#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks h SER 2 N 0.00 -0.01 -2.97 1.61 0.87 -2.12 -3.44 113.55 107.49 2dks h SER 2 Ca 0.00 -0.61 -0.63 0.00 -1.23 0.00 0.00 61.79 59.32 2dks h SER 2 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 2dks h SER 2 CO 0.00 0.61 -0.38 -0.44 -0.53 0.00 0.00 176.83 176.09 2dks s SER 3 N -5.81 6.47 0.04 6.23 0.01 -1.26 -4.86 113.70 114.52 2dks s SER 3 Ca -0.17 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2dks s SER 3 Cb 0.00 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2dks s SER 3 CO 0.67 0.28 0.00 0.61 0.41 0.00 0.00 173.24 175.21 2dks n GLY 4 N 2.51 -0.62 3.69 3.44 0.00 -1.26 -5.11 105.19 107.83 2dks n GLY 4 Ca -0.16 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2dks n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dks s SER 5 N -2.00 7.03 0.08 1.61 0.15 -1.26 -5.03 113.70 114.29 2dks s SER 5 Ca 0.00 1.82 0.06 0.00 0.70 0.00 0.00 55.95 58.53 2dks s SER 5 Cb 0.00 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2dks s SER 5 CO 0.00 -0.60 -0.17 -0.55 1.20 0.00 0.00 173.24 173.12 2dks s SER 6 N 1.53 1.98 0.00 5.45 0.15 -1.26 -5.01 113.70 116.54 2dks s SER 6 Ca 0.56 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2dks s SER 6 Cb -0.25 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 2dks s SER 6 CO 0.22 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dks n GLY 7 N 1.24 1.21 2.83 9.45 0.00 -1.26 -5.07 105.19 113.59 2dks n GLY 7 Ca -0.20 -0.81 -0.51 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 -3.61 2.61 -2.24 -1.26 -4.89 114.28 104.89 2dks n THR 8 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2dks n THR 8 Cb 0.00 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 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 2.35 3.75 -0.28 6.98 0.00 -1.26 -5.09 121.76 128.22 2dks s ALA 9 Ca 0.80 -0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.17 2dks s ALA 9 Cb -1.14 -2.24 0.09 0.00 0.00 0.00 0.00 23.12 19.83 2dks s ALA 9 CO 0.62 0.56 0.80 1.14 0.00 0.00 0.00 175.76 178.88 2dks s GLN 10 N -1.59 0.67 -0.12 0.00 -2.07 -1.26 -5.12 119.66 110.17 2dks s GLN 10 Ca 0.28 0.96 -0.36 0.00 -1.82 0.00 0.00 55.36 54.42 2dks s GLN 10 Cb -0.14 0.24 -0.13 0.00 -1.09 0.00 0.00 33.01 31.88 2dks s GLN 10 CO 0.15 -0.11 1.79 -0.11 -1.32 0.00 0.00 175.29 175.69 2dks n LEU 11 N 3.33 3.00 -4.25 2.60 0.00 -1.26 -4.59 117.00 115.82 2dks n LEU 11 Ca -0.16 1.02 -0.16 0.00 0.00 0.00 0.00 56.01 56.71 2dks n LEU 11 Cb 0.57 -1.29 -0.09 0.00 0.00 0.00 0.00 43.42 42.61 2dks n LEU 11 CO 0.01 -0.24 -0.18 0.28 0.00 0.00 0.00 177.39 177.26 2dks s THR 12 N 3.47 0.04 -0.03 1.96 -1.32 -1.11 -4.82 115.64 113.83 2dks s THR 12 Ca 0.93 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.40 2dks s THR 12 Cb -0.82 -2.50 0.03 0.00 -1.51 0.00 0.00 72.50 67.69 2dks s THR 12 CO 0.55 0.00 0.03 -0.63 -2.21 0.00 0.00 174.62 172.36 2dks s ILE 13 N -3.78 -0.03 -0.25 5.08 1.01 -1.26 -1.53 121.20 120.45 2dks s ILE 13 Ca 0.39 0.26 -0.02 0.00 0.00 0.00 0.00 60.65 61.28 2dks s ILE 13 Cb 0.05 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.40 2dks s ILE 13 CO 0.20 0.13 -0.04 -0.70 0.00 0.00 0.00 174.94 174.52 2dks s GLU 14 N 1.40 2.91 0.29 2.79 2.12 -0.65 -4.81 118.70 122.75 2dks s GLU 14 Ca -0.05 -0.93 -0.29 0.00 0.36 0.00 0.00 54.97 54.06 2dks s GLU 14 Cb -0.13 -3.03 -0.10 0.00 0.26 0.00 0.00 34.13 31.13 2dks s GLU 14 CO -0.03 -0.39 1.40 0.00 -0.54 0.00 0.00 175.26 175.70 2dks s ALA 15 N 1.36 3.57 -0.19 6.30 0.00 -1.26 -1.88 121.76 129.66 2dks s ALA 15 Ca 0.01 1.33 -0.04 0.00 0.00 0.00 0.00 51.96 53.26 2dks s ALA 15 Cb -0.16 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.50 2dks s ALA 15 CO -0.04 -0.74 0.14 0.08 0.00 0.00 0.00 175.76 175.20 2dks s VAL 16 N -0.54 -0.18 1.08 0.00 1.01 0.71 -2.87 120.40 119.61 2dks s VAL 16 Ca 0.55 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 2dks s VAL 16 Cb -0.42 -0.64 0.23 0.00 0.00 0.00 0.00 36.38 35.55 2dks s VAL 16 CO 0.49 -0.29 1.10 -2.16 0.00 0.00 0.00 175.10 174.24 2dks s PRO 17 N 2.21 -0.20 0.34 2.72 0.04 -1.26 0.02 135.00 138.85 2dks s PRO 17 Ca 0.04 0.29 0.18 0.00 0.04 0.00 0.00 61.00 61.55 2dks s PRO 17 Cb -0.16 -1.68 0.39 0.00 0.04 0.00 0.00 34.50 33.08 2dks s PRO 17 CO -0.12 -3.11 1.59 1.03 0.04 0.00 0.00 177.00 176.43 2dks h SER 18 N -2.16 0.00 -2.06 6.66 0.87 -1.92 -3.43 113.55 111.52 2dks h SER 18 Ca -0.52 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.80 2dks h SER 18 Cb 1.32 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.96 2dks h SER 18 CO 0.50 0.41 -0.56 0.20 -0.53 0.00 0.00 176.83 176.85 2dks s ASN 19 N -6.40 0.91 0.46 6.23 0.01 -1.26 -3.63 114.94 111.26 2dks s ASN 19 Ca 0.02 -0.26 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 2dks s ASN 19 Cb 0.09 0.79 0.02 0.00 0.41 0.00 0.00 41.25 42.56 2dks s ASN 19 CO 0.71 -0.34 0.53 0.00 -1.51 0.00 0.00 177.10 176.49 2dks s ALA 20 N 2.45 4.40 0.22 0.60 0.00 -0.98 -4.92 121.76 123.53 2dks s ALA 20 Ca 0.10 -1.80 0.08 0.00 0.00 0.00 0.00 51.96 50.34 2dks s ALA 20 Cb -0.14 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2dks s ALA 20 CO -0.23 -0.40 0.06 0.00 0.00 0.00 0.00 175.76 175.19 2dks s ALA 21 N -2.50 3.31 0.07 0.00 0.00 -1.26 -0.91 121.76 120.47 2dks s ALA 21 Ca 0.52 -1.47 -0.37 0.00 0.00 0.00 0.00 51.96 50.64 2dks s ALA 21 Cb -0.06 -1.02 -0.18 0.00 0.00 0.00 0.00 23.12 21.86 2dks s ALA 21 CO 0.31 0.35 1.11 0.39 0.00 0.00 0.00 175.76 177.93 2dks n GLU 22 N -0.66 0.51 0.00 0.00 1.02 -1.25 0.11 120.64 120.36 2dks n GLU 22 Ca -0.08 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2dks n GLU 22 Cb 0.57 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2dks n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dks n GLY 23 N 1.92 3.20 3.86 0.62 0.00 -0.62 -4.92 105.19 109.24 2dks n GLY 23 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.49 0.66 0.15 1.61 -0.14 0.12 -3.49 119.74 118.16 2dks s LYS 24 Ca 0.00 -0.19 0.10 0.00 -1.36 0.00 0.00 55.97 54.52 2dks s LYS 24 Cb 0.00 -1.83 -0.04 0.00 -1.68 0.00 0.00 37.83 34.28 2dks s LYS 24 CO 0.00 -2.44 -0.17 -1.83 -0.76 0.00 0.00 175.35 170.16 2dks s GLU 25 N -5.69 1.80 -0.09 1.68 4.04 -1.26 -0.52 118.70 118.66 2dks s GLU 25 Ca 0.70 -1.29 -0.01 0.00 0.04 0.00 0.00 54.97 54.42 2dks s GLU 25 Cb -0.07 -2.06 0.03 0.00 0.02 0.00 0.00 34.13 32.04 2dks s GLU 25 CO 0.53 0.45 -0.05 0.08 -1.84 0.00 0.00 175.26 174.43 2dks s VAL 26 N -1.44 0.77 -0.37 1.83 1.01 0.15 -4.48 120.40 117.88 2dks s VAL 26 Ca 0.21 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 2dks s VAL 26 Cb -0.09 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 2dks s VAL 26 CO 0.12 0.32 0.30 -0.22 0.00 0.00 0.00 175.10 175.61 2dks s LEU 27 N 1.71 4.69 -0.80 3.92 2.96 0.10 -0.19 118.68 131.07 2dks s LEU 27 Ca 0.03 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.20 2dks s LEU 27 Cb -0.13 -2.20 0.09 0.00 0.50 0.00 0.00 46.19 44.45 2dks s LEU 27 CO -0.06 -0.34 1.08 -0.76 -1.32 0.00 0.00 176.35 174.95 2dks s LEU 28 N 1.80 4.53 0.76 -0.68 1.43 -0.80 -0.21 118.68 125.52 2dks s LEU 28 Ca 0.07 -1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 51.64 2dks s LEU 28 Cb -0.18 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.67 2dks s LEU 28 CO 0.11 -1.31 1.08 -0.76 0.23 0.00 0.00 176.35 175.70 2dks s LEU 29 N 3.66 2.89 0.04 1.79 1.43 -0.79 -3.22 118.68 124.48 2dks s LEU 29 Ca 0.29 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 55.05 2dks s LEU 29 Cb -0.10 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 2dks s LEU 29 CO 0.01 -1.88 -0.14 -0.69 0.23 0.00 0.00 176.35 173.87 2dks s VAL 30 N -3.00 1.13 0.27 -1.59 1.01 -1.26 -1.64 120.40 115.32 2dks s VAL 30 Ca 0.60 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2dks s VAL 30 Cb -0.16 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 2dks s VAL 30 CO 0.55 -0.01 0.06 -1.00 0.00 0.00 0.00 175.10 174.70 2dks s HIS 31 N -0.89 1.66 -1.32 5.22 0.09 -0.58 -4.78 115.29 114.68 2dks s HIS 31 Ca 0.01 -1.04 0.00 0.00 -0.00 0.00 0.00 55.06 54.03 2dks s HIS 31 Cb -0.08 -1.01 0.00 0.00 -0.00 0.00 0.00 32.58 31.49 2dks s HIS 31 CO 0.01 -0.15 0.00 0.09 -0.00 0.00 0.00 174.74 174.69 2dks n ASN 32 N -0.51 -4.13 -4.39 1.40 3.02 -1.26 -2.77 115.26 106.63 2dks n ASN 32 Ca -0.02 0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 2dks n ASN 32 Cb 0.66 -3.59 0.13 0.00 -0.61 0.00 0.00 39.78 36.36 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 -2.52 -0.66 0.00 3.41 4.77 -1.26 -4.15 117.00 116.59 2dks n LEU 33 Ca -0.16 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2dks n LEU 33 Cb 0.57 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2dks n LEU 33 CO 0.20 -3.63 0.00 -0.81 -1.33 0.00 0.00 177.39 171.82 2dks n PRO 34 N -1.63 -0.25 -0.12 3.23 -0.04 -1.26 -5.03 135.00 129.90 2dks n PRO 34 Ca 0.06 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.26 2dks n PRO 34 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 2dks n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dks n GLN 35 N -0.94 0.51 -3.75 0.54 10.64 -1.26 -4.82 117.38 118.30 2dks n GLN 35 Ca 0.00 0.22 -0.28 0.00 -1.83 0.00 0.00 57.00 55.12 2dks n GLN 35 Cb 0.00 -1.36 -0.11 0.00 -0.86 0.00 0.00 30.24 27.91 2dks n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2dks n ASP 36 N -4.08 2.64 -4.59 2.61 8.00 -1.26 -5.07 116.55 114.79 2dks n ASP 36 Ca -0.47 -3.13 -0.42 0.00 0.71 0.00 0.00 54.79 51.47 2dks n ASP 36 Cb 0.83 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2dks n ASP 36 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2dks s PRO 37 N -1.42 3.32 0.48 -0.24 0.04 -1.26 -1.48 135.00 134.43 2dks s PRO 37 Ca 0.28 1.23 0.22 0.00 0.04 0.00 0.00 61.00 62.77 2dks s PRO 37 Cb 0.00 -4.18 1.22 0.00 0.04 0.00 0.00 34.50 31.58 2dks s PRO 37 CO -0.15 -1.88 2.01 -0.09 0.04 0.00 0.00 177.00 176.93 2dks h ARG 38 N 12.59 0.00 0.00 4.56 2.43 0.11 -3.43 114.38 130.65 2dks h ARG 38 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2dks h ARG 38 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2dks h ARG 38 CO 1.06 0.17 0.00 0.41 -1.51 0.00 0.00 179.97 180.11 2dks n GLY 39 N -0.72 2.30 3.93 2.80 0.00 -1.20 -2.71 105.19 109.58 2dks n GLY 39 Ca -0.02 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.00 3.50 -0.21 1.61 2.02 0.16 -1.96 117.35 120.47 2dks s TYR 40 Ca 0.00 0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 56.88 2dks s TYR 40 Cb 0.00 -1.74 0.10 0.00 -0.40 0.00 0.00 41.96 39.92 2dks s TYR 40 CO 0.00 0.51 0.31 -0.80 -1.57 0.00 0.00 175.55 174.00 2dks s ASN 41 N -2.95 0.56 0.12 2.29 0.01 -0.62 -1.01 114.94 113.34 2dks s ASN 41 Ca 0.36 0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 52.73 2dks s ASN 41 Cb -0.12 0.84 -0.04 0.00 0.41 0.00 0.00 41.25 42.34 2dks s ASN 41 CO 0.28 -0.29 0.29 0.26 -1.51 0.00 0.00 177.10 176.13 2dks s TRP 42 N 2.46 3.50 0.13 2.20 0.52 -0.80 -0.56 118.94 126.38 2dks s TRP 42 Ca 0.07 0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.50 2dks s TRP 42 Cb -0.15 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 2dks s TRP 42 CO -0.13 0.51 0.04 0.71 0.02 0.00 0.00 176.95 178.09 2dks s TYR 43 N -1.64 0.88 -0.42 -1.98 1.51 0.66 -1.33 117.35 115.03 2dks s TYR 43 Ca 0.37 -1.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.13 2dks s TYR 43 Cb -0.12 -0.51 0.06 0.00 -0.11 0.00 0.00 41.96 41.28 2dks s TYR 43 CO 0.27 -0.45 0.29 0.21 -1.11 0.00 0.00 175.55 174.76 2dks s LYS 44 N -4.01 2.81 0.00 -0.62 2.20 0.80 -2.67 119.74 118.26 2dks s LYS 44 Ca 0.22 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 2dks s LYS 44 Cb 0.07 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2dks s LYS 44 CO 0.01 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 2dks n GLY 45 N 5.05 0.21 1.43 5.54 0.00 0.40 -4.71 105.19 113.11 2dks n GLY 45 Ca -0.11 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 2.64 -3.85 1.61 1.02 -1.26 -2.04 120.64 118.76 2dks n GLU 46 Ca 0.00 -3.71 -0.12 0.00 -0.02 0.00 0.00 57.16 53.31 2dks n GLU 46 Cb 0.00 -1.99 -0.14 0.00 -0.02 0.00 0.00 31.44 29.29 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 -3.97 -0.00 -0.96 2.62 -4.23 -1.26 -5.02 115.64 102.81 2dks s THR 47 Ca 0.46 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2dks s THR 47 Cb 0.40 -0.05 0.28 0.00 1.34 0.00 0.00 72.50 74.47 2dks s THR 47 CO -0.01 0.01 2.05 0.52 -0.54 0.00 0.00 174.62 176.65 2dks n VAL 48 N 3.14 5.01 -4.31 2.29 0.31 -1.26 -4.64 118.33 118.87 2dks n VAL 48 Ca -0.13 -5.00 -0.35 0.00 -0.01 0.00 0.00 64.34 58.85 2dks n VAL 48 Cb 0.59 -1.53 -0.09 0.00 -0.91 0.00 0.00 33.84 31.90 2dks n VAL 48 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2dks s ASP 49 N -0.88 5.36 0.33 4.52 1.11 -1.26 -5.00 116.67 120.84 2dks s ASP 49 Ca 0.47 0.17 0.09 0.00 0.18 0.00 0.00 52.55 53.45 2dks s ASP 49 Cb 0.28 -1.53 0.82 0.00 1.07 0.00 0.00 42.92 43.57 2dks s ASP 49 CO -0.22 0.37 1.79 0.00 1.18 0.00 0.00 175.17 178.29 2dks h ALA 50 N 5.04 1.80 -0.96 5.23 0.00 -1.96 0.71 119.26 129.11 2dks h ALA 50 Ca -0.51 0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.60 2dks h ALA 50 Cb 1.19 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 2dks h ALA 50 CO 0.55 -0.16 0.58 -0.91 0.00 0.00 0.00 179.25 179.31 2dks h ASN 51 N 0.68 0.82 -0.68 0.00 2.35 -1.99 0.50 115.58 117.27 2dks h ASN 51 Ca 0.56 0.06 -0.23 0.00 -0.55 0.00 0.00 56.30 56.15 2dks h ASN 51 Cb 0.99 -0.09 -0.14 0.00 0.05 0.00 0.00 38.32 39.13 2dks h ASN 51 CO -0.34 0.40 0.25 0.54 -1.65 0.00 0.00 177.43 176.63 2dks n ARG 52 N -4.70 3.24 -2.74 0.81 5.12 0.16 -4.62 116.66 113.94 2dks n ARG 52 Ca 0.19 -3.07 -0.43 0.00 -1.93 0.00 0.00 57.85 52.61 2dks n ARG 52 Cb 0.40 -2.13 -0.03 0.00 -1.16 0.00 0.00 32.46 29.54 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 -3.05 4.06 -0.02 5.56 3.52 0.17 -0.14 118.95 129.05 2dks s ARG 53 Ca 0.53 0.96 -0.07 0.00 -0.13 0.00 0.00 55.73 57.02 2dks s ARG 53 Cb 0.43 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2dks s ARG 53 CO 0.11 -0.80 0.48 0.82 -0.81 0.00 0.00 175.30 175.10 2dks h ILE 54 N 5.65 0.00 -2.42 4.11 2.04 -1.45 -3.15 117.51 122.29 2dks h ILE 54 Ca -0.21 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 2dks h ILE 54 Cb 1.07 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 36.93 2dks h ILE 54 CO 0.98 0.00 -0.07 -0.51 0.00 0.00 0.00 178.15 178.55 2dks s ILE 55 N -2.43 0.00 -0.04 -0.67 2.07 -1.22 -0.17 121.20 118.74 2dks s ILE 55 Ca -0.03 -0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.25 2dks s ILE 55 Cb 0.00 -0.76 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 2dks s ILE 55 CO 0.10 -0.01 -0.21 -0.83 -1.91 0.00 0.00 174.94 172.09 2dks s GLY 56 N 0.20 1.09 0.01 1.50 0.00 -0.88 -1.91 107.32 107.33 2dks s GLY 56 Ca -0.01 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.89 2dks s GLY 56 CO 0.01 -0.57 -0.18 -0.47 0.00 0.00 0.00 173.10 171.89 2dks s TYR 57 N -0.19 1.58 -0.23 1.90 5.04 -0.18 -0.29 117.35 124.98 2dks s TYR 57 Ca -0.00 -0.33 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 2dks s TYR 57 Cb -0.11 -0.98 0.02 0.00 0.35 0.00 0.00 41.96 41.24 2dks s TYR 57 CO 0.02 0.02 -0.08 0.08 -1.34 0.00 0.00 175.55 174.24 2dks s VAL 58 N -0.59 2.77 0.25 3.14 1.01 0.74 -0.66 120.40 127.06 2dks s VAL 58 Ca 0.06 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.11 2dks s VAL 58 Cb -0.07 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2dks s VAL 58 CO 0.00 0.27 1.58 0.40 0.00 0.00 0.00 175.10 177.35 2dks h ILE 59 N 6.09 1.38 -0.55 2.22 2.04 -1.77 1.72 117.51 128.64 2dks h ILE 59 Ca -0.35 -1.93 -0.12 0.00 1.00 0.00 0.00 64.86 63.46 2dks h ILE 59 Cb 1.12 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 2dks h ILE 59 CO 0.58 0.57 -0.11 -1.28 0.00 0.00 0.00 178.15 177.91 2dks h SER 60 N 0.17 1.04 -0.26 1.72 0.87 -1.83 -3.14 113.55 112.12 2dks h SER 60 Ca -0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2dks h SER 60 Cb 1.07 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2dks h SER 60 CO 0.09 1.15 0.00 -3.20 -0.53 0.00 0.00 176.83 174.34 2dks n ASN 61 N -4.14 2.97 -3.79 6.23 5.15 -1.19 -4.97 115.26 115.53 2dks n ASN 61 Ca 0.01 -2.27 -0.32 0.00 -0.60 0.00 0.00 54.58 51.41 2dks n ASN 61 Cb 0.41 -0.27 -0.06 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.06 -0.79 -4.15 1.20 6.02 0.58 -4.87 117.38 115.42 2dks n GLN 62 Ca 0.12 0.10 -0.23 0.00 -0.01 0.00 0.00 57.00 56.99 2dks n GLN 62 Cb 0.51 -3.48 -0.05 0.00 1.02 0.00 0.00 30.24 28.24 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 -5.72 2.77 -0.04 -1.09 0.74 -0.71 -4.89 119.66 110.71 2dks s GLN 63 Ca 0.59 -1.11 0.02 0.00 0.05 0.00 0.00 55.36 54.91 2dks s GLN 63 Cb -0.34 -2.48 0.01 0.00 1.10 0.00 0.00 33.01 31.30 2dks s GLN 63 CO 0.77 0.41 -0.07 0.42 -0.55 0.00 0.00 175.29 176.27 2dks s ILE 64 N -2.10 0.68 -0.33 -2.34 1.01 -1.26 -0.18 121.20 116.68 2dks s ILE 64 Ca 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 2dks s ILE 64 Cb -0.08 -0.65 0.11 0.00 0.01 0.00 0.00 42.46 41.86 2dks s ILE 64 CO 0.23 0.24 0.14 -0.89 0.00 0.00 0.00 174.94 174.66 2dks s THR 65 N 0.52 0.63 0.43 2.92 2.01 0.60 -5.00 115.64 117.75 2dks s THR 65 Ca -0.08 -1.47 -0.24 0.00 0.31 0.00 0.00 61.69 60.21 2dks s THR 65 Cb -0.11 -1.48 -0.08 0.00 0.01 0.00 0.00 72.50 70.84 2dks s THR 65 CO 0.01 -0.77 1.18 -2.16 -0.69 0.00 0.00 174.62 172.19 2dks s PRO 66 N 1.46 3.91 0.00 4.92 0.04 -1.26 -2.07 135.00 141.99 2dks s PRO 66 Ca 0.12 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2dks s PRO 66 Cb -0.19 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2dks s PRO 66 CO -0.20 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2dks n GLY 67 N 0.55 1.95 0.19 0.56 0.00 0.76 -4.93 105.19 104.28 2dks n GLY 67 Ca 0.06 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 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 0.22 -1.30 1.61 0.13 -1.79 -3.05 132.00 127.83 2dks h PRO 68 Ca 0.00 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.91 2dks h PRO 68 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2dks h PRO 68 CO 0.00 0.64 0.13 0.00 -0.23 0.00 0.00 178.00 178.54 2dks n ALA 69 N -2.47 3.54 -3.04 -0.56 0.00 -1.21 -4.81 120.51 111.95 2dks n ALA 69 Ca -0.02 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 2dks n ALA 69 Cb 0.51 -1.10 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.61 2.61 -0.10 0.00 5.04 -1.15 -4.58 117.35 118.56 2dks s TYR 70 Ca 0.11 -0.82 0.13 0.00 -2.44 0.00 0.00 57.07 54.05 2dks s TYR 70 Cb 0.09 -1.72 0.25 0.00 0.35 0.00 0.00 41.96 40.93 2dks s TYR 70 CO 0.01 -0.29 1.13 0.43 -1.34 0.00 0.00 175.55 175.49 2dks n SER 71 N 3.34 1.54 -3.46 4.32 7.64 -1.26 -4.98 113.62 120.75 2dks n SER 71 Ca -0.18 -2.86 -0.20 0.00 1.01 0.00 0.00 58.87 56.63 2dks n SER 71 Cb 0.53 -0.38 0.08 0.00 -1.01 0.00 0.00 64.21 63.43 2dks n SER 71 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dks n ASN 72 N -0.86 -4.32 0.00 6.43 4.13 -1.26 -4.88 115.26 114.50 2dks n ASN 72 Ca 0.12 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.81 2dks n ASN 72 Cb 0.71 -4.99 0.00 0.00 -1.54 0.00 0.00 39.78 33.96 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dks n ARG 73 N -4.53 1.95 -3.38 3.52 1.74 -1.26 -5.07 116.66 109.63 2dks n ARG 73 Ca -0.13 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.62 2dks n ARG 73 Cb 0.61 -0.76 -0.06 0.00 -1.02 0.00 0.00 32.46 31.23 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 -1.52 3.88 -0.05 5.56 8.01 -1.26 -3.31 118.70 130.01 2dks s GLU 74 Ca 0.00 0.37 -0.01 0.00 0.01 0.00 0.00 54.97 55.35 2dks s GLU 74 Cb 0.00 -2.75 0.03 0.00 -4.31 0.00 0.00 34.13 27.09 2dks s GLU 74 CO 0.00 0.38 0.01 0.99 0.01 0.00 0.00 175.26 176.65 2dks s THR 75 N -1.68 0.21 1.04 3.63 2.01 -0.95 -4.95 115.64 114.96 2dks s THR 75 Ca 0.44 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.47 2dks s THR 75 Cb -0.13 -0.36 0.21 0.00 0.01 0.00 0.00 72.50 72.23 2dks s THR 75 CO 0.20 0.20 1.10 -0.63 -0.69 0.00 0.00 174.62 174.81 2dks s ILE 76 N 1.65 1.92 0.10 1.82 1.09 -1.26 -0.34 121.20 126.18 2dks s ILE 76 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 2dks s ILE 76 Cb -0.13 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.71 2dks s ILE 76 CO -0.03 0.00 -0.02 -0.31 -0.10 0.00 0.00 174.94 174.47 2dks s TYR 77 N -3.02 0.82 -1.58 3.97 1.51 0.30 -4.80 117.35 114.55 2dks s TYR 77 Ca 0.67 -1.03 0.15 0.00 -1.01 0.00 0.00 57.07 55.84 2dks s TYR 77 Cb -0.16 -0.50 0.80 0.00 -0.11 0.00 0.00 41.96 41.99 2dks s TYR 77 CO 0.57 -0.29 1.39 -0.35 -1.11 0.00 0.00 175.55 175.76 2dks n PRO 78 N -0.03 0.29 -0.21 -1.71 -0.04 -1.26 -1.99 135.00 130.04 2dks n PRO 78 Ca -0.11 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 2dks n PRO 78 Cb 0.62 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.21 2.95 -1.16 3.54 6.94 -1.26 -4.95 115.26 120.11 2dks n ASN 79 Ca 0.08 -2.77 -0.08 0.00 -0.02 0.00 0.00 54.58 51.79 2dks n ASN 79 Cb 0.10 -0.39 0.01 0.00 -2.36 0.00 0.00 39.78 37.14 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dks n ALA 80 N -0.71 -0.32 -2.55 -2.53 0.00 -0.84 -4.51 120.51 109.05 2dks n ALA 80 Ca 0.15 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 2dks n ALA 80 Cb 0.65 -1.56 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.80 4.26 -0.13 0.00 0.01 -1.25 -4.69 113.70 109.10 2dks s SER 81 Ca 0.07 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.97 2dks s SER 81 Cb -0.03 -0.80 0.01 0.00 0.21 0.00 0.00 66.02 65.41 2dks s SER 81 CO 0.09 0.21 -0.19 -0.22 0.41 0.00 0.00 173.24 173.53 2dks s LEU 82 N -1.96 1.95 -0.42 2.44 2.96 -1.20 0.11 118.68 122.56 2dks s LEU 82 Ca 0.19 -0.54 -0.18 0.00 -0.22 0.00 0.00 54.13 53.38 2dks s LEU 82 Cb -0.11 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.29 2dks s LEU 82 CO 0.11 0.04 0.50 -0.22 -1.32 0.00 0.00 176.35 175.46 2dks s LEU 83 N 0.95 4.75 -0.09 -0.68 2.96 0.54 -1.90 118.68 125.20 2dks s LEU 83 Ca -0.05 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.09 2dks s LEU 83 Cb -0.15 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 2dks s LEU 83 CO -0.03 -0.64 0.60 -0.32 -1.32 0.00 0.00 176.35 174.64 2dks s MET 84 N 2.34 4.39 0.17 1.98 -2.45 0.74 -2.23 119.30 124.24 2dks s MET 84 Ca 0.15 0.68 0.09 0.00 -1.25 0.00 0.00 55.69 55.36 2dks s MET 84 Cb -0.16 -3.45 -0.04 0.00 1.25 0.00 0.00 34.83 32.43 2dks s MET 84 CO 0.15 0.09 -0.11 1.03 1.05 0.00 0.00 175.02 177.24 2dks s ARG 85 N 0.77 2.02 -1.40 4.11 0.52 -1.21 0.33 118.95 124.10 2dks s ARG 85 Ca 0.32 -1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2dks s ARG 85 Cb -0.16 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.15 2dks s ARG 85 CO 0.14 0.44 0.42 0.09 0.02 0.00 0.00 175.30 176.41 2dks n ASN 86 N 0.13 -0.42 -4.06 0.23 3.02 -1.01 -4.89 115.26 108.26 2dks n ASN 86 Ca -0.11 -1.01 -0.29 0.00 -0.03 0.00 0.00 54.58 53.14 2dks n ASN 86 Cb 0.55 -3.03 0.23 0.00 -0.61 0.00 0.00 39.78 36.92 2dks n ASN 86 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2dks n VAL 87 N -4.40 0.00 -3.65 2.41 0.24 0.32 -4.49 118.33 108.76 2dks n VAL 87 Ca -0.31 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.56 2dks n VAL 87 Cb 0.68 -0.80 -0.08 0.00 -1.47 0.00 0.00 33.84 32.18 2dks n VAL 87 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2dks s THR 88 N -2.24 0.02 0.55 3.34 -4.23 -1.26 -1.59 115.64 110.23 2dks s THR 88 Ca 0.60 -0.13 0.42 0.00 -1.18 0.00 0.00 61.69 61.39 2dks s THR 88 Cb -0.16 -0.81 0.62 0.00 1.34 0.00 0.00 72.50 73.49 2dks s THR 88 CO 0.60 -0.07 1.71 0.08 -0.54 0.00 0.00 174.62 176.40 2dks h ARG 89 N 4.08 0.00 -0.08 3.99 0.11 -1.97 0.39 114.38 120.91 2dks h ARG 89 Ca -0.28 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.78 2dks h ARG 89 Cb 1.16 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 2dks h ARG 89 CO 0.31 0.00 -0.03 -0.97 0.10 0.00 0.00 179.97 179.38 2dks h ASN 90 N 0.00 0.16 -1.04 0.08 -0.73 -1.95 -3.07 115.58 109.03 2dks h ASN 90 Ca 0.70 -0.40 0.37 0.00 1.87 0.00 0.00 56.30 58.84 2dks h ASN 90 Cb 2.83 -0.04 -0.16 0.00 0.27 0.00 0.00 38.32 41.22 2dks h ASN 90 CO -0.01 0.52 0.59 0.44 -0.37 0.00 0.00 177.43 178.60 2dks h ASP 91 N -0.20 0.41 -1.08 1.15 5.19 -0.61 -3.41 116.42 117.86 2dks h ASP 91 Ca 0.02 0.21 -0.84 0.00 -0.62 0.00 0.00 57.03 55.80 2dks h ASP 91 Cb 0.45 0.19 0.02 0.00 0.18 0.00 0.00 39.33 40.17 2dks h ASP 91 CO 0.01 -0.26 0.60 0.41 -3.12 0.00 0.00 179.24 176.88 2dks n THR 92 N -5.09 0.04 0.00 0.35 -1.04 -1.16 -4.52 114.28 102.86 2dks n THR 92 Ca 0.35 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 2dks n THR 92 Cb 1.15 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 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 3.55 -1.34 3.45 3.41 0.00 -1.26 -5.07 105.19 107.93 2dks n GLY 93 Ca 0.28 0.67 -0.16 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.54 -0.16 1.61 0.01 -1.26 -4.82 113.70 104.54 2dks s SER 94 Ca 0.00 0.71 -0.05 0.00 1.31 0.00 0.00 55.95 57.92 2dks s SER 94 Cb 0.00 0.68 0.06 0.00 0.21 0.00 0.00 66.02 66.97 2dks s SER 94 CO 0.00 -0.46 0.09 -0.31 0.41 0.00 0.00 173.24 172.97 2dks s TYR 95 N -0.80 0.19 -0.09 2.43 1.51 -1.10 0.15 117.35 119.64 2dks s TYR 95 Ca -0.08 -0.27 -0.21 0.00 -1.01 0.00 0.00 57.07 55.49 2dks s TYR 95 Cb -0.02 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 2dks s TYR 95 CO 0.06 -0.49 0.61 0.99 -1.11 0.00 0.00 175.55 175.61 2dks s THR 96 N 2.14 5.11 -0.25 -0.71 2.01 -0.86 -0.40 115.64 122.67 2dks s THR 96 Ca 0.02 1.24 0.02 0.00 0.31 0.00 0.00 61.69 63.27 2dks s THR 96 Cb -0.16 -3.95 0.05 0.00 0.01 0.00 0.00 72.50 68.46 2dks s THR 96 CO -0.09 0.28 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.80 2dks s LEU 97 N 0.74 3.30 -0.04 4.42 1.98 -0.13 -0.24 118.68 128.70 2dks s LEU 97 Ca 0.33 -1.22 -0.08 0.00 -2.89 0.00 0.00 54.13 50.26 2dks s LEU 97 Cb -0.17 -1.57 -0.05 0.00 0.66 0.00 0.00 46.19 45.06 2dks s LEU 97 CO 0.15 -0.17 0.25 -1.58 -1.89 0.00 0.00 176.35 173.11 2dks s GLN 98 N 1.17 3.60 -0.19 1.98 0.74 0.27 -2.63 119.66 124.60 2dks s GLN 98 Ca -0.06 0.00 0.01 0.00 0.05 0.00 0.00 55.36 55.37 2dks s GLN 98 Cb -0.19 -3.15 0.04 0.00 1.10 0.00 0.00 33.01 30.81 2dks s GLN 98 CO -0.06 0.71 -0.11 0.08 -0.55 0.00 0.00 175.29 175.36 2dks s VAL 99 N -1.16 1.65 0.22 1.34 1.01 -1.15 -1.59 120.40 120.73 2dks s VAL 99 Ca 0.22 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2dks s VAL 99 Cb -0.13 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 2dks s VAL 99 CO 0.11 0.23 0.52 -0.63 0.00 0.00 0.00 175.10 175.33 2dks s ILE 100 N 1.40 4.98 0.17 2.22 1.09 -0.83 -0.33 121.20 129.90 2dks s ILE 100 Ca 0.00 0.38 0.10 0.00 -1.10 0.00 0.00 60.65 60.03 2dks s ILE 100 Cb -0.16 -3.62 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 2dks s ILE 100 CO -0.09 -0.06 -0.23 -0.54 -0.10 0.00 0.00 174.94 173.93 2dks s LYS 101 N -2.82 1.39 0.32 2.79 3.01 -0.21 0.15 119.74 124.36 2dks s LYS 101 Ca 0.46 -1.43 0.15 0.00 -1.01 0.00 0.00 55.97 54.14 2dks s LYS 101 Cb -0.11 -1.66 0.82 0.00 -1.01 0.00 0.00 37.83 35.86 2dks s LYS 101 CO 0.22 0.36 1.38 1.28 0.51 0.00 0.00 175.35 179.11 2dks n LEU 102 N 0.46 0.39 -0.82 3.17 7.99 -0.55 -0.37 117.00 127.27 2dks n LEU 102 Ca -0.14 0.60 0.02 0.00 -0.01 0.00 0.00 56.01 56.48 2dks n LEU 102 Cb 0.56 -0.58 0.09 0.00 -0.11 0.00 0.00 43.42 43.38 2dks n LEU 102 CO 0.28 -0.74 0.39 -3.20 -1.51 0.00 0.00 177.39 172.61 2dks n ASN 103 N -2.09 2.09 -3.10 -1.43 5.15 -1.26 -4.83 115.26 109.79 2dks n ASN 103 Ca -0.01 -2.21 -0.23 0.00 -0.60 0.00 0.00 54.58 51.53 2dks n ASN 103 Cb 0.25 -0.54 0.04 0.00 -0.53 0.00 0.00 39.78 38.99 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 0.14 -2.63 -4.71 1.20 4.77 0.50 -4.99 117.00 111.28 2dks n LEU 104 Ca 0.06 -0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 55.45 2dks n LEU 104 Cb 0.47 -2.91 -0.08 0.00 -2.33 0.00 0.00 43.42 38.57 2dks n LEU 104 CO 0.08 0.26 -0.21 -0.04 -1.33 0.00 0.00 177.39 176.14 2dks s MET 105 N -5.78 2.12 -0.02 3.23 -1.94 -1.15 -4.95 119.30 110.81 2dks s MET 105 Ca 0.33 -2.08 -0.16 0.00 -1.71 0.00 0.00 55.69 52.08 2dks s MET 105 Cb -0.15 -1.77 0.03 0.00 2.01 0.00 0.00 34.83 34.95 2dks s MET 105 CO 0.41 -0.18 0.34 -1.54 -0.01 0.00 0.00 175.02 174.05 2dks s SER 106 N -3.85 -0.23 0.42 3.03 1.04 -1.26 -1.05 113.70 111.80 2dks s SER 106 Ca 0.31 0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.95 2dks s SER 106 Cb 0.05 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.45 2dks s SER 106 CO 0.17 -0.46 0.09 -1.61 0.98 0.00 0.00 173.24 172.40 2dks s GLU 107 N -1.31 2.09 -0.02 4.02 0.41 0.55 -4.90 118.70 119.54 2dks s GLU 107 Ca -0.13 -2.02 0.00 0.00 -0.41 0.00 0.00 54.97 52.41 2dks s GLU 107 Cb -0.05 -1.78 0.02 0.00 -1.78 0.00 0.00 34.13 30.54 2dks s GLU 107 CO 0.05 -0.11 0.00 -1.21 -0.49 0.00 0.00 175.26 173.50 2dks s GLU 108 N -3.81 0.16 -0.26 1.61 2.02 -1.26 -2.92 118.70 114.23 2dks s GLU 108 Ca 0.36 0.05 -0.05 0.00 0.02 0.00 0.00 54.97 55.35 2dks s GLU 108 Cb 0.07 -0.29 0.14 0.00 0.10 0.00 0.00 34.13 34.14 2dks s GLU 108 CO 0.19 -0.08 0.52 0.54 0.02 0.00 0.00 175.26 176.45 2dks s VAL 109 N 0.63 -0.82 -0.65 2.63 0.11 -1.08 -4.97 120.40 116.25 2dks s VAL 109 Ca -0.06 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 2dks s VAL 109 Cb -0.09 -0.88 0.05 0.00 -1.53 0.00 0.00 36.38 33.93 2dks s VAL 109 CO -0.01 -0.01 1.08 -0.89 -3.33 0.00 0.00 175.10 171.94 2dks s THR 110 N 2.74 4.11 -0.25 5.04 2.01 -1.26 -0.96 115.64 127.07 2dks s THR 110 Ca 0.07 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.26 2dks s THR 110 Cb -0.14 -4.73 0.06 0.00 0.01 0.00 0.00 72.50 67.71 2dks s THR 110 CO -0.17 -1.49 -0.07 -0.83 -0.69 0.00 0.00 174.62 171.37 2dks s GLY 111 N 3.42 1.44 0.29 4.40 0.00 0.46 -4.83 107.32 112.50 2dks s GLY 111 Ca 0.30 -1.54 0.03 0.00 0.00 0.00 0.00 44.72 43.51 2dks s GLY 111 CO 0.16 0.82 0.10 0.61 0.00 0.00 0.00 173.10 174.79 2dks n GLN 112 N 4.57 0.69 -3.18 2.90 0.00 -1.26 -4.07 117.38 117.03 2dks n GLN 112 Ca -0.12 -2.46 -0.10 0.00 0.00 0.00 0.00 57.00 54.31 2dks n GLN 112 Cb 0.43 1.33 -0.04 0.00 0.00 0.00 0.00 30.24 31.96 2dks n GLN 112 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2dks n PHE 113 N -0.66 -0.39 -4.50 2.61 -1.74 -1.26 -4.57 117.46 106.95 2dks n PHE 113 Ca -0.04 -1.47 -0.21 0.00 -0.56 0.00 0.00 57.45 55.17 2dks n PHE 113 Cb 0.44 0.15 -0.15 0.00 1.52 0.00 0.00 39.48 41.43 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 -2.23 1.38 -0.10 5.98 0.01 -1.24 -4.25 113.70 113.25 2dks s SER 114 Ca 0.20 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 2dks s SER 114 Cb 0.01 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 2dks s SER 114 CO 0.14 0.12 -0.07 -0.69 0.41 0.00 0.00 173.24 173.15 2dks s VAL 115 N -0.08 3.69 -0.05 3.43 1.01 -1.26 -2.33 120.40 124.81 2dks s VAL 115 Ca 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2dks s VAL 115 Cb -0.07 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2dks s VAL 115 CO 0.00 0.56 0.01 -1.38 0.00 0.00 0.00 175.10 174.29 2dks s HIS 116 N -0.36 0.49 0.03 5.22 -3.43 -0.09 -4.75 115.29 112.40 2dks s HIS 116 Ca 0.05 -0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 53.95 2dks s HIS 116 Cb -0.12 -0.64 -0.06 0.00 -1.43 0.00 0.00 32.58 30.32 2dks s HIS 116 CO 0.02 -0.24 1.42 -1.25 -2.00 0.00 0.00 174.74 172.69 2dks s PRO 117 N 1.69 4.28 -1.10 -0.38 0.04 -1.26 -3.91 135.00 134.36 2dks s PRO 117 Ca 0.00 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 2dks s PRO 117 Cb -0.13 -3.51 -0.16 0.00 0.04 0.00 0.00 34.50 30.75 2dks s PRO 117 CO -0.04 -0.56 2.06 -1.21 0.04 0.00 0.00 177.00 177.29 2dks s GLU 118 N 2.14 1.77 -0.29 4.56 0.41 -1.26 -4.75 118.70 121.28 2dks s GLU 118 Ca 0.65 -0.66 -0.24 0.00 -0.41 0.00 0.00 54.97 54.31 2dks s GLU 118 Cb -0.33 -5.07 0.17 0.00 -1.78 0.00 0.00 34.13 27.11 2dks s GLU 118 CO 0.28 -4.76 1.28 -0.08 -0.49 0.00 0.00 175.26 171.49 2dks s THR 119 N 14.27 0.00 0.47 3.63 -1.32 -1.26 -5.16 115.64 126.26 2dks s THR 119 Ca 0.77 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 61.02 2dks s THR 119 Cb -0.04 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.88 2dks s THR 119 CO 0.15 0.00 1.16 -2.16 -2.21 0.00 0.00 174.62 171.56 2dks s PRO 120 N 0.17 3.72 -0.03 7.08 0.04 -1.26 -5.05 135.00 139.67 2dks s PRO 120 Ca 0.05 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.85 2dks s PRO 120 Cb -0.05 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 2dks s PRO 120 CO -0.12 -0.58 -0.02 -1.59 0.04 0.00 0.00 177.00 174.72 2dks s LYS 121 N -2.76 2.78 0.26 4.56 -2.85 -1.26 -5.10 119.74 115.38 2dks s LYS 121 Ca 0.64 -0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 54.75 2dks s LYS 121 Cb -0.28 -2.65 -0.09 0.00 -2.06 0.00 0.00 37.83 32.74 2dks s LYS 121 CO 0.34 0.65 1.26 -1.25 0.10 0.00 0.00 175.35 176.45 2dks s PRO 122 N -1.23 4.43 -0.01 1.78 0.04 -1.26 -4.92 135.00 133.82 2dks s PRO 122 Ca 0.16 2.05 -0.37 0.00 0.04 0.00 0.00 61.00 62.89 2dks s PRO 122 Cb -0.11 -3.15 -0.16 0.00 0.04 0.00 0.00 34.50 31.12 2dks s PRO 122 CO 0.06 -0.14 1.52 0.45 0.04 0.00 0.00 177.00 178.93 2dks n SER 123 N 1.74 2.18 -4.67 6.66 2.88 -1.26 -4.83 113.62 116.32 2dks n SER 123 Ca 0.03 1.09 -0.45 0.00 -1.33 0.00 0.00 58.87 58.20 2dks n SER 123 Cb 0.43 -1.23 -0.03 0.00 -0.75 0.00 0.00 64.21 62.63 2dks n SER 123 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dks n ILE 124 N 3.38 0.62 -3.64 2.46 3.06 -1.26 -4.98 119.36 119.00 2dks n ILE 124 Ca 0.21 -0.15 -0.06 0.00 -2.50 0.00 0.00 62.75 60.24 2dks n ILE 124 Cb 0.20 -1.48 -0.07 0.00 0.54 0.00 0.00 39.64 38.83 2dks n ILE 124 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2dks s SER 125 N 0.50 -0.37 0.83 9.51 0.15 -1.26 -5.15 113.70 117.90 2dks s SER 125 Ca 0.72 0.69 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2dks s SER 125 Cb -0.67 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2dks s SER 125 CO 0.46 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2dks n GLY 126 N 2.38 0.61 2.24 9.45 0.00 -1.26 -4.83 105.19 113.77 2dks n GLY 126 Ca -0.13 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 2dks n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dks n PRO 127 N 0.00 -2.39 -3.47 1.61 -0.04 -1.26 -5.02 135.00 124.43 2dks n PRO 127 Ca 0.00 -1.12 -0.37 0.00 -0.04 0.00 0.00 63.50 61.97 2dks n PRO 127 Cb 0.00 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 2dks n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks s SER 128 N -3.39 6.61 -0.11 3.54 0.15 -1.26 -5.08 113.70 114.17 2dks s SER 128 Ca 0.45 0.72 -0.01 0.00 0.70 0.00 0.00 55.95 57.81 2dks s SER 128 Cb -0.04 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2dks s SER 128 CO 0.35 0.15 -0.04 -0.44 1.20 0.00 0.00 173.24 174.45 2dks s SER 129 N 0.02 4.81 0.00 5.45 0.01 -1.26 -5.24 113.70 117.48 2dks s SER 129 Ca 0.21 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2dks s SER 129 Cb -0.15 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2dks s SER 129 CO 0.08 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.63