.93 0.00 0.00 57.85 53.14 2dks n ARG 52 Cb 0.22 -1.86 -0.02 0.00 -1.16 0.00 0.00 32.46 29.64 2dks n ARG 52 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2dks s ARG 53 N -1.92 3.84 -0.06 5.56 3.52 -0.54 -0.33 118.95 129.02 2dks s ARG 53 Ca 0.43 1.25 -0.14 0.00 -0.13 0.00 0.00 55.73 57.14 2dks s ARG 53 Cb 0.29 -3.92 -0.10 0.00 -1.56 0.00 0.00 34.95 29.66 2dks s ARG 53 CO 0.19 -1.21 0.57 0.82 -0.81 0.00 0.00 175.30 174.86 2dks h ILE 54 N 6.06 0.37 -1.82 4.11 2.04 -1.65 -3.19 117.51 123.43 2dks h ILE 54 Ca -0.27 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.64 2dks h ILE 54 Cb 1.11 0.63 -0.23 0.00 -0.74 0.00 0.00 36.82 37.59 2dks h ILE 54 CO 1.04 0.10 0.28 -0.51 0.00 0.00 0.00 178.15 179.06 2dks s ILE 55 N -2.89 0.00 -0.07 -0.67 2.07 -1.24 -1.22 121.20 117.18 2dks s ILE 55 Ca -0.08 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2dks s ILE 55 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.60 2dks s ILE 55 CO 0.28 0.00 -0.18 -0.83 -1.91 0.00 0.00 174.94 172.31 2dks s GLY 56 N 0.33 1.01 -0.03 1.50 0.00 -0.95 -1.74 107.32 107.44 2dks s GLY 56 Ca 0.01 -0.70 0.06 0.00 0.00 0.00 0.00 44.72 44.10 2dks s GLY 56 CO -0.03 -0.22 -0.23 -0.47 0.00 0.00 0.00 173.10 172.16 2dks s TYR 57 N 0.30 2.09 -0.23 1.90 5.04 0.09 -0.86 117.35 125.69 2dks s TYR 57 Ca -0.11 -0.48 -0.05 0.00 -2.44 0.00 0.00 57.07 53.99 2dks s TYR 57 Cb -0.15 -1.36 -0.01 0.00 0.35 0.00 0.00 41.96 40.79 2dks s TYR 57 CO 0.05 -0.09 -0.01 0.08 -1.34 0.00 0.00 175.55 174.23 2dks s VAL 58 N -0.37 3.57 0.23 3.14 1.01 0.25 -0.07 120.40 128.16 2dks s VAL 58 Ca 0.04 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.64 2dks s VAL 58 Cb -0.10 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 2dks s VAL 58 CO 0.01 0.38 1.52 0.40 0.00 0.00 0.00 175.10 177.41 2dks h ILE 59 N 5.70 1.48 -0.23 2.22 2.04 -1.69 0.90 117.51 127.93 2dks h ILE 59 Ca -0.40 -2.34 -0.06 0.00 1.00 0.00 0.00 64.86 63.06 2dks h ILE 59 Cb 1.16 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 2dks h ILE 59 CO 0.60 0.67 -0.08 -1.28 0.00 0.00 0.00 178.15 178.06 2dks h SER 60 N 0.05 0.47 -0.52 1.72 0.87 -1.84 -3.17 113.55 111.12 2dks h SER 60 Ca -0.01 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2dks h SER 60 Cb 1.25 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dks h SER 60 CO 0.10 0.75 0.00 -3.20 -0.53 0.00 0.00 176.83 173.95 2dks n ASN 61 N -4.55 3.61 -3.81 6.23 5.15 -1.22 -4.97 115.26 115.71 2dks n ASN 61 Ca -0.04 -2.13 -0.25 0.00 -0.60 0.00 0.00 54.58 51.55 2dks n ASN 61 Cb 0.31 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 39.10 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dks n GLN 62 N 0.93 -0.91 -4.30 1.20 6.02 0.31 -4.89 117.38 115.74 2dks n GLN 62 Ca 0.19 0.08 -0.27 0.00 -0.01 0.00 0.00 57.00 56.98 2dks n GLN 62 Cb 0.59 -2.88 -0.10 0.00 1.02 0.00 0.00 30.24 28.88 2dks n GLN 62 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2dks s GLN 63 N -6.03 2.01 -0.10 -1.09 0.74 -0.79 -4.92 119.66 109.47 2dks s GLN 63 Ca 0.18 -1.27 0.01 0.00 0.05 0.00 0.00 55.36 54.34 2dks s GLN 63 Cb -0.11 -2.14 0.02 0.00 1.10 0.00 0.00 33.01 31.88 2dks s GLN 63 CO 0.74 0.44 -0.13 0.42 -0.55 0.00 0.00 175.29 176.21 2dks s ILE 64 N -1.64 1.35 -0.34 -2.34 1.01 -1.26 -0.59 121.20 117.39 2dks s ILE 64 Ca 0.24 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2dks s ILE 64 Cb -0.09 -1.25 0.11 0.00 0.01 0.00 0.00 42.46 41.23 2dks s ILE 64 CO 0.14 0.41 0.11 -0.89 0.00 0.00 0.00 174.94 174.72 2dks s THR 65 N 1.10 1.24 0.60 2.92 2.01 -0.04 -5.02 115.64 118.45 2dks s THR 65 Ca -0.05 -1.78 -0.17 0.00 0.31 0.00 0.00 61.69 60.00 2dks s THR 65 Cb -0.14 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 2dks s THR 65 CO -0.03 -0.70 1.12 -2.16 -0.69 0.00 0.00 174.62 172.16 2dks s PRO 66 N 1.27 3.07 0.00 4.92 0.04 -1.26 -2.23 135.00 140.80 2dks s PRO 66 Ca 0.11 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2dks s PRO 66 Cb -0.19 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2dks s PRO 66 CO -0.18 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.22 2dks n GLY 67 N -0.20 2.68 0.18 0.56 0.00 -0.36 -4.91 105.19 103.14 2dks n GLY 67 Ca 0.11 -2.14 0.03 0.00 0.00 0.00 0.00 46.02 44.02 2dks n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks h PRO 68 N 0.00 0.00 -0.98 1.61 0.13 -1.82 -2.93 132.00 128.00 2dks h PRO 68 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2dks h PRO 68 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2dks h PRO 68 CO 0.00 0.41 0.14 0.00 -0.23 0.00 0.00 178.00 178.32 2dks n ALA 69 N -2.39 3.24 -2.75 -0.56 0.00 -1.21 -4.83 120.51 112.01 2dks n ALA 69 Ca -0.01 -0.72 -0.33 0.00 0.00 0.00 0.00 53.44 52.38 2dks n ALA 69 Cb 0.47 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 2dks n ALA 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2dks s TYR 70 N -0.97 2.89 -0.11 0.00 5.04 -1.11 -4.59 117.35 118.50 2dks s TYR 70 Ca 0.15 -0.21 0.15 0.00 -2.44 0.00 0.00 57.07 54.72 2dks s TYR 70 Cb 0.12 -1.78 0.25 0.00 0.35 0.00 0.00 41.96 40.90 2dks s TYR 70 CO 0.03 0.12 1.13 0.45 -1.34 0.00 0.00 175.55 175.93 2dks n SER 71 N 2.79 1.88 -3.41 4.32 2.88 -1.26 -4.97 113.62 115.86 2dks n SER 71 Ca -0.18 -2.93 -0.24 0.00 -1.33 0.00 0.00 58.87 54.20 2dks n SER 71 Cb 0.53 -0.39 0.06 0.00 -0.75 0.00 0.00 64.21 63.65 2dks n SER 71 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dks n ASN 72 N -1.14 -6.17 0.00 -3.46 3.02 -1.26 -4.85 115.26 101.39 2dks n ASN 72 Ca 0.13 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 2dks n ASN 72 Cb 0.66 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dks n ARG 73 N -4.62 2.25 -3.65 3.52 1.74 -1.26 -5.05 116.66 109.59 2dks n ARG 73 Ca -0.03 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.70 2dks n ARG 73 Cb 0.58 -0.87 -0.05 0.00 -1.02 0.00 0.00 32.46 31.10 2dks n ARG 73 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dks s GLU 74 N -1.60 3.69 -0.04 5.56 8.01 -1.26 -3.33 118.70 129.73 2dks s GLU 74 Ca 0.00 0.08 0.01 0.00 0.01 0.00 0.00 54.97 55.07 2dks s GLU 74 Cb 0.00 -3.04 0.02 0.00 -4.31 0.00 0.00 34.13 26.80 2dks s GLU 74 CO 0.00 0.60 -0.05 0.99 0.01 0.00 0.00 175.26 176.81 2dks s THR 75 N -1.35 0.56 0.82 3.63 2.01 -0.97 -4.96 115.64 115.38 2dks s THR 75 Ca 0.31 -0.17 -0.12 0.00 0.31 0.00 0.00 61.69 62.01 2dks s THR 75 Cb -0.14 -0.56 0.08 0.00 0.01 0.00 0.00 72.50 71.89 2dks s THR 75 CO 0.17 0.22 1.13 -0.63 -0.69 0.00 0.00 174.62 174.81 2dks s ILE 76 N 0.67 2.60 0.14 1.82 1.09 -1.26 -0.58 121.20 125.68 2dks s ILE 76 Ca -0.09 0.20 0.03 0.00 -1.10 0.00 0.00 60.65 59.68 2dks s ILE 76 Cb -0.12 -3.04 -0.04 0.00 -1.06 0.00 0.00 42.46 38.19 2dks s ILE 76 CO 0.00 -0.26 -0.06 -0.31 -0.10 0.00 0.00 174.94 174.22 2dks s TYR 77 N -3.32 1.11 -2.00 3.97 1.51 0.18 -4.84 117.35 113.95 2dks s TYR 77 Ca 0.61 -0.89 0.11 0.00 -1.01 0.00 0.00 57.07 55.90 2dks s TYR 77 Cb -0.13 -0.61 0.66 0.00 -0.11 0.00 0.00 41.96 41.77 2dks s TYR 77 CO 0.52 -0.08 1.09 -0.35 -1.11 0.00 0.00 175.55 175.62 2dks n PRO 78 N -0.15 0.49 -0.46 -1.71 -0.04 -1.26 -2.14 135.00 129.73 2dks n PRO 78 Ca -0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.43 2dks n PRO 78 Cb 0.61 -1.35 0.15 0.00 -0.04 0.00 0.00 33.50 32.87 2dks n PRO 78 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dks n ASN 79 N -0.85 1.76 -1.55 3.54 0.23 -1.26 -4.95 115.26 112.18 2dks n ASN 79 Ca 0.08 -3.25 -0.16 0.00 -0.53 0.00 0.00 54.58 50.72 2dks n ASN 79 Cb 0.04 -0.44 -0.03 0.00 -2.08 0.00 0.00 39.78 37.26 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dks n ALA 80 N -1.01 -0.37 -2.80 -2.53 0.00 -0.91 -4.30 120.51 108.60 2dks n ALA 80 Ca 0.15 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 2dks n ALA 80 Cb 0.71 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 2dks n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dks s SER 81 N -2.53 5.71 -0.13 0.00 0.01 -1.25 -4.69 113.70 110.82 2dks s SER 81 Ca 0.00 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.39 2dks s SER 81 Cb 0.00 -1.62 0.01 0.00 0.21 0.00 0.00 66.02 64.63 2dks s SER 81 CO 0.00 0.22 -0.20 -0.22 0.41 0.00 0.00 173.24 173.45 2dks s LEU 82 N -2.07 1.99 -0.39 2.44 2.96 -1.19 0.47 118.68 122.89 2dks s LEU 82 Ca 0.27 -0.55 -0.18 0.00 -0.22 0.00 0.00 54.13 53.45 2dks s LEU 82 Cb -0.12 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.24 2dks s LEU 82 CO 0.19 0.06 0.47 -0.22 -1.32 0.00 0.00 176.35 175.53 2dks s LEU 83 N 0.85 4.60 -0.42 -0.68 2.96 0.25 -1.80 118.68 124.44 2dks s LEU 83 Ca -0.07 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.27 2dks s LEU 83 Cb -0.15 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 44.08 2dks s LEU 83 CO -0.01 -0.54 0.49 -0.32 -1.32 0.00 0.00 176.35 174.65 2dks s MET 84 N 2.28 3.16 0.33 1.98 -2.45 -0.25 -2.29 119.30 122.06 2dks s MET 84 Ca 0.15 -0.64 0.01 0.00 -1.25 0.00 0.00 55.69 53.96 2dks s MET 84 Cb -0.16 -3.96 -0.03 0.00 1.25 0.00 0.00 34.83 31.93 2dks s MET 84 CO 0.14 -0.89 0.53 1.03 1.05 0.00 0.00 175.02 176.88 2dks s ARG 85 N 2.33 3.49 -1.39 4.11 0.52 -1.21 -0.35 118.95 126.44 2dks s ARG 85 Ca 0.15 -0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2dks s ARG 85 Cb -0.16 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.63 2dks s ARG 85 CO 0.15 0.18 0.51 0.09 0.02 0.00 0.00 175.30 176.25 2dks n ASN 86 N -1.69 -0.66 -4.67 0.23 3.02 -1.03 -4.90 115.26 105.55 2dks n ASN 86 Ca -0.05 -0.95 -0.31 0.00 -0.03 0.00 0.00 54.58 53.24 2dks n ASN 86 Cb 0.56 -3.33 0.16 0.00 -0.61 0.00 0.00 39.78 36.56 2dks n ASN 86 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2dks s VAL 87 N -3.86 2.31 0.28 2.41 -7.23 -0.16 -4.48 120.40 109.67 2dks s VAL 87 Ca 0.03 0.10 -0.08 0.00 -1.81 0.00 0.00 61.98 60.22 2dks s VAL 87 Cb -0.02 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 2dks s VAL 87 CO 0.87 -0.13 0.44 0.42 -0.31 0.00 0.00 175.10 176.39 2dks s THR 88 N -2.69 0.00 0.20 5.32 -4.23 -1.26 -0.10 115.64 112.89 2dks s THR 88 Ca 0.66 -1.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.52 2dks s THR 88 Cb -0.22 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.36 2dks s THR 88 CO 0.58 0.00 1.87 0.03 -0.54 0.00 0.00 174.62 176.57 2dks h ARG 89 N 2.25 0.94 -0.06 3.99 3.08 -1.95 -2.82 114.38 119.80 2dks h ARG 89 Ca -0.28 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.72 2dks h ARG 89 Cb 1.25 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2dks h ARG 89 CO 0.39 0.62 -0.00 -2.95 -1.07 0.00 0.00 179.97 176.96 2dks h ASN 90 N 0.96 -0.02 -1.75 7.04 -1.07 -1.97 -2.10 115.58 116.68 2dks h ASN 90 Ca 0.26 0.01 0.53 0.00 0.07 0.00 0.00 56.30 57.18 2dks h ASN 90 Cb -0.10 0.02 -0.10 0.00 -2.07 0.00 0.00 38.32 36.07 2dks h ASN 90 CO -0.06 -0.00 1.22 0.44 0.07 0.00 0.00 177.43 179.09 2dks h ASP 91 N 0.02 0.08 -1.90 6.14 3.32 -1.90 -3.39 116.42 118.77 2dks h ASP 91 Ca 0.03 0.06 -0.65 0.00 0.02 0.00 0.00 57.03 56.49 2dks h ASP 91 Cb 0.03 0.06 0.03 0.00 0.22 0.00 0.00 39.33 39.67 2dks h ASP 91 CO -0.05 -0.10 0.88 0.41 -1.72 0.00 0.00 179.24 178.67 2dks n THR 92 N -4.24 0.30 0.00 0.35 -1.04 -0.79 -4.66 114.28 104.19 2dks n THR 92 Ca 0.43 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 2dks n THR 92 Cb 1.84 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 2dks n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dks n GLY 93 N 3.84 -0.36 3.08 3.41 0.00 -1.26 -5.07 105.19 108.83 2dks n GLY 93 Ca 0.22 0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 2dks n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks s SER 94 N -4.00 1.09 -0.22 1.61 0.01 -1.26 -4.57 113.70 106.37 2dks s SER 94 Ca 0.00 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.73 2dks s SER 94 Cb 0.00 -0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.31 2dks s SER 94 CO 0.00 -0.11 0.21 -0.31 0.41 0.00 0.00 173.24 173.43 2dks s TYR 95 N -1.13 -0.19 0.12 2.43 1.51 -1.16 0.66 117.35 119.59 2dks s TYR 95 Ca -0.05 -0.00 -0.23 0.00 -1.01 0.00 0.00 57.07 55.77 2dks s TYR 95 Cb -0.09 -0.47 -0.07 0.00 -0.11 0.00 0.00 41.96 41.22 2dks s TYR 95 CO 0.01 -0.65 0.69 0.99 -1.11 0.00 0.00 175.55 175.48 2dks s THR 96 N 2.29 4.55 -0.29 -0.71 2.01 -0.95 -1.79 115.64 120.75 2dks s THR 96 Ca 0.07 1.50 0.01 0.00 0.31 0.00 0.00 61.69 63.58 2dks s THR 96 Cb -0.16 -4.04 0.09 0.00 0.01 0.00 0.00 72.50 68.40 2dks s THR 96 CO -0.17 0.52 0.04 -0.22 -0.69 0.00 0.00 174.62 174.11 2dks s LEU 97 N -1.03 2.93 0.01 4.42 1.98 -0.94 0.31 118.68 126.37 2dks s LEU 97 Ca 0.33 -1.61 -0.19 0.00 -2.89 0.00 0.00 54.13 49.77 2dks s LEU 97 Cb -0.21 -1.13 -0.06 0.00 0.66 0.00 0.00 46.19 45.45 2dks s LEU 97 CO 0.23 -0.36 0.53 -1.58 -1.89 0.00 0.00 176.35 173.29 2dks s GLN 98 N 1.39 4.20 -0.11 1.98 0.74 0.23 -3.02 119.66 125.08 2dks s GLN 98 Ca 0.06 0.64 0.03 0.00 0.05 0.00 0.00 55.36 56.13 2dks s GLN 98 Cb -0.18 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 30.65 2dks s GLN 98 CO -0.15 0.51 -0.20 0.08 -0.55 0.00 0.00 175.29 174.99 2dks s VAL 99 N -0.62 1.78 0.01 1.34 1.01 -1.12 -0.28 120.40 122.53 2dks s VAL 99 Ca 0.28 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2dks s VAL 99 Cb -0.18 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2dks s VAL 99 CO 0.16 0.50 0.29 -0.63 0.00 0.00 0.00 175.10 175.42 2dks s ILE 100 N 0.67 5.26 0.09 2.22 1.09 -0.52 0.16 121.20 130.19 2dks s ILE 100 Ca -0.12 0.24 0.07 0.00 -1.10 0.00 0.00 60.65 59.74 2dks s ILE 100 Cb -0.16 -3.58 -0.04 0.00 -1.06 0.00 0.00 42.46 37.62 2dks s ILE 100 CO 0.03 0.37 -0.13 -0.54 -0.10 0.00 0.00 174.94 174.56 2dks s LYS 101 N -1.73 2.04 0.45 2.79 3.01 -0.42 0.23 119.74 126.11 2dks s LYS 101 Ca 0.28 -1.05 0.18 0.00 -1.01 0.00 0.00 55.97 54.37 2dks s LYS 101 Cb -0.13 -2.24 0.97 0.00 -1.01 0.00 0.00 37.83 35.42 2dks s LYS 101 CO 0.16 0.51 1.48 -0.07 0.51 0.00 0.00 175.35 177.94 2dks h LEU 102 N 3.84 0.00 -0.24 3.17 -0.00 -1.70 0.40 115.31 120.78 2dks h LEU 102 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 2dks h LEU 102 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2dks h LEU 102 CO 0.50 0.00 0.00 -3.20 -0.00 0.00 0.00 178.44 175.74 2dks n ASN 103 N -2.33 0.24 -2.42 -0.43 5.15 -1.26 -4.83 115.26 109.38 2dks n ASN 103 Ca -0.01 -2.00 -0.17 0.00 -0.60 0.00 0.00 54.58 51.80 2dks n ASN 103 Cb 0.37 -0.12 0.04 0.00 -0.53 0.00 0.00 39.78 39.53 2dks n ASN 103 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2dks n LEU 104 N -0.38 -2.56 -4.65 1.20 4.77 0.14 -5.02 117.00 110.49 2dks n LEU 104 Ca 0.00 -0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.43 2dks n LEU 104 Cb 0.06 -2.34 -0.10 0.00 -2.33 0.00 0.00 43.42 38.71 2dks n LEU 104 CO 0.00 0.26 -0.27 -0.04 -1.33 0.00 0.00 177.39 176.01 2dks s MET 105 N -5.55 2.02 -0.04 3.23 -1.94 -1.14 -4.96 119.30 110.94 2dks s MET 105 Ca 0.28 -2.13 -0.03 0.00 -1.71 0.00 0.00 55.69 52.10 2dks s MET 105 Cb -0.12 -1.66 0.02 0.00 2.01 0.00 0.00 34.83 35.08 2dks s MET 105 CO 0.35 -0.11 0.09 -1.54 -0.01 0.00 0.00 175.02 173.80 2dks s SER 106 N -3.76 -0.08 0.51 3.03 1.04 -1.26 -1.29 113.70 111.89 2dks s SER 106 Ca 0.31 0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.98 2dks s SER 106 Cb 0.08 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2dks s SER 106 CO 0.16 -0.06 0.32 -1.61 0.98 0.00 0.00 173.24 173.03 2dks s GLU 107 N 0.36 2.26 -0.04 4.02 0.41 0.12 -4.93 118.70 120.92 2dks s GLU 107 Ca -0.03 -2.01 -0.09 0.00 -0.41 0.00 0.00 54.97 52.44 2dks s GLU 107 Cb -0.04 -2.03 0.01 0.00 -1.78 0.00 0.00 34.13 30.29 2dks s GLU 107 CO -0.01 -0.49 0.20 -1.21 -0.49 0.00 0.00 175.26 173.27 2dks s GLU 108 N -4.17 0.42 -0.29 1.61 8.01 -1.26 -2.80 118.70 120.22 2dks s GLU 108 Ca 0.32 -0.06 -0.05 0.00 0.01 0.00 0.00 54.97 55.19 2dks s GLU 108 Cb -0.01 0.19 0.16 0.00 -4.31 0.00 0.00 34.13 30.16 2dks s GLU 108 CO 0.20 -0.09 0.59 0.54 0.01 0.00 0.00 175.26 176.51 2dks s VAL 109 N -0.74 -0.96 -0.63 2.63 0.11 -1.17 -4.79 120.40 114.86 2dks s VAL 109 Ca -0.08 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.69 2dks s VAL 109 Cb -0.05 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2dks s VAL 109 CO 0.02 -0.00 1.23 -0.89 -3.33 0.00 0.00 175.10 172.12 2dks s THR 110 N 2.84 3.91 -0.26 5.04 2.01 -1.26 -2.22 115.64 125.71 2dks s THR 110 Ca 0.09 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.85 2dks s THR 110 Cb -0.14 -4.77 0.07 0.00 0.01 0.00 0.00 72.50 67.67 2dks s THR 110 CO -0.19 -1.49 -0.01 -0.83 -0.69 0.00 0.00 174.62 171.40 2dks s GLY 111 N 3.27 1.29 0.31 4.40 0.00 -0.74 -4.69 107.32 111.16 2dks s GLY 111 Ca 0.41 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.66 2dks s GLY 111 CO 0.22 1.06 0.07 0.61 0.00 0.00 0.00 173.10 175.07 2dks n GLN 112 N 4.67 0.81 -2.88 2.90 10.64 -1.26 -4.06 117.38 128.20 2dks n GLN 112 Ca -0.08 -2.47 -0.08 0.00 -1.83 0.00 0.00 57.00 52.54 2dks n GLN 112 Cb 0.44 1.15 -0.02 0.00 -0.86 0.00 0.00 30.24 30.95 2dks n GLN 112 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2dks n PHE 113 N -0.71 -1.01 -4.27 2.61 -1.74 -1.26 -4.45 117.46 106.62 2dks n PHE 113 Ca -0.07 -1.28 -0.18 0.00 -0.56 0.00 0.00 57.45 55.36 2dks n PHE 113 Cb 0.44 0.31 -0.13 0.00 1.52 0.00 0.00 39.48 41.61 2dks n PHE 113 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2dks s SER 114 N -2.19 1.33 -0.03 5.98 0.01 -1.22 -4.09 113.70 113.49 2dks s SER 114 Ca 0.16 -0.41 0.06 0.00 1.31 0.00 0.00 55.95 57.07 2dks s SER 114 Cb -0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 2dks s SER 114 CO 0.11 -0.00 -0.22 -0.69 0.41 0.00 0.00 173.24 172.85 2dks s VAL 115 N -0.82 1.75 -0.01 3.43 1.01 -1.26 -2.66 120.40 121.84 2dks s VAL 115 Ca -0.01 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.10 2dks s VAL 115 Cb -0.07 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2dks s VAL 115 CO 0.01 0.49 -0.16 -1.38 0.00 0.00 0.00 175.10 174.06 2dks s HIS 116 N -0.34 1.46 -1.18 5.22 -3.43 -0.34 -4.66 115.29 112.02 2dks s HIS 116 Ca 0.04 -0.28 -0.23 0.00 -0.80 0.00 0.00 55.06 53.79 2dks s HIS 116 Cb -0.10 -0.94 -0.09 0.00 -1.43 0.00 0.00 32.58 30.02 2dks s HIS 116 CO 0.01 -0.03 1.93 -1.25 -2.00 0.00 0.00 174.74 173.40 2dks s PRO 117 N -0.37 2.49 -1.71 -0.38 0.04 -1.26 -3.34 135.00 130.48 2dks s PRO 117 Ca 0.06 -1.15 -0.17 0.00 0.04 0.00 0.00 61.00 59.77 2dks s PRO 117 Cb -0.06 -5.24 0.17 0.00 0.04 0.00 0.00 34.50 29.41 2dks s PRO 117 CO -0.01 -3.98 0.43 -1.91 0.04 0.00 0.00 177.00 171.58 2dks n GLU 118 N 8.29 -0.78 -3.66 4.56 2.13 -1.26 -4.89 120.64 125.04 2dks n GLU 118 Ca 0.45 0.12 -0.10 0.00 0.66 0.00 0.00 57.16 58.29 2dks n GLU 118 Cb 0.47 -4.20 -0.10 0.00 0.27 0.00 0.00 31.44 27.87 2dks n GLU 118 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2dks s THR 119 N -3.40 -0.56 1.07 6.31 -4.23 -1.26 -5.15 115.64 108.42 2dks s THR 119 Ca 0.61 0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 61.16 2dks s THR 119 Cb -0.35 -0.61 0.23 0.00 1.34 0.00 0.00 72.50 73.10 2dks s THR 119 CO 0.97 0.08 1.10 -2.16 -0.54 0.00 0.00 174.62 174.06 2dks s PRO 120 N 2.50 -0.18 -0.02 3.99 0.04 -1.26 -4.81 135.00 135.27 2dks s PRO 120 Ca -0.01 0.31 -0.03 0.00 0.04 0.00 0.00 61.00 61.30 2dks s PRO 120 Cb -0.12 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2dks s PRO 120 CO -0.12 -3.09 0.07 -1.59 0.04 0.00 0.00 177.00 172.31 2dks s LYS 121 N -5.11 0.17 0.71 4.56 -2.85 -1.26 -5.11 119.74 110.86 2dks s LYS 121 Ca 0.67 -0.05 -0.13 0.00 -1.00 0.00 0.00 55.97 55.46 2dks s LYS 121 Cb -0.16 0.07 0.03 0.00 -2.06 0.00 0.00 37.83 35.71 2dks s LYS 121 CO 0.57 -0.03 1.10 -1.25 0.10 0.00 0.00 175.35 175.84 2dks s PRO 122 N -0.34 2.54 -0.45 1.78 0.04 -1.26 -4.99 135.00 132.32 2dks s PRO 122 Ca -0.04 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.05 2dks s PRO 122 Cb -0.03 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2dks s PRO 122 CO 0.00 -1.44 0.78 0.45 0.04 0.00 0.00 177.00 176.83 2dks s SER 123 N -2.97 6.40 -0.26 6.66 0.15 -1.26 -5.03 113.70 117.39 2dks s SER 123 Ca 0.64 -0.14 -0.12 0.00 0.70 0.00 0.00 55.95 57.03 2dks s SER 123 Cb -0.19 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 2dks s SER 123 CO 0.48 -0.91 0.22 -0.51 1.20 0.00 0.00 173.24 173.73 2dks s ILE 124 N 3.26 5.29 -0.67 6.45 1.10 -1.26 -5.04 121.20 130.34 2dks s ILE 124 Ca 0.29 0.27 -0.27 0.00 -0.51 0.00 0.00 60.65 60.43 2dks s ILE 124 Cb -0.12 -3.56 0.03 0.00 0.15 0.00 0.00 42.46 38.95 2dks s ILE 124 CO 0.22 0.26 1.27 -0.44 -2.11 0.00 0.00 174.94 174.14 2dks s SER 125 N 1.52 6.24 0.00 4.50 0.01 -1.26 -4.89 113.70 119.82 2dks s SER 125 Ca 0.09 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2dks s SER 125 Cb -0.15 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2dks s SER 125 CO 0.09 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.63 2dks n GLY 126 N 5.27 2.79 3.58 3.44 0.00 -1.26 -5.09 105.19 113.91 2dks n GLY 126 Ca 0.06 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2dks n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dks s PRO 127 N -2.00 3.03 -0.19 1.61 0.04 -1.26 -4.85 135.00 131.37 2dks s PRO 127 Ca 0.00 0.97 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 2dks s PRO 127 Cb 0.00 -4.27 -0.19 0.00 0.04 0.00 0.00 34.50 30.08 2dks s PRO 127 CO 0.00 -2.24 0.29 1.03 0.04 0.00 0.00 177.00 176.13 2dks h SER 128 N 13.59 0.00 -3.65 6.66 0.87 -1.99 -3.45 113.55 125.58 2dks h SER 128 Ca -0.29 -0.56 -0.64 0.00 -1.23 0.00 0.00 61.79 59.06 2dks h SER 128 Cb 1.16 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.75 2dks h SER 128 CO 1.13 1.32 -0.80 -0.94 -0.53 0.00 0.00 176.83 177.00 2dks s SER 129 N -6.62 3.97 0.00 6.23 1.04 -1.26 -5.32 113.70 111.74 2dks s SER 129 Ca -0.25 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.00 2dks s SER 129 Cb 0.04 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.77 2dks s SER 129 CO 0.57 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.22