#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks n SER 2 N 0.00 -1.56 -0.10 1.61 7.64 -1.26 -5.00 113.62 114.94 2dks n SER 2 Ca 0.00 -0.05 -0.21 0.00 1.01 0.00 0.00 58.87 59.62 2dks n SER 2 Cb 0.00 -1.24 -0.07 0.00 -1.01 0.00 0.00 64.21 61.89 2dks n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dks n SER 3 N -4.15 1.63 0.00 6.43 7.64 -1.26 -5.12 113.62 118.80 2dks n SER 3 Ca 0.04 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2dks n SER 3 Cb 0.55 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2dks n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dks n GLY 4 N 1.63 -1.90 3.31 0.23 0.00 -1.26 -4.89 105.19 102.31 2dks n GLY 4 Ca -0.38 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2dks n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dks s SER 5 N -4.00 3.43 -0.28 1.61 1.04 -1.26 -5.11 113.70 109.13 2dks s SER 5 Ca 0.00 -0.44 -0.23 0.00 0.48 0.00 0.00 55.95 55.76 2dks s SER 5 Cb 0.00 -1.17 0.13 0.00 0.10 0.00 0.00 66.02 65.08 2dks s SER 5 CO 0.00 0.22 1.05 -0.94 0.98 0.00 0.00 173.24 174.55 2dks s SER 6 N 0.02 -0.43 0.37 7.02 1.04 -1.26 -5.12 113.70 115.33 2dks s SER 6 Ca -0.07 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.16 2dks s SER 6 Cb -0.15 0.88 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2dks s SER 6 CO 0.05 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2dks n GLY 7 N 2.44 2.73 3.30 7.32 0.00 -1.26 -4.53 105.19 115.19 2dks n GLY 7 Ca -0.13 0.04 -0.60 0.00 0.00 0.00 0.00 46.02 45.32 2dks n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dks n THR 8 N 0.00 0.00 -3.20 2.61 -2.24 -1.26 -4.91 114.28 105.28 2dks n THR 8 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2dks n THR 8 Cb 0.00 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2dks n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dks s ALA 9 N 3.39 3.92 -0.28 6.98 0.00 -1.26 -5.09 121.76 129.42 2dks s ALA 9 Ca 0.99 -1.19 -0.21 0.00 0.00 0.00 0.00 51.96 51.55 2dks s ALA 9 Cb -1.36 -1.97 0.09 0.00 0.00 0.00 0.00 23.12 19.87 2dks s ALA 9 CO 0.71 -0.23 0.78 1.14 0.00 0.00 0.00 175.76 178.16 2dks s GLN 10 N -4.40 0.70 -0.41 0.00 -2.07 -1.26 -5.11 119.66 107.11 2dks s GLN 10 Ca 0.46 0.98 -0.32 0.00 -1.82 0.00 0.00 55.36 54.66 2dks s GLN 10 Cb -0.10 0.26 -0.11 0.00 -1.09 0.00 0.00 33.01 31.98 2dks s GLN 10 CO 0.35 -0.11 2.27 -0.11 -1.32 0.00 0.00 175.29 176.38 2dks n LEU 11 N 3.26 2.15 -4.65 2.60 7.94 -1.26 -4.65 117.00 122.39 2dks n LEU 11 Ca -0.16 0.22 -0.28 0.00 -1.11 0.00 0.00 56.01 54.68 2dks n LEU 11 Cb 0.57 -1.32 -0.10 0.00 0.53 0.00 0.00 43.42 43.09 2dks n LEU 11 CO 0.01 -0.86 -0.27 0.28 -1.11 0.00 0.00 177.39 175.44 2dks s THR 12 N 8.36 1.94 -0.11 1.96 -1.32 -1.02 -4.55 115.64 120.91 2dks s THR 12 Ca 1.09 -1.97 -0.06 0.00 -1.21 0.00 0.00 61.69 59.54 2dks s THR 12 Cb -0.72 -2.91 0.05 0.00 -1.51 0.00 0.00 72.50 67.41 2dks s THR 12 CO 0.44 0.00 0.27 -0.63 -2.21 0.00 0.00 174.62 172.49 2dks s ILE 13 N -2.72 -0.03 -0.20 5.08 1.01 -1.26 -1.46 121.20 121.62 2dks s ILE 13 Ca 0.33 0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.11 2dks s ILE 13 Cb 0.09 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 42.18 2dks s ILE 13 CO 0.17 0.05 -0.11 -0.70 0.00 0.00 0.00 174.94 174.34 2dks s GLU 14 N 1.12 2.16 0.33 2.79 2.12 -0.74 -4.78 118.70 121.70 2dks s GLU 14 Ca -0.08 -0.89 -0.29 0.00 0.36 0.00 0.00 54.97 54.07 2dks s GLU 14 Cb -0.09 -2.47 -0.11 0.00 0.26 0.00 0.00 34.13 31.72 2dks s GLU 14 CO -0.08 -0.41 1.41 0.00 -0.54 0.00 0.00 175.26 175.64 2dks s ALA 15 N 1.35 3.56 -0.19 6.30 0.00 -1.26 -2.36 121.76 129.17 2dks s ALA 15 Ca -0.01 1.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 2dks s ALA 15 Cb -0.16 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.47 2dks s ALA 15 CO -0.08 -0.83 0.08 0.08 0.00 0.00 0.00 175.76 175.01 2dks s VAL 16 N -0.86 0.07 1.07 0.00 1.01 0.14 -2.55 120.40 119.28 2dks s VAL 16 Ca 0.53 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2dks s VAL 16 Cb -0.43 -0.72 0.22 0.00 0.00 0.00 0.00 36.38 35.45 2dks s VAL 16 CO 0.55 -0.30 1.10 -2.16 0.00 0.00 0.00 175.10 174.28 2dks s PRO 17 N 2.07 -0.17 0.32 2.72 0.04 -1.26 0.03 135.00 138.75 2dks s PRO 17 Ca 0.02 0.31 0.16 0.00 0.04 0.00 0.00 61.00 61.53 2dks s PRO 17 Cb -0.16 -1.69 0.40 0.00 0.04 0.00 0.00 34.50 33.09 2dks s PRO 17 CO -0.11 -3.09 1.60 1.03 0.04 0.00 0.00 177.00 176.47 2dks h SER 18 N -2.14 0.00 -2.07 6.66 0.87 -1.88 -3.42 113.55 111.56 2dks h SER 18 Ca -0.52 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.80 2dks h SER 18 Cb 1.32 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.96 2dks h SER 18 CO 0.51 0.47 -0.57 0.20 -0.53 0.00 0.00 176.83 176.91 2dks s ASN 19 N -6.47 0.93 0.33 6.23 -0.87 -1.26 -3.32 114.94 110.51 2dks s ASN 19 Ca 0.01 -0.26 0.05 0.00 -1.57 0.00 0.00 52.86 51.10 2dks s ASN 19 Cb 0.10 0.78 0.05 0.00 -0.02 0.00 0.00 41.25 42.15 2dks s ASN 19 CO 0.72 -0.34 0.41 0.00 -2.57 0.00 0.00 177.10 175.32 2dks n ALA 20 N 5.34 0.66 -2.53 0.60 0.00 -1.06 -4.89 120.51 118.62 2dks n ALA 20 Ca -0.03 -1.24 -0.25 0.00 0.00 0.00 0.00 53.44 51.92 2dks n ALA 20 Cb 0.49 0.39 -0.10 0.00 0.00 0.00 0.00 19.45 20.22 2dks n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dks s ALA 21 N -2.42 3.00 0.11 0.00 0.00 -1.25 -0.40 121.76 120.80 2dks s ALA 21 Ca 0.31 -2.01 -0.36 0.00 0.00 0.00 0.00 51.96 49.90 2dks s ALA 21 Cb -0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 23.12 22.75 2dks s ALA 21 CO 0.20 0.11 1.31 0.39 0.00 0.00 0.00 175.76 177.77 2dks n GLU 22 N -0.81 1.20 0.00 0.00 1.02 -1.25 -0.28 120.64 120.51 2dks n GLU 22 Ca -0.05 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2dks n GLU 22 Cb 0.63 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 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 2.45 3.00 3.66 0.62 0.00 -0.32 -4.90 105.19 109.71 2dks n GLY 23 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.25 -0.89 0.05 1.61 -0.14 0.61 -3.41 119.74 117.33 2dks s LYS 24 Ca 0.00 -0.15 0.08 0.00 -1.36 0.00 0.00 55.97 54.54 2dks s LYS 24 Cb 0.00 -1.64 -0.03 0.00 -1.68 0.00 0.00 37.83 34.48 2dks s LYS 24 CO 0.00 -3.48 -0.24 -1.21 -0.76 0.00 0.00 175.35 169.67 2dks s GLU 25 N -5.52 1.57 -0.13 1.68 8.01 -1.26 -1.33 118.70 121.73 2dks s GLU 25 Ca 0.72 -1.05 0.00 0.00 0.01 0.00 0.00 54.97 54.65 2dks s GLU 25 Cb -0.08 -1.74 0.02 0.00 -4.31 0.00 0.00 34.13 28.02 2dks s GLU 25 CO 0.55 0.45 -0.11 0.08 0.01 0.00 0.00 175.26 176.23 2dks s VAL 26 N -0.83 1.34 -0.37 2.63 1.01 0.43 -4.46 120.40 120.14 2dks s VAL 26 Ca 0.10 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2dks s VAL 26 Cb -0.09 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2dks s VAL 26 CO 0.02 0.42 0.43 -0.22 0.00 0.00 0.00 175.10 175.75 2dks s LEU 27 N 1.55 4.55 -0.81 3.92 2.96 0.11 -0.49 118.68 130.47 2dks s LEU 27 Ca 0.04 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.41 2dks s LEU 27 Cb -0.13 -2.42 0.10 0.00 0.50 0.00 0.00 46.19 44.23 2dks s LEU 27 CO -0.09 -0.46 1.08 -0.76 -1.32 0.00 0.00 176.35 174.80 2dks s LEU 28 N 2.17 4.60 0.63 -0.68 1.43 -0.60 0.28 118.68 126.51 2dks s LEU 28 Ca 0.14 -1.50 -0.14 0.00 -1.03 0.00 0.00 54.13 51.59 2dks s LEU 28 Cb -0.16 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 2dks s LEU 28 CO 0.13 -1.28 1.07 -0.76 0.23 0.00 0.00 176.35 175.73 2dks s LEU 29 N 3.54 3.39 -0.09 1.79 1.43 -0.99 -2.90 118.68 124.85 2dks s LEU 29 Ca 0.29 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.22 2dks s LEU 29 Cb -0.10 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.60 2dks s LEU 29 CO -0.00 -1.33 -0.15 -0.69 0.23 0.00 0.00 176.35 174.40 2dks s VAL 30 N -2.56 1.45 0.33 -1.59 1.01 -1.26 -1.78 120.40 115.99 2dks s VAL 30 Ca 0.63 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.06 2dks s VAL 30 Cb -0.16 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2dks s VAL 30 CO 0.42 0.43 0.07 -1.00 0.00 0.00 0.00 175.10 175.02 2dks s HIS 31 N 0.76 2.65 -1.96 5.22 0.09 -0.54 -4.60 115.29 116.91 2dks s HIS 31 Ca -0.12 -0.37 0.00 0.00 -0.00 0.00 0.00 55.06 54.57 2dks s HIS 31 Cb -0.16 -1.50 0.00 0.00 -0.00 0.00 0.00 32.58 30.92 2dks s HIS 31 CO 0.02 0.44 0.00 0.09 -0.00 0.00 0.00 174.74 175.29 2dks n ASN 32 N -1.04 -5.66 -4.33 1.40 3.02 -1.26 -2.42 115.26 104.97 2dks n ASN 32 Ca -0.04 0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 54.41 2dks n ASN 32 Cb 0.61 -4.82 0.11 0.00 -0.61 0.00 0.00 39.78 35.07 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 -2.65 -1.43 0.00 3.41 4.77 -1.26 -4.31 117.00 115.52 2dks n LEU 33 Ca -0.23 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2dks n LEU 33 Cb 0.68 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2dks n LEU 33 CO 0.30 -3.97 0.00 -0.81 -1.33 0.00 0.00 177.39 171.58 2dks n PRO 34 N -0.97 -0.53 -0.11 3.23 -0.04 -1.26 -5.03 135.00 130.29 2dks n PRO 34 Ca 0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 2dks n PRO 34 Cb 0.55 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 2dks n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dks n GLN 35 N -1.15 0.57 -3.67 0.54 10.64 -1.26 -4.79 117.38 118.27 2dks n GLN 35 Ca 0.00 0.50 -0.29 0.00 -1.83 0.00 0.00 57.00 55.38 2dks n GLN 35 Cb 0.00 -1.68 -0.12 0.00 -0.86 0.00 0.00 30.24 27.58 2dks n GLN 35 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dks s ASP 36 N -6.96 3.35 -1.08 2.61 1.01 -1.26 -5.05 116.67 109.28 2dks s ASP 36 Ca -0.31 -2.97 -0.23 0.00 0.71 0.00 0.00 52.55 49.74 2dks s ASP 36 Cb 0.08 -0.99 -0.07 0.00 1.01 0.00 0.00 42.92 42.94 2dks s ASP 36 CO 0.55 -0.21 1.94 -2.16 0.21 0.00 0.00 175.17 175.51 2dks s PRO 37 N -0.07 2.51 0.45 8.23 0.04 -1.26 -1.83 135.00 143.07 2dks s PRO 37 Ca 0.23 -0.83 0.33 0.00 0.04 0.00 0.00 61.00 60.77 2dks s PRO 37 Cb -0.13 -5.17 1.49 0.00 0.04 0.00 0.00 34.50 30.73 2dks s PRO 37 CO -0.08 -3.76 1.59 -0.09 0.04 0.00 0.00 177.00 174.70 2dks h ARG 38 N 10.34 0.03 -1.07 4.56 2.43 0.24 -3.42 114.38 127.48 2dks h ARG 38 Ca 0.17 -0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.56 2dks h ARG 38 Cb 0.96 -0.01 -0.29 0.00 -0.42 0.00 0.00 29.97 30.22 2dks h ARG 38 CO 1.22 0.02 0.93 0.20 -1.51 0.00 0.00 179.97 180.82 2dks s GLY 39 N -4.20 0.14 0.12 2.80 0.00 -1.17 -2.49 107.32 102.52 2dks s GLY 39 Ca -0.07 2.98 -0.02 0.00 0.00 0.00 0.00 44.72 47.60 2dks s GLY 39 CO 0.83 1.30 0.31 -0.19 0.00 0.00 0.00 173.10 175.35 2dks s TYR 40 N -0.77 3.49 -0.24 1.90 2.02 0.33 -1.17 117.35 122.91 2dks s TYR 40 Ca 0.08 0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 57.13 2dks s TYR 40 Cb -0.02 -1.87 0.13 0.00 -0.40 0.00 0.00 41.96 39.80 2dks s TYR 40 CO -0.09 0.49 0.43 -0.80 -1.57 0.00 0.00 175.55 174.00 2dks s ASN 41 N -2.61 -0.18 0.32 2.29 0.01 -0.53 -0.96 114.94 113.28 2dks s ASN 41 Ca 0.38 0.57 0.01 0.00 -0.71 0.00 0.00 52.86 53.11 2dks s ASN 41 Cb -0.12 1.37 -0.03 0.00 0.41 0.00 0.00 41.25 42.88 2dks s ASN 41 CO 0.27 -0.27 0.51 0.26 -1.51 0.00 0.00 177.10 176.35 2dks s TRP 42 N 2.62 3.49 0.17 2.20 0.52 -0.92 -0.49 118.94 126.52 2dks s TRP 42 Ca 0.10 0.32 -0.11 0.00 0.02 0.00 0.00 56.10 56.43 2dks s TRP 42 Cb -0.14 -1.86 0.00 0.00 -1.15 0.00 0.00 33.47 30.31 2dks s TRP 42 CO -0.16 0.19 0.34 0.71 0.02 0.00 0.00 176.95 178.05 2dks s TYR 43 N -2.22 0.25 -0.39 -1.98 1.51 0.12 -2.60 117.35 112.04 2dks s TYR 43 Ca 0.39 -0.61 -0.10 0.00 -1.01 0.00 0.00 57.07 55.74 2dks s TYR 43 Cb -0.10 0.05 0.05 0.00 -0.11 0.00 0.00 41.96 41.86 2dks s TYR 43 CO 0.34 -0.75 0.23 0.21 -1.11 0.00 0.00 175.55 174.47 2dks s LYS 44 N -3.94 2.74 0.00 -0.62 2.20 -0.95 -2.04 119.74 117.14 2dks s LYS 44 Ca 0.14 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.51 2dks s LYS 44 Cb 0.02 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2dks s LYS 44 CO -0.02 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 2dks n GLY 45 N 4.97 0.38 1.94 5.54 0.00 -0.51 -4.84 105.19 112.67 2dks n GLY 45 Ca -0.11 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.31 3.23 -3.58 1.61 1.02 -1.26 -2.86 120.64 118.48 2dks n GLU 46 Ca 0.00 -3.07 -0.05 0.00 -0.02 0.00 0.00 57.16 54.02 2dks n GLU 46 Cb 0.00 -2.16 -0.02 0.00 -0.02 0.00 0.00 31.44 29.24 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 -0.47 2.62 -1.32 -1.26 -5.02 115.64 107.12 2dks s THR 47 Ca 0.54 -0.10 -0.28 0.00 -1.21 0.00 0.00 61.69 60.65 2dks s THR 47 Cb 0.44 -1.24 -0.08 0.00 -1.51 0.00 0.00 72.50 70.11 2dks s THR 47 CO 0.12 0.00 2.38 0.52 -2.21 0.00 0.00 174.62 175.43 2dks n VAL 48 N -0.24 0.04 -3.87 5.08 0.31 -1.26 -4.82 118.33 113.57 2dks n VAL 48 Ca -0.04 -0.60 -0.34 0.00 -0.01 0.00 0.00 64.34 63.35 2dks n VAL 48 Cb 0.60 -2.42 -0.13 0.00 -0.91 0.00 0.00 33.84 30.98 2dks n VAL 48 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2dks s ASP 49 N 10.62 4.94 0.38 4.52 1.01 -1.26 -4.95 116.67 131.93 2dks s ASP 49 Ca 1.03 -2.38 0.07 0.00 0.71 0.00 0.00 52.55 51.98 2dks s ASP 49 Cb -0.38 -1.74 0.78 0.00 1.01 0.00 0.00 42.92 42.59 2dks s ASP 49 CO 0.33 -0.41 1.99 0.00 0.21 0.00 0.00 175.17 177.28 2dks h ALA 50 N 7.47 1.72 0.00 5.23 0.00 -1.97 -0.40 119.26 131.31 2dks h ALA 50 Ca -0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2dks h ALA 50 Cb 1.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2dks h ALA 50 CO 0.64 0.19 -0.32 -0.91 0.00 0.00 0.00 179.25 178.86 2dks h ASN 51 N 0.69 0.00 -0.58 0.00 2.35 -2.00 -2.41 115.58 113.63 2dks h ASN 51 Ca 0.27 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 2dks h ASN 51 Cb 0.19 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 2dks h ASN 51 CO -0.08 0.32 0.12 0.54 -1.65 0.00 0.00 177.43 176.68 2dks n ARG 52 N -3.98 3.85 -1.62 0.81 5.12 -0.23 -4.58 116.66 116.02 2dks n ARG 52 Ca -0.02 -3.08 -0.41 0.00 -1.93 0.00 0.00 57.85 52.41 2dks n ARG 52 Cb 0.38 -2.15 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 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 -2.92 2.87 0.01 5.56 3.52 -0.79 -2.24 118.95 124.98 2dks s ARG 53 Ca 0.52 1.82 -0.27 0.00 -0.13 0.00 0.00 55.73 57.67 2dks s ARG 53 Cb 0.41 -4.42 -0.15 0.00 -1.56 0.00 0.00 34.95 29.24 2dks s ARG 53 CO 0.13 -2.40 1.12 0.82 -0.81 0.00 0.00 175.30 174.16 2dks h ILE 54 N 7.27 0.03 -1.87 4.11 2.04 -1.69 -2.84 117.51 124.56 2dks h ILE 54 Ca -0.36 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 2dks h ILE 54 Cb 1.24 0.05 -0.20 0.00 -0.74 0.00 0.00 36.82 37.16 2dks h ILE 54 CO 1.02 0.00 0.30 -0.51 0.00 0.00 0.00 178.15 178.96 2dks s ILE 55 N -4.70 0.00 0.00 -0.67 2.07 -1.25 -1.84 121.20 114.81 2dks s ILE 55 Ca -0.14 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 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 0.43 0.00 -0.11 -0.83 -1.91 0.00 0.00 174.94 172.52 2dks s GLY 56 N -1.08 0.54 0.00 1.50 0.00 -0.93 -2.17 107.32 105.18 2dks s GLY 56 Ca -0.08 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.16 2dks s GLY 56 CO 0.07 -0.46 -0.11 -0.47 0.00 0.00 0.00 173.10 172.13 2dks s TYR 57 N -0.40 1.00 -0.20 1.90 5.04 -0.13 -0.70 117.35 123.86 2dks s TYR 57 Ca 0.03 -0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2dks s TYR 57 Cb -0.05 -0.64 0.01 0.00 0.35 0.00 0.00 41.96 41.64 2dks s TYR 57 CO -0.00 -0.01 -0.14 0.08 -1.34 0.00 0.00 175.55 174.14 2dks s VAL 58 N -0.38 2.53 0.20 3.14 1.01 0.04 -0.51 120.40 126.42 2dks s VAL 58 Ca 0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2dks s VAL 58 Cb -0.05 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2dks s VAL 58 CO -0.00 0.46 1.51 0.40 0.00 0.00 0.00 175.10 177.47 2dks h ILE 59 N 5.91 1.33 -0.43 2.22 2.04 -1.73 1.91 117.51 128.76 2dks h ILE 59 Ca -0.43 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 63.59 2dks h ILE 59 Cb 1.14 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 2dks h ILE 59 CO 0.62 0.56 0.19 -1.28 0.00 0.00 0.00 178.15 178.24 2dks h SER 60 N 0.39 0.54 -0.02 1.72 0.87 -1.88 -2.84 113.55 112.33 2dks h SER 60 Ca 0.01 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2dks h SER 60 Cb 1.10 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2dks h SER 60 CO 0.10 0.48 0.00 -3.20 -0.53 0.00 0.00 176.83 173.68 2dks n ASN 61 N -4.39 2.14 -3.55 6.23 5.15 -1.16 -4.98 115.26 114.70 2dks n ASN 61 Ca 0.03 -2.19 -0.29 0.00 -0.60 0.00 0.00 54.58 51.54 2dks n ASN 61 Cb 0.13 -0.09 -0.05 0.00 -0.53 0.00 0.00 39.78 39.24 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 -0.59 -0.90 -4.09 1.20 6.02 0.64 -4.86 117.38 114.80 2dks n GLN 62 Ca 0.04 0.09 -0.27 0.00 -0.01 0.00 0.00 57.00 56.85 2dks n GLN 62 Cb 0.33 -3.34 -0.06 0.00 1.02 0.00 0.00 30.24 28.19 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 -5.32 2.83 -0.10 -1.09 0.74 -0.74 -4.90 119.66 111.09 2dks s GLN 63 Ca 0.56 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 55.11 2dks s GLN 63 Cb -0.33 -2.62 0.02 0.00 1.10 0.00 0.00 33.01 31.18 2dks s GLN 63 CO 0.68 0.49 -0.14 0.42 -0.55 0.00 0.00 175.29 176.20 2dks s ILE 64 N -1.69 1.37 -0.33 -2.34 1.01 -1.26 -0.78 121.20 117.18 2dks s ILE 64 Ca 0.30 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.40 2dks s ILE 64 Cb -0.10 -1.27 0.10 0.00 0.01 0.00 0.00 42.46 41.20 2dks s ILE 64 CO 0.22 0.42 0.08 -0.89 0.00 0.00 0.00 174.94 174.77 2dks s THR 65 N 1.01 1.54 0.24 2.92 2.01 0.12 -5.01 115.64 118.48 2dks s THR 65 Ca -0.07 -1.88 -0.30 0.00 0.31 0.00 0.00 61.69 59.75 2dks s THR 65 Cb -0.15 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.13 2dks s THR 65 CO -0.01 -0.65 1.27 -2.16 -0.69 0.00 0.00 174.62 172.38 2dks s PRO 66 N 1.23 4.42 0.00 4.92 0.04 -1.26 -2.19 135.00 142.16 2dks s PRO 66 Ca 0.11 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2dks s PRO 66 Cb -0.18 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2dks s PRO 66 CO -0.16 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2dks n GLY 67 N 1.78 0.75 0.19 0.56 0.00 -0.77 -4.94 105.19 102.76 2dks n GLY 67 Ca 0.03 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.26 1.61 0.13 -1.79 -3.02 132.00 127.66 2dks h PRO 68 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 2dks h PRO 68 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 2dks h PRO 68 CO 0.00 0.36 0.27 0.00 -0.23 0.00 0.00 178.00 178.40 2dks n ALA 69 N -2.35 4.14 -2.51 -0.56 0.00 -1.08 -4.87 120.51 113.27 2dks n ALA 69 Ca -0.01 -1.15 -0.33 0.00 0.00 0.00 0.00 53.44 51.96 2dks n ALA 69 Cb 0.45 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.29 2.76 -0.05 0.00 5.04 -1.14 -4.35 117.35 118.32 2dks s TYR 70 Ca 0.22 -0.12 0.08 0.00 -2.44 0.00 0.00 57.07 54.81 2dks s TYR 70 Cb 0.18 -1.62 0.11 0.00 0.35 0.00 0.00 41.96 40.99 2dks s TYR 70 CO 0.02 0.25 1.06 0.43 -1.34 0.00 0.00 175.55 175.97 2dks n SER 71 N 2.06 0.94 -3.37 4.32 7.64 -1.26 -4.99 113.62 118.95 2dks n SER 71 Ca -0.17 -2.42 -0.21 0.00 1.01 0.00 0.00 58.87 57.07 2dks n SER 71 Cb 0.52 -0.29 0.08 0.00 -1.01 0.00 0.00 64.21 63.51 2dks n SER 71 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dks n ASN 72 N -0.57 -5.46 0.00 6.43 3.02 -1.26 -4.87 115.26 112.54 2dks n ASN 72 Ca 0.06 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 2dks n ASN 72 Cb 0.67 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dks n ARG 73 N -4.59 0.51 -2.58 3.52 1.74 -1.26 -5.07 116.66 108.93 2dks n ARG 73 Ca -0.04 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.67 2dks n ARG 73 Cb 0.57 -0.74 -0.04 0.00 -1.02 0.00 0.00 32.46 31.23 2dks n ARG 73 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dks s GLU 74 N -1.48 4.29 -0.11 5.56 8.01 -1.26 -3.79 118.70 129.93 2dks s GLU 74 Ca 0.00 1.51 -0.03 0.00 0.01 0.00 0.00 54.97 56.47 2dks s GLU 74 Cb 0.00 -2.66 0.04 0.00 -4.31 0.00 0.00 34.13 27.20 2dks s GLU 74 CO 0.00 -0.02 0.04 0.99 0.01 0.00 0.00 175.26 176.27 2dks s THR 75 N -1.60 0.21 1.09 3.63 2.01 -0.89 -4.96 115.64 115.13 2dks s THR 75 Ca 0.55 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 2dks s THR 75 Cb -0.22 -0.56 0.24 0.00 0.01 0.00 0.00 72.50 71.96 2dks s THR 75 CO 0.28 0.03 1.09 -0.63 -0.69 0.00 0.00 174.62 174.71 2dks s ILE 76 N 2.02 1.85 0.07 1.82 1.09 -1.26 -0.70 121.20 126.09 2dks s ILE 76 Ca 0.03 0.00 -0.02 0.00 -1.10 0.00 0.00 60.65 59.56 2dks s ILE 76 Cb -0.14 -2.45 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 2dks s ILE 76 CO -0.06 0.00 0.01 -0.31 -0.10 0.00 0.00 174.94 174.48 2dks s TYR 77 N -2.93 0.55 -2.00 3.97 1.51 0.43 -4.82 117.35 114.06 2dks s TYR 77 Ca 0.67 -1.05 0.11 0.00 -1.01 0.00 0.00 57.07 55.79 2dks s TYR 77 Cb -0.16 -0.37 0.67 0.00 -0.11 0.00 0.00 41.96 41.98 2dks s TYR 77 CO 0.58 -0.42 1.10 -0.35 -1.11 0.00 0.00 175.55 175.35 2dks n PRO 78 N 0.06 0.49 -0.06 -1.71 -0.04 -1.26 -1.86 135.00 130.61 2dks n PRO 78 Ca -0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.38 2dks n PRO 78 Cb 0.62 -1.36 0.08 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.86 2.31 -0.59 3.54 3.02 -1.26 -4.96 115.26 116.46 2dks n ASN 79 Ca 0.08 -2.50 -0.06 0.00 -0.03 0.00 0.00 54.58 52.08 2dks n ASN 79 Cb 0.04 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.81 -0.14 -2.92 5.41 0.00 -0.78 -4.55 120.51 116.73 2dks n ALA 80 Ca 0.08 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 2dks n ALA 80 Cb 0.45 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.83 6.05 -0.09 0.00 0.01 -1.25 -4.71 113.70 110.88 2dks s SER 81 Ca 0.00 -0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 2dks s SER 81 Cb 0.00 -1.71 0.02 0.00 0.21 0.00 0.00 66.02 64.55 2dks s SER 81 CO 0.00 -0.04 -0.05 -0.22 0.41 0.00 0.00 173.24 173.34 2dks s LEU 82 N -3.84 1.01 -0.38 2.44 2.96 -1.14 -0.43 118.68 119.29 2dks s LEU 82 Ca 0.34 -0.20 -0.18 0.00 -0.22 0.00 0.00 54.13 53.86 2dks s LEU 82 Cb -0.09 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 45.96 2dks s LEU 82 CO 0.27 -0.13 0.48 -0.22 -1.32 0.00 0.00 176.35 175.44 2dks s LEU 83 N 1.66 4.55 -0.11 -0.68 2.96 0.12 -1.56 118.68 125.61 2dks s LEU 83 Ca 0.02 -0.31 -0.20 0.00 -0.22 0.00 0.00 54.13 53.42 2dks s LEU 83 Cb -0.13 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2dks s LEU 83 CO -0.06 -0.53 0.57 -0.32 -1.32 0.00 0.00 176.35 174.69 2dks s MET 84 N 2.31 4.35 0.21 1.98 -2.45 0.35 -2.10 119.30 123.95 2dks s MET 84 Ca 0.16 0.60 0.08 0.00 -1.25 0.00 0.00 55.69 55.28 2dks s MET 84 Cb -0.16 -3.46 -0.04 0.00 1.25 0.00 0.00 34.83 32.42 2dks s MET 84 CO 0.14 0.07 -0.00 1.03 1.05 0.00 0.00 175.02 177.31 2dks s ARG 85 N 0.86 2.36 -1.36 4.11 0.52 -1.25 -0.43 118.95 123.76 2dks s ARG 85 Ca 0.30 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 54.19 2dks s ARG 85 Cb -0.16 -2.29 0.01 0.00 0.52 0.00 0.00 34.95 33.03 2dks s ARG 85 CO 0.13 0.42 0.44 0.09 0.02 0.00 0.00 175.30 176.40 2dks n ASN 86 N -0.39 -1.59 -4.49 0.23 3.02 -0.99 -4.90 115.26 106.14 2dks n ASN 86 Ca -0.09 -1.12 -0.29 0.00 -0.03 0.00 0.00 54.58 53.05 2dks n ASN 86 Cb 0.56 -2.54 0.25 0.00 -0.61 0.00 0.00 39.78 37.44 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 -3.89 2.00 0.10 2.41 -7.23 -0.44 -4.46 120.40 108.89 2dks s VAL 87 Ca 0.17 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.13 2dks s VAL 87 Cb -0.08 -2.00 0.06 0.00 0.56 0.00 0.00 36.38 34.91 2dks s VAL 87 CO 0.92 -0.00 0.53 0.42 -0.31 0.00 0.00 175.10 176.66 2dks s THR 88 N -2.43 0.03 0.46 5.32 -4.23 -1.26 -1.17 115.64 112.35 2dks s THR 88 Ca 0.69 -0.22 0.25 0.00 -1.18 0.00 0.00 61.69 61.23 2dks s THR 88 Cb -0.25 -1.03 0.45 0.00 1.34 0.00 0.00 72.50 73.00 2dks s THR 88 CO 0.64 -0.12 1.81 0.03 -0.54 0.00 0.00 174.62 176.44 2dks h ARG 89 N 2.40 0.22 -0.20 3.99 3.08 -1.97 0.82 114.38 122.72 2dks h ARG 89 Ca -0.33 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 2dks h ARG 89 Cb 1.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2dks h ARG 89 CO 0.41 0.15 0.01 -0.91 -1.07 0.00 0.00 179.97 178.56 2dks h ASN 90 N 0.23 0.34 -0.96 7.04 2.35 -1.95 -2.99 115.58 119.64 2dks h ASN 90 Ca 0.55 -0.29 0.29 0.00 -0.55 0.00 0.00 56.30 56.30 2dks h ASN 90 Cb 1.71 -0.09 -0.15 0.00 0.05 0.00 0.00 38.32 39.84 2dks h ASN 90 CO -0.16 0.54 0.42 0.44 -1.65 0.00 0.00 177.43 177.02 2dks h ASP 91 N 0.12 0.26 -0.75 5.81 5.19 -1.23 -3.40 116.42 122.42 2dks h ASP 91 Ca 0.06 0.20 -0.82 0.00 -0.62 0.00 0.00 57.03 55.85 2dks h ASP 91 Cb 0.36 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2dks h ASP 91 CO 0.01 -0.18 0.95 0.41 -3.12 0.00 0.00 179.24 177.31 2dks n THR 92 N -5.15 0.04 0.00 0.35 -1.04 -1.13 -4.64 114.28 102.71 2dks n THR 92 Ca 0.28 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2dks n THR 92 Cb 0.89 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 5.25 -0.55 3.16 3.41 0.00 -1.26 -5.06 105.19 110.13 2dks n GLY 93 Ca 0.39 0.30 -0.22 0.00 0.00 0.00 0.00 46.02 46.49 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 1.84 -0.19 1.61 1.04 -1.26 -4.51 113.70 108.23 2dks s SER 94 Ca 0.00 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2dks s SER 94 Cb 0.00 -0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.04 2dks s SER 94 CO 0.00 0.10 0.09 -0.31 0.98 0.00 0.00 173.24 174.10 2dks s TYR 95 N -0.70 0.32 -0.11 5.02 1.51 -1.20 -1.43 117.35 120.76 2dks s TYR 95 Ca 0.04 -0.46 -0.16 0.00 -1.01 0.00 0.00 57.07 55.49 2dks s TYR 95 Cb -0.07 -0.77 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 2dks s TYR 95 CO 0.01 -0.56 0.38 0.99 -1.11 0.00 0.00 175.55 175.26 2dks s THR 96 N 2.10 5.21 -0.20 -0.71 2.01 -0.87 -0.90 115.64 122.29 2dks s THR 96 Ca 0.03 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.79 2dks s THR 96 Cb -0.16 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.67 2dks s THR 96 CO -0.12 0.40 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.83 2dks s LEU 97 N 0.22 2.38 -0.17 4.42 1.98 -0.77 0.14 118.68 126.87 2dks s LEU 97 Ca 0.21 -0.82 -0.05 0.00 -2.89 0.00 0.00 54.13 50.58 2dks s LEU 97 Cb -0.14 -1.42 -0.03 0.00 0.66 0.00 0.00 46.19 45.26 2dks s LEU 97 CO 0.08 -0.07 0.01 -1.58 -1.89 0.00 0.00 176.35 172.90 2dks s GLN 98 N 1.29 3.77 -0.19 1.98 0.74 0.35 -2.97 119.66 124.63 2dks s GLN 98 Ca 0.01 -0.46 -0.02 0.00 0.05 0.00 0.00 55.36 54.94 2dks s GLN 98 Cb -0.15 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 2dks s GLN 98 CO -0.10 0.20 -0.08 0.54 -0.55 0.00 0.00 175.29 175.30 2dks s VAL 99 N 0.51 3.16 0.26 1.34 0.11 -1.15 -1.45 120.40 123.18 2dks s VAL 99 Ca -0.00 -0.58 -0.24 0.00 -2.93 0.00 0.00 61.98 58.23 2dks s VAL 99 Cb -0.14 -2.40 -0.09 0.00 -1.53 0.00 0.00 36.38 32.22 2dks s VAL 99 CO 0.02 0.46 0.85 -0.63 -3.33 0.00 0.00 175.10 172.47 2dks s ILE 100 N 1.17 4.34 -0.02 7.04 1.09 -0.32 -1.42 121.20 133.09 2dks s ILE 100 Ca 0.02 1.64 0.03 0.00 -1.10 0.00 0.00 60.65 61.24 2dks s ILE 100 Cb -0.14 -4.00 -0.03 0.00 -1.06 0.00 0.00 42.46 37.23 2dks s ILE 100 CO -0.02 0.24 -0.07 -0.54 -0.10 0.00 0.00 174.94 174.44 2dks s LYS 101 N -1.86 2.60 0.66 2.79 1.02 0.80 0.22 119.74 125.98 2dks s LYS 101 Ca 0.45 -0.67 0.16 0.00 0.02 0.00 0.00 55.97 55.93 2dks s LYS 101 Cb -0.19 -2.52 0.89 0.00 -0.52 0.00 0.00 37.83 35.49 2dks s LYS 101 CO 0.24 0.62 1.50 -0.07 -0.92 0.00 0.00 175.35 176.72 2dks h LEU 102 N 4.76 0.00 -2.45 3.17 -0.00 -1.68 0.32 115.31 119.42 2dks h LEU 102 Ca -0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.28 2dks h LEU 102 Cb 1.17 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.76 2dks h LEU 102 CO 0.53 0.00 0.15 -3.20 -0.00 0.00 0.00 178.44 175.92 2dks n ASN 103 N -2.71 3.15 -3.65 -0.43 5.15 -1.26 -4.80 115.26 110.71 2dks n ASN 103 Ca -0.01 -2.38 -0.28 0.00 -0.60 0.00 0.00 54.58 51.32 2dks n ASN 103 Cb 0.66 -0.58 0.02 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.11 -2.20 -4.75 1.20 4.77 0.11 -4.96 117.00 111.27 2dks n LEU 104 Ca 0.14 -0.61 -0.33 0.00 -0.03 0.00 0.00 56.01 55.18 2dks n LEU 104 Cb 0.77 -2.45 -0.07 0.00 -2.33 0.00 0.00 43.42 39.34 2dks n LEU 104 CO 0.14 0.33 -0.24 -0.04 -1.33 0.00 0.00 177.39 176.26 2dks s MET 105 N -6.34 2.20 -0.28 3.23 -1.94 -0.99 -4.94 119.30 110.25 2dks s MET 105 Ca 0.55 -2.43 -0.18 0.00 -1.71 0.00 0.00 55.69 51.92 2dks s MET 105 Cb -0.28 -1.39 0.10 0.00 2.01 0.00 0.00 34.83 35.28 2dks s MET 105 CO 0.67 -0.43 0.80 -1.12 -0.01 0.00 0.00 175.02 174.94 2dks s SER 106 N -3.87 -0.75 0.38 3.03 0.01 -1.26 -0.14 113.70 111.09 2dks s SER 106 Ca 0.03 1.26 0.07 0.00 1.31 0.00 0.00 55.95 58.63 2dks s SER 106 Cb 0.00 1.30 -0.00 0.00 0.21 0.00 0.00 66.02 67.53 2dks s SER 106 CO 0.02 -0.20 0.50 -1.61 0.41 0.00 0.00 173.24 172.36 2dks s GLU 107 N 1.21 2.94 -0.01 12.44 0.41 -0.50 -4.92 118.70 130.27 2dks s GLU 107 Ca -0.07 -1.15 0.03 0.00 -0.41 0.00 0.00 54.97 53.37 2dks s GLU 107 Cb -0.05 -2.76 -0.01 0.00 -1.78 0.00 0.00 34.13 29.54 2dks s GLU 107 CO -0.14 -0.10 -0.10 -1.21 -0.49 0.00 0.00 175.26 173.22 2dks s GLU 108 N -4.25 0.86 -0.25 1.61 2.02 -1.26 -2.93 118.70 114.51 2dks s GLU 108 Ca 0.50 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 55.07 2dks s GLU 108 Cb -0.09 -0.83 0.12 0.00 0.10 0.00 0.00 34.13 33.43 2dks s GLU 108 CO 0.32 0.19 0.50 0.54 0.02 0.00 0.00 175.26 176.83 2dks s VAL 109 N -0.13 -0.78 -0.64 2.63 0.11 -1.16 -4.73 120.40 115.69 2dks s VAL 109 Ca 0.02 0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.89 2dks s VAL 109 Cb -0.05 -0.83 0.06 0.00 -1.53 0.00 0.00 36.38 34.03 2dks s VAL 109 CO -0.00 0.01 1.01 -0.89 -3.33 0.00 0.00 175.10 171.90 2dks s THR 110 N 2.71 4.24 -0.24 5.04 2.01 -1.26 -1.85 115.64 126.29 2dks s THR 110 Ca 0.03 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2dks s THR 110 Cb -0.13 -4.68 0.05 0.00 0.01 0.00 0.00 72.50 67.75 2dks s THR 110 CO -0.16 -1.42 -0.10 -0.83 -0.69 0.00 0.00 174.62 171.41 2dks s GLY 111 N 3.44 1.50 0.42 4.40 0.00 -0.07 -4.78 107.32 112.23 2dks s GLY 111 Ca 0.27 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.48 2dks s GLY 111 CO 0.14 0.67 0.15 0.61 0.00 0.00 0.00 173.10 174.66 2dks n GLN 112 N 4.54 0.58 -3.49 2.90 0.00 -1.26 -3.97 117.38 116.68 2dks n GLN 112 Ca -0.14 -3.52 -0.12 0.00 0.00 0.00 0.00 57.00 53.21 2dks n GLN 112 Cb 0.44 1.89 -0.04 0.00 0.00 0.00 0.00 30.24 32.53 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 -0.94 -0.99 -4.39 2.61 -1.74 -1.26 -4.51 117.46 106.23 2dks n PHE 113 Ca -0.06 -1.89 -0.21 0.00 -0.56 0.00 0.00 57.45 54.73 2dks n PHE 113 Cb 0.62 0.35 -0.13 0.00 1.52 0.00 0.00 39.48 41.84 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 -2.68 1.79 -0.01 5.98 0.01 -1.21 -4.03 113.70 113.55 2dks s SER 114 Ca 0.25 -0.47 0.08 0.00 1.31 0.00 0.00 55.95 57.12 2dks s SER 114 Cb 0.00 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 2dks s SER 114 CO 0.18 0.05 -0.25 -0.69 0.41 0.00 0.00 173.24 172.94 2dks s VAL 115 N -0.85 2.13 -0.03 3.43 1.01 -1.26 -2.57 120.40 122.26 2dks s VAL 115 Ca 0.02 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.90 2dks s VAL 115 Cb -0.08 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.57 2dks s VAL 115 CO 0.01 0.56 -0.02 -1.38 0.00 0.00 0.00 175.10 174.27 2dks s HIS 116 N -0.64 0.44 0.53 5.22 -3.43 0.47 -4.73 115.29 113.14 2dks s HIS 116 Ca 0.10 -0.07 -0.20 0.00 -0.80 0.00 0.00 55.06 54.09 2dks s HIS 116 Cb -0.10 -0.46 -0.06 0.00 -1.43 0.00 0.00 32.58 30.53 2dks s HIS 116 CO -0.01 -0.13 1.14 -1.25 -2.00 0.00 0.00 174.74 172.49 2dks s PRO 117 N 0.83 3.44 -0.84 -0.38 0.04 -1.26 -3.85 135.00 132.98 2dks s PRO 117 Ca -0.09 1.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 2dks s PRO 117 Cb -0.12 -2.09 -0.18 0.00 0.04 0.00 0.00 34.50 32.15 2dks s PRO 117 CO -0.01 -0.79 2.29 0.39 0.04 0.00 0.00 177.00 178.93 2dks n GLU 118 N -1.13 0.40 -3.43 4.56 -0.58 -1.26 -4.81 120.64 114.39 2dks n GLU 118 Ca 0.11 -0.84 -0.15 0.00 -0.42 0.00 0.00 57.16 55.86 2dks n GLU 118 Cb 0.50 -3.29 -0.11 0.00 -0.57 0.00 0.00 31.44 27.98 2dks n GLU 118 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2dks s THR 119 N 12.82 -0.44 0.58 2.62 -4.23 -1.26 -5.15 115.64 120.57 2dks s THR 119 Ca 0.94 -0.15 -0.18 0.00 -1.18 0.00 0.00 61.69 61.11 2dks s THR 119 Cb -0.21 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 2dks s THR 119 CO 0.16 -0.21 1.12 -2.16 -0.54 0.00 0.00 174.62 172.99 2dks s PRO 120 N 2.41 3.20 0.02 3.99 0.04 -1.26 -5.06 135.00 138.33 2dks s PRO 120 Ca 0.09 1.55 0.07 0.00 0.04 0.00 0.00 61.00 62.75 2dks s PRO 120 Cb -0.15 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2dks s PRO 120 CO -0.16 -0.96 -0.22 0.15 0.04 0.00 0.00 177.00 175.85 2dks s LYS 121 N -3.51 1.60 0.02 4.56 1.02 -1.26 -5.05 119.74 117.12 2dks s LYS 121 Ca 0.71 -0.88 -0.22 0.00 0.02 0.00 0.00 55.97 55.60 2dks s LYS 121 Cb -0.23 -1.65 -0.16 0.00 -0.52 0.00 0.00 37.83 35.27 2dks s LYS 121 CO 0.31 0.44 1.32 -1.00 -0.92 0.00 0.00 175.35 175.50 2dks h PRO 122 N 5.20 0.25 -5.99 -1.68 0.13 -1.98 -3.43 132.00 124.50 2dks h PRO 122 Ca -0.42 -0.13 -0.57 0.00 -0.87 0.00 0.00 66.00 64.01 2dks h PRO 122 Cb 1.15 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 2dks h PRO 122 CO 0.46 0.66 0.39 0.45 -0.23 0.00 0.00 178.00 179.73 2dks s SER 123 N -5.99 6.99 0.18 1.44 0.15 -1.26 -4.91 113.70 110.30 2dks s SER 123 Ca -0.15 1.22 0.11 0.00 0.70 0.00 0.00 55.95 57.83 2dks s SER 123 Cb 0.04 -2.46 0.60 0.00 -1.71 0.00 0.00 66.02 62.48 2dks s SER 123 CO 0.73 -0.39 1.31 0.00 1.20 0.00 0.00 173.24 176.09 2dks n ILE 124 N 4.65 1.37 -3.33 6.45 3.06 -1.26 -4.27 119.36 126.03 2dks n ILE 124 Ca 0.05 0.63 -0.43 0.00 -2.50 0.00 0.00 62.75 60.49 2dks n ILE 124 Cb 0.49 -1.63 -0.08 0.00 0.54 0.00 0.00 39.64 38.95 2dks n ILE 124 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2dks s SER 125 N -3.47 6.18 0.01 9.51 1.04 -1.26 -5.06 113.70 120.65 2dks s SER 125 Ca -0.01 -0.85 -0.16 0.00 0.48 0.00 0.00 55.95 55.41 2dks s SER 125 Cb 0.03 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 63.88 2dks s SER 125 CO 0.10 -0.62 0.44 -0.83 0.98 0.00 0.00 173.24 173.31 2dks s GLY 126 N 2.05 2.51 -0.03 7.32 0.00 -1.26 -5.04 107.32 112.87 2dks s GLY 126 Ca 0.10 -0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.35 2dks s GLY 126 CO 0.12 0.22 1.47 2.56 0.00 0.00 0.00 173.10 177.47 2dks s PRO 127 N -1.04 4.24 0.34 2.90 0.04 -1.26 -4.98 135.00 135.24 2dks s PRO 127 Ca 0.25 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.17 2dks s PRO 127 Cb -0.17 -3.72 0.03 0.00 0.04 0.00 0.00 34.50 30.68 2dks s PRO 127 CO 0.14 -0.68 0.66 -1.54 0.04 0.00 0.00 177.00 175.62 2dks s SER 128 N 2.34 0.16 0.22 6.66 1.04 -1.26 -5.19 113.70 117.67 2dks s SER 128 Ca 0.66 -1.10 -0.00 0.00 0.48 0.00 0.00 55.95 55.99 2dks s SER 128 Cb -0.31 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 2dks s SER 128 CO 0.26 -1.46 0.11 -0.44 0.98 0.00 0.00 173.24 172.69 2dks s SER 129 N -3.08 0.55 0.00 7.02 0.01 -1.26 -5.32 113.70 111.62 2dks s SER 129 Ca 0.19 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2dks s SER 129 Cb -0.04 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2dks s SER 129 CO 0.12 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.59