#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 6.45 0.08 1.61 0.01 -1.26 -4.96 113.70 115.63 2dks s SER 2 Ca 0.00 0.01 -0.31 0.00 1.31 0.00 0.00 55.95 56.96 2dks s SER 2 Cb 0.00 -2.39 -0.15 0.00 0.21 0.00 0.00 66.02 63.69 2dks s SER 2 CO 0.00 -0.88 1.49 -1.28 0.41 0.00 0.00 173.24 172.97 2dks h SER 3 N 8.88 -1.27 -4.72 2.44 0.87 -2.10 -3.49 113.55 114.16 2dks h SER 3 Ca -0.25 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2dks h SER 3 Cb 1.09 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2dks h SER 3 CO 0.95 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.30 2dks n GLY 4 N -1.48 0.53 2.99 5.77 0.00 -1.26 -5.05 105.19 106.69 2dks n GLY 4 Ca -0.10 -2.20 -0.27 0.00 0.00 0.00 0.00 46.02 43.45 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 -3.19 2.24 0.16 1.61 0.15 -1.26 -5.04 113.70 108.38 2dks s SER 5 Ca 0.00 -0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.03 2dks s SER 5 Cb 0.00 -0.96 0.02 0.00 -1.71 0.00 0.00 66.02 63.37 2dks s SER 5 CO 0.00 -0.04 1.57 -1.28 1.20 0.00 0.00 173.24 174.69 2dks h SER 6 N 7.71 -1.45 -3.61 5.45 0.87 -2.05 -3.42 113.55 117.04 2dks h SER 6 Ca -0.32 0.23 -0.46 0.00 -1.23 0.00 0.00 61.79 60.01 2dks h SER 6 Cb 1.15 0.65 0.20 0.00 -0.44 0.00 0.00 62.40 63.96 2dks h SER 6 CO 0.46 -0.35 0.10 -0.83 -0.53 0.00 0.00 176.83 175.68 2dks s GLY 7 N -2.79 1.58 0.20 5.77 0.00 -1.26 -4.87 107.32 105.95 2dks s GLY 7 Ca -0.14 0.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.28 2dks s GLY 7 CO 0.66 0.63 0.93 -0.37 0.00 0.00 0.00 173.10 174.96 2dks n THR 8 N -4.61 1.43 -1.17 0.90 5.66 -1.26 -4.89 114.28 110.33 2dks n THR 8 Ca 0.05 -0.36 -0.33 0.00 -3.05 0.00 0.00 64.05 60.37 2dks n THR 8 Cb 0.54 -0.58 0.12 0.00 -1.55 0.00 0.00 70.33 68.86 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 -0.64 1.92 -0.28 1.79 0.00 -1.26 -5.04 121.76 118.25 2dks s ALA 9 Ca 0.68 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 2dks s ALA 9 Cb -0.87 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 18.89 2dks s ALA 9 CO 0.56 -2.16 0.71 1.14 0.00 0.00 0.00 175.76 176.00 2dks s GLN 10 N -4.25 0.71 -0.41 0.00 -2.07 -1.26 -5.09 119.66 107.29 2dks s GLN 10 Ca 0.71 1.18 -0.43 0.00 -1.82 0.00 0.00 55.36 54.99 2dks s GLN 10 Cb -0.26 0.17 -0.17 0.00 -1.09 0.00 0.00 33.01 31.66 2dks s GLN 10 CO 0.51 -0.14 1.82 -0.11 -1.32 0.00 0.00 175.29 176.04 2dks n LEU 11 N 4.08 1.63 -4.35 2.60 7.94 -1.24 -4.57 117.00 123.10 2dks n LEU 11 Ca -0.19 0.97 -0.19 0.00 -1.11 0.00 0.00 56.01 55.48 2dks n LEU 11 Cb 0.58 -1.01 -0.09 0.00 0.53 0.00 0.00 43.42 43.43 2dks n LEU 11 CO -0.01 -0.67 -0.20 0.28 -1.11 0.00 0.00 177.39 175.68 2dks s THR 12 N 4.24 0.36 -0.09 1.96 -1.32 -1.20 -4.71 115.64 114.88 2dks s THR 12 Ca 1.06 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 59.48 2dks s THR 12 Cb -1.28 -2.51 0.03 0.00 -1.51 0.00 0.00 72.50 67.23 2dks s THR 12 CO 0.70 0.00 0.22 -0.63 -2.21 0.00 0.00 174.62 172.70 2dks s ILE 13 N -3.57 -0.02 -0.27 5.08 1.01 -1.26 -2.12 121.20 120.05 2dks s ILE 13 Ca 0.35 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2dks s ILE 13 Cb 0.05 -0.33 0.07 0.00 0.01 0.00 0.00 42.46 42.26 2dks s ILE 13 CO 0.17 0.03 -0.02 -0.70 0.00 0.00 0.00 174.94 174.43 2dks s GLU 14 N 0.70 1.52 0.19 2.79 2.12 -1.03 -4.83 118.70 120.16 2dks s GLU 14 Ca -0.05 -1.22 -0.33 0.00 0.36 0.00 0.00 54.97 53.73 2dks s GLU 14 Cb -0.06 -2.66 -0.14 0.00 0.26 0.00 0.00 34.13 31.53 2dks s GLU 14 CO -0.04 -0.72 1.45 0.00 -0.54 0.00 0.00 175.26 175.41 2dks n ALA 15 N 4.58 0.91 -3.68 6.30 0.00 -1.26 -3.25 120.51 124.11 2dks n ALA 15 Ca -0.07 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.52 2dks n ALA 15 Cb 0.43 -2.27 -0.16 0.00 0.00 0.00 0.00 19.45 17.45 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 0.36 0.42 1.11 0.00 1.01 0.63 -2.06 120.40 121.87 2dks s VAL 16 Ca 0.74 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 2dks s VAL 16 Cb -0.70 -1.14 0.24 0.00 0.00 0.00 0.00 36.38 34.78 2dks s VAL 16 CO 0.45 -0.45 1.10 -2.16 0.00 0.00 0.00 175.10 174.04 2dks s PRO 17 N 1.88 -0.50 0.35 2.72 0.04 -1.26 -0.05 135.00 138.18 2dks s PRO 17 Ca 0.04 0.19 0.19 0.00 0.04 0.00 0.00 61.00 61.46 2dks s PRO 17 Cb -0.17 -1.66 0.30 0.00 0.04 0.00 0.00 34.50 33.02 2dks s PRO 17 CO -0.19 -3.28 1.56 1.03 0.04 0.00 0.00 177.00 176.16 2dks h SER 18 N -2.28 0.00 -1.92 6.66 0.87 -1.79 -3.43 113.55 111.66 2dks h SER 18 Ca -0.50 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 59.86 2dks h SER 18 Cb 1.31 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.97 2dks h SER 18 CO 0.45 0.33 -0.54 0.20 -0.53 0.00 0.00 176.83 176.75 2dks s ASN 19 N -6.34 0.62 0.57 6.23 0.01 -1.26 -3.48 114.94 111.29 2dks s ASN 19 Ca 0.04 -0.17 0.08 0.00 -0.71 0.00 0.00 52.86 52.09 2dks s ASN 19 Cb 0.07 0.95 0.07 0.00 0.41 0.00 0.00 41.25 42.76 2dks s ASN 19 CO 0.71 -0.33 0.63 0.00 -1.51 0.00 0.00 177.10 176.59 2dks s ALA 20 N 2.50 4.62 0.14 0.60 0.00 -1.12 -4.94 121.76 123.56 2dks s ALA 20 Ca 0.11 -1.74 0.09 0.00 0.00 0.00 0.00 51.96 50.42 2dks s ALA 20 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2dks s ALA 20 CO -0.23 -0.72 -0.16 0.00 0.00 0.00 0.00 175.76 174.66 2dks s ALA 21 N -2.74 2.76 0.03 0.00 0.00 -1.26 -1.63 121.76 118.92 2dks s ALA 21 Ca 0.49 -1.40 -0.37 0.00 0.00 0.00 0.00 51.96 50.69 2dks s ALA 21 Cb -0.04 -0.67 -0.19 0.00 0.00 0.00 0.00 23.12 22.22 2dks s ALA 21 CO 0.31 0.55 0.95 0.39 0.00 0.00 0.00 175.76 177.96 2dks n GLU 22 N 0.55 0.00 0.00 0.00 1.02 -1.24 0.30 120.64 121.26 2dks n GLU 22 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2dks n GLU 22 Cb 0.54 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 1.52 2.66 3.94 0.62 0.00 -0.25 -4.92 105.19 108.77 2dks n GLY 23 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.63 1.36 0.04 1.61 -0.14 0.15 -3.84 119.74 118.29 2dks s LYS 24 Ca 0.00 -0.41 0.06 0.00 -1.36 0.00 0.00 55.97 54.26 2dks s LYS 24 Cb 0.00 -2.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.11 2dks s LYS 24 CO 0.00 -1.87 -0.14 -1.21 -0.76 0.00 0.00 175.35 171.36 2dks s GLU 25 N -5.58 2.19 -0.11 1.68 8.01 -1.26 -0.88 118.70 122.76 2dks s GLU 25 Ca 0.68 -0.92 0.00 0.00 0.01 0.00 0.00 54.97 54.74 2dks s GLU 25 Cb -0.07 -2.28 0.02 0.00 -4.31 0.00 0.00 34.13 27.50 2dks s GLU 25 CO 0.49 0.55 -0.10 0.08 0.01 0.00 0.00 175.26 176.30 2dks s VAL 26 N -0.98 1.13 -0.34 2.63 1.01 0.12 -4.47 120.40 119.50 2dks s VAL 26 Ca 0.16 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 2dks s VAL 26 Cb -0.11 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 2dks s VAL 26 CO 0.07 0.38 0.26 -0.22 0.00 0.00 0.00 175.10 175.59 2dks s LEU 27 N 1.43 4.49 -0.79 3.92 2.96 0.93 -0.21 118.68 131.40 2dks s LEU 27 Ca 0.00 -0.37 -0.20 0.00 -0.22 0.00 0.00 54.13 53.34 2dks s LEU 27 Cb -0.13 -2.17 0.11 0.00 0.50 0.00 0.00 46.19 44.49 2dks s LEU 27 CO -0.06 -0.24 1.01 -0.76 -1.32 0.00 0.00 176.35 174.98 2dks s LEU 28 N 1.77 4.93 0.66 -0.68 1.43 -0.63 -0.27 118.68 125.89 2dks s LEU 28 Ca 0.07 -1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 51.39 2dks s LEU 28 Cb -0.17 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 2dks s LEU 28 CO 0.11 -1.18 1.08 -0.76 0.23 0.00 0.00 176.35 175.83 2dks s LEU 29 N 3.06 3.34 -0.11 1.79 1.43 -1.20 -2.92 118.68 124.07 2dks s LEU 29 Ca 0.26 1.85 -0.00 0.00 -1.03 0.00 0.00 54.13 55.20 2dks s LEU 29 Cb -0.11 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.60 2dks s LEU 29 CO -0.01 -1.48 -0.09 -0.69 0.23 0.00 0.00 176.35 174.31 2dks s VAL 30 N -2.57 1.09 0.43 -1.59 1.01 -1.26 -2.47 120.40 115.03 2dks s VAL 30 Ca 0.63 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.32 2dks s VAL 30 Cb -0.17 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.17 2dks s VAL 30 CO 0.44 0.38 0.40 1.41 0.00 0.00 0.00 175.10 177.72 2dks n HIS 31 N 4.80 -1.25 -2.89 5.22 -0.00 -0.90 -4.58 115.22 115.62 2dks n HIS 31 Ca -0.14 -1.75 -0.09 0.00 -0.00 0.00 0.00 57.72 55.74 2dks n HIS 31 Cb 0.50 -0.37 -0.01 0.00 -0.00 0.00 0.00 29.99 30.11 2dks n HIS 31 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2dks n ASN 32 N -2.04 -1.49 -4.49 0.41 3.02 -1.26 -3.26 115.26 106.15 2dks n ASN 32 Ca 0.02 0.13 -0.32 0.00 -0.03 0.00 0.00 54.58 54.39 2dks n ASN 32 Cb 0.48 -1.37 0.15 0.00 -0.61 0.00 0.00 39.78 38.42 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 -2.85 0.74 0.00 3.41 4.77 -1.26 -3.68 117.00 118.13 2dks n LEU 33 Ca 0.01 0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 2dks n LEU 33 Cb 0.50 -1.28 0.03 0.00 -2.33 0.00 0.00 43.42 40.34 2dks n LEU 33 CO 0.20 -3.11 0.08 -0.81 -1.33 0.00 0.00 177.39 172.43 2dks n PRO 34 N -2.70 -1.31 -0.08 3.23 -0.04 -1.26 -4.99 135.00 127.86 2dks n PRO 34 Ca 0.08 -0.24 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 2dks n PRO 34 Cb 0.54 -0.22 -0.07 0.00 -0.04 0.00 0.00 33.50 33.71 2dks n PRO 34 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2dks h GLN 35 N 0.00 0.00 -2.85 0.54 3.07 -1.99 -3.44 115.11 110.45 2dks h GLN 35 Ca -0.06 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 58.08 2dks h GLN 35 Cb 0.17 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 27.33 2dks h GLN 35 CO 0.04 0.51 -0.76 0.16 0.09 0.00 0.00 178.83 178.86 2dks s ASP 36 N -6.12 3.36 -1.19 0.06 1.47 -1.26 -5.05 116.67 107.94 2dks s ASP 36 Ca -0.16 -2.90 -0.23 0.00 1.18 0.00 0.00 52.55 50.44 2dks s ASP 36 Cb 0.01 -0.98 -0.09 0.00 -0.34 0.00 0.00 42.92 41.53 2dks s ASP 36 CO 0.38 -0.22 1.93 -2.16 0.68 0.00 0.00 175.17 175.79 2dks s PRO 37 N 0.02 2.49 0.34 2.11 0.04 -1.26 -1.81 135.00 136.93 2dks s PRO 37 Ca 0.22 -1.19 0.27 0.00 0.04 0.00 0.00 61.00 60.34 2dks s PRO 37 Cb -0.15 -5.25 1.11 0.00 0.04 0.00 0.00 34.50 30.26 2dks s PRO 37 CO -0.07 -4.00 1.12 -2.13 0.04 0.00 0.00 177.00 171.96 2dks n ARG 38 N 8.27 -0.02 -3.64 4.56 0.63 0.63 -4.56 116.66 122.54 2dks n ARG 38 Ca 0.45 0.87 -0.02 0.00 -0.92 0.00 0.00 57.85 58.22 2dks n ARG 38 Cb 0.47 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 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 -3.82 -0.08 0.14 5.14 0.00 -1.16 -2.48 107.32 105.05 2dks s GLY 39 Ca -0.05 2.31 0.04 0.00 0.00 0.00 0.00 44.72 47.03 2dks s GLY 39 CO 0.60 0.84 0.11 -0.19 0.00 0.00 0.00 173.10 174.46 2dks s TYR 40 N -1.60 3.15 -0.28 1.90 2.02 0.32 -1.19 117.35 121.67 2dks s TYR 40 Ca 0.10 0.01 -0.04 0.00 -0.37 0.00 0.00 57.07 56.77 2dks s TYR 40 Cb -0.01 -1.54 0.16 0.00 -0.40 0.00 0.00 41.96 40.16 2dks s TYR 40 CO -0.05 0.52 0.57 0.54 -1.57 0.00 0.00 175.55 175.56 2dks s ASN 41 N -2.84 -1.00 0.43 2.29 4.22 -0.58 -0.06 114.94 117.40 2dks s ASN 41 Ca 0.30 1.00 -0.00 0.00 -2.14 0.00 0.00 52.86 52.02 2dks s ASN 41 Cb -0.11 1.99 -0.01 0.00 1.28 0.00 0.00 41.25 44.40 2dks s ASN 41 CO 0.23 -0.25 0.65 0.26 -2.04 0.00 0.00 177.10 175.95 2dks s TRP 42 N 2.81 3.30 0.24 1.54 0.52 -0.61 -0.77 118.94 125.97 2dks s TRP 42 Ca 0.10 0.29 -0.12 0.00 0.02 0.00 0.00 56.10 56.39 2dks s TRP 42 Cb -0.14 -2.23 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 2dks s TRP 42 CO -0.19 -0.26 0.46 0.71 0.02 0.00 0.00 176.95 177.69 2dks s TYR 43 N -2.52 0.38 -0.15 -1.98 1.51 0.16 -3.01 117.35 111.75 2dks s TYR 43 Ca 0.47 -0.74 -0.05 0.00 -1.01 0.00 0.00 57.07 55.73 2dks s TYR 43 Cb -0.10 0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.87 2dks s TYR 43 CO 0.38 -0.97 0.04 0.21 -1.11 0.00 0.00 175.55 174.10 2dks s LYS 44 N -4.02 3.61 0.00 -0.62 2.20 -1.14 -2.19 119.74 117.58 2dks s LYS 44 Ca 0.23 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2dks s LYS 44 Cb -0.00 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 2dks s LYS 44 CO 0.09 0.44 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 2dks n GLY 45 N 2.99 0.20 0.43 5.54 0.00 0.03 -4.69 105.19 109.69 2dks n GLY 45 Ca -0.18 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.80 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 1.50 -3.75 1.61 1.02 -1.26 -2.38 120.64 117.38 2dks n GLU 46 Ca 0.00 -3.05 -0.03 0.00 -0.02 0.00 0.00 57.16 54.07 2dks n GLU 46 Cb 0.00 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 29.82 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 -3.11 0.00 -0.44 2.62 -1.32 -1.26 -4.98 115.64 107.15 2dks s THR 47 Ca 0.36 -0.59 -0.27 0.00 -1.21 0.00 0.00 61.69 59.98 2dks s THR 47 Cb 0.34 -2.08 -0.03 0.00 -1.51 0.00 0.00 72.50 69.22 2dks s THR 47 CO -0.03 0.00 1.95 -0.69 -2.21 0.00 0.00 174.62 173.63 2dks s VAL 48 N -3.05 3.33 -0.34 5.08 1.01 -1.26 -4.73 120.40 120.44 2dks s VAL 48 Ca 0.13 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.43 2dks s VAL 48 Cb -0.00 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.88 2dks s VAL 48 CO 0.02 -0.48 0.05 -1.81 0.00 0.00 0.00 175.10 172.88 2dks s ASP 49 N 7.84 4.74 0.27 3.32 1.01 -1.26 -4.97 116.67 127.62 2dks s ASP 49 Ca 0.80 -2.14 -0.04 0.00 0.71 0.00 0.00 52.55 51.88 2dks s ASP 49 Cb -0.19 -1.60 0.34 0.00 1.01 0.00 0.00 42.92 42.47 2dks s ASP 49 CO 0.28 -0.38 1.90 0.00 0.21 0.00 0.00 175.17 177.18 2dks h ALA 50 N 7.63 1.27 0.00 5.23 0.00 -1.97 -1.22 119.26 130.20 2dks h ALA 50 Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2dks h ALA 50 Cb 1.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dks h ALA 50 CO 0.52 0.60 -0.13 -0.91 0.00 0.00 0.00 179.25 179.33 2dks h ASN 51 N 1.14 0.00 -0.38 0.00 2.35 -2.00 -1.78 115.58 114.90 2dks h ASN 51 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2dks h ASN 51 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2dks h ASN 51 CO -0.05 0.13 0.00 0.54 -1.65 0.00 0.00 177.43 176.40 2dks n ARG 52 N -3.73 3.50 -1.61 0.81 5.12 -0.59 -4.68 116.66 115.49 2dks n ARG 52 Ca -0.02 -2.86 -0.47 0.00 -1.93 0.00 0.00 57.85 52.57 2dks n ARG 52 Cb 0.24 -1.91 -0.05 0.00 -1.16 0.00 0.00 32.46 29.59 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 0.02 1.98 0.06 5.56 0.63 -0.57 -2.87 116.66 121.47 2dks n ARG 53 Ca 0.23 0.66 -0.08 0.00 -0.92 0.00 0.00 57.85 57.73 2dks n ARG 53 Cb 0.93 -2.79 -0.06 0.00 0.45 0.00 0.00 32.46 30.99 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 6.22 0.53 -1.80 5.15 2.04 -1.76 -2.55 117.51 125.35 2dks h ILE 54 Ca -0.43 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.38 2dks h ILE 54 Cb 1.27 0.92 -0.21 0.00 -0.74 0.00 0.00 36.82 38.06 2dks h ILE 54 CO 0.96 0.15 0.34 -0.51 0.00 0.00 0.00 178.15 179.10 2dks s ILE 55 N -2.91 0.00 -0.02 -0.67 2.07 -1.25 -2.03 121.20 116.39 2dks s ILE 55 Ca -0.09 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 2dks s ILE 55 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2dks s ILE 55 CO 0.33 0.00 -0.06 -0.83 -1.91 0.00 0.00 174.94 172.47 2dks s GLY 56 N -0.85 0.39 0.06 1.50 0.00 -1.07 -1.58 107.32 105.76 2dks s GLY 56 Ca -0.05 -0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.51 2dks s GLY 56 CO 0.04 -0.04 -0.19 -0.47 0.00 0.00 0.00 173.10 172.45 2dks s TYR 57 N 0.17 1.63 -0.17 1.90 5.04 0.92 -1.74 117.35 125.10 2dks s TYR 57 Ca -0.02 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 2dks s TYR 57 Cb -0.07 -0.95 0.03 0.00 0.35 0.00 0.00 41.96 41.33 2dks s TYR 57 CO -0.00 0.10 -0.11 0.08 -1.34 0.00 0.00 175.55 174.28 2dks s VAL 58 N -0.93 1.51 0.36 3.14 1.01 -0.68 -0.52 120.40 124.30 2dks s VAL 58 Ca 0.05 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2dks s VAL 58 Cb -0.09 -1.53 0.15 0.00 0.00 0.00 0.00 36.38 34.91 2dks s VAL 58 CO 0.02 0.29 1.88 0.40 0.00 0.00 0.00 175.10 177.69 2dks h ILE 59 N 6.25 1.19 -0.49 2.22 2.04 -1.75 0.71 117.51 127.69 2dks h ILE 59 Ca -0.31 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 64.74 2dks h ILE 59 Cb 1.12 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 2dks h ILE 59 CO 0.48 0.27 -0.29 -0.24 0.00 0.00 0.00 178.15 178.37 2dks n SER 60 N -4.26 -0.52 -0.30 1.72 2.88 -1.24 -2.97 113.62 108.94 2dks n SER 60 Ca -0.00 1.26 0.06 0.00 -1.33 0.00 0.00 58.87 58.86 2dks n SER 60 Cb 0.28 -0.31 0.09 0.00 -0.75 0.00 0.00 64.21 63.52 2dks n SER 60 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2dks n ASN 61 N -4.11 1.46 -3.62 -3.46 6.94 -1.22 -5.00 115.26 106.24 2dks n ASN 61 Ca 0.01 -2.73 -0.23 0.00 -0.02 0.00 0.00 54.58 51.61 2dks n ASN 61 Cb 0.13 -0.35 0.04 0.00 -2.36 0.00 0.00 39.78 37.23 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dks n GLN 62 N -0.86 -3.52 -3.37 -3.83 6.02 0.24 -4.95 117.38 107.11 2dks n GLN 62 Ca 0.10 0.62 -0.39 0.00 -0.01 0.00 0.00 57.00 57.32 2dks n GLN 62 Cb 0.68 -5.01 -0.09 0.00 1.02 0.00 0.00 30.24 26.84 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 4.01 -0.16 -1.09 0.74 -0.72 -4.86 119.66 111.85 2dks s GLN 63 Ca 0.20 0.06 -0.06 0.00 0.05 0.00 0.00 55.36 55.61 2dks s GLN 63 Cb -0.05 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 2dks s GLN 63 CO 0.81 -0.30 0.03 0.42 -0.55 0.00 0.00 175.29 175.70 2dks s ILE 64 N 2.10 4.47 -0.27 -2.34 -1.09 -1.26 -1.68 121.20 121.13 2dks s ILE 64 Ca 0.16 -0.15 -0.03 0.00 -2.23 0.00 0.00 60.65 58.39 2dks s ILE 64 Cb -0.16 -2.98 0.09 0.00 -1.58 0.00 0.00 42.46 37.83 2dks s ILE 64 CO 0.10 0.49 0.10 -0.89 -1.23 0.00 0.00 174.94 173.51 2dks s THR 65 N 0.21 0.30 -0.12 2.92 2.01 -0.71 -5.04 115.64 115.21 2dks s THR 65 Ca 0.02 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 2dks s THR 65 Cb -0.13 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 2dks s THR 65 CO 0.01 -0.59 1.54 -2.16 -0.69 0.00 0.00 174.62 172.74 2dks s PRO 66 N 1.92 4.10 0.47 4.92 0.04 -1.26 -2.61 135.00 142.58 2dks s PRO 66 Ca 0.07 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 2dks s PRO 66 Cb -0.17 -3.94 0.11 0.00 0.04 0.00 0.00 34.50 30.55 2dks s PRO 66 CO -0.26 -0.92 0.51 0.41 0.04 0.00 0.00 177.00 176.77 2dks n GLY 67 N 4.13 -1.99 0.23 0.56 0.00 -0.86 -4.93 105.19 102.33 2dks n GLY 67 Ca 0.17 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.22 1.61 0.13 -1.78 -3.01 132.00 127.73 2dks h PRO 68 Ca -0.18 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.59 2dks h PRO 68 Cb 0.51 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.46 2dks h PRO 68 CO 0.12 0.21 0.47 0.00 -0.23 0.00 0.00 178.00 178.56 2dks n ALA 69 N -2.24 4.94 -2.47 -0.56 0.00 -0.98 -4.90 120.51 114.30 2dks n ALA 69 Ca -0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 53.44 51.19 2dks n ALA 69 Cb 0.38 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.15 2.64 -0.04 0.00 5.04 -1.14 -4.48 117.35 117.23 2dks s TYR 70 Ca 0.37 -0.20 0.06 0.00 -2.44 0.00 0.00 57.07 54.85 2dks s TYR 70 Cb 0.30 -1.56 0.09 0.00 0.35 0.00 0.00 41.96 41.14 2dks s TYR 70 CO 0.03 0.22 1.03 0.43 -1.34 0.00 0.00 175.55 175.91 2dks n SER 71 N 1.95 0.73 -3.09 4.32 7.64 -1.26 -5.00 113.62 118.90 2dks n SER 71 Ca -0.16 -2.28 -0.16 0.00 1.01 0.00 0.00 58.87 57.27 2dks n SER 71 Cb 0.52 -0.26 0.07 0.00 -1.01 0.00 0.00 64.21 63.54 2dks n SER 71 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2dks n ASN 72 N -0.43 -3.28 0.00 6.43 2.85 -1.26 -4.90 115.26 114.66 2dks n ASN 72 Ca 0.05 -0.50 0.00 0.00 -0.11 0.00 0.00 54.58 54.01 2dks n ASN 72 Cb 0.67 -4.42 0.00 0.00 1.24 0.00 0.00 39.78 37.27 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2dks n ARG 73 N -3.89 0.69 -3.12 1.20 1.74 -1.26 -5.08 116.66 106.94 2dks n ARG 73 Ca -0.16 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.56 2dks n ARG 73 Cb 0.61 -0.69 -0.06 0.00 -1.02 0.00 0.00 32.46 31.31 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 -1.37 4.20 -0.05 5.56 8.01 -1.26 -3.51 118.70 130.29 2dks s GLU 74 Ca 0.00 0.82 -0.01 0.00 0.01 0.00 0.00 54.97 55.80 2dks s GLU 74 Cb 0.00 -2.83 0.03 0.00 -4.31 0.00 0.00 34.13 27.02 2dks s GLU 74 CO 0.00 0.37 0.01 0.99 0.01 0.00 0.00 175.26 176.64 2dks s THR 75 N -1.57 0.21 1.01 3.63 2.01 -0.86 -4.96 115.64 115.11 2dks s THR 75 Ca 0.44 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.45 2dks s THR 75 Cb -0.16 -0.36 0.19 0.00 0.01 0.00 0.00 72.50 72.19 2dks s THR 75 CO 0.20 0.19 1.11 -0.63 -0.69 0.00 0.00 174.62 174.81 2dks s ILE 76 N 1.53 1.96 0.10 1.82 1.09 -1.26 -0.68 121.20 125.76 2dks s ILE 76 Ca -0.02 0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.53 2dks s ILE 76 Cb -0.13 -2.55 -0.04 0.00 -1.06 0.00 0.00 42.46 38.68 2dks s ILE 76 CO -0.03 0.00 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.47 2dks s TYR 77 N -3.05 0.83 -2.00 3.97 1.51 0.13 -4.81 117.35 113.93 2dks s TYR 77 Ca 0.66 -1.00 0.12 0.00 -1.01 0.00 0.00 57.07 55.83 2dks s TYR 77 Cb -0.17 -0.50 0.69 0.00 -0.11 0.00 0.00 41.96 41.87 2dks s TYR 77 CO 0.56 -0.26 1.12 -0.35 -1.11 0.00 0.00 175.55 175.52 2dks n PRO 78 N -0.03 0.49 -0.19 -1.71 -0.04 -1.26 -2.03 135.00 130.22 2dks n PRO 78 Ca -0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2dks n PRO 78 Cb 0.61 -1.37 0.14 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.87 2.05 -1.13 3.54 3.02 -1.26 -4.95 115.26 115.66 2dks n ASN 79 Ca 0.09 -3.08 -0.12 0.00 -0.03 0.00 0.00 54.58 51.43 2dks n ASN 79 Cb 0.04 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dks n ALA 80 N -1.25 -0.27 -2.88 5.41 0.00 -0.86 -4.45 120.51 116.21 2dks n ALA 80 Ca 0.15 0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.47 2dks n ALA 80 Cb 0.66 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.67 5.99 -0.11 0.00 0.01 -1.25 -4.69 113.70 110.98 2dks s SER 81 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2dks s SER 81 Cb 0.00 -1.71 0.02 0.00 0.21 0.00 0.00 66.02 64.54 2dks s SER 81 CO 0.00 0.06 -0.10 -0.22 0.41 0.00 0.00 173.24 173.38 2dks s LEU 82 N -3.20 1.41 -0.36 2.44 2.96 -1.15 0.20 118.68 120.99 2dks s LEU 82 Ca 0.33 -0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 53.72 2dks s LEU 82 Cb -0.11 -0.93 -0.00 0.00 0.50 0.00 0.00 46.19 45.65 2dks s LEU 82 CO 0.26 -0.07 0.45 -0.22 -1.32 0.00 0.00 176.35 175.46 2dks s LEU 83 N 1.41 4.44 -0.19 -0.68 2.96 0.14 -1.60 118.68 125.16 2dks s LEU 83 Ca 0.00 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.58 2dks s LEU 83 Cb -0.13 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 2dks s LEU 83 CO -0.06 -0.44 0.38 -0.32 -1.32 0.00 0.00 176.35 174.59 2dks s MET 84 N 2.23 4.19 0.06 1.98 -2.45 0.70 -2.03 119.30 123.99 2dks s MET 84 Ca 0.15 0.18 0.05 0.00 -1.25 0.00 0.00 55.69 54.83 2dks s MET 84 Cb -0.16 -3.52 -0.04 0.00 1.25 0.00 0.00 34.83 32.37 2dks s MET 84 CO 0.13 0.02 -0.04 1.03 1.05 0.00 0.00 175.02 177.20 2dks s ARG 85 N 1.14 2.48 -1.27 4.11 0.52 -1.23 0.11 118.95 124.82 2dks s ARG 85 Ca 0.19 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 2dks s ARG 85 Cb -0.14 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.83 2dks s ARG 85 CO 0.07 0.56 0.72 0.09 0.02 0.00 0.00 175.30 176.76 2dks n ASN 86 N 0.93 -2.12 -4.59 0.23 3.02 -0.88 -4.88 115.26 106.96 2dks n ASN 86 Ca -0.13 -0.84 -0.31 0.00 -0.03 0.00 0.00 54.58 53.27 2dks n ASN 86 Cb 0.52 -4.04 0.16 0.00 -0.61 0.00 0.00 39.78 35.82 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 -4.18 0.00 -3.98 2.41 0.24 -0.06 -4.46 118.33 108.30 2dks n VAL 87 Ca -0.26 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.34 61.88 2dks n VAL 87 Cb 0.66 -0.91 -0.10 0.00 -1.47 0.00 0.00 33.84 32.03 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 -2.56 0.15 0.41 3.34 -4.23 -1.26 -1.09 115.64 110.40 2dks s THR 88 Ca 0.65 -1.21 0.19 0.00 -1.18 0.00 0.00 61.69 60.14 2dks s THR 88 Cb -0.23 -0.87 0.40 0.00 1.34 0.00 0.00 72.50 73.14 2dks s THR 88 CO 0.61 -0.67 1.79 0.08 -0.54 0.00 0.00 174.62 175.89 2dks h ARG 89 N 3.81 0.36 -0.31 3.99 0.11 -1.97 0.95 114.38 121.32 2dks h ARG 89 Ca -0.33 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.68 2dks h ARG 89 Cb 1.18 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 2dks h ARG 89 CO 0.52 0.24 0.01 -0.91 0.10 0.00 0.00 179.97 179.93 2dks h ASN 90 N 0.37 0.53 -0.94 0.08 2.35 -1.96 -3.00 115.58 113.02 2dks h ASN 90 Ca 0.57 -0.30 0.28 0.00 -0.55 0.00 0.00 56.30 56.30 2dks h ASN 90 Cb 1.50 -0.14 -0.15 0.00 0.05 0.00 0.00 38.32 39.57 2dks h ASN 90 CO -0.26 0.70 0.34 0.44 -1.65 0.00 0.00 177.43 177.00 2dks h ASP 91 N 0.35 0.13 -1.53 5.81 3.32 -1.21 -3.40 116.42 119.89 2dks h ASP 91 Ca 0.09 0.21 -0.74 0.00 0.02 0.00 0.00 57.03 56.61 2dks h ASP 91 Cb 0.42 0.25 0.02 0.00 0.22 0.00 0.00 39.33 40.24 2dks h ASP 91 CO 0.01 -0.19 0.79 0.41 -1.72 0.00 0.00 179.24 178.54 2dks n THR 92 N -5.20 0.22 0.00 0.35 -1.04 -1.14 -4.50 114.28 102.98 2dks n THR 92 Ca 0.26 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 2dks n THR 92 Cb 0.83 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 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 3.80 -1.76 3.62 3.41 0.00 -1.26 -5.04 105.19 107.98 2dks n GLY 93 Ca 0.25 0.74 -0.13 0.00 0.00 0.00 0.00 46.02 46.88 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 -0.66 -0.14 1.61 0.01 -1.26 -4.84 113.70 104.42 2dks s SER 94 Ca 0.00 1.24 -0.03 0.00 1.31 0.00 0.00 55.95 58.47 2dks s SER 94 Cb 0.00 1.24 0.05 0.00 0.21 0.00 0.00 66.02 67.52 2dks s SER 94 CO 0.00 -0.25 0.03 -0.31 0.41 0.00 0.00 173.24 173.13 2dks s TYR 95 N 0.22 0.72 -0.05 2.43 1.51 -1.00 -0.79 117.35 120.38 2dks s TYR 95 Ca 0.00 -0.47 -0.20 0.00 -1.01 0.00 0.00 57.07 55.39 2dks s TYR 95 Cb -0.05 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.89 2dks s TYR 95 CO -0.00 -0.47 0.58 0.99 -1.11 0.00 0.00 175.55 175.54 2dks s THR 96 N 1.96 5.02 -0.24 -0.71 2.01 -0.93 -1.13 115.64 121.62 2dks s THR 96 Ca 0.02 1.21 0.02 0.00 0.31 0.00 0.00 61.69 63.25 2dks s THR 96 Cb -0.15 -3.92 0.05 0.00 0.01 0.00 0.00 72.50 68.49 2dks s THR 96 CO -0.07 0.35 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.87 2dks s LEU 97 N 0.26 3.07 -0.15 4.42 1.98 -0.81 0.39 118.68 127.84 2dks s LEU 97 Ca 0.31 -1.21 -0.07 0.00 -2.89 0.00 0.00 54.13 50.26 2dks s LEU 97 Cb -0.17 -1.49 -0.04 0.00 0.66 0.00 0.00 46.19 45.15 2dks s LEU 97 CO 0.15 -0.16 0.10 -1.58 -1.89 0.00 0.00 176.35 172.98 2dks s GLN 98 N 1.18 3.72 -0.13 1.98 0.74 0.05 -2.61 119.66 124.58 2dks s GLN 98 Ca -0.06 -0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.15 2dks s GLN 98 Cb -0.18 -3.22 0.01 0.00 1.10 0.00 0.00 33.01 30.72 2dks s GLN 98 CO -0.07 0.53 -0.22 0.08 -0.55 0.00 0.00 175.29 175.06 2dks s VAL 99 N -0.32 2.05 0.15 1.34 1.01 -1.22 -1.53 120.40 121.86 2dks s VAL 99 Ca 0.10 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 2dks s VAL 99 Cb -0.12 -1.80 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 2dks s VAL 99 CO 0.01 0.55 0.59 -0.63 0.00 0.00 0.00 175.10 175.62 2dks s ILE 100 N 0.70 4.77 0.00 2.22 1.09 -0.33 0.17 121.20 129.83 2dks s ILE 100 Ca -0.10 1.01 0.03 0.00 -1.10 0.00 0.00 60.65 60.48 2dks s ILE 100 Cb -0.16 -3.79 -0.03 0.00 -1.06 0.00 0.00 42.46 37.41 2dks s ILE 100 CO 0.01 0.30 -0.04 -0.54 -0.10 0.00 0.00 174.94 174.56 2dks s LYS 101 N -1.79 2.62 0.54 2.79 1.02 0.95 0.23 119.74 126.10 2dks s LYS 101 Ca 0.37 -0.69 0.19 0.00 0.02 0.00 0.00 55.97 55.86 2dks s LYS 101 Cb -0.16 -2.56 1.03 0.00 -0.52 0.00 0.00 37.83 35.62 2dks s LYS 101 CO 0.19 0.61 1.53 -0.07 -0.92 0.00 0.00 175.35 176.70 2dks h LEU 102 N 4.43 0.00 -2.76 3.17 -0.00 -1.68 0.16 115.31 118.62 2dks h LEU 102 Ca -0.49 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.20 2dks h LEU 102 Cb 1.17 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.72 2dks h LEU 102 CO 0.55 0.00 0.24 -0.46 -0.00 0.00 0.00 178.44 178.77 2dks n ASN 103 N -2.51 3.49 -3.82 -0.43 6.94 -1.26 -4.83 115.26 112.83 2dks n ASN 103 Ca -0.01 -2.60 -0.23 0.00 -0.02 0.00 0.00 54.58 51.72 2dks n ASN 103 Cb 0.47 -0.66 0.01 0.00 -2.36 0.00 0.00 39.78 37.24 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 -0.03 -2.69 -4.37 -4.53 4.77 0.52 -4.98 117.00 105.69 2dks n LEU 104 Ca 0.21 -0.91 -0.20 0.00 -0.03 0.00 0.00 56.01 55.08 2dks n LEU 104 Cb 0.89 -2.45 -0.09 0.00 -2.33 0.00 0.00 43.42 39.44 2dks n LEU 104 CO 0.22 0.42 -0.20 -0.04 -1.33 0.00 0.00 177.39 176.46 2dks s MET 105 N -6.25 1.67 -0.02 3.23 -1.94 -1.06 -4.95 119.30 109.98 2dks s MET 105 Ca 0.00 -1.97 -0.12 0.00 -1.71 0.00 0.00 55.69 51.89 2dks s MET 105 Cb -0.00 -0.23 0.02 0.00 2.01 0.00 0.00 34.83 36.63 2dks s MET 105 CO 0.85 -0.45 0.26 -1.54 -0.01 0.00 0.00 175.02 174.13 2dks s SER 106 N -3.43 -0.14 0.45 3.03 1.04 -1.26 -0.04 113.70 113.36 2dks s SER 106 Ca 0.34 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.84 2dks s SER 106 Cb 0.05 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.50 2dks s SER 106 CO 0.17 -0.39 0.22 -0.62 0.98 0.00 0.00 173.24 173.60 2dks n GLU 107 N 1.50 0.86 -3.75 4.02 -0.58 0.13 -4.92 120.64 117.91 2dks n GLU 107 Ca -0.21 -2.98 -0.13 0.00 -0.42 0.00 0.00 57.16 53.42 2dks n GLU 107 Cb 0.56 0.50 -0.11 0.00 -0.57 0.00 0.00 31.44 31.82 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 -3.77 0.36 -0.29 3.49 8.01 -1.26 -3.45 118.70 121.79 2dks s GLU 108 Ca 0.17 0.51 -0.05 0.00 0.01 0.00 0.00 54.97 55.60 2dks s GLU 108 Cb -0.01 0.12 0.15 0.00 -4.31 0.00 0.00 34.13 30.08 2dks s GLU 108 CO 0.10 -0.07 0.58 0.54 0.01 0.00 0.00 175.26 176.42 2dks s VAL 109 N 0.47 -0.93 -0.62 2.63 0.11 -1.07 -4.81 120.40 116.18 2dks s VAL 109 Ca -0.02 0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.76 2dks s VAL 109 Cb -0.04 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2dks s VAL 109 CO -0.02 -0.01 1.18 -0.89 -3.33 0.00 0.00 175.10 172.04 2dks s THR 110 N 2.82 3.99 -0.22 5.04 2.01 -1.26 -1.92 115.64 126.10 2dks s THR 110 Ca 0.08 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.78 2dks s THR 110 Cb -0.14 -4.76 0.05 0.00 0.01 0.00 0.00 72.50 67.67 2dks s THR 110 CO -0.19 -1.45 -0.07 -0.83 -0.69 0.00 0.00 174.62 171.39 2dks s GLY 111 N 3.16 1.27 0.31 4.40 0.00 -0.29 -4.69 107.32 111.48 2dks s GLY 111 Ca 0.39 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.90 2dks s GLY 111 CO 0.22 0.84 0.22 0.61 0.00 0.00 0.00 173.10 174.99 2dks n GLN 112 N 4.68 0.42 -4.24 2.90 0.00 -1.26 -3.94 117.38 115.94 2dks n GLN 112 Ca -0.13 -2.97 -0.18 0.00 0.00 0.00 0.00 57.00 53.72 2dks n GLN 112 Cb 0.45 2.23 -0.07 0.00 0.00 0.00 0.00 30.24 32.85 2dks n GLN 112 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 2dks s PHE 113 N -3.13 1.60 -0.04 2.61 -0.71 -1.26 -4.43 117.98 112.62 2dks s PHE 113 Ca 0.31 -1.58 0.04 0.00 -1.04 0.00 0.00 56.93 54.66 2dks s PHE 113 Cb 0.02 -0.59 -0.00 0.00 -1.21 0.00 0.00 43.02 41.23 2dks s PHE 113 CO 0.22 -0.92 -0.17 -1.12 -1.34 0.00 0.00 175.22 171.89 2dks s SER 114 N -3.34 2.14 0.01 1.98 0.01 -1.23 -4.07 113.70 109.20 2dks s SER 114 Ca 0.39 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.33 2dks s SER 114 Cb 0.02 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 2dks s SER 114 CO 0.26 0.16 -0.06 -0.69 0.41 0.00 0.00 173.24 173.32 2dks s VAL 115 N -0.04 3.69 -0.07 3.43 1.01 -1.26 -2.79 120.40 124.38 2dks s VAL 115 Ca -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2dks s VAL 115 Cb -0.11 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2dks s VAL 115 CO 0.02 0.37 -0.08 -1.38 0.00 0.00 0.00 175.10 174.02 2dks s HIS 116 N -1.02 1.18 -0.51 5.22 -3.43 -0.65 -4.84 115.29 111.24 2dks s HIS 116 Ca 0.18 -0.44 -0.27 0.00 -0.80 0.00 0.00 55.06 53.73 2dks s HIS 116 Cb -0.11 -0.94 -0.02 0.00 -1.43 0.00 0.00 32.58 30.08 2dks s HIS 116 CO 0.08 -0.29 1.80 -1.25 -2.00 0.00 0.00 174.74 173.08 2dks s PRO 117 N 0.98 2.94 -0.97 -0.38 0.04 -1.26 -3.72 135.00 132.62 2dks s PRO 117 Ca -0.09 0.89 -0.27 0.00 0.04 0.00 0.00 61.00 61.57 2dks s PRO 117 Cb -0.15 -4.29 -0.24 0.00 0.04 0.00 0.00 34.50 29.86 2dks s PRO 117 CO 0.00 -2.35 2.04 0.39 0.04 0.00 0.00 177.00 177.12 2dks n GLU 118 N 8.84 0.26 -3.63 4.56 -0.58 -1.26 -4.73 120.64 124.10 2dks n GLU 118 Ca 0.21 -1.71 -0.08 0.00 -0.42 0.00 0.00 57.16 55.15 2dks n GLU 118 Cb 0.50 -3.75 -0.07 0.00 -0.57 0.00 0.00 31.44 27.55 2dks n GLU 118 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2dks s THR 119 N 15.48 0.00 0.93 2.62 -1.32 -1.26 -5.11 115.64 126.97 2dks s THR 119 Ca 0.79 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 61.15 2dks s THR 119 Cb -0.02 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.12 2dks s THR 119 CO 0.20 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.54 2dks s PRO 120 N -0.04 1.01 0.14 7.08 0.04 -1.26 -5.04 135.00 136.93 2dks s PRO 120 Ca 0.03 0.73 -0.13 0.00 0.04 0.00 0.00 61.00 61.67 2dks s PRO 120 Cb -0.04 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 2dks s PRO 120 CO -0.06 -2.39 0.52 0.15 0.04 0.00 0.00 177.00 175.26 2dks s LYS 121 N -4.94 3.94 0.65 4.56 1.02 -1.26 -5.07 119.74 118.63 2dks s LYS 121 Ca 0.64 0.43 -0.15 0.00 0.02 0.00 0.00 55.97 56.91 2dks s LYS 121 Cb -0.18 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2dks s LYS 121 CO 0.57 0.49 1.11 -1.25 -0.92 0.00 0.00 175.35 175.35 2dks s PRO 122 N -1.97 2.86 -0.25 -1.68 0.04 -1.26 -4.98 135.00 127.76 2dks s PRO 122 Ca 0.37 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2dks s PRO 122 Cb -0.15 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2dks s PRO 122 CO 0.19 -1.21 1.13 -1.54 0.04 0.00 0.00 177.00 175.61 2dks s SER 123 N -2.50 6.96 0.03 6.66 1.04 -1.26 -5.02 113.70 119.61 2dks s SER 123 Ca 0.68 1.31 0.06 0.00 0.48 0.00 0.00 55.95 58.48 2dks s SER 123 Cb -0.21 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.35 2dks s SER 123 CO 0.40 -0.81 -0.19 0.27 0.98 0.00 0.00 173.24 173.89 2dks s ILE 124 N 3.55 1.50 -0.12 -1.02 -4.36 -1.26 -5.07 121.20 114.43 2dks s ILE 124 Ca 0.48 -1.04 -0.09 0.00 -0.26 0.00 0.00 60.65 59.74 2dks s ILE 124 Cb -0.16 -1.30 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 2dks s ILE 124 CO 0.13 0.23 -0.18 -0.24 0.24 0.00 0.00 174.94 175.12 2dks n SER 125 N 2.09 1.42 -4.79 4.36 2.88 -1.26 -4.97 113.62 113.35 2dks n SER 125 Ca -0.17 0.44 -0.34 0.00 -1.33 0.00 0.00 58.87 57.48 2dks n SER 125 Cb 0.54 -0.75 0.01 0.00 -0.75 0.00 0.00 64.21 63.25 2dks n SER 125 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dks s GLY 126 N -4.06 2.36 0.43 0.46 0.00 -1.26 -4.93 107.32 100.32 2dks s GLY 126 Ca -0.15 0.60 0.30 0.00 0.00 0.00 0.00 44.72 45.47 2dks s GLY 126 CO 0.22 0.94 1.88 -0.56 0.00 0.00 0.00 173.10 175.58 2dks h PRO 127 N 0.81 0.00 -7.21 2.90 0.13 -2.02 -3.45 132.00 123.15 2dks h PRO 127 Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 2dks h PRO 127 Cb 1.24 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.57 2dks h PRO 127 CO 0.57 0.00 0.12 0.45 -0.23 0.00 0.00 178.00 178.91 2dks n SER 128 N -2.73 -0.01 -4.49 1.44 2.88 -1.26 -5.00 113.62 104.45 2dks n SER 128 Ca 0.01 0.38 -0.34 0.00 -1.33 0.00 0.00 58.87 57.59 2dks n SER 128 Cb 0.27 -1.44 -0.12 0.00 -0.75 0.00 0.00 64.21 62.17 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 -2.56 4.90 0.00 -3.46 0.01 -1.26 -5.03 113.70 106.30 2dks s SER 129 Ca 0.66 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2dks s SER 129 Cb -0.23 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2dks s SER 129 CO 0.59 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.98