#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 6.57 0.25 1.61 0.01 -1.26 -5.05 113.70 115.83 2dks s SER 2 Ca 0.00 -3.20 -0.30 0.00 1.31 0.00 0.00 55.95 53.76 2dks s SER 2 Cb 0.00 -2.10 -0.09 0.00 0.21 0.00 0.00 66.02 64.04 2dks s SER 2 CO 0.00 -0.38 1.10 -0.55 0.41 0.00 0.00 173.24 173.83 2dks s SER 3 N 1.24 7.26 -0.06 2.44 0.15 -1.26 -5.04 113.70 118.42 2dks s SER 3 Ca 0.24 2.22 0.03 0.00 0.70 0.00 0.00 55.95 59.13 2dks s SER 3 Cb -0.11 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.59 2dks s SER 3 CO -0.08 -0.17 -0.14 -0.83 1.20 0.00 0.00 173.24 173.21 2dks s GLY 4 N -0.61 0.84 0.27 9.45 0.00 -1.26 -5.11 107.32 110.89 2dks s GLY 4 Ca 0.46 -0.50 -0.29 0.00 0.00 0.00 0.00 44.72 44.40 2dks s GLY 4 CO 0.39 -0.01 1.02 -1.26 0.00 0.00 0.00 173.10 173.24 2dks n SER 5 N 3.63 1.25 -4.74 1.64 2.88 -1.26 -4.93 113.62 112.09 2dks n SER 5 Ca -0.21 1.17 -0.31 0.00 -1.33 0.00 0.00 58.87 58.19 2dks n SER 5 Cb 0.52 -1.27 0.11 0.00 -0.75 0.00 0.00 64.21 62.82 2dks n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dks s SER 6 N -0.48 4.07 0.00 -3.46 0.01 -1.26 -4.69 113.70 107.89 2dks s SER 6 Ca 0.61 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2dks s SER 6 Cb -0.73 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.01 2dks s SER 6 CO 0.59 -2.32 0.00 0.61 0.41 0.00 0.00 173.24 172.53 2dks n GLY 7 N -0.91 0.65 3.50 3.44 0.00 -1.26 -5.04 105.19 105.57 2dks n GLY 7 Ca 0.09 -1.15 -0.58 0.00 0.00 0.00 0.00 46.02 44.38 2dks n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dks n THR 8 N 0.00 0.12 -4.38 2.61 5.66 -1.26 -4.96 114.28 112.07 2dks n THR 8 Ca 0.00 -0.03 -0.28 0.00 -3.05 0.00 0.00 64.05 60.69 2dks n THR 8 Cb 0.00 -0.08 -0.13 0.00 -1.55 0.00 0.00 70.33 68.57 2dks n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dks s ALA 9 N -0.02 2.33 -0.28 1.79 0.00 -1.26 -5.04 121.76 119.28 2dks s ALA 9 Ca 0.89 -1.48 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 2dks s ALA 9 Cb -1.22 -0.34 0.10 0.00 0.00 0.00 0.00 23.12 21.66 2dks s ALA 9 CO 0.56 0.48 0.79 1.14 0.00 0.00 0.00 175.76 178.73 2dks s GLN 10 N -2.21 0.63 -0.49 0.00 -2.07 -1.26 -5.11 119.66 109.15 2dks s GLN 10 Ca 0.15 1.02 -0.46 0.00 -1.82 0.00 0.00 55.36 54.24 2dks s GLN 10 Cb -0.09 0.16 -0.20 0.00 -1.09 0.00 0.00 33.01 31.79 2dks s GLN 10 CO 0.07 -0.12 1.70 -0.11 -1.32 0.00 0.00 175.29 175.51 2dks n LEU 11 N 3.82 1.16 -4.30 2.60 7.94 -1.25 -4.68 117.00 122.29 2dks n LEU 11 Ca -0.18 1.09 -0.16 0.00 -1.11 0.00 0.00 56.01 55.65 2dks n LEU 11 Cb 0.58 -0.89 -0.10 0.00 0.53 0.00 0.00 43.42 43.53 2dks n LEU 11 CO -0.00 -0.82 -0.26 0.28 -1.11 0.00 0.00 177.39 175.49 2dks s THR 12 N 3.57 0.49 -0.05 1.96 -1.32 -1.13 -4.67 115.64 114.49 2dks s THR 12 Ca 1.08 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 59.54 2dks s THR 12 Cb -1.49 -2.58 0.03 0.00 -1.51 0.00 0.00 72.50 66.95 2dks s THR 12 CO 0.79 -0.03 0.10 -0.63 -2.21 0.00 0.00 174.62 172.63 2dks s ILE 13 N -3.80 -0.05 -0.27 5.08 1.01 -1.26 -2.06 121.20 119.84 2dks s ILE 13 Ca 0.37 0.20 0.03 0.00 0.00 0.00 0.00 60.65 61.25 2dks s ILE 13 Cb 0.08 -0.17 0.07 0.00 0.01 0.00 0.00 42.46 42.44 2dks s ILE 13 CO 0.13 0.08 -0.08 -0.70 0.00 0.00 0.00 174.94 174.37 2dks s GLU 14 N 1.13 2.05 0.23 2.79 2.12 -0.88 -4.81 118.70 121.32 2dks s GLU 14 Ca -0.09 -1.42 -0.32 0.00 0.36 0.00 0.00 54.97 53.51 2dks s GLU 14 Cb -0.12 -2.92 -0.13 0.00 0.26 0.00 0.00 34.13 31.22 2dks s GLU 14 CO -0.05 -0.64 1.53 0.00 -0.54 0.00 0.00 175.26 175.56 2dks n ALA 15 N 4.42 1.72 -3.64 6.30 0.00 -1.26 -2.96 120.51 125.10 2dks n ALA 15 Ca -0.11 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 2dks n ALA 15 Cb 0.42 -2.37 -0.17 0.00 0.00 0.00 0.00 19.45 17.34 2dks n ALA 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dks s VAL 16 N 0.29 0.05 1.08 0.00 1.01 -0.60 -2.61 120.40 119.61 2dks s VAL 16 Ca 0.70 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 2dks s VAL 16 Cb -0.60 -0.68 0.23 0.00 0.00 0.00 0.00 36.38 35.32 2dks s VAL 16 CO 0.45 -0.28 1.10 -2.16 0.00 0.00 0.00 175.10 174.21 2dks s PRO 17 N 2.08 -0.22 0.32 2.72 0.04 -1.26 0.04 135.00 138.72 2dks s PRO 17 Ca 0.02 0.30 0.16 0.00 0.04 0.00 0.00 61.00 61.51 2dks s PRO 17 Cb -0.16 -1.68 0.43 0.00 0.04 0.00 0.00 34.50 33.13 2dks s PRO 17 CO -0.09 -3.12 1.61 1.03 0.04 0.00 0.00 177.00 176.47 2dks h SER 18 N -2.17 0.00 -2.14 6.66 0.87 -1.88 -3.42 113.55 111.47 2dks h SER 18 Ca -0.52 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 59.78 2dks h SER 18 Cb 1.32 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.96 2dks h SER 18 CO 0.50 0.48 -0.58 0.20 -0.53 0.00 0.00 176.83 176.89 2dks s ASN 19 N -6.50 1.08 0.57 6.23 -0.87 -1.26 -3.59 114.94 110.60 2dks s ASN 19 Ca 0.01 -0.31 0.09 0.00 -1.57 0.00 0.00 52.86 51.09 2dks s ASN 19 Cb 0.10 0.70 0.08 0.00 -0.02 0.00 0.00 41.25 42.11 2dks s ASN 19 CO 0.72 -0.34 0.76 0.00 -2.57 0.00 0.00 177.10 175.66 2dks s ALA 20 N 2.42 4.69 0.47 0.60 0.00 -0.94 -4.94 121.76 124.06 2dks s ALA 20 Ca 0.10 -2.07 0.06 0.00 0.00 0.00 0.00 51.96 50.05 2dks s ALA 20 Cb -0.15 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 2dks s ALA 20 CO -0.22 -0.83 0.27 0.00 0.00 0.00 0.00 175.76 174.98 2dks s ALA 21 N -2.68 4.01 0.10 0.00 0.00 -1.26 -1.45 121.76 120.48 2dks s ALA 21 Ca 0.59 -1.60 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 2dks s ALA 21 Cb -0.05 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.41 2dks s ALA 21 CO 0.37 -0.26 1.89 0.39 0.00 0.00 0.00 175.76 178.15 2dks n GLU 22 N -1.47 2.82 0.00 0.00 1.02 -1.17 -1.19 120.64 120.65 2dks n GLU 22 Ca -0.02 1.03 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 2dks n GLU 22 Cb 0.64 -2.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 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 4.34 3.19 3.71 0.62 0.00 0.79 -4.93 105.19 112.91 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 -0.84 -0.69 0.10 1.61 -0.14 -0.33 -3.49 119.74 115.95 2dks s LYS 24 Ca 0.00 -0.22 0.10 0.00 -1.36 0.00 0.00 55.97 54.49 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 -3.33 -0.27 -1.83 -0.76 0.00 0.00 175.35 169.16 2dks s GLU 25 N -5.60 1.55 -0.13 1.68 4.04 -1.26 -0.27 118.70 118.71 2dks s GLU 25 Ca 0.72 -1.25 -0.00 0.00 0.04 0.00 0.00 54.97 54.48 2dks s GLU 25 Cb -0.07 -1.91 0.02 0.00 0.02 0.00 0.00 34.13 32.19 2dks s GLU 25 CO 0.55 0.47 -0.10 0.08 -1.84 0.00 0.00 175.26 174.42 2dks s VAL 26 N -0.96 1.22 -0.44 1.83 1.01 0.11 -4.47 120.40 118.69 2dks s VAL 26 Ca 0.13 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 2dks s VAL 26 Cb -0.10 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.13 2dks s VAL 26 CO 0.04 0.40 0.39 -0.22 0.00 0.00 0.00 175.10 175.71 2dks s LEU 27 N 1.63 5.26 -0.80 3.92 2.96 0.11 -0.59 118.68 131.17 2dks s LEU 27 Ca 0.05 -1.03 -0.26 0.00 -0.22 0.00 0.00 54.13 52.67 2dks s LEU 27 Cb -0.13 -2.23 0.04 0.00 0.50 0.00 0.00 46.19 44.37 2dks s LEU 27 CO -0.09 -0.58 1.29 -0.76 -1.32 0.00 0.00 176.35 174.88 2dks s LEU 28 N 1.82 3.39 0.61 -0.68 1.43 -0.89 -1.56 118.68 122.79 2dks s LEU 28 Ca 0.07 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 2dks s LEU 28 Cb -0.21 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 2dks s LEU 28 CO 0.09 -1.71 1.04 -0.76 0.23 0.00 0.00 176.35 175.24 2dks s LEU 29 N 5.35 3.40 -0.03 1.79 1.43 -1.15 -3.01 118.68 126.45 2dks s LEU 29 Ca 0.36 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2dks s LEU 29 Cb -0.07 -4.51 -0.00 0.00 0.03 0.00 0.00 46.19 41.63 2dks s LEU 29 CO 0.08 -1.12 -0.15 -0.69 0.23 0.00 0.00 176.35 174.71 2dks s VAL 30 N -2.70 1.24 0.39 -1.59 1.01 -1.26 -2.08 120.40 115.40 2dks s VAL 30 Ca 0.61 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2dks s VAL 30 Cb -0.14 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 2dks s VAL 30 CO 0.42 0.36 0.04 -1.00 0.00 0.00 0.00 175.10 174.92 2dks s HIS 31 N -0.02 2.20 -1.06 5.22 0.09 -0.88 -4.73 115.29 116.12 2dks s HIS 31 Ca -0.01 -0.84 0.00 0.00 -0.00 0.00 0.00 55.06 54.20 2dks s HIS 31 Cb -0.10 -1.54 0.00 0.00 -0.00 0.00 0.00 32.58 30.95 2dks s HIS 31 CO 0.01 0.21 0.00 0.09 -0.00 0.00 0.00 174.74 175.06 2dks n ASN 32 N -0.91 -3.65 -4.38 1.40 3.02 -1.26 -2.86 115.26 106.62 2dks n ASN 32 Ca -0.05 0.22 -0.34 0.00 -0.03 0.00 0.00 54.58 54.38 2dks n ASN 32 Cb 0.67 -3.17 0.10 0.00 -0.61 0.00 0.00 39.78 36.77 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 -2.59 -0.66 -4.71 3.41 4.77 -1.26 -3.95 117.00 112.01 2dks n LEU 33 Ca -0.14 0.36 -0.30 0.00 -0.03 0.00 0.00 56.01 55.91 2dks n LEU 33 Cb 0.56 -1.16 0.14 0.00 -2.33 0.00 0.00 43.42 40.64 2dks n LEU 33 CO 0.17 -3.80 0.66 -2.16 -1.33 0.00 0.00 177.39 170.92 2dks s PRO 34 N -3.30 1.12 0.08 3.23 0.04 -1.26 -4.98 135.00 129.92 2dks s PRO 34 Ca 0.57 0.77 -0.35 0.00 0.04 0.00 0.00 61.00 62.03 2dks s PRO 34 Cb -0.23 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.34 2dks s PRO 34 CO 0.67 -2.33 1.58 -0.56 0.04 0.00 0.00 177.00 176.41 2dks h GLN 35 N -1.61 -0.96 -3.00 4.56 3.07 -1.99 -3.38 115.11 111.80 2dks h GLN 35 Ca -0.50 0.07 -0.60 0.00 0.09 0.00 0.00 58.65 57.70 2dks h GLN 35 Cb 1.29 0.22 -0.40 0.00 0.08 0.00 0.00 27.48 28.67 2dks h GLN 35 CO 0.55 -0.64 -0.76 -0.51 0.09 0.00 0.00 178.83 177.56 2dks s ASP 36 N -4.36 3.58 -1.16 0.06 1.11 -1.26 -5.06 116.67 109.59 2dks s ASP 36 Ca -0.18 -2.39 -0.23 0.00 0.18 0.00 0.00 52.55 49.93 2dks s ASP 36 Cb 0.04 -0.89 -0.08 0.00 1.07 0.00 0.00 42.92 43.06 2dks s ASP 36 CO 0.61 -0.30 1.93 -2.16 1.18 0.00 0.00 175.17 176.44 2dks s PRO 37 N 0.69 2.51 0.36 8.23 0.04 -1.26 -1.98 135.00 143.60 2dks s PRO 37 Ca 0.16 -1.08 0.29 0.00 0.04 0.00 0.00 61.00 60.42 2dks s PRO 37 Cb -0.23 -5.23 1.19 0.00 0.04 0.00 0.00 34.50 30.28 2dks s PRO 37 CO -0.03 -3.91 1.18 -2.13 0.04 0.00 0.00 177.00 172.14 2dks n ARG 38 N 8.34 -0.02 -3.64 4.56 0.63 0.66 -4.56 116.66 122.63 2dks n ARG 38 Ca 0.44 0.90 -0.02 0.00 -0.92 0.00 0.00 57.85 58.25 2dks n ARG 38 Cb 0.47 -1.87 -0.03 0.00 0.45 0.00 0.00 32.46 31.47 2dks n ARG 38 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2dks s GLY 39 N -3.84 -0.09 0.10 5.14 0.00 -1.16 -2.13 107.32 105.35 2dks s GLY 39 Ca -0.05 2.26 0.02 0.00 0.00 0.00 0.00 44.72 46.95 2dks s GLY 39 CO 0.64 0.82 0.18 -0.19 0.00 0.00 0.00 173.10 174.55 2dks s TYR 40 N -1.66 3.37 -0.24 1.90 2.02 0.77 -1.39 117.35 122.12 2dks s TYR 40 Ca 0.10 0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 56.89 2dks s TYR 40 Cb -0.01 -1.67 0.13 0.00 -0.40 0.00 0.00 41.96 40.01 2dks s TYR 40 CO -0.05 0.54 0.45 -0.80 -1.57 0.00 0.00 175.55 174.12 2dks s ASN 41 N -2.73 -0.28 0.34 2.29 0.01 -0.38 -1.12 114.94 113.08 2dks s ASN 41 Ca 0.33 0.70 0.03 0.00 -0.71 0.00 0.00 52.86 53.21 2dks s ASN 41 Cb -0.12 1.44 -0.02 0.00 0.41 0.00 0.00 41.25 42.97 2dks s ASN 41 CO 0.26 -0.26 0.51 0.26 -1.51 0.00 0.00 177.10 176.36 2dks s TRP 42 N 2.64 3.29 0.20 2.20 0.52 -0.85 -0.05 118.94 126.89 2dks s TRP 42 Ca 0.07 0.05 -0.16 0.00 0.02 0.00 0.00 56.10 56.08 2dks s TRP 42 Cb -0.14 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.24 2dks s TRP 42 CO -0.16 0.03 0.50 0.71 0.02 0.00 0.00 176.95 178.05 2dks s TYR 43 N -2.25 -0.02 -0.33 -1.98 1.51 0.16 -3.01 117.35 111.42 2dks s TYR 43 Ca 0.42 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 56.07 2dks s TYR 43 Cb -0.10 0.34 0.02 0.00 -0.11 0.00 0.00 41.96 42.11 2dks s TYR 43 CO 0.33 -0.92 0.13 0.21 -1.11 0.00 0.00 175.55 174.20 2dks s LYS 44 N -3.90 2.93 0.00 -0.62 2.20 -1.06 -1.79 119.74 117.49 2dks s LYS 44 Ca 0.11 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2dks s LYS 44 Cb -0.01 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2dks s LYS 44 CO -0.01 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 2dks n GLY 45 N 4.91 0.95 1.57 5.54 0.00 -0.67 -4.83 105.19 112.67 2dks n GLY 45 Ca -0.13 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 43.95 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 2.81 -3.68 1.61 1.02 -1.26 -3.03 120.64 118.10 2dks n GLU 46 Ca 0.00 -3.06 -0.01 0.00 -0.02 0.00 0.00 57.16 54.07 2dks n GLU 46 Cb 0.00 -2.02 -0.01 0.00 -0.02 0.00 0.00 31.44 29.39 2dks n GLU 46 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2dks s THR 47 N -3.08 0.00 -0.42 2.62 -1.32 -1.26 -5.02 115.64 107.15 2dks s THR 47 Ca 0.50 -0.43 -0.27 0.00 -1.21 0.00 0.00 61.69 60.27 2dks s THR 47 Cb 0.42 -1.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 2dks s THR 47 CO 0.08 0.00 2.13 -0.69 -2.21 0.00 0.00 174.62 173.94 2dks s VAL 48 N -2.85 3.17 -0.38 5.08 1.01 -1.26 -4.79 120.40 120.39 2dks s VAL 48 Ca 0.13 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2dks s VAL 48 Cb 0.02 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 33.17 2dks s VAL 48 CO -0.01 -0.28 0.11 -1.81 0.00 0.00 0.00 175.10 173.11 2dks s ASP 49 N 9.28 4.78 0.33 3.32 1.01 -1.26 -4.96 116.67 129.17 2dks s ASP 49 Ca 0.88 -2.27 0.01 0.00 0.71 0.00 0.00 52.55 51.88 2dks s ASP 49 Cb -0.21 -1.66 0.58 0.00 1.01 0.00 0.00 42.92 42.64 2dks s ASP 49 CO 0.28 -0.38 1.99 0.00 0.21 0.00 0.00 175.17 177.28 2dks h ALA 50 N 7.50 1.50 0.00 5.23 0.00 -1.97 -1.10 119.26 130.42 2dks h ALA 50 Ca -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2dks h ALA 50 Cb 1.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dks h ALA 50 CO 0.57 0.46 -0.13 -0.91 0.00 0.00 0.00 179.25 179.24 2dks h ASN 51 N 0.92 0.00 -0.45 0.00 2.35 -1.99 -1.68 115.58 114.73 2dks h ASN 51 Ca 0.25 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 2dks h ASN 51 Cb -0.09 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 2dks h ASN 51 CO -0.05 0.13 0.07 0.54 -1.65 0.00 0.00 177.43 176.46 2dks n ARG 52 N -4.02 3.20 -1.55 0.81 5.12 -0.48 -4.66 116.66 115.09 2dks n ARG 52 Ca -0.02 -3.01 -0.37 0.00 -1.93 0.00 0.00 57.85 52.52 2dks n ARG 52 Cb 0.21 -2.00 -0.03 0.00 -1.16 0.00 0.00 32.46 29.48 2dks n ARG 52 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2dks n ARG 53 N -0.39 1.13 0.41 5.56 0.63 -0.63 -2.58 116.66 120.79 2dks n ARG 53 Ca 0.30 0.04 -0.19 0.00 -0.92 0.00 0.00 57.85 57.08 2dks n ARG 53 Cb 1.09 -3.43 -0.09 0.00 0.45 0.00 0.00 32.46 30.48 2dks n ARG 53 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2dks h ILE 54 N 7.66 0.14 -1.91 5.15 2.04 -1.74 -3.19 117.51 125.66 2dks h ILE 54 Ca -0.26 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2dks h ILE 54 Cb 1.27 0.14 -0.20 0.00 -0.74 0.00 0.00 36.82 37.29 2dks h ILE 54 CO 1.14 0.00 0.33 -0.51 0.00 0.00 0.00 178.15 179.11 2dks s ILE 55 N -6.00 0.00 -0.02 -0.67 2.07 -1.26 -2.21 121.20 113.11 2dks s ILE 55 Ca -0.19 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.07 2dks s ILE 55 Cb 0.03 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.64 2dks s ILE 55 CO 0.61 0.00 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.77 2dks s GLY 56 N -1.30 0.33 -0.03 1.50 0.00 -1.13 -2.00 107.32 104.69 2dks s GLY 56 Ca -0.06 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.63 2dks s GLY 56 CO 0.05 0.22 -0.17 -0.47 0.00 0.00 0.00 173.10 172.73 2dks s TYR 57 N 0.52 1.58 -0.24 1.90 5.04 -0.27 -1.54 117.35 124.33 2dks s TYR 57 Ca -0.06 -0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 54.16 2dks s TYR 57 Cb -0.10 -1.04 0.01 0.00 0.35 0.00 0.00 41.96 41.18 2dks s TYR 57 CO -0.00 -0.10 -0.04 0.08 -1.34 0.00 0.00 175.55 174.15 2dks s VAL 58 N -0.16 3.13 0.27 3.14 1.01 0.84 -0.16 120.40 128.47 2dks s VAL 58 Ca 0.01 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2dks s VAL 58 Cb -0.09 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.79 2dks s VAL 58 CO 0.01 0.27 1.67 0.40 0.00 0.00 0.00 175.10 177.45 2dks h ILE 59 N 5.96 1.30 -0.87 2.22 2.04 -1.68 1.08 117.51 127.56 2dks h ILE 59 Ca -0.36 -1.50 0.17 0.00 1.00 0.00 0.00 64.86 64.17 2dks h ILE 59 Cb 1.13 1.61 -0.16 0.00 -0.74 0.00 0.00 36.82 38.65 2dks h ILE 59 CO 0.59 0.46 -0.24 0.77 0.00 0.00 0.00 178.15 179.73 2dks h SER 60 N 0.30 -0.89 0.00 1.72 4.64 -1.87 -2.62 113.55 114.83 2dks h SER 60 Ca 0.03 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2dks h SER 60 Cb 0.82 0.56 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2dks h SER 60 CO 0.07 -0.29 -0.17 -0.46 -0.87 0.00 0.00 176.83 175.11 2dks n ASN 61 N -5.55 1.29 -3.82 4.97 0.23 -1.21 -5.01 115.26 106.16 2dks n ASN 61 Ca 0.12 -2.38 -0.27 0.00 -0.53 0.00 0.00 54.58 51.52 2dks n ASN 61 Cb 0.43 -0.26 0.01 0.00 -2.08 0.00 0.00 39.78 37.89 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dks n GLN 62 N -0.70 -2.90 -3.85 -3.83 6.02 0.35 -4.96 117.38 107.51 2dks n GLN 62 Ca 0.07 0.46 -0.33 0.00 -0.01 0.00 0.00 57.00 57.19 2dks n GLN 62 Cb 0.60 -4.50 -0.05 0.00 1.02 0.00 0.00 30.24 27.31 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 -6.27 3.50 -0.08 -1.09 2.00 0.28 -4.87 119.66 113.12 2dks s GLN 63 Ca 0.15 -0.25 -0.00 0.00 -2.00 0.00 0.00 55.36 53.27 2dks s GLN 63 Cb -0.06 -3.06 0.02 0.00 0.80 0.00 0.00 33.01 30.72 2dks s GLN 63 CO 0.87 0.64 -0.05 0.42 -0.50 0.00 0.00 175.29 176.67 2dks s ILE 64 N -1.37 0.70 -0.27 -2.34 1.01 -1.26 -0.11 121.20 117.55 2dks s ILE 64 Ca 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 2dks s ILE 64 Cb -0.13 -0.76 0.09 0.00 0.01 0.00 0.00 42.46 41.67 2dks s ILE 64 CO 0.20 0.30 0.09 -0.89 0.00 0.00 0.00 174.94 174.63 2dks s THR 65 N 1.54 0.57 0.34 2.92 2.01 -0.59 -5.03 115.64 117.40 2dks s THR 65 Ca -0.00 -1.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.71 2dks s THR 65 Cb -0.13 -1.33 -0.10 0.00 0.01 0.00 0.00 72.50 70.95 2dks s THR 65 CO -0.04 -0.55 1.22 -2.16 -0.69 0.00 0.00 174.62 172.40 2dks s PRO 66 N 1.79 4.34 0.00 4.92 0.04 -1.26 -2.84 135.00 142.00 2dks s PRO 66 Ca 0.06 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2dks s PRO 66 Cb -0.17 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2dks s PRO 66 CO -0.23 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.10 2dks n GLY 67 N 0.86 1.74 0.22 0.56 0.00 -0.94 -4.97 105.19 102.66 2dks n GLY 67 Ca 0.01 -2.04 0.09 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.25 1.61 0.13 -1.82 -3.02 132.00 127.64 2dks h PRO 68 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 2dks h PRO 68 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 2dks h PRO 68 CO 0.00 0.25 0.41 0.00 -0.23 0.00 0.00 178.00 178.42 2dks n ALA 69 N -2.27 4.71 -2.63 -0.56 0.00 -1.21 -4.87 120.51 113.67 2dks n ALA 69 Ca -0.01 -1.67 -0.32 0.00 0.00 0.00 0.00 53.44 51.44 2dks n ALA 69 Cb 0.40 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.87 2.48 -0.04 0.00 5.04 -1.14 -4.41 117.35 117.41 2dks s TYR 70 Ca 0.32 -0.57 0.06 0.00 -2.44 0.00 0.00 57.07 54.43 2dks s TYR 70 Cb 0.26 -1.60 0.09 0.00 0.35 0.00 0.00 41.96 41.06 2dks s TYR 70 CO 0.02 -0.12 1.04 0.45 -1.34 0.00 0.00 175.55 175.60 2dks n SER 71 N 2.79 0.75 -3.15 4.32 2.88 -1.26 -4.99 113.62 114.95 2dks n SER 71 Ca -0.17 -2.33 -0.19 0.00 -1.33 0.00 0.00 58.87 54.85 2dks n SER 71 Cb 0.52 -0.27 0.07 0.00 -0.75 0.00 0.00 64.21 63.78 2dks n SER 71 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dks n ASN 72 N -0.45 -4.62 0.00 -3.46 5.15 -1.26 -4.89 115.26 105.72 2dks n ASN 72 Ca 0.05 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 2dks n ASN 72 Cb 0.68 -4.44 0.00 0.00 -0.53 0.00 0.00 39.78 35.48 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2dks n ARG 73 N -4.18 1.38 -2.93 1.20 1.74 -1.26 -5.08 116.66 107.53 2dks n ARG 73 Ca -0.07 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.72 2dks n ARG 73 Cb 0.58 -0.81 -0.02 0.00 -1.02 0.00 0.00 32.46 31.20 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 -1.61 3.66 -0.12 5.56 8.01 -1.26 -3.60 118.70 129.34 2dks s GLU 74 Ca 0.00 0.24 -0.05 0.00 0.01 0.00 0.00 54.97 55.17 2dks s GLU 74 Cb 0.00 -2.46 0.06 0.00 -4.31 0.00 0.00 34.13 27.42 2dks s GLU 74 CO 0.00 -0.02 0.25 0.99 0.01 0.00 0.00 175.26 176.49 2dks s THR 75 N -2.42 -0.34 0.99 3.63 2.01 -0.92 -4.97 115.64 113.63 2dks s THR 75 Ca 0.48 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.62 2dks s THR 75 Cb -0.10 -0.42 0.18 0.00 0.01 0.00 0.00 72.50 72.17 2dks s THR 75 CO 0.35 0.11 1.09 -0.63 -0.69 0.00 0.00 174.62 174.85 2dks s ILE 76 N 2.21 2.21 0.11 1.82 1.09 -1.26 -1.29 121.20 126.08 2dks s ILE 76 Ca -0.01 0.07 0.01 0.00 -1.10 0.00 0.00 60.65 59.62 2dks s ILE 76 Cb -0.12 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.72 2dks s ILE 76 CO -0.08 -0.09 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.33 2dks s TYR 77 N -2.92 0.85 -2.00 3.97 1.51 0.71 -4.85 117.35 114.62 2dks s TYR 77 Ca 0.65 -1.02 0.10 0.00 -1.01 0.00 0.00 57.07 55.79 2dks s TYR 77 Cb -0.19 -0.51 0.62 0.00 -0.11 0.00 0.00 41.96 41.77 2dks s TYR 77 CO 0.58 -0.28 1.06 -0.35 -1.11 0.00 0.00 175.55 175.45 2dks n PRO 78 N -0.05 0.49 -0.42 -1.71 -0.04 -1.26 -2.14 135.00 129.87 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 0.62 -1.34 0.16 0.00 -0.04 0.00 0.00 33.50 32.90 2dks n PRO 78 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dks n ASN 79 N -0.84 1.84 -1.62 3.54 5.15 -1.26 -4.95 115.26 117.13 2dks n ASN 79 Ca 0.08 -3.32 -0.17 0.00 -0.60 0.00 0.00 54.58 50.57 2dks n ASN 79 Cb 0.04 -0.45 -0.04 0.00 -0.53 0.00 0.00 39.78 38.79 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dks n ALA 80 N -1.09 -0.38 -2.89 5.20 0.00 -0.91 -4.38 120.51 116.07 2dks n ALA 80 Ca 0.16 0.21 -0.28 0.00 0.00 0.00 0.00 53.44 53.53 2dks n ALA 80 Cb 0.70 -1.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 6.07 -0.12 0.00 0.01 -1.25 -4.73 113.70 111.14 2dks s SER 81 Ca 0.00 0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.37 2dks s SER 81 Cb 0.00 -1.77 0.02 0.00 0.21 0.00 0.00 66.02 64.49 2dks s SER 81 CO 0.00 0.10 -0.10 -0.22 0.41 0.00 0.00 173.24 173.43 2dks s LEU 82 N -2.93 1.33 -0.27 2.44 2.96 -1.16 -0.21 118.68 120.84 2dks s LEU 82 Ca 0.33 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.70 2dks s LEU 82 Cb -0.11 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 2dks s LEU 82 CO 0.26 -0.10 0.57 -0.22 -1.32 0.00 0.00 176.35 175.54 2dks s LEU 83 N 1.61 4.08 -0.32 -0.68 2.96 -0.41 -2.10 118.68 123.82 2dks s LEU 83 Ca 0.04 0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 54.39 2dks s LEU 83 Cb -0.13 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 2dks s LEU 83 CO -0.08 -0.35 0.18 -0.32 -1.32 0.00 0.00 176.35 174.45 2dks s MET 84 N 2.42 3.42 0.07 1.98 -2.45 0.24 -2.16 119.30 122.82 2dks s MET 84 Ca 0.23 -0.67 0.01 0.00 -1.25 0.00 0.00 55.69 54.01 2dks s MET 84 Cb -0.15 -3.63 -0.04 0.00 1.25 0.00 0.00 34.83 32.25 2dks s MET 84 CO 0.09 -0.41 0.18 1.03 1.05 0.00 0.00 175.02 176.97 2dks s ARG 85 N 1.65 3.32 -1.21 4.11 0.52 -1.24 0.04 118.95 126.15 2dks s ARG 85 Ca 0.05 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 2dks s ARG 85 Cb -0.17 -2.97 -0.00 0.00 0.52 0.00 0.00 34.95 32.32 2dks s ARG 85 CO 0.08 0.60 0.95 0.09 0.02 0.00 0.00 175.30 177.03 2dks n ASN 86 N 0.31 -2.23 -4.74 0.23 3.02 -0.80 -4.89 115.26 106.16 2dks n ASN 86 Ca -0.06 -0.66 -0.41 0.00 -0.03 0.00 0.00 54.58 53.42 2dks n ASN 86 Cb 0.51 -4.97 -0.03 0.00 -0.61 0.00 0.00 39.78 34.69 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 -3.41 2.92 0.24 2.41 -7.23 0.63 -4.53 120.40 111.43 2dks s VAL 87 Ca 0.03 0.75 0.10 0.00 -1.81 0.00 0.00 61.98 61.05 2dks s VAL 87 Cb -0.01 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 2dks s VAL 87 CO 0.74 0.11 -0.18 0.42 -0.31 0.00 0.00 175.10 175.88 2dks s THR 88 N 0.22 2.16 0.48 5.32 -4.23 -1.26 -0.15 115.64 118.17 2dks s THR 88 Ca 0.60 -2.29 0.33 0.00 -1.18 0.00 0.00 61.69 59.14 2dks s THR 88 Cb -0.39 -2.17 0.53 0.00 1.34 0.00 0.00 72.50 71.81 2dks s THR 88 CO 0.39 -0.46 1.69 0.03 -0.54 0.00 0.00 174.62 175.73 2dks h ARG 89 N 2.47 0.10 -0.08 3.99 3.08 -1.95 0.37 114.38 122.36 2dks h ARG 89 Ca -0.40 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 2dks h ARG 89 Cb 1.24 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 2dks h ARG 89 CO 0.60 0.07 0.02 -0.91 -1.07 0.00 0.00 179.97 178.68 2dks h ASN 90 N 0.11 0.12 -0.99 7.04 4.21 -1.95 -2.95 115.58 121.17 2dks h ASN 90 Ca 0.73 -0.21 0.34 0.00 1.21 0.00 0.00 56.30 58.37 2dks h ASN 90 Cb 2.51 -0.03 -0.18 0.00 -1.12 0.00 0.00 38.32 39.50 2dks h ASN 90 CO -0.21 0.30 0.30 0.44 -1.29 0.00 0.00 177.43 176.97 2dks h ASP 91 N -0.06 -0.04 -0.95 5.81 5.19 -0.65 -3.40 116.42 122.32 2dks h ASP 91 Ca 0.03 0.26 -0.84 0.00 -0.62 0.00 0.00 57.03 55.86 2dks h ASP 91 Cb 0.23 0.36 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2dks h ASP 91 CO -0.00 -0.38 0.84 0.41 -3.12 0.00 0.00 179.24 176.99 2dks n THR 92 N -5.35 0.06 0.00 0.35 -1.04 -1.12 -4.63 114.28 102.55 2dks n THR 92 Ca 0.30 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 2dks n THR 92 Cb 1.02 -0.65 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 4.61 -0.49 3.06 3.41 0.00 -1.26 -5.06 105.19 109.46 2dks n GLY 93 Ca 0.34 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 46.45 2dks n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dks s SER 94 N -4.00 1.13 -0.18 1.61 1.04 -1.26 -4.56 113.70 107.47 2dks s SER 94 Ca 0.00 -0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 2dks s SER 94 Cb 0.00 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.11 2dks s SER 94 CO 0.00 0.02 0.11 -0.31 0.98 0.00 0.00 173.24 174.03 2dks s TYR 95 N -0.63 0.15 0.03 5.02 1.51 -1.20 -1.66 117.35 120.57 2dks s TYR 95 Ca -0.00 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 55.54 2dks s TYR 95 Cb -0.06 -0.68 -0.06 0.00 -0.11 0.00 0.00 41.96 41.06 2dks s TYR 95 CO 0.00 -0.55 0.62 0.99 -1.11 0.00 0.00 175.55 175.51 2dks s THR 96 N 2.16 4.81 -0.20 -0.71 2.01 -0.74 -1.14 115.64 121.82 2dks s THR 96 Ca 0.03 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.35 2dks s THR 96 Cb -0.16 -3.96 0.05 0.00 0.01 0.00 0.00 72.50 68.44 2dks s THR 96 CO -0.12 0.45 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.97 2dks s LEU 97 N -0.45 2.20 -0.10 4.42 1.98 -0.61 0.37 118.68 126.48 2dks s LEU 97 Ca 0.32 -0.93 -0.06 0.00 -2.89 0.00 0.00 54.13 50.56 2dks s LEU 97 Cb -0.19 -1.13 -0.04 0.00 0.66 0.00 0.00 46.19 45.49 2dks s LEU 97 CO 0.19 -0.19 0.14 -1.58 -1.89 0.00 0.00 176.35 173.02 2dks s GLN 98 N 1.46 3.42 -0.18 1.98 0.74 0.92 -2.28 119.66 125.72 2dks s GLN 98 Ca -0.02 -0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.23 2dks s GLN 98 Cb -0.17 -3.16 0.03 0.00 1.10 0.00 0.00 33.01 30.81 2dks s GLN 98 CO -0.07 0.76 -0.15 0.08 -0.55 0.00 0.00 175.29 175.36 2dks s VAL 99 N -1.06 1.78 0.22 1.34 1.01 -1.21 -1.25 120.40 121.24 2dks s VAL 99 Ca 0.16 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 2dks s VAL 99 Cb -0.12 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 2dks s VAL 99 CO 0.06 0.38 0.81 -0.63 0.00 0.00 0.00 175.10 175.72 2dks s ILE 100 N 1.38 4.37 0.02 2.22 1.09 -0.49 -0.28 121.20 129.51 2dks s ILE 100 Ca 0.03 1.63 0.04 0.00 -1.10 0.00 0.00 60.65 61.24 2dks s ILE 100 Cb -0.14 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.18 2dks s ILE 100 CO -0.10 0.35 -0.07 -0.54 -0.10 0.00 0.00 174.94 174.47 2dks s LYS 101 N -1.59 2.49 0.61 2.79 1.02 0.06 0.24 119.74 125.36 2dks s LYS 101 Ca 0.41 -0.77 0.16 0.00 0.02 0.00 0.00 55.97 55.80 2dks s LYS 101 Cb -0.20 -2.47 0.89 0.00 -0.52 0.00 0.00 37.83 35.53 2dks s LYS 101 CO 0.25 0.59 1.48 -0.07 -0.92 0.00 0.00 175.35 176.67 2dks h LEU 102 N 4.36 0.00 -2.40 3.17 -0.00 -1.72 0.22 115.31 118.95 2dks h LEU 102 Ca -0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.29 2dks h LEU 102 Cb 1.17 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.76 2dks h LEU 102 CO 0.54 0.00 0.13 -3.20 -0.00 0.00 0.00 178.44 175.91 2dks n ASN 103 N -2.61 3.14 -3.99 -0.43 5.15 -1.26 -4.81 115.26 110.45 2dks n ASN 103 Ca -0.01 -2.33 -0.31 0.00 -0.60 0.00 0.00 54.58 51.33 2dks n ASN 103 Cb 0.61 -0.57 0.01 0.00 -0.53 0.00 0.00 39.78 39.29 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 0.16 -2.33 -4.67 1.20 4.77 0.76 -4.96 117.00 111.93 2dks n LEU 104 Ca 0.12 -0.87 -0.31 0.00 -0.03 0.00 0.00 56.01 54.93 2dks n LEU 104 Cb 0.74 -2.40 -0.07 0.00 -2.33 0.00 0.00 43.42 39.35 2dks n LEU 104 CO 0.12 0.41 -0.22 -0.04 -1.33 0.00 0.00 177.39 176.33 2dks s MET 105 N -6.66 2.12 -0.04 3.23 -1.94 -1.02 -4.95 119.30 110.04 2dks s MET 105 Ca 0.58 -2.35 -0.19 0.00 -1.71 0.00 0.00 55.69 52.02 2dks s MET 105 Cb -0.30 -1.14 0.04 0.00 2.01 0.00 0.00 34.83 35.44 2dks s MET 105 CO 0.86 -0.44 0.42 -1.54 -0.01 0.00 0.00 175.02 174.31 2dks s SER 106 N -3.79 -0.35 0.52 3.03 1.04 -1.26 -0.76 113.70 112.13 2dks s SER 106 Ca 0.11 0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.92 2dks s SER 106 Cb 0.01 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2dks s SER 106 CO 0.07 -0.46 0.27 -0.62 0.98 0.00 0.00 173.24 173.48 2dks n GLU 107 N 1.36 0.74 -3.74 4.02 -0.58 0.61 -4.90 120.64 118.15 2dks n GLU 107 Ca -0.20 -3.41 -0.12 0.00 -0.42 0.00 0.00 57.16 53.01 2dks n GLU 107 Cb 0.56 0.55 -0.12 0.00 -0.57 0.00 0.00 31.44 31.86 2dks n GLU 107 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2dks s GLU 108 N -4.05 0.32 -0.26 3.49 2.02 -1.26 -3.32 118.70 115.64 2dks s GLU 108 Ca 0.21 0.56 -0.03 0.00 0.02 0.00 0.00 54.97 55.72 2dks s GLU 108 Cb -0.02 0.03 0.15 0.00 0.10 0.00 0.00 34.13 34.38 2dks s GLU 108 CO 0.13 -0.11 0.47 0.54 0.02 0.00 0.00 175.26 176.30 2dks s VAL 109 N 0.85 -0.75 -0.67 2.63 0.11 -0.97 -4.80 120.40 116.80 2dks s VAL 109 Ca -0.06 -0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.72 2dks s VAL 109 Cb -0.06 -0.86 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 2dks s VAL 109 CO -0.06 -0.05 1.16 -0.89 -3.33 0.00 0.00 175.10 171.93 2dks s THR 110 N 2.67 3.98 -0.25 5.04 2.01 -1.26 -1.57 115.64 126.25 2dks s THR 110 Ca 0.12 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.48 2dks s THR 110 Cb -0.15 -4.79 0.06 0.00 0.01 0.00 0.00 72.50 67.63 2dks s THR 110 CO -0.17 -1.59 -0.09 -0.83 -0.69 0.00 0.00 174.62 171.25 2dks s GLY 111 N 3.47 1.51 0.25 4.40 0.00 -0.29 -4.76 107.32 111.90 2dks s GLY 111 Ca 0.33 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.45 2dks s GLY 111 CO 0.17 0.74 0.04 0.61 0.00 0.00 0.00 173.10 174.65 2dks n GLN 112 N 4.52 1.04 -3.75 2.90 0.00 -1.26 -4.11 117.38 116.72 2dks n GLN 112 Ca -0.13 -1.93 -0.14 0.00 0.00 0.00 0.00 57.00 54.80 2dks n GLN 112 Cb 0.43 0.77 -0.04 0.00 0.00 0.00 0.00 30.24 31.40 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 -0.59 -1.06 -4.50 2.61 -1.74 -1.26 -4.40 117.46 106.52 2dks n PHE 113 Ca -0.07 -2.18 -0.22 0.00 -0.56 0.00 0.00 57.45 54.42 2dks n PHE 113 Cb 0.34 0.39 -0.14 0.00 1.52 0.00 0.00 39.48 41.59 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 -2.92 1.90 -0.06 5.98 0.01 -1.24 -4.09 113.70 113.29 2dks s SER 114 Ca 0.29 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.16 2dks s SER 114 Cb 0.00 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2dks s SER 114 CO 0.20 0.10 -0.23 -0.69 0.41 0.00 0.00 173.24 173.03 2dks s VAL 115 N -0.74 1.90 0.02 3.43 1.01 -1.26 -2.23 120.40 122.53 2dks s VAL 115 Ca 0.04 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.10 2dks s VAL 115 Cb -0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2dks s VAL 115 CO 0.01 0.53 -0.16 -1.38 0.00 0.00 0.00 175.10 174.10 2dks s HIS 116 N -0.05 1.37 0.05 5.22 -3.43 -0.53 -4.76 115.29 113.16 2dks s HIS 116 Ca -0.06 -0.32 -0.31 0.00 -0.80 0.00 0.00 55.06 53.58 2dks s HIS 116 Cb -0.14 -0.84 -0.07 0.00 -1.43 0.00 0.00 32.58 30.11 2dks s HIS 116 CO 0.04 0.03 1.41 -1.25 -2.00 0.00 0.00 174.74 172.97 2dks s PRO 117 N -0.89 4.30 0.00 -0.38 0.04 -1.26 -3.05 135.00 133.76 2dks s PRO 117 Ca 0.04 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 2dks s PRO 117 Cb -0.07 -3.45 -0.19 0.00 0.04 0.00 0.00 34.50 30.82 2dks s PRO 117 CO 0.01 -0.53 2.99 -1.91 0.04 0.00 0.00 177.00 177.60 2dks n GLU 118 N 4.84 1.61 -4.17 4.56 2.13 -1.26 -4.81 120.64 123.54 2dks n GLU 118 Ca 0.13 -0.71 -0.13 0.00 0.66 0.00 0.00 57.16 57.11 2dks n GLU 118 Cb 0.43 -1.76 -0.11 0.00 0.27 0.00 0.00 31.44 30.27 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 1.00 0.84 0.16 6.31 -4.23 -1.26 -5.12 115.64 113.34 2dks s THR 119 Ca 0.48 -1.70 -0.31 0.00 -1.18 0.00 0.00 61.69 58.98 2dks s THR 119 Cb 0.23 -1.41 -0.08 0.00 1.34 0.00 0.00 72.50 72.58 2dks s THR 119 CO 0.00 -0.65 1.33 -2.16 -0.54 0.00 0.00 174.62 172.60 2dks s PRO 120 N -3.04 4.37 -0.53 3.99 0.04 -1.26 -4.99 135.00 133.57 2dks s PRO 120 Ca 0.06 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.98 2dks s PRO 120 Cb -0.01 -3.23 0.11 0.00 0.04 0.00 0.00 34.50 31.42 2dks s PRO 120 CO -0.01 -0.32 0.51 0.21 0.04 0.00 0.00 177.00 177.43 2dks s LYS 121 N 0.42 3.00 -0.55 4.56 2.36 -1.26 -5.02 119.74 123.25 2dks s LYS 121 Ca 0.60 -1.56 -0.27 0.00 -2.55 0.00 0.00 55.97 52.19 2dks s LYS 121 Cb -0.36 -4.26 -0.02 0.00 -1.05 0.00 0.00 37.83 32.14 2dks s LYS 121 CO 0.35 -1.29 1.83 -1.25 1.55 0.00 0.00 175.35 176.53 2dks s PRO 122 N 1.78 2.80 0.28 4.03 0.04 -1.26 -4.95 135.00 137.72 2dks s PRO 122 Ca 0.05 0.77 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 2dks s PRO 122 Cb -0.28 -4.33 -0.14 0.00 0.04 0.00 0.00 34.50 29.78 2dks s PRO 122 CO 0.04 -2.52 0.96 -1.13 0.04 0.00 0.00 177.00 174.40 2dks n SER 123 N 12.11 1.02 -4.07 6.66 3.41 -1.26 -4.99 113.62 126.50 2dks n SER 123 Ca 0.21 1.17 -0.17 0.00 -0.26 0.00 0.00 58.87 59.82 2dks n SER 123 Cb 0.51 -1.25 -0.13 0.00 -0.26 0.00 0.00 64.21 63.08 2dks n SER 123 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2dks s ILE 124 N -1.02 0.77 0.25 -1.33 -4.36 -1.26 -5.04 121.20 109.22 2dks s ILE 124 Ca 0.60 -0.78 -0.02 0.00 -0.26 0.00 0.00 60.65 60.18 2dks s ILE 124 Cb -0.73 -0.72 0.23 0.00 1.25 0.00 0.00 42.46 42.49 2dks s ILE 124 CO 0.59 -0.04 1.75 0.28 0.24 0.00 0.00 174.94 177.75 2dks h SER 125 N 5.17 0.41 -3.49 4.36 0.02 -2.07 -3.48 113.55 114.48 2dks h SER 125 Ca -0.34 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2dks h SER 125 Cb 1.19 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2dks h SER 125 CO 0.45 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 2dks n GLY 126 N -1.32 -3.07 3.57 -3.77 0.00 -1.26 -4.86 105.19 94.47 2dks n GLY 126 Ca 0.16 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.79 2.94 -0.48 1.61 0.04 -1.26 -4.89 135.00 129.17 2dks s PRO 127 Ca 0.00 0.90 -0.39 0.00 0.04 0.00 0.00 61.00 61.55 2dks s PRO 127 Cb 0.00 -4.29 -0.16 0.00 0.04 0.00 0.00 34.50 30.09 2dks s PRO 127 CO 0.00 -2.34 2.22 0.45 0.04 0.00 0.00 177.00 177.37 2dks n SER 128 N 11.58 1.33 -3.84 6.66 2.88 -1.26 -4.90 113.62 126.07 2dks n SER 128 Ca 0.21 0.49 -0.12 0.00 -1.33 0.00 0.00 58.87 58.11 2dks n SER 128 Cb 0.50 -1.07 -0.13 0.00 -0.75 0.00 0.00 64.21 62.75 2dks n SER 128 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dks s SER 129 N 7.00 -0.09 0.00 -3.46 0.01 -1.26 -5.33 113.70 110.57 2dks s SER 129 Ca 1.16 0.17 0.23 0.00 1.31 0.00 0.00 55.95 58.82 2dks s SER 129 Cb -1.17 0.17 0.18 0.00 0.21 0.00 0.00 66.02 65.41 2dks s SER 129 CO 0.56 -0.03 1.22 0.61 0.41 0.00 0.00 173.24 176.01