#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 -0.02 0.44 1.61 1.04 -1.26 -5.17 113.70 110.34 2dks s SER 2 Ca 0.00 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.23 2dks s SER 2 Cb 0.00 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 2dks s SER 2 CO 0.00 -0.46 0.65 -0.94 0.98 0.00 0.00 173.24 173.46 2dks s SER 3 N -1.67 5.85 0.00 7.02 1.04 -1.26 -5.04 113.70 119.64 2dks s SER 3 Ca -0.11 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2dks s SER 3 Cb -0.04 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2dks s SER 3 CO -0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2dks n GLY 4 N -2.03 -0.62 2.75 7.32 0.00 -1.26 -5.11 105.19 106.24 2dks n GLY 4 Ca 0.01 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.07 1.82 0.07 1.61 0.01 -1.26 -5.14 113.70 107.74 2dks s SER 5 Ca 0.00 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.07 2dks s SER 5 Cb 0.00 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 2dks s SER 5 CO 0.00 -0.23 -0.12 -0.44 0.41 0.00 0.00 173.24 172.87 2dks s SER 6 N 1.98 1.40 0.00 2.44 0.01 -1.26 -5.14 113.70 113.13 2dks s SER 6 Ca 0.04 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2dks s SER 6 Cb -0.13 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2dks s SER 6 CO -0.06 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2dks n GLY 7 N 1.24 3.21 2.76 3.44 0.00 -1.26 -5.12 105.19 109.46 2dks n GLY 7 Ca -0.21 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.33 0.87 -4.39 2.61 5.66 -1.26 -4.92 114.28 111.53 2dks n THR 8 Ca 0.00 -0.22 -0.34 0.00 -3.05 0.00 0.00 64.05 60.44 2dks n THR 8 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 -0.44 3.09 -0.15 1.79 0.00 -1.26 -5.10 121.76 119.69 2dks s ALA 9 Ca 0.61 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 2dks s ALA 9 Cb -0.87 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 20.76 2dks s ALA 9 CO 0.45 0.32 0.37 1.14 0.00 0.00 0.00 175.76 178.04 2dks s GLN 10 N 0.01 0.36 -0.44 0.00 -2.07 -1.26 -5.09 119.66 111.17 2dks s GLN 10 Ca 0.01 0.69 -0.42 0.00 -1.82 0.00 0.00 55.36 53.83 2dks s GLN 10 Cb -0.13 -0.01 -0.17 0.00 -1.09 0.00 0.00 33.01 31.61 2dks s GLN 10 CO 0.02 -0.14 2.09 -0.11 -1.32 0.00 0.00 175.29 175.83 2dks n LEU 11 N 4.06 1.27 -4.44 2.60 7.94 -1.26 -4.63 117.00 122.54 2dks n LEU 11 Ca -0.22 0.66 -0.22 0.00 -1.11 0.00 0.00 56.01 55.12 2dks n LEU 11 Cb 0.55 -1.01 -0.10 0.00 0.53 0.00 0.00 43.42 43.39 2dks n LEU 11 CO 0.10 -0.74 -0.24 0.28 -1.11 0.00 0.00 177.39 175.68 2dks s THR 12 N 6.03 0.85 -0.11 1.96 -1.32 -1.18 -4.57 115.64 117.30 2dks s THR 12 Ca 1.15 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 59.55 2dks s THR 12 Cb -1.29 -2.61 0.04 0.00 -1.51 0.00 0.00 72.50 67.12 2dks s THR 12 CO 0.62 0.00 0.28 -0.63 -2.21 0.00 0.00 174.62 172.69 2dks s ILE 13 N -3.37 -0.02 -0.20 5.08 1.01 -1.26 -1.28 121.20 121.16 2dks s ILE 13 Ca 0.33 0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.04 2dks s ILE 13 Cb 0.06 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 42.16 2dks s ILE 13 CO 0.15 0.02 -0.13 -0.70 0.00 0.00 0.00 174.94 174.28 2dks s GLU 14 N 0.63 2.29 0.25 2.79 2.12 -0.83 -4.83 118.70 121.12 2dks s GLU 14 Ca -0.04 -0.87 -0.31 0.00 0.36 0.00 0.00 54.97 54.11 2dks s GLU 14 Cb -0.05 -2.47 -0.12 0.00 0.26 0.00 0.00 34.13 31.75 2dks s GLU 14 CO -0.04 -0.38 1.55 0.00 -0.54 0.00 0.00 175.26 175.86 2dks n ALA 15 N 4.65 2.03 -3.57 6.30 0.00 -1.26 -2.80 120.51 125.85 2dks n ALA 15 Ca -0.16 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.40 2dks n ALA 15 Cb 0.47 -2.40 -0.16 0.00 0.00 0.00 0.00 19.45 17.36 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 0.22 -0.08 0.87 0.00 1.01 -0.30 -3.02 120.40 119.10 2dks s VAL 16 Ca 0.68 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2dks s VAL 16 Cb -0.56 -0.78 0.22 0.00 0.00 0.00 0.00 36.38 35.25 2dks s VAL 16 CO 0.46 -0.51 0.78 -0.81 0.00 0.00 0.00 175.10 175.01 2dks n PRO 17 N 5.27 -2.54 0.13 2.72 -0.04 -1.26 0.07 135.00 139.35 2dks n PRO 17 Ca -0.06 -1.24 0.08 0.00 -0.04 0.00 0.00 63.50 62.24 2dks n PRO 17 Cb 0.45 -1.16 0.04 0.00 -0.04 0.00 0.00 33.50 32.79 2dks n PRO 17 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dks h SER 18 N -2.23 0.00 -1.72 3.54 0.87 -1.92 -3.44 113.55 108.65 2dks h SER 18 Ca -0.29 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.13 2dks h SER 18 Cb 0.89 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.57 2dks h SER 18 CO 0.19 0.17 -0.47 0.54 -0.53 0.00 0.00 176.83 176.73 2dks s ASN 19 N -5.85 0.08 0.32 6.23 4.22 -1.26 -3.29 114.94 115.38 2dks s ASN 19 Ca 0.02 0.09 0.07 0.00 -2.14 0.00 0.00 52.86 50.90 2dks s ASN 19 Cb 0.08 1.24 -0.02 0.00 1.28 0.00 0.00 41.25 43.83 2dks s ASN 19 CO 0.75 -0.31 0.38 0.00 -2.04 0.00 0.00 177.10 175.88 2dks s ALA 20 N 2.58 4.03 0.14 3.54 0.00 -1.10 -4.93 121.76 126.02 2dks s ALA 20 Ca 0.12 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 2dks s ALA 20 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2dks s ALA 20 CO -0.21 0.02 0.32 0.00 0.00 0.00 0.00 175.76 175.88 2dks s ALA 21 N -2.21 3.90 -0.10 0.00 0.00 -1.26 -2.01 121.76 120.08 2dks s ALA 21 Ca 0.42 -0.81 -0.41 0.00 0.00 0.00 0.00 51.96 51.16 2dks s ALA 21 Cb -0.08 -1.94 -0.19 0.00 0.00 0.00 0.00 23.12 20.91 2dks s ALA 21 CO 0.29 0.62 1.25 0.39 0.00 0.00 0.00 175.76 178.31 2dks n GLU 22 N -0.21 0.24 0.00 0.00 1.02 -1.25 0.44 120.64 120.89 2dks n GLU 22 Ca -0.05 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2dks n GLU 22 Cb 0.53 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 2.30 1.21 3.94 0.62 0.00 -0.84 -4.95 105.19 107.48 2dks n GLY 23 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.72 1.84 0.01 1.61 -0.14 0.17 -4.07 119.74 118.45 2dks s LYS 24 Ca 0.00 -0.40 0.05 0.00 -1.36 0.00 0.00 55.97 54.27 2dks s LYS 24 Cb 0.00 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.99 2dks s LYS 24 CO 0.00 -1.48 -0.14 -1.21 -0.76 0.00 0.00 175.35 171.76 2dks s GLU 25 N -5.35 2.30 -0.11 1.68 2.02 -1.26 -1.73 118.70 116.24 2dks s GLU 25 Ca 0.63 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.80 2dks s GLU 25 Cb -0.09 -2.31 0.01 0.00 0.10 0.00 0.00 34.13 31.84 2dks s GLU 25 CO 0.46 0.57 -0.18 0.08 0.02 0.00 0.00 175.26 176.21 2dks s VAL 26 N -0.91 1.71 -0.43 2.63 1.01 0.21 -4.58 120.40 120.04 2dks s VAL 26 Ca 0.15 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2dks s VAL 26 Cb -0.11 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.80 2dks s VAL 26 CO 0.05 0.48 0.32 -0.22 0.00 0.00 0.00 175.10 175.73 2dks s LEU 27 N 0.78 5.27 -0.81 3.92 2.96 0.11 -0.10 118.68 130.80 2dks s LEU 27 Ca -0.10 -1.22 -0.23 0.00 -0.22 0.00 0.00 54.13 52.35 2dks s LEU 27 Cb -0.16 -2.11 0.06 0.00 0.50 0.00 0.00 46.19 44.49 2dks s LEU 27 CO 0.01 -0.54 1.21 -0.76 -1.32 0.00 0.00 176.35 174.95 2dks s LEU 28 N 1.59 3.90 0.63 -0.68 1.43 -0.93 -1.15 118.68 123.47 2dks s LEU 28 Ca 0.04 -1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 51.89 2dks s LEU 28 Cb -0.22 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2dks s LEU 28 CO 0.06 -1.52 1.07 -0.76 0.23 0.00 0.00 176.35 175.43 2dks s LEU 29 N 4.58 3.38 -0.06 1.79 1.43 -1.12 -3.03 118.68 125.65 2dks s LEU 29 Ca 0.34 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 2dks s LEU 29 Cb -0.08 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.63 2dks s LEU 29 CO 0.04 -1.35 -0.11 -0.69 0.23 0.00 0.00 176.35 174.47 2dks s VAL 30 N -2.58 1.06 0.54 -1.59 1.01 -1.26 -1.96 120.40 115.61 2dks s VAL 30 Ca 0.63 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2dks s VAL 30 Cb -0.16 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2dks s VAL 30 CO 0.42 0.34 0.32 -1.00 0.00 0.00 0.00 175.10 175.18 2dks s HIS 31 N 0.71 1.69 -0.70 5.22 0.09 -0.41 -4.61 115.29 117.28 2dks s HIS 31 Ca -0.14 -0.86 0.00 0.00 -0.00 0.00 0.00 55.06 54.06 2dks s HIS 31 Cb -0.16 -1.85 0.00 0.00 -0.00 0.00 0.00 32.58 30.57 2dks s HIS 31 CO 0.03 -0.32 0.00 0.09 -0.00 0.00 0.00 174.74 174.54 2dks n ASN 32 N -1.65 -2.45 -4.35 1.40 3.02 -1.26 -3.10 115.26 106.86 2dks n ASN 32 Ca -0.05 0.27 -0.33 0.00 -0.03 0.00 0.00 54.58 54.43 2dks n ASN 32 Cb 0.65 -2.27 0.12 0.00 -0.61 0.00 0.00 39.78 37.66 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 -2.23 -1.16 -4.69 3.41 4.77 -1.26 -4.13 117.00 111.70 2dks n LEU 33 Ca -0.08 0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 2dks n LEU 33 Cb 0.44 -1.12 0.16 0.00 -2.33 0.00 0.00 43.42 40.57 2dks n LEU 33 CO 0.11 -3.86 0.65 -2.16 -1.33 0.00 0.00 177.39 170.80 2dks s PRO 34 N -3.41 0.80 0.09 3.23 0.04 -1.26 -4.98 135.00 129.50 2dks s PRO 34 Ca 0.54 0.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.11 2dks s PRO 34 Cb -0.19 -1.77 -0.20 0.00 0.04 0.00 0.00 34.50 32.37 2dks s PRO 34 CO 0.69 -2.51 1.23 -0.56 0.04 0.00 0.00 177.00 175.89 2dks h GLN 35 N -1.74 0.73 -2.68 4.56 -0.00 -2.00 -3.40 115.11 110.58 2dks h GLN 35 Ca -0.52 -0.72 -0.60 0.00 -0.00 0.00 0.00 58.65 56.81 2dks h GLN 35 Cb 1.31 0.19 -0.39 0.00 -0.00 0.00 0.00 27.48 28.58 2dks h GLN 35 CO 0.56 1.30 -0.83 0.34 -0.00 0.00 0.00 178.83 180.20 2dks s ASP 36 N -7.23 2.84 -0.78 0.06 -1.08 -1.26 -5.08 116.67 104.14 2dks s ASP 36 Ca -0.10 -2.78 -0.25 0.00 -0.52 0.00 0.00 52.55 48.90 2dks s ASP 36 Cb 0.07 -0.72 -0.04 0.00 -1.46 0.00 0.00 42.92 40.78 2dks s ASP 36 CO 0.92 -0.23 1.91 -2.16 0.52 0.00 0.00 175.17 176.13 2dks s PRO 37 N 0.27 2.58 0.50 4.34 0.04 -1.26 -1.76 135.00 139.70 2dks s PRO 37 Ca 0.24 0.09 0.18 0.00 0.04 0.00 0.00 61.00 61.54 2dks s PRO 37 Cb -0.12 -4.78 1.23 0.00 0.04 0.00 0.00 34.50 30.86 2dks s PRO 37 CO -0.08 -3.11 2.04 -0.09 0.04 0.00 0.00 177.00 175.80 2dks h ARG 38 N 12.83 0.13 0.00 4.56 2.43 0.29 -3.41 114.38 131.21 2dks h ARG 38 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2dks h ARG 38 Cb 1.07 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2dks h ARG 38 CO 1.21 0.09 0.00 0.41 -1.51 0.00 0.00 179.97 180.17 2dks n GLY 39 N -1.57 1.68 3.91 2.80 0.00 -1.02 -2.66 105.19 108.34 2dks n GLY 39 Ca 0.05 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.31 3.48 -0.21 1.61 2.02 0.21 -0.26 117.35 122.89 2dks s TYR 40 Ca 0.00 0.46 -0.04 0.00 -0.37 0.00 0.00 57.07 57.12 2dks s TYR 40 Cb 0.00 -1.93 0.11 0.00 -0.40 0.00 0.00 41.96 39.74 2dks s TYR 40 CO 0.00 0.42 0.31 -0.80 -1.57 0.00 0.00 175.55 173.91 2dks s ASN 41 N -2.72 0.65 0.27 2.29 0.01 0.42 -1.21 114.94 114.64 2dks s ASN 41 Ca 0.40 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.69 2dks s ASN 41 Cb -0.12 0.81 -0.04 0.00 0.41 0.00 0.00 41.25 42.31 2dks s ASN 41 CO 0.27 -0.30 0.45 0.26 -1.51 0.00 0.00 177.10 176.27 2dks s TRP 42 N 2.45 3.48 0.23 2.20 0.52 -0.81 -0.16 118.94 126.86 2dks s TRP 42 Ca 0.09 0.30 -0.08 0.00 0.02 0.00 0.00 56.10 56.43 2dks s TRP 42 Cb -0.15 -1.84 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2dks s TRP 42 CO -0.13 0.28 0.33 0.71 0.02 0.00 0.00 176.95 178.16 2dks s TYR 43 N -2.07 0.68 -0.38 -1.98 1.51 0.19 -2.05 117.35 113.26 2dks s TYR 43 Ca 0.39 -0.99 -0.07 0.00 -1.01 0.00 0.00 57.07 55.39 2dks s TYR 43 Cb -0.10 -0.12 0.07 0.00 -0.11 0.00 0.00 41.96 41.70 2dks s TYR 43 CO 0.32 -0.84 0.17 0.21 -1.11 0.00 0.00 175.55 174.30 2dks s LYS 44 N -4.07 2.51 0.00 -0.62 2.20 0.12 -3.19 119.74 116.69 2dks s LYS 44 Ca 0.29 -1.39 0.00 0.00 -0.36 0.00 0.00 55.97 54.51 2dks s LYS 44 Cb 0.03 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2dks s LYS 44 CO 0.10 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 2dks n GLY 45 N 4.81 0.23 1.93 5.54 0.00 0.28 -4.73 105.19 113.26 2dks n GLY 45 Ca -0.10 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 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 3.32 -3.80 1.61 1.02 -1.26 -2.15 120.64 119.39 2dks n GLU 46 Ca 0.00 -3.98 -0.12 0.00 -0.02 0.00 0.00 57.16 53.03 2dks n GLU 46 Cb 0.00 -2.22 -0.10 0.00 -0.02 0.00 0.00 31.44 29.10 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 -4.49 0.04 -1.02 2.62 -4.23 -1.26 -5.03 115.64 102.26 2dks s THR 47 Ca 0.52 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 2dks s THR 47 Cb 0.42 -0.47 0.32 0.00 1.34 0.00 0.00 72.50 74.10 2dks s THR 47 CO 0.03 -0.19 1.76 0.52 -0.54 0.00 0.00 174.62 176.19 2dks n VAL 48 N 1.96 5.93 -4.28 2.29 0.31 -1.26 -4.63 118.33 118.65 2dks n VAL 48 Ca -0.19 -5.97 -0.35 0.00 -0.01 0.00 0.00 64.34 57.83 2dks n VAL 48 Cb 0.57 -1.61 -0.10 0.00 -0.91 0.00 0.00 33.84 31.79 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 -1.46 5.31 0.30 4.52 -1.08 -1.26 -5.00 116.67 118.00 2dks s ASP 49 Ca 0.38 0.11 0.06 0.00 -0.52 0.00 0.00 52.55 52.58 2dks s ASP 49 Cb 0.17 -1.66 0.75 0.00 -1.46 0.00 0.00 42.92 40.73 2dks s ASP 49 CO -0.10 0.31 1.75 0.00 0.52 0.00 0.00 175.17 177.64 2dks h ALA 50 N 5.71 1.62 -0.93 3.66 0.00 -1.95 0.12 119.26 127.47 2dks h ALA 50 Ca -0.45 0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.69 2dks h ALA 50 Cb 1.19 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2dks h ALA 50 CO 0.59 -0.17 0.55 -0.91 0.00 0.00 0.00 179.25 179.32 2dks h ASN 51 N 0.63 0.77 -0.75 0.00 2.35 -2.00 0.69 115.58 117.28 2dks h ASN 51 Ca 0.58 0.06 -0.23 0.00 -0.55 0.00 0.00 56.30 56.16 2dks h ASN 51 Cb 0.99 -0.09 -0.14 0.00 0.05 0.00 0.00 38.32 39.14 2dks h ASN 51 CO -0.43 0.39 0.28 0.54 -1.65 0.00 0.00 177.43 176.56 2dks n ARG 52 N -4.71 3.65 -2.88 0.81 5.12 0.32 -4.58 116.66 114.39 2dks n ARG 52 Ca 0.18 -3.10 -0.42 0.00 -1.93 0.00 0.00 57.85 52.58 2dks n ARG 52 Cb 0.38 -2.21 -0.04 0.00 -1.16 0.00 0.00 32.46 29.42 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 -3.02 3.86 -0.01 5.56 3.52 0.23 0.15 118.95 129.24 2dks s ARG 53 Ca 0.55 0.52 -0.23 0.00 -0.13 0.00 0.00 55.73 56.45 2dks s ARG 53 Cb 0.44 -3.78 -0.15 0.00 -1.56 0.00 0.00 34.95 29.90 2dks s ARG 53 CO 0.13 -0.85 1.04 0.82 -0.81 0.00 0.00 175.30 175.64 2dks h ILE 54 N 5.74 0.47 -1.72 4.11 2.04 -1.67 -3.22 117.51 123.27 2dks h ILE 54 Ca -0.24 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2dks h ILE 54 Cb 1.09 0.71 -0.22 0.00 -0.74 0.00 0.00 36.82 37.65 2dks h ILE 54 CO 0.94 0.09 0.40 -0.51 0.00 0.00 0.00 178.15 179.07 2dks s ILE 55 N -4.22 0.00 0.01 -0.67 2.07 -1.24 -0.95 121.20 116.20 2dks s ILE 55 Ca -0.13 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.16 2dks s ILE 55 Cb 0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.59 2dks s ILE 55 CO 0.46 0.00 -0.14 -0.83 -1.91 0.00 0.00 174.94 172.51 2dks s GLY 56 N -0.71 0.73 0.01 1.50 0.00 -0.94 -1.92 107.32 105.99 2dks s GLY 56 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.04 2dks s GLY 56 CO 0.02 -0.61 -0.11 -0.47 0.00 0.00 0.00 173.10 171.93 2dks s TYR 57 N -0.50 0.93 -0.22 1.90 5.04 -0.35 -1.44 117.35 122.70 2dks s TYR 57 Ca 0.04 -0.24 -0.00 0.00 -2.44 0.00 0.00 57.07 54.44 2dks s TYR 57 Cb -0.06 -0.58 0.03 0.00 0.35 0.00 0.00 41.96 41.69 2dks s TYR 57 CO 0.00 -0.01 -0.12 0.08 -1.34 0.00 0.00 175.55 174.16 2dks s VAL 58 N -0.47 2.49 -0.20 3.14 1.01 -0.68 -0.62 120.40 125.06 2dks s VAL 58 Ca 0.02 -1.06 0.29 0.00 0.00 0.00 0.00 61.98 61.23 2dks s VAL 58 Cb -0.05 -2.21 0.34 0.00 0.00 0.00 0.00 36.38 34.45 2dks s VAL 58 CO 0.00 0.30 1.84 0.40 0.00 0.00 0.00 175.10 177.64 2dks h ILE 59 N 6.14 0.00 -0.03 2.22 2.04 -1.74 1.92 117.51 128.06 2dks h ILE 59 Ca -0.36 -0.49 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 2dks h ILE 59 Cb 1.11 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2dks h ILE 59 CO 0.58 0.00 -0.64 0.77 0.00 0.00 0.00 178.15 178.86 2dks h SER 60 N 0.00 0.14 0.00 1.72 4.64 -1.86 -3.32 113.55 114.87 2dks h SER 60 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2dks h SER 60 Cb 0.55 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2dks h SER 60 CO 0.00 0.74 -0.07 -3.20 -0.87 0.00 0.00 176.83 173.43 2dks n ASN 61 N -3.81 0.78 -4.37 4.97 5.15 -1.10 -5.01 115.26 111.87 2dks n ASN 61 Ca -0.02 -1.60 -0.34 0.00 -0.60 0.00 0.00 54.58 52.02 2dks n ASN 61 Cb 0.64 -0.06 -0.09 0.00 -0.53 0.00 0.00 39.78 39.73 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 -0.27 -0.95 -4.06 1.20 6.02 0.65 -4.91 117.38 115.07 2dks n GLN 62 Ca 0.01 0.11 -0.33 0.00 -0.01 0.00 0.00 57.00 56.78 2dks n GLN 62 Cb 0.47 -3.89 -0.07 0.00 1.02 0.00 0.00 30.24 27.77 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 -7.34 3.14 -0.11 -1.09 -0.44 -0.96 -4.90 119.66 107.97 2dks s GLN 63 Ca 0.22 -0.45 0.03 0.00 -2.50 0.00 0.00 55.36 52.66 2dks s GLN 63 Cb -0.13 -2.91 0.00 0.00 -1.64 0.00 0.00 33.01 28.34 2dks s GLN 63 CO 1.00 0.65 -0.23 0.42 0.50 0.00 0.00 175.29 177.64 2dks s ILE 64 N -1.22 2.00 -0.33 -2.34 -1.09 -1.26 -1.69 121.20 115.28 2dks s ILE 64 Ca 0.24 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 2dks s ILE 64 Cb -0.12 -1.75 0.10 0.00 -1.58 0.00 0.00 42.46 39.12 2dks s ILE 64 CO 0.15 0.54 0.11 -0.89 -1.23 0.00 0.00 174.94 173.62 2dks s THR 65 N 0.50 1.09 0.09 2.92 2.01 -0.52 -5.02 115.64 116.70 2dks s THR 65 Ca -0.15 -1.64 -0.31 0.00 0.31 0.00 0.00 61.69 59.90 2dks s THR 65 Cb -0.17 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.45 2dks s THR 65 CO 0.06 -0.70 1.38 -2.16 -0.69 0.00 0.00 174.62 172.51 2dks s PRO 66 N 1.39 4.32 0.17 4.92 0.04 -1.26 -2.22 135.00 142.36 2dks s PRO 66 Ca 0.11 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 2dks s PRO 66 Cb -0.18 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.08 2dks s PRO 66 CO -0.20 -0.45 0.23 0.41 0.04 0.00 0.00 177.00 177.03 2dks n GLY 67 N 3.50 0.10 0.17 0.56 0.00 -0.12 -4.97 105.19 104.43 2dks n GLY 67 Ca 0.12 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 0.09 -1.16 1.61 0.13 -1.79 -3.02 132.00 127.86 2dks h PRO 68 Ca -0.07 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.91 2dks h PRO 68 Cb 0.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.32 2dks h PRO 68 CO 0.07 0.56 0.13 0.00 -0.23 0.00 0.00 178.00 178.52 2dks n ALA 69 N -2.46 3.33 -3.14 -0.56 0.00 -1.23 -4.81 120.51 111.64 2dks n ALA 69 Ca -0.02 -0.55 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 2dks n ALA 69 Cb 0.51 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.62 2.96 -0.19 0.00 5.04 -1.14 -4.61 117.35 118.78 2dks s TYR 70 Ca 0.11 -0.56 0.15 0.00 -2.44 0.00 0.00 57.07 54.33 2dks s TYR 70 Cb 0.09 -1.98 0.41 0.00 0.35 0.00 0.00 41.96 40.82 2dks s TYR 70 CO 0.02 -0.23 1.27 0.43 -1.34 0.00 0.00 175.55 175.70 2dks n SER 71 N 3.94 2.50 -3.59 4.32 7.64 -1.26 -4.96 113.62 122.21 2dks n SER 71 Ca -0.18 -3.40 -0.23 0.00 1.01 0.00 0.00 58.87 56.07 2dks n SER 71 Cb 0.52 -0.51 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.13 -5.18 0.00 6.43 3.02 -1.26 -4.86 115.26 112.28 2dks n ASN 72 Ca 0.21 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 2dks n ASN 72 Cb 0.77 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 2dks n ASN 72 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2dks n ARG 73 N -4.78 0.70 -2.80 3.52 1.85 -1.26 -5.03 116.66 108.85 2dks n ARG 73 Ca -0.06 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.42 2dks n ARG 73 Cb 0.58 -0.67 -0.06 0.00 -1.05 0.00 0.00 32.46 31.26 2dks n ARG 73 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2dks s GLU 74 N -1.35 4.53 -0.08 2.89 8.01 -1.26 -2.76 118.70 128.69 2dks s GLU 74 Ca 0.00 1.28 -0.03 0.00 0.01 0.00 0.00 54.97 56.23 2dks s GLU 74 Cb 0.00 -2.75 0.04 0.00 -4.31 0.00 0.00 34.13 27.12 2dks s GLU 74 CO 0.00 0.26 0.12 0.99 0.01 0.00 0.00 175.26 176.63 2dks s THR 75 N -1.66 -0.19 1.03 3.63 2.01 -0.85 -4.94 115.64 114.67 2dks s THR 75 Ca 0.51 0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.70 2dks s THR 75 Cb -0.18 -0.28 0.21 0.00 0.01 0.00 0.00 72.50 72.26 2dks s THR 75 CO 0.23 0.10 1.07 -0.63 -0.69 0.00 0.00 174.62 174.70 2dks s ILE 76 N 2.23 2.20 0.11 1.82 1.09 -1.26 -1.14 121.20 126.25 2dks s ILE 76 Ca 0.04 0.07 0.01 0.00 -1.10 0.00 0.00 60.65 59.67 2dks s ILE 76 Cb -0.13 -2.34 -0.04 0.00 -1.06 0.00 0.00 42.46 38.90 2dks s ILE 76 CO -0.05 -0.09 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.36 2dks s TYR 77 N -2.73 0.89 -2.00 3.97 1.51 0.28 -4.84 117.35 114.43 2dks s TYR 77 Ca 0.66 -1.00 0.11 0.00 -1.01 0.00 0.00 57.07 55.83 2dks s TYR 77 Cb -0.21 -0.53 0.66 0.00 -0.11 0.00 0.00 41.96 41.76 2dks s TYR 77 CO 0.60 -0.24 1.09 -0.35 -1.11 0.00 0.00 175.55 175.54 2dks n PRO 78 N -0.06 0.49 -0.04 -1.71 -0.04 -1.26 -1.89 135.00 130.48 2dks n PRO 78 Ca -0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 2dks n PRO 78 Cb 0.62 -1.35 0.08 0.00 -0.04 0.00 0.00 33.50 32.81 2dks n PRO 78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dks n ASN 79 N -0.85 2.21 -0.68 3.54 4.13 -1.26 -4.96 115.26 117.40 2dks n ASN 79 Ca 0.08 -2.63 -0.07 0.00 1.68 0.00 0.00 54.58 53.64 2dks n ASN 79 Cb 0.04 -0.25 -0.02 0.00 -1.54 0.00 0.00 39.78 38.01 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dks n ALA 80 N -1.04 -0.16 -2.79 5.41 0.00 -0.79 -4.46 120.51 116.68 2dks n ALA 80 Ca 0.09 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 2dks n ALA 80 Cb 0.48 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 6.09 -0.12 0.00 0.01 -1.25 -4.68 113.70 110.95 2dks s SER 81 Ca 0.00 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 2dks s SER 81 Cb 0.00 -1.59 0.04 0.00 0.21 0.00 0.00 66.02 64.68 2dks s SER 81 CO 0.00 -0.18 0.01 -0.22 0.41 0.00 0.00 173.24 173.26 2dks s LEU 82 N -4.02 0.78 -0.55 2.44 2.96 -1.17 -0.56 118.68 118.55 2dks s LEU 82 Ca 0.37 -0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 53.72 2dks s LEU 82 Cb -0.09 -0.49 0.06 0.00 0.50 0.00 0.00 46.19 46.17 2dks s LEU 82 CO 0.29 -0.24 0.80 -0.22 -1.32 0.00 0.00 176.35 175.66 2dks s LEU 83 N 1.94 4.60 0.05 -0.68 2.96 -0.29 -2.18 118.68 125.07 2dks s LEU 83 Ca 0.03 -0.77 -0.28 0.00 -0.22 0.00 0.00 54.13 52.89 2dks s LEU 83 Cb -0.14 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 2dks s LEU 83 CO -0.06 -1.12 0.90 -0.32 -1.32 0.00 0.00 176.35 174.43 2dks s MET 84 N 3.33 4.59 0.05 1.98 -2.45 0.85 -2.00 119.30 125.66 2dks s MET 84 Ca 0.21 1.31 0.09 0.00 -1.25 0.00 0.00 55.69 56.05 2dks s MET 84 Cb -0.17 -3.41 -0.03 0.00 1.25 0.00 0.00 34.83 32.47 2dks s MET 84 CO 0.14 0.13 -0.24 1.03 1.05 0.00 0.00 175.02 177.13 2dks s ARG 85 N 0.38 1.85 -1.20 4.11 0.52 -1.11 -0.62 118.95 122.87 2dks s ARG 85 Ca 0.46 -1.09 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2dks s ARG 85 Cb -0.21 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.23 2dks s ARG 85 CO 0.27 0.52 1.00 0.09 0.02 0.00 0.00 175.30 177.19 2dks n ASN 86 N 1.65 -2.38 -4.20 0.23 4.13 -1.14 -4.75 115.26 108.80 2dks n ASN 86 Ca -0.17 -0.61 -0.29 0.00 1.68 0.00 0.00 54.58 55.20 2dks n ASN 86 Cb 0.52 -5.06 0.27 0.00 -1.54 0.00 0.00 39.78 33.97 2dks n ASN 86 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2dks s VAL 87 N -3.35 1.79 0.34 2.41 -7.23 -0.71 -4.62 120.40 109.03 2dks s VAL 87 Ca 0.05 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.10 2dks s VAL 87 Cb -0.02 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.88 2dks s VAL 87 CO 0.72 0.00 0.63 0.42 -0.31 0.00 0.00 175.10 176.56 2dks s THR 88 N -2.40 0.00 0.15 5.32 -4.23 -1.26 -1.98 115.64 111.24 2dks s THR 88 Ca 0.69 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 2dks s THR 88 Cb -0.22 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2dks s THR 88 CO 0.63 0.00 1.56 0.03 -0.54 0.00 0.00 174.62 176.30 2dks h ARG 89 N 2.08 0.92 -0.61 3.99 3.08 -1.98 -2.99 114.38 118.87 2dks h ARG 89 Ca -0.29 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.37 2dks h ARG 89 Cb 1.25 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 2dks h ARG 89 CO 0.37 1.02 0.23 -0.97 -1.07 0.00 0.00 179.97 179.55 2dks h ASN 90 N 0.77 0.81 -0.90 7.04 -0.73 -1.97 -2.67 115.58 117.94 2dks h ASN 90 Ca 0.12 -0.11 0.22 0.00 1.87 0.00 0.00 56.30 58.39 2dks h ASN 90 Cb 0.68 -0.21 -0.12 0.00 0.27 0.00 0.00 38.32 38.94 2dks h ASN 90 CO 0.05 0.74 0.42 0.44 -0.37 0.00 0.00 177.43 178.71 2dks h ASP 91 N 0.87 0.38 -1.35 1.15 3.32 -1.93 -3.41 116.42 115.46 2dks h ASP 91 Ca 0.20 0.15 -0.78 0.00 0.02 0.00 0.00 57.03 56.62 2dks h ASP 91 Cb 0.19 0.11 0.02 0.00 0.22 0.00 0.00 39.33 39.87 2dks h ASP 91 CO -0.02 0.03 0.78 0.41 -1.72 0.00 0.00 179.24 178.73 2dks n THR 92 N -5.01 0.18 0.00 0.35 -1.04 -1.01 -4.52 114.28 103.23 2dks n THR 92 Ca 0.22 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2dks n THR 92 Cb 0.64 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 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 3.96 -1.56 3.45 3.41 0.00 -1.26 -5.06 105.19 108.13 2dks n GLY 93 Ca 0.27 0.76 -0.15 0.00 0.00 0.00 0.00 46.02 46.90 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 -0.20 1.61 0.01 -1.26 -4.84 113.70 104.48 2dks s SER 94 Ca 0.00 0.79 -0.05 0.00 1.31 0.00 0.00 55.95 58.00 2dks s SER 94 Cb 0.00 0.78 0.07 0.00 0.21 0.00 0.00 66.02 67.08 2dks s SER 94 CO 0.00 -0.39 0.10 -0.31 0.41 0.00 0.00 173.24 173.04 2dks s TYR 95 N -0.55 0.25 -0.04 2.43 1.51 -1.17 0.10 117.35 119.88 2dks s TYR 95 Ca -0.07 -0.47 -0.21 0.00 -1.01 0.00 0.00 57.07 55.32 2dks s TYR 95 Cb -0.03 -0.75 -0.05 0.00 -0.11 0.00 0.00 41.96 41.02 2dks s TYR 95 CO 0.05 -0.59 0.59 0.99 -1.11 0.00 0.00 175.55 175.48 2dks s THR 96 N 2.12 5.00 -0.28 -0.71 2.01 -0.91 -0.84 115.64 122.04 2dks s THR 96 Ca 0.04 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.29 2dks s THR 96 Cb -0.16 -3.93 0.07 0.00 0.01 0.00 0.00 72.50 68.49 2dks s THR 96 CO -0.16 0.36 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.86 2dks s LEU 97 N 0.21 3.61 -0.20 4.42 1.98 -0.94 -0.63 118.68 127.12 2dks s LEU 97 Ca 0.31 -1.56 -0.08 0.00 -2.89 0.00 0.00 54.13 49.92 2dks s LEU 97 Cb -0.17 -1.50 -0.04 0.00 0.66 0.00 0.00 46.19 45.14 2dks s LEU 97 CO 0.16 -0.25 0.08 -1.58 -1.89 0.00 0.00 176.35 172.87 2dks s GLN 98 N 1.11 3.94 -0.08 1.98 0.74 0.78 -3.16 119.66 124.97 2dks s GLN 98 Ca -0.03 -0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.06 2dks s GLN 98 Cb -0.20 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 2dks s GLN 98 CO -0.06 0.16 -0.20 0.54 -0.55 0.00 0.00 175.29 175.17 2dks s VAL 99 N 0.71 2.45 0.12 1.34 0.11 -1.14 -0.44 120.40 123.55 2dks s VAL 99 Ca 0.04 -0.91 -0.14 0.00 -2.93 0.00 0.00 61.98 58.05 2dks s VAL 99 Cb -0.13 -1.95 -0.07 0.00 -1.53 0.00 0.00 36.38 32.71 2dks s VAL 99 CO 0.02 0.56 0.51 -0.63 -3.33 0.00 0.00 175.10 172.23 2dks s ILE 100 N -0.02 4.91 0.09 7.04 1.09 0.64 -1.29 121.20 133.66 2dks s ILE 100 Ca -0.06 0.76 0.06 0.00 -1.10 0.00 0.00 60.65 60.31 2dks s ILE 100 Cb -0.15 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.49 2dks s ILE 100 CO 0.05 0.27 -0.05 -0.54 -0.10 0.00 0.00 174.94 174.57 2dks s LYS 101 N -1.89 2.35 0.57 2.79 1.02 0.86 0.24 119.74 125.68 2dks s LYS 101 Ca 0.36 -0.92 0.23 0.00 0.02 0.00 0.00 55.97 55.67 2dks s LYS 101 Cb -0.15 -2.43 1.27 0.00 -0.52 0.00 0.00 37.83 36.00 2dks s LYS 101 CO 0.19 0.53 1.68 -0.07 -0.92 0.00 0.00 175.35 176.76 2dks h LEU 102 N 3.58 0.00 -2.72 3.17 -0.00 -1.67 0.06 115.31 117.74 2dks h LEU 102 Ca -0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.24 2dks h LEU 102 Cb 1.17 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.74 2dks h LEU 102 CO 0.56 0.00 0.20 -0.46 -0.00 0.00 0.00 178.44 178.74 2dks n ASN 103 N -2.62 3.82 -3.98 -0.43 6.94 -1.26 -4.83 115.26 112.91 2dks n ASN 103 Ca -0.02 -2.53 -0.27 0.00 -0.02 0.00 0.00 54.58 51.75 2dks n ASN 103 Cb 0.40 -0.70 -0.02 0.00 -2.36 0.00 0.00 39.78 37.09 2dks n ASN 103 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2dks n LEU 104 N 0.21 -2.08 -4.29 -4.53 4.77 -0.01 -4.96 117.00 106.11 2dks n LEU 104 Ca 0.17 -1.05 -0.17 0.00 -0.03 0.00 0.00 56.01 54.94 2dks n LEU 104 Cb 0.77 -2.15 -0.09 0.00 -2.33 0.00 0.00 43.42 39.61 2dks n LEU 104 CO 0.18 0.45 -0.20 -0.04 -1.33 0.00 0.00 177.39 176.46 2dks s MET 105 N -6.63 1.51 -0.20 3.23 -1.94 -1.12 -4.97 119.30 109.19 2dks s MET 105 Ca 0.04 -1.85 -0.13 0.00 -1.71 0.00 0.00 55.69 52.05 2dks s MET 105 Cb -0.02 0.07 0.06 0.00 2.01 0.00 0.00 34.83 36.95 2dks s MET 105 CO 0.90 -0.46 0.49 -1.12 -0.01 0.00 0.00 175.02 174.82 2dks s SER 106 N -3.31 -0.60 0.34 3.03 0.01 -1.26 -0.10 113.70 111.81 2dks s SER 106 Ca 0.38 1.05 0.07 0.00 1.31 0.00 0.00 55.95 58.75 2dks s SER 106 Cb 0.05 0.96 -0.01 0.00 0.21 0.00 0.00 66.02 67.23 2dks s SER 106 CO 0.18 -0.20 0.41 -1.61 0.41 0.00 0.00 173.24 172.43 2dks s GLU 107 N 1.13 2.93 -0.01 12.44 2.02 -0.41 -4.93 118.70 131.86 2dks s GLU 107 Ca -0.07 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 53.80 2dks s GLU 107 Cb -0.06 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 2dks s GLU 107 CO -0.10 0.04 -0.11 -1.21 0.02 0.00 0.00 175.26 173.89 2dks s GLU 108 N -4.12 0.98 -0.26 1.61 8.01 -1.26 -2.90 118.70 120.75 2dks s GLU 108 Ca 0.44 -0.39 -0.02 0.00 0.01 0.00 0.00 54.97 55.01 2dks s GLU 108 Cb -0.08 -0.93 0.15 0.00 -4.31 0.00 0.00 34.13 28.96 2dks s GLU 108 CO 0.29 0.22 0.45 0.54 0.01 0.00 0.00 175.26 176.77 2dks s VAL 109 N -0.15 -0.74 -0.62 2.63 0.11 -1.19 -4.78 120.40 115.67 2dks s VAL 109 Ca 0.02 -0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.75 2dks s VAL 109 Cb -0.06 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2dks s VAL 109 CO -0.00 -0.08 1.33 -0.89 -3.33 0.00 0.00 175.10 172.13 2dks s THR 110 N 2.65 3.82 -0.20 5.04 2.01 -1.26 -2.22 115.64 125.48 2dks s THR 110 Ca 0.15 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.80 2dks s THR 110 Cb -0.15 -4.64 0.05 0.00 0.01 0.00 0.00 72.50 67.76 2dks s THR 110 CO -0.17 -1.40 -0.08 -0.83 -0.69 0.00 0.00 174.62 171.45 2dks s GLY 111 N 3.95 1.17 0.36 4.40 0.00 -0.02 -4.77 107.32 112.42 2dks s GLY 111 Ca 0.45 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 44.11 2dks s GLY 111 CO 0.22 0.82 0.22 0.61 0.00 0.00 0.00 173.10 174.97 2dks n GLN 112 N 4.74 0.48 -3.87 2.90 0.00 -1.26 -3.89 117.38 116.48 2dks n GLN 112 Ca -0.13 -3.31 -0.17 0.00 0.00 0.00 0.00 57.00 53.39 2dks n GLN 112 Cb 0.46 2.30 -0.06 0.00 0.00 0.00 0.00 30.24 32.94 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 -0.74 -0.61 -4.80 2.61 -1.74 -1.26 -4.46 117.46 106.46 2dks n PHE 113 Ca 0.02 -2.33 -0.25 0.00 -0.56 0.00 0.00 57.45 54.33 2dks n PHE 113 Cb 0.59 0.23 -0.16 0.00 1.52 0.00 0.00 39.48 41.66 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 -2.95 2.03 -0.07 5.98 0.01 -1.21 -4.21 113.70 113.28 2dks s SER 114 Ca 0.32 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.28 2dks s SER 114 Cb 0.02 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 2dks s SER 114 CO 0.23 0.18 -0.12 -0.69 0.41 0.00 0.00 173.24 173.25 2dks s VAL 115 N -0.18 3.26 -0.02 3.43 1.01 -1.26 -2.71 120.40 123.93 2dks s VAL 115 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2dks s VAL 115 Cb -0.09 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2dks s VAL 115 CO 0.01 0.58 0.04 -1.38 0.00 0.00 0.00 175.10 174.35 2dks s HIS 116 N -0.62 -0.02 -0.07 5.22 -3.43 -0.85 -4.76 115.29 110.76 2dks s HIS 116 Ca 0.09 0.15 -0.30 0.00 -0.80 0.00 0.00 55.06 54.20 2dks s HIS 116 Cb -0.11 -0.11 -0.05 0.00 -1.43 0.00 0.00 32.58 30.88 2dks s HIS 116 CO 0.01 -0.07 1.50 -1.25 -2.00 0.00 0.00 174.74 172.94 2dks s PRO 117 N 0.63 4.21 -0.83 -0.38 0.04 -1.26 -3.74 135.00 133.67 2dks s PRO 117 Ca -0.05 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 62.68 2dks s PRO 117 Cb -0.07 -3.84 -0.19 0.00 0.04 0.00 0.00 34.50 30.43 2dks s PRO 117 CO -0.02 -0.76 2.56 0.39 0.04 0.00 0.00 177.00 179.21 2dks n GLU 118 N 6.63 0.18 -4.41 4.56 1.02 -1.26 -4.88 120.64 122.48 2dks n GLU 118 Ca 0.16 0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.11 2dks n GLU 118 Cb 0.43 -1.79 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 2dks n GLU 118 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dks s THR 119 N 8.88 0.99 0.63 2.62 -4.23 -1.26 -5.14 115.64 118.13 2dks s THR 119 Ca 1.28 -0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 60.85 2dks s THR 119 Cb -1.14 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2dks s THR 119 CO 0.49 0.10 1.11 -2.16 -0.54 0.00 0.00 174.62 173.62 2dks s PRO 120 N -0.78 2.94 0.13 3.99 0.04 -1.26 -4.99 135.00 135.08 2dks s PRO 120 Ca 0.02 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2dks s PRO 120 Cb -0.06 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2dks s PRO 120 CO 0.00 -1.14 1.19 0.21 0.04 0.00 0.00 177.00 177.30 2dks s LYS 121 N -3.89 4.48 0.00 4.56 2.20 -1.26 -4.90 119.74 120.92 2dks s LYS 121 Ca 0.68 1.82 0.12 0.00 -0.36 0.00 0.00 55.97 58.23 2dks s LYS 121 Cb -0.21 -3.29 0.71 0.00 -1.51 0.00 0.00 37.83 33.52 2dks s LYS 121 CO 0.38 -0.15 1.14 -0.35 -0.36 0.00 0.00 175.35 176.01 2dks n PRO 122 N 3.12 0.49 -1.46 4.03 -0.04 -1.26 -4.81 135.00 135.07 2dks n PRO 122 Ca 0.06 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 63.01 2dks n PRO 122 Cb 0.45 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 2dks n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks n SER 123 N -0.88 2.19 -4.49 3.54 2.88 -1.26 -4.93 113.62 110.66 2dks n SER 123 Ca 0.09 0.44 -0.28 0.00 -1.33 0.00 0.00 58.87 57.79 2dks n SER 123 Cb 0.04 -1.27 -0.11 0.00 -0.75 0.00 0.00 64.21 62.13 2dks n SER 123 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2dks s ILE 124 N 7.13 2.80 0.00 2.46 -4.36 -1.26 -5.04 121.20 122.93 2dks s ILE 124 Ca 1.09 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.82 2dks s ILE 124 Cb -0.85 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 40.54 2dks s ILE 124 CO 0.49 0.01 0.00 -1.20 0.24 0.00 0.00 174.94 174.48 2dks n SER 125 N 0.53 1.54 -4.44 4.36 7.64 -1.26 -5.10 113.62 116.88 2dks n SER 125 Ca -0.14 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.53 2dks n SER 125 Cb 0.54 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.63 2dks n SER 125 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dks s GLY 126 N -4.56 1.99 0.00 0.23 0.00 -1.26 -5.01 107.32 98.71 2dks s GLY 126 Ca 0.00 -2.01 0.14 0.00 0.00 0.00 0.00 44.72 42.84 2dks s GLY 126 CO 0.00 -1.82 1.23 -1.55 0.00 0.00 0.00 173.10 170.96 2dks n PRO 127 N -0.65 0.49 -0.11 2.90 -0.04 -1.26 -3.18 135.00 133.14 2dks n PRO 127 Ca -0.03 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.24 2dks n PRO 127 Cb 0.66 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2dks n PRO 127 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dks n SER 128 N -0.93 1.91 -4.20 3.54 3.41 -1.26 -4.96 113.62 111.12 2dks n SER 128 Ca 0.10 0.39 -0.37 0.00 -0.26 0.00 0.00 58.87 58.74 2dks n SER 128 Cb 0.05 -0.83 -0.07 0.00 -0.26 0.00 0.00 64.21 63.09 2dks n SER 128 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dks n SER 129 N -4.39 -1.23 0.00 4.04 3.41 -1.19 -5.16 113.62 109.10 2dks n SER 129 Ca -0.33 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 2dks n SER 129 Cb 0.66 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 2dks n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49