#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2okd n SER 8 N 0.00 1.42 -4.76 6.41 3.41 -1.26 -5.08 113.62 113.76 2okd n SER 8 Ca 0.00 -2.04 -0.39 0.00 -0.26 0.00 0.00 58.87 56.18 2okd n SER 8 Cb 0.00 -0.31 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2okd n SER 8 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2okd s PRO 9 N -3.85 3.51 -0.25 4.33 0.02 -1.26 -5.00 135.00 132.50 2okd s PRO 9 Ca 0.42 2.18 -0.19 0.00 0.02 0.00 0.00 61.00 63.43 2okd s PRO 9 Cb -0.03 -2.46 -0.02 0.00 0.02 0.00 0.00 34.50 32.01 2okd s PRO 9 CO 0.27 -0.87 0.57 0.08 -0.33 0.00 0.00 177.00 176.72 2okd s VAL 10 N -1.32 5.03 0.01 3.83 1.01 -1.26 -5.06 120.40 122.65 2okd s VAL 10 Ca 0.65 1.02 -0.25 0.00 0.00 0.00 0.00 61.98 63.40 2okd s VAL 10 Cb -0.39 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2okd s VAL 10 CO 0.47 0.07 0.77 -0.13 0.00 0.00 0.00 175.10 176.29 2okd s ARG 11 N 2.29 4.49 0.07 2.72 0.52 -1.26 -4.98 118.95 122.79 2okd s ARG 11 Ca 0.24 1.06 0.06 0.00 -0.52 0.00 0.00 55.73 56.57 2okd s ARG 11 Cb -0.16 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 2okd s ARG 11 CO 0.09 0.18 -0.17 -0.59 0.02 0.00 0.00 175.30 174.84 2okd s PHE 12 N 0.31 1.43 -0.10 -0.53 -0.71 -1.26 -1.50 117.98 115.61 2okd s PHE 12 Ca 0.40 -0.41 0.01 0.00 -1.04 0.00 0.00 56.93 55.89 2okd s PHE 12 Cb -0.20 -0.82 -0.02 0.00 -1.21 0.00 0.00 43.02 40.78 2okd s PHE 12 CO 0.22 0.09 -0.14 0.08 -1.34 0.00 0.00 175.22 174.14 2okd s VAL 13 N -1.06 3.04 -0.34 -2.49 1.01 0.31 -4.97 120.40 115.90 2okd s VAL 13 Ca 0.02 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 2okd s VAL 13 Cb -0.09 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2okd s VAL 13 CO 0.02 0.55 0.85 -0.54 0.00 0.00 0.00 175.10 175.98 2okd s LYS 14 N 0.01 3.88 0.22 2.72 1.02 -1.26 -0.98 119.74 125.35 2okd s LYS 14 Ca -0.04 0.55 -0.02 0.00 0.02 0.00 0.00 55.97 56.48 2okd s LYS 14 Cb -0.14 -3.77 0.20 0.00 -0.52 0.00 0.00 37.83 33.59 2okd s LYS 14 CO 0.04 -0.82 1.59 0.93 -0.92 0.00 0.00 175.35 176.17 2okd h GLU 15 N 8.31 0.62 -4.90 1.68 4.39 -0.18 -3.46 114.58 121.03 2okd h GLU 15 Ca -0.24 -0.30 -0.44 0.00 0.34 0.00 0.00 59.36 58.72 2okd h GLU 15 Cb 1.09 -0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.60 2okd h GLU 15 CO 0.93 0.89 -0.54 0.95 -1.16 0.00 0.00 179.01 180.08 2okd s THR 16 N -4.31 0.29 -1.13 1.13 -4.23 -1.26 -5.03 115.64 101.10 2okd s THR 16 Ca -0.08 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.57 2okd s THR 16 Cb 0.12 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.64 2okd s THR 16 CO 0.83 0.00 1.43 -0.46 -0.54 0.00 0.00 174.62 175.88 2okd n ASN 17 N -1.09 0.00 0.09 3.99 6.94 -1.26 -3.09 115.26 120.84 2okd n ASN 17 Ca 0.01 0.37 0.01 0.00 -0.02 0.00 0.00 54.58 54.96 2okd n ASN 17 Cb 0.64 -0.43 -0.02 0.00 -2.36 0.00 0.00 39.78 37.61 2okd n ASN 17 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2okd h ARG 18 N 0.00 0.00 -6.95 -3.83 3.08 -1.95 -3.46 114.38 101.27 2okd h ARG 18 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2okd h ARG 18 Cb 0.21 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.35 2okd h ARG 18 CO 0.00 0.43 0.65 0.00 -1.07 0.00 0.00 179.97 179.98 2okd s ALA 19 N -2.94 3.31 -0.08 0.04 0.00 -1.18 -4.69 121.76 116.22 2okd s ALA 19 Ca 0.01 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2okd s ALA 19 Cb 0.08 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2okd s ALA 19 CO 0.77 -0.90 -0.09 0.15 0.00 0.00 0.00 175.76 175.70 2okd s LYS 20 N -2.22 2.90 0.17 0.00 1.02 -1.26 -5.02 119.74 115.34 2okd s LYS 20 Ca 0.56 -0.59 -0.32 0.00 0.02 0.00 0.00 55.97 55.64 2okd s LYS 20 Cb -0.40 -2.59 -0.12 0.00 -0.52 0.00 0.00 37.83 34.20 2okd s LYS 20 CO 0.52 0.55 1.74 0.43 -0.92 0.00 0.00 175.35 177.67 2okd n SER 21 N 2.57 3.90 -4.78 2.83 7.64 -1.26 -4.78 113.62 119.75 2okd n SER 21 Ca -0.18 1.04 -0.41 0.00 1.01 0.00 0.00 58.87 60.34 2okd n SER 21 Cb 0.53 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2okd n SER 21 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2okd s PRO 22 N 1.63 4.07 0.05 1.43 0.02 -1.26 -4.98 135.00 135.94 2okd s PRO 22 Ca 0.78 2.54 0.02 0.00 0.02 0.00 0.00 61.00 64.36 2okd s PRO 22 Cb -0.52 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 2okd s PRO 22 CO 0.35 -0.56 -0.07 0.95 -0.33 0.00 0.00 177.00 177.34 2okd s THR 23 N -1.13 0.50 -0.19 0.99 -4.23 -1.22 -4.84 115.64 105.52 2okd s THR 23 Ca 0.54 -1.17 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 2okd s THR 23 Cb -0.46 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 2okd s THR 23 CO 0.62 -0.47 0.31 -0.13 -0.54 0.00 0.00 174.62 174.41 2okd s ARG 24 N -1.88 4.20 0.19 3.99 0.52 -1.26 0.27 118.95 124.98 2okd s ARG 24 Ca -0.08 0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.07 2okd s ARG 24 Cb -0.08 -3.48 0.20 0.00 0.52 0.00 0.00 34.95 32.10 2okd s ARG 24 CO -0.01 0.11 1.70 1.96 0.02 0.00 0.00 175.30 179.09 2okd h GLN 25 N 7.06 0.18 -3.99 3.54 4.20 -1.95 -3.45 115.11 120.70 2okd h GLN 25 Ca -0.39 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.19 2okd h GLN 25 Cb 1.16 -0.04 -0.16 0.00 0.30 0.00 0.00 27.48 28.74 2okd h GLN 25 CO 0.73 0.12 -0.58 -1.54 -0.67 0.00 0.00 178.83 176.89 2okd s SER 26 N -5.28 0.29 0.46 1.46 1.04 -1.26 -5.03 113.70 105.38 2okd s SER 26 Ca -0.13 -0.72 0.25 0.00 0.48 0.00 0.00 55.95 55.82 2okd s SER 26 Cb 0.16 0.22 1.36 0.00 0.10 0.00 0.00 66.02 67.86 2okd s SER 26 CO 0.73 -0.55 1.74 1.55 0.98 0.00 0.00 173.24 177.68 2okd h PRO 27 N 3.44 0.00 -0.36 4.02 0.13 -2.03 -1.28 132.00 135.92 2okd h PRO 27 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2okd h PRO 27 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2okd h PRO 27 CO 0.56 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 2okd n GLY 28 N -1.24 2.78 3.77 1.56 0.00 -1.26 -5.02 105.19 105.78 2okd n GLY 28 Ca -0.02 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 2okd n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2okd s ALA 29 N -1.02 3.10 0.13 4.61 0.00 -0.49 -4.96 121.76 123.13 2okd s ALA 29 Ca 0.24 1.04 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 2okd s ALA 29 Cb 0.13 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2okd s ALA 29 CO 0.16 -0.69 1.50 0.00 0.00 0.00 0.00 175.76 176.73 2okd h ALA 30 N 2.39 0.54 -2.54 0.00 0.00 -1.95 -3.48 119.26 114.22 2okd h ALA 30 Ca -0.49 -0.36 -0.44 0.00 0.00 0.00 0.00 54.91 53.62 2okd h ALA 30 Cb 1.25 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2okd h ALA 30 CO 0.61 0.48 -0.53 0.20 0.00 0.00 0.00 179.25 180.02 2okd s GLY 31 N -3.59 2.20 -0.24 0.00 0.00 -1.26 -4.65 107.32 99.78 2okd s GLY 31 Ca -0.12 -1.82 -0.10 0.00 0.00 0.00 0.00 44.72 42.68 2okd s GLY 31 CO 0.83 -1.55 0.15 -0.19 0.00 0.00 0.00 173.10 172.35 2okd s TYR 32 N -3.54 3.30 0.11 1.90 1.51 0.13 -4.48 117.35 116.28 2okd s TYR 32 Ca 0.37 0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 56.32 2okd s TYR 32 Cb 0.04 -2.26 -0.07 0.00 -0.11 0.00 0.00 41.96 39.56 2okd s TYR 32 CO 0.21 0.06 1.20 -0.51 -1.11 0.00 0.00 175.55 175.40 2okd s ASP 33 N 1.04 7.08 0.03 2.29 1.01 0.14 -0.20 116.67 128.07 2okd s ASP 33 Ca 0.07 2.10 0.01 0.00 0.71 0.00 0.00 52.55 55.45 2okd s ASP 33 Cb -0.13 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 2okd s ASP 33 CO 0.04 -0.43 0.07 -0.76 0.21 0.00 0.00 175.17 174.29 2okd s LEU 34 N 0.59 3.79 0.01 1.23 1.43 -0.44 -3.39 118.68 121.89 2okd s LEU 34 Ca 0.57 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.77 2okd s LEU 34 Cb -0.31 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2okd s LEU 34 CO 0.32 0.23 -0.15 -0.31 0.23 0.00 0.00 176.35 176.67 2okd s TYR 35 N -1.26 1.33 0.08 0.29 2.02 -1.26 -0.87 117.35 117.68 2okd s TYR 35 Ca 0.25 -0.29 -0.31 0.00 -0.37 0.00 0.00 57.07 56.35 2okd s TYR 35 Cb -0.12 -0.83 -0.07 0.00 -0.40 0.00 0.00 41.96 40.53 2okd s TYR 35 CO 0.17 0.00 1.42 0.45 -1.57 0.00 0.00 175.55 176.02 2okd s SER 36 N -0.63 6.81 0.00 2.29 0.15 -0.45 -4.37 113.70 117.49 2okd s SER 36 Ca 0.05 2.29 0.26 0.00 0.70 0.00 0.00 55.95 59.25 2okd s SER 36 Cb -0.07 -2.58 0.77 0.00 -1.71 0.00 0.00 66.02 62.44 2okd s SER 36 CO 0.00 -0.69 1.58 0.00 1.20 0.00 0.00 173.24 175.33 2okd n ALA 37 N 4.45 3.15 -2.28 5.45 0.00 0.07 -0.47 120.51 130.89 2okd n ALA 37 Ca 0.12 -0.34 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 2okd n ALA 37 Cb 0.42 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 2okd n ALA 37 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2okd s TYR 38 N -2.71 1.57 -0.21 0.00 2.02 -1.26 -4.85 117.35 111.91 2okd s TYR 38 Ca 0.20 -1.52 -0.07 0.00 -0.37 0.00 0.00 57.07 55.31 2okd s TYR 38 Cb 0.19 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2okd s TYR 38 CO 0.58 -0.72 0.04 -0.51 -1.57 0.00 0.00 175.55 173.37 2okd s ASP 39 N -3.33 5.22 0.11 2.29 1.01 -1.26 -3.26 116.67 117.44 2okd s ASP 39 Ca 0.39 -0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.59 2okd s ASP 39 Cb 0.04 -1.91 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 2okd s ASP 39 CO 0.21 0.08 -0.11 -0.31 0.21 0.00 0.00 175.17 175.24 2okd s TYR 40 N 0.95 1.18 -0.15 4.23 1.51 0.12 -5.00 117.35 120.19 2okd s TYR 40 Ca 0.03 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 2okd s TYR 40 Cb -0.14 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.10 2okd s TYR 40 CO 0.02 0.05 -0.13 0.99 -1.11 0.00 0.00 175.55 175.38 2okd s THR 41 N -2.37 1.47 -0.29 -0.71 2.01 -1.26 -0.40 115.64 114.09 2okd s THR 41 Ca 0.07 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 2okd s THR 41 Cb -0.03 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 71.10 2okd s THR 41 CO 0.01 0.42 0.01 -0.63 -0.69 0.00 0.00 174.62 173.74 2okd s ILE 42 N 1.52 3.23 0.65 1.82 1.01 -0.22 -5.00 121.20 124.21 2okd s ILE 42 Ca 0.04 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 2okd s ILE 42 Cb -0.13 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 2okd s ILE 42 CO -0.10 0.01 1.07 -2.84 0.00 0.00 0.00 174.94 173.07 2okd s PRO 43 N 1.34 3.04 0.29 2.79 0.02 -1.26 -0.50 135.00 140.72 2okd s PRO 43 Ca -0.02 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 61.88 2okd s PRO 43 Cb -0.18 -2.00 -0.13 0.00 0.02 0.00 0.00 34.50 32.21 2okd s PRO 43 CO -0.01 -1.03 1.38 -0.35 -0.33 0.00 0.00 177.00 176.66 2okd n PRO 44 N -2.50 2.15 -1.00 5.54 -0.04 -1.26 -2.20 135.00 135.69 2okd n PRO 44 Ca 0.09 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 2okd n PRO 44 Cb 0.53 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2okd n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2okd n GLY 45 N 1.55 0.62 3.54 0.55 0.00 -0.25 -5.04 105.19 106.15 2okd n GLY 45 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2okd n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2okd s GLU 46 N -0.00 1.92 0.19 1.61 0.41 -0.94 -5.00 118.70 116.90 2okd s GLU 46 Ca 0.00 -1.60 0.11 0.00 -0.41 0.00 0.00 54.97 53.07 2okd s GLU 46 Cb 0.00 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.37 2okd s GLU 46 CO 0.00 0.35 -0.22 -0.98 -0.49 0.00 0.00 175.26 173.92 2okd s ARG 47 N -3.49 1.48 -0.06 1.61 1.70 -1.26 -1.43 118.95 117.50 2okd s ARG 47 Ca 0.30 -1.52 -0.02 0.00 -0.47 0.00 0.00 55.73 54.02 2okd s ARG 47 Cb -0.06 -1.73 0.04 0.00 -0.57 0.00 0.00 34.95 32.63 2okd s ARG 47 CO 0.17 0.37 0.12 -1.14 -1.08 0.00 0.00 175.30 173.73 2okd s GLN 48 N -2.76 0.05 -0.35 3.89 2.00 -0.54 -4.99 119.66 116.97 2okd s GLN 48 Ca 0.20 0.37 -0.29 0.00 -2.00 0.00 0.00 55.36 53.64 2okd s GLN 48 Cb -0.07 -0.22 0.00 0.00 0.80 0.00 0.00 33.01 33.52 2okd s GLN 48 CO 0.09 -0.19 1.44 -1.17 -0.50 0.00 0.00 175.29 174.96 2okd s LEU 49 N 1.36 3.70 -0.06 3.68 2.96 -1.26 -1.40 118.68 127.66 2okd s LEU 49 Ca -0.07 1.07 -0.16 0.00 -0.22 0.00 0.00 54.13 54.75 2okd s LEU 49 Cb -0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2okd s LEU 49 CO -0.05 -1.34 0.43 -0.63 -1.32 0.00 0.00 176.35 173.44 2okd s ILE 50 N 5.24 5.10 -0.11 6.68 -1.09 0.27 -4.88 121.20 132.40 2okd s ILE 50 Ca 0.63 0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 59.81 2okd s ILE 50 Cb -0.17 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 2okd s ILE 50 CO 0.30 0.46 0.24 -0.54 -1.23 0.00 0.00 174.94 174.17 2okd s LYS 51 N -0.29 3.86 -0.09 2.79 1.02 -1.26 -0.27 119.74 125.50 2okd s LYS 51 Ca 0.24 0.05 0.16 0.00 0.02 0.00 0.00 55.97 56.44 2okd s LYS 51 Cb -0.16 -3.29 -0.23 0.00 -0.52 0.00 0.00 37.83 33.63 2okd s LYS 51 CO 0.12 0.56 0.44 0.25 -0.92 0.00 0.00 175.35 175.79 2okd n THR 52 N 2.55 1.32 -1.44 2.17 -2.24 -0.85 -0.75 114.28 115.04 2okd n THR 52 Ca -0.16 -0.78 -0.15 0.00 -2.27 0.00 0.00 64.05 60.69 2okd n THR 52 Cb 0.53 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 2okd n THR 52 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2okd n ASP 53 N -2.83 -5.02 -4.68 3.42 9.92 -1.26 -4.29 116.55 111.80 2okd n ASP 53 Ca -0.21 0.37 -0.35 0.00 -0.53 0.00 0.00 54.79 54.07 2okd n ASP 53 Cb 1.02 -3.86 -0.09 0.00 -0.64 0.00 0.00 41.12 37.55 2okd n ASP 53 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2okd s ILE 54 N -2.50 4.70 -0.01 0.53 -1.09 -1.26 0.63 121.20 122.20 2okd s ILE 54 Ca 0.00 -0.08 0.06 0.00 -2.23 0.00 0.00 60.65 58.40 2okd s ILE 54 Cb 0.00 -3.06 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 2okd s ILE 54 CO 0.00 0.54 -0.19 -0.94 -1.23 0.00 0.00 174.94 173.12 2okd s SER 55 N -0.28 2.19 0.04 3.58 1.04 -0.15 0.19 113.70 120.30 2okd s SER 55 Ca 0.08 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.17 2okd s SER 55 Cb -0.12 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 2okd s SER 55 CO 0.02 0.22 -0.08 0.00 0.98 0.00 0.00 173.24 174.38 2okd s MET 56 N -0.53 0.52 -0.50 4.02 0.23 -1.26 0.11 119.30 121.89 2okd s MET 56 Ca 0.07 -0.74 -0.22 0.00 -1.03 0.00 0.00 55.69 53.77 2okd s MET 56 Cb -0.07 -0.28 0.04 0.00 -1.53 0.00 0.00 34.83 32.99 2okd s MET 56 CO -0.00 0.05 0.78 -1.54 -2.03 0.00 0.00 175.02 172.28 2okd s SER 57 N -1.55 6.33 0.44 -1.18 1.04 -0.56 -4.61 113.70 113.61 2okd s SER 57 Ca -0.10 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 55.68 2okd s SER 57 Cb -0.10 -2.37 -0.08 0.00 0.10 0.00 0.00 66.02 63.57 2okd s SER 57 CO 0.00 -1.01 1.07 -0.04 0.98 0.00 0.00 173.24 174.25 2okd s MET 58 N 3.31 3.94 0.88 4.02 1.00 -1.26 -4.17 119.30 127.02 2okd s MET 58 Ca 0.25 1.52 -0.11 0.00 0.00 0.00 0.00 55.69 57.35 2okd s MET 58 Cb -0.14 -2.36 0.12 0.00 0.00 0.00 0.00 34.83 32.45 2okd s MET 58 CO 0.18 -0.34 1.09 -1.25 0.00 0.00 0.00 175.02 174.71 2okd s PRO 59 N -2.79 1.39 0.46 2.03 0.04 -1.26 -4.92 135.00 129.95 2okd s PRO 59 Ca 0.62 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.49 2okd s PRO 59 Cb -0.22 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2okd s PRO 59 CO 0.26 -2.20 1.00 0.15 0.04 0.00 0.00 177.00 176.25 2okd s LYS 60 N -4.86 4.02 -1.43 4.56 1.02 -1.26 -3.80 119.74 117.99 2okd s LYS 60 Ca 0.63 1.25 -0.01 0.00 0.02 0.00 0.00 55.97 57.87 2okd s LYS 60 Cb -0.19 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2okd s LYS 60 CO 0.57 -0.23 0.09 1.19 -0.92 0.00 0.00 175.35 176.06 2okd n PHE 61 N -0.77 -1.32 -4.26 3.18 3.72 -1.26 -4.96 117.46 111.79 2okd n PHE 61 Ca 0.08 0.08 -0.14 0.00 -0.05 0.00 0.00 57.45 57.42 2okd n PHE 61 Cb 0.53 -3.46 -0.10 0.00 -0.94 0.00 0.00 39.48 35.51 2okd n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2okd s TYR 63 N -3.88 0.56 -0.33 0.00 1.13 -0.66 -4.20 117.35 109.97 2okd s TYR 63 Ca 0.35 -1.06 -0.17 0.00 -1.41 0.00 0.00 57.07 54.77 2okd s TYR 63 Cb 0.07 -0.40 -0.01 0.00 -1.10 0.00 0.00 41.96 40.52 2okd s TYR 63 CO 0.11 -0.37 0.48 0.20 -2.51 0.00 0.00 175.55 173.46 2okd s GLY 64 N -2.93 1.84 -0.26 5.49 0.00 -0.35 -0.92 107.32 110.19 2okd s GLY 64 Ca 0.08 -0.96 -0.21 0.00 0.00 0.00 0.00 44.72 43.64 2okd s GLY 64 CO -0.09 1.21 0.64 -1.60 0.00 0.00 0.00 173.10 173.26 2okd s ARG 65 N 2.31 4.08 -0.78 2.90 3.00 0.74 -0.61 118.95 130.59 2okd s ARG 65 Ca 0.18 0.53 -0.26 0.00 -1.00 0.00 0.00 55.73 55.18 2okd s ARG 65 Cb -0.16 -3.66 0.00 0.00 0.00 0.00 0.00 34.95 31.14 2okd s ARG 65 CO 0.12 -0.45 1.61 0.42 0.00 0.00 0.00 175.30 177.00 2okd s ILE 66 N 2.54 3.60 0.11 4.11 -1.09 0.39 -0.77 121.20 130.09 2okd s ILE 66 Ca 0.27 -0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 58.68 2okd s ILE 66 Cb -0.15 -4.49 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 2okd s ILE 66 CO 0.09 -1.43 0.27 0.00 -1.23 0.00 0.00 174.94 172.65 2okd s ALA 67 N 7.38 3.94 0.28 9.38 0.00 0.92 -4.77 121.76 138.90 2okd s ALA 67 Ca 0.53 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2okd s ALA 67 Cb -0.08 -1.89 -0.09 0.00 0.00 0.00 0.00 23.12 21.06 2okd s ALA 67 CO 0.09 0.70 1.07 -1.25 0.00 0.00 0.00 175.76 176.37 2okd s PRO 68 N -2.78 4.63 0.09 0.00 0.04 -1.26 -0.56 135.00 135.16 2okd s PRO 68 Ca 0.36 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 2okd s PRO 68 Cb -0.12 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.22 2okd s PRO 68 CO 0.28 0.23 1.04 1.03 0.04 0.00 0.00 177.00 179.62 2okd s ARG 69 N -1.51 4.59 0.25 4.56 1.81 -1.26 -4.73 118.95 122.67 2okd s ARG 69 Ca 0.45 1.57 -0.01 0.00 -1.72 0.00 0.00 55.73 56.02 2okd s ARG 69 Cb -0.30 -3.36 0.32 0.00 -0.45 0.00 0.00 34.95 31.16 2okd s ARG 69 CO 0.38 0.04 1.71 0.77 -0.68 0.00 0.00 175.30 177.52 2okd h SER 70 N 5.95 0.68 -0.29 0.23 0.02 -1.97 -2.61 113.55 115.56 2okd h SER 70 Ca -0.43 -0.20 0.06 0.00 -0.84 0.00 0.00 61.79 60.38 2okd h SER 70 Cb 1.21 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.50 2okd h SER 70 CO 0.74 0.84 -0.14 1.23 -1.14 0.00 0.00 176.83 178.36 2okd h GLY 71 N 0.97 0.09 2.00 -3.77 0.00 -1.99 -1.47 103.07 98.91 2okd h GLY 71 Ca 0.10 0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 2okd h GLY 71 CO 0.04 -0.16 -0.38 1.41 0.00 0.00 0.00 176.54 177.45 2okd h LEU 72 N -0.10 0.00 -0.55 3.11 3.38 -1.86 -2.97 115.31 116.32 2okd h LEU 72 Ca 0.15 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2okd h LEU 72 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2okd h LEU 72 CO -0.35 0.38 -0.59 0.28 0.09 0.00 0.00 178.44 178.24 2okd h SER 73 N 0.00 0.48 0.81 -0.43 0.02 -1.03 0.15 113.55 113.54 2okd h SER 73 Ca -0.00 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 2okd h SER 73 Cb 0.70 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2okd h SER 73 CO 0.05 0.96 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.51 2okd h LEU 74 N 0.32 0.00 -0.40 5.07 3.38 -1.14 -1.71 115.31 120.83 2okd h LEU 74 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2okd h LEU 74 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2okd h LEU 74 CO 0.10 0.12 -0.15 0.29 0.09 0.00 0.00 178.44 178.90 2okd n LYS 75 N -3.33 0.86 -0.58 1.13 5.02 -0.96 -4.94 118.16 115.36 2okd n LYS 75 Ca -0.00 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 2okd n LYS 75 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2okd n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2okd n GLY 76 N 1.28 1.19 3.32 0.72 0.00 -0.64 -4.33 105.19 106.72 2okd n GLY 76 Ca 0.14 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2okd n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2okd s ILE 77 N -2.00 3.97 0.44 -0.61 -1.09 0.47 -0.57 121.20 121.81 2okd s ILE 77 Ca 0.00 -0.92 0.07 0.00 -2.23 0.00 0.00 60.65 57.57 2okd s ILE 77 Cb 0.00 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 2okd s ILE 77 CO 0.00 -0.08 0.37 -1.81 -1.23 0.00 0.00 174.94 172.18 2okd s ASP 78 N 1.46 4.89 -0.16 3.58 1.01 -0.78 -3.46 116.67 123.21 2okd s ASP 78 Ca 0.01 -0.88 -0.04 0.00 0.71 0.00 0.00 52.55 52.34 2okd s ASP 78 Cb -0.19 -0.37 -0.03 0.00 1.01 0.00 0.00 42.92 43.35 2okd s ASP 78 CO 0.03 -0.73 -0.03 -0.63 0.21 0.00 0.00 175.17 174.02 2okd s ILE 79 N -2.55 3.91 0.06 0.77 -1.09 -1.26 -1.13 121.20 119.91 2okd s ILE 79 Ca 0.45 -0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.48 2okd s ILE 79 Cb -0.02 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 2okd s ILE 79 CO 0.26 0.49 0.28 -0.83 -1.23 0.00 0.00 174.94 173.92 2okd s GLY 80 N 0.40 2.23 0.00 6.18 0.00 -0.65 -4.95 107.32 110.53 2okd s GLY 80 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.05 2okd s GLY 80 CO 0.03 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.23 2okd n GLY 81 N 0.66 4.00 0.55 0.20 0.00 -1.26 -4.17 105.19 105.17 2okd n GLY 81 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2okd n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2okd n GLY 82 N 0.00 0.85 3.36 -0.02 0.00 -1.26 -4.88 105.19 103.24 2okd n GLY 82 Ca 0.00 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 2okd n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2okd s VAL 83 N -2.00 4.96 -0.48 1.61 1.01 -1.26 -0.46 120.40 123.77 2okd s VAL 83 Ca 0.00 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.49 2okd s VAL 83 Cb 0.00 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.94 2okd s VAL 83 CO 0.00 -1.09 0.87 -0.63 0.00 0.00 0.00 175.10 174.25 2okd s ILE 84 N 2.26 4.53 0.58 2.22 -1.09 0.22 -4.98 121.20 124.94 2okd s ILE 84 Ca 0.11 0.47 -0.19 0.00 -2.23 0.00 0.00 60.65 58.81 2okd s ILE 84 Cb -0.23 -4.42 -0.04 0.00 -1.58 0.00 0.00 42.46 36.19 2okd s ILE 84 CO 0.04 -0.87 1.20 -1.81 -1.23 0.00 0.00 174.94 172.27 2okd s ASP 85 N 2.38 5.28 0.43 3.58 1.01 -1.26 -1.21 116.67 126.89 2okd s ASP 85 Ca 0.32 2.37 0.21 0.00 0.71 0.00 0.00 52.55 56.16 2okd s ASP 85 Cb -0.12 -2.60 1.16 0.00 1.01 0.00 0.00 42.92 42.38 2okd s ASP 85 CO 0.23 -1.53 1.81 -0.08 0.21 0.00 0.00 175.17 175.81 2okd h GLU 86 N 0.97 0.33 -0.43 8.23 4.81 -1.89 -2.33 114.58 124.27 2okd h GLU 86 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2okd h GLU 86 Cb 1.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2okd h GLU 86 CO 0.56 0.22 0.00 -0.40 -0.73 0.00 0.00 179.01 178.65 2okd n ASP 87 N -4.53 3.47 -4.71 1.04 5.68 -1.26 -3.98 116.55 112.27 2okd n ASP 87 Ca 0.23 -1.98 -0.42 0.00 -0.50 0.00 0.00 54.79 52.12 2okd n ASP 87 Cb 0.86 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 40.53 2okd n ASP 87 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2okd s TYR 88 N -1.36 3.49 -0.00 2.11 5.04 -0.88 -4.94 117.35 120.80 2okd s TYR 88 Ca 0.39 1.42 0.01 0.00 -2.44 0.00 0.00 57.07 56.44 2okd s TYR 88 Cb 0.22 -3.33 0.01 0.00 0.35 0.00 0.00 41.96 39.21 2okd s TYR 88 CO 0.30 -0.90 0.95 0.54 -1.34 0.00 0.00 175.55 175.10 2okd n ARG 89 N 3.98 2.59 -2.60 4.97 5.12 -1.26 -4.64 116.66 124.81 2okd n ARG 89 Ca 0.08 -1.42 -0.22 0.00 -1.93 0.00 0.00 57.85 54.36 2okd n ARG 89 Cb 0.48 -0.96 0.07 0.00 -1.16 0.00 0.00 32.46 30.89 2okd n ARG 89 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2okd s GLY 90 N -0.94 1.79 -0.21 -0.13 0.00 -1.26 -4.69 107.32 101.88 2okd s GLY 90 Ca 0.01 -1.49 -0.35 0.00 0.00 0.00 0.00 44.72 42.89 2okd s GLY 90 CO 0.00 -1.08 2.00 -2.01 0.00 0.00 0.00 173.10 172.01 2okd n ASN 91 N -2.57 2.87 -4.73 1.64 2.85 -1.26 -4.43 115.26 109.64 2okd n ASN 91 Ca 0.11 0.72 -0.42 0.00 -0.11 0.00 0.00 54.58 54.89 2okd n ASN 91 Cb 0.60 -1.33 -0.03 0.00 1.24 0.00 0.00 39.78 40.27 2okd n ASN 91 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2okd s ILE 92 N 5.51 2.98 0.06 -1.44 1.01 0.13 -4.92 121.20 124.54 2okd s ILE 92 Ca 1.00 0.74 0.08 0.00 0.00 0.00 0.00 60.65 62.47 2okd s ILE 92 Cb -0.76 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 2okd s ILE 92 CO 0.51 0.08 -0.22 -0.83 0.00 0.00 0.00 174.94 174.48 2okd s GLY 93 N 0.85 1.19 -0.16 6.18 0.00 -1.26 -2.00 107.32 112.13 2okd s GLY 93 Ca 0.64 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 44.23 2okd s GLY 93 CO 0.34 -1.08 -0.19 0.14 0.00 0.00 0.00 173.10 172.30 2okd s VAL 94 N -0.90 2.23 -0.50 1.40 1.01 0.62 -4.92 120.40 119.35 2okd s VAL 94 Ca 0.08 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 2okd s VAL 94 Cb -0.09 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.40 2okd s VAL 94 CO 0.03 0.54 0.93 -0.63 0.00 0.00 0.00 175.10 175.97 2okd s ILE 95 N 0.97 4.43 -0.22 2.22 1.01 -1.26 0.93 121.20 129.29 2okd s ILE 95 Ca -0.03 0.58 -0.14 0.00 0.00 0.00 0.00 60.65 61.06 2okd s ILE 95 Cb -0.15 -4.48 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2okd s ILE 95 CO -0.05 -0.94 0.31 -0.76 0.00 0.00 0.00 174.94 173.50 2okd s LEU 96 N 3.85 4.13 -0.36 2.97 1.43 -0.49 -1.64 118.68 128.57 2okd s LEU 96 Ca 0.35 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 2okd s LEU 96 Cb -0.11 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.76 2okd s LEU 96 CO 0.24 -0.03 0.22 -0.63 0.23 0.00 0.00 176.35 176.37 2okd s ILE 97 N 1.27 4.84 -0.82 -0.59 1.01 -0.28 -1.46 121.20 125.17 2okd s ILE 97 Ca 0.15 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 2okd s ILE 97 Cb -0.14 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2okd s ILE 97 CO 0.07 -0.14 1.45 0.21 0.00 0.00 0.00 174.94 176.53 2okd s ASN 98 N 1.62 6.08 -0.03 3.58 3.84 -0.52 -1.87 114.94 127.65 2okd s ASN 98 Ca 0.04 -0.66 0.21 0.00 0.21 0.00 0.00 52.86 52.66 2okd s ASN 98 Cb -0.18 -2.56 0.65 0.00 -0.55 0.00 0.00 41.25 38.61 2okd s ASN 98 CO 0.08 -1.87 1.55 0.59 -2.79 0.00 0.00 177.10 174.66 2okd n ASN 99 N 9.98 4.12 -4.40 -4.21 3.02 0.27 -1.09 115.26 122.94 2okd n ASN 99 Ca 0.17 -2.11 -0.29 0.00 -0.03 0.00 0.00 54.58 52.32 2okd n ASN 99 Cb 0.50 -0.50 0.15 0.00 -0.61 0.00 0.00 39.78 39.32 2okd n ASN 99 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2okd s GLY 100 N -0.98 1.72 0.13 7.41 0.00 -0.94 -4.87 107.32 109.79 2okd s GLY 100 Ca 0.49 -1.05 0.16 0.00 0.00 0.00 0.00 44.72 44.31 2okd s GLY 100 CO 0.31 -0.38 1.03 0.50 0.00 0.00 0.00 173.10 174.55 2okd h LYS 101 N -1.40 0.00 -5.84 2.90 1.79 -1.93 -3.39 116.57 108.70 2okd h LYS 101 Ca -0.45 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.42 2okd h LYS 101 Cb 1.27 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.80 2okd h LYS 101 CO 0.47 0.40 -0.61 0.00 -1.08 0.00 0.00 179.45 178.63 2okd n THR 103 N -0.97 0.98 -4.20 0.00 -1.04 -1.26 -4.18 114.28 103.61 2okd n THR 103 Ca -0.04 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.05 61.38 2okd n THR 103 Cb 0.65 -1.90 -0.13 0.00 -1.82 0.00 0.00 70.33 67.12 2okd n THR 103 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2okd s PHE 104 N 0.03 2.98 -0.17 -1.42 5.36 0.35 -4.98 117.98 120.13 2okd s PHE 104 Ca 0.65 -0.58 -0.13 0.00 -0.96 0.00 0.00 56.93 55.91 2okd s PHE 104 Cb -0.52 -2.03 -0.05 0.00 -0.34 0.00 0.00 43.02 40.09 2okd s PHE 104 CO 0.48 -0.28 0.25 -0.80 -1.46 0.00 0.00 175.22 173.42 2okd s ASN 105 N 0.90 6.39 -0.24 6.13 0.01 -1.26 -1.06 114.94 125.81 2okd s ASN 105 Ca -0.00 0.45 -0.06 0.00 -0.71 0.00 0.00 52.86 52.53 2okd s ASN 105 Cb -0.15 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 2okd s ASN 105 CO 0.01 0.12 0.03 -0.69 -1.51 0.00 0.00 177.10 175.07 2okd s VAL 106 N 0.41 3.99 0.20 1.60 1.01 0.46 -5.00 120.40 123.07 2okd s VAL 106 Ca 0.15 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2okd s VAL 106 Cb -0.13 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2okd s VAL 106 CO 0.03 0.37 0.26 0.20 0.00 0.00 0.00 175.10 175.95 2okd s ASN 107 N 1.55 5.99 0.19 3.32 0.01 -1.26 0.15 114.94 124.88 2okd s ASN 107 Ca 0.06 -0.01 -0.32 0.00 -0.71 0.00 0.00 52.86 51.88 2okd s ASN 107 Cb -0.15 -1.69 -0.11 0.00 0.41 0.00 0.00 41.25 39.71 2okd s ASN 107 CO 0.01 0.00 1.62 -0.89 -1.51 0.00 0.00 177.10 176.34 2okd s THR 108 N -1.89 2.39 0.00 1.60 2.01 -1.20 -2.26 115.64 116.28 2okd s THR 108 Ca 0.33 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.61 2okd s THR 108 Cb -0.10 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2okd s THR 108 CO 0.27 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 2okd n GLY 109 N 3.74 2.42 3.73 4.40 0.00 0.38 -5.00 105.19 114.87 2okd n GLY 109 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2okd n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2okd s ASP 110 N -1.36 6.62 0.08 1.61 1.11 -0.96 -4.73 116.67 119.03 2okd s ASP 110 Ca 0.00 2.66 -0.31 0.00 0.18 0.00 0.00 52.55 55.08 2okd s ASP 110 Cb 0.00 -2.61 -0.06 0.00 1.07 0.00 0.00 42.92 41.31 2okd s ASP 110 CO 0.00 -0.76 1.27 -0.60 1.18 0.00 0.00 175.17 176.26 2okd s ARG 111 N 0.22 4.39 0.00 8.23 3.52 -1.26 -1.34 118.95 132.70 2okd s ARG 111 Ca 0.64 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 58.12 2okd s ARG 111 Cb -0.43 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 2okd s ARG 111 CO 0.39 -0.33 0.00 0.44 -0.81 0.00 0.00 175.30 174.98 2okd n ILE 112 N 3.97 0.00 -3.80 4.11 -5.35 -0.05 -4.95 119.36 113.29 2okd n ILE 112 Ca 0.10 -0.07 -0.02 0.00 -0.27 0.00 0.00 62.75 62.49 2okd n ILE 112 Cb 0.45 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 2okd n ILE 112 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2okd s ALA 113 N -1.54 -1.76 -0.11 -1.28 0.00 -1.22 -4.66 121.76 111.20 2okd s ALA 113 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.00 2okd s ALA 113 Cb 0.00 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.79 2okd s ALA 113 CO 0.00 -1.06 -0.14 1.14 0.00 0.00 0.00 175.76 175.70 2okd s GLN 114 N -2.66 2.07 -0.42 0.00 -2.07 0.27 -1.33 119.66 115.52 2okd s GLN 114 Ca 0.17 -0.50 -0.24 0.00 -1.82 0.00 0.00 55.36 52.98 2okd s GLN 114 Cb -0.01 -1.81 0.02 0.00 -1.09 0.00 0.00 33.01 30.12 2okd s GLN 114 CO 0.02 -0.10 0.81 -1.17 -1.32 0.00 0.00 175.29 173.54 2okd s LEU 115 N 1.10 4.16 -0.21 2.60 2.96 0.73 -0.05 118.68 129.96 2okd s LEU 115 Ca -0.05 0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.88 2okd s LEU 115 Cb -0.14 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.46 2okd s LEU 115 CO -0.03 -0.87 0.12 -0.63 -1.32 0.00 0.00 176.35 173.62 2okd s ILE 116 N 3.31 5.27 -1.03 6.68 1.01 0.05 -0.69 121.20 135.79 2okd s ILE 116 Ca 0.32 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.90 2okd s ILE 116 Cb -0.12 -3.41 0.07 0.00 0.01 0.00 0.00 42.46 39.01 2okd s ILE 116 CO 0.21 0.42 1.40 -0.31 0.00 0.00 0.00 174.94 176.67 2okd s TYR 117 N 0.52 2.71 -0.12 3.97 2.02 -1.26 -0.19 117.35 125.01 2okd s TYR 117 Ca 0.07 -1.07 -0.24 0.00 -0.37 0.00 0.00 57.07 55.45 2okd s TYR 117 Cb -0.12 -4.60 -0.03 0.00 -0.40 0.00 0.00 41.96 36.82 2okd s TYR 117 CO -0.00 -1.81 0.77 -0.65 -1.57 0.00 0.00 175.55 172.29 2okd s GLN 118 N 4.29 4.36 -0.00 -0.62 -0.21 -0.09 -4.88 119.66 122.51 2okd s GLN 118 Ca 0.44 0.95 -0.30 0.00 0.02 0.00 0.00 55.36 56.46 2okd s GLN 118 Cb -0.01 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 2okd s GLN 118 CO -0.08 -0.14 1.09 1.03 -2.12 0.00 0.00 175.29 175.07 2okd s ARG 119 N 1.50 4.47 0.15 2.91 0.52 -1.26 -1.65 118.95 125.57 2okd s ARG 119 Ca 0.38 1.57 0.04 0.00 -0.52 0.00 0.00 55.73 57.19 2okd s ARG 119 Cb -0.17 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 2okd s ARG 119 CO 0.16 -0.21 -0.08 0.96 0.02 0.00 0.00 175.30 176.14 2okd s ILE 120 N 1.36 1.02 0.00 1.52 -4.36 -0.38 -4.98 121.20 115.38 2okd s ILE 120 Ca 0.54 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 2okd s ILE 120 Cb -0.24 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 2okd s ILE 120 CO 0.26 -0.72 0.05 -0.31 0.24 0.00 0.00 174.94 174.46 2okd s TYR 121 N -3.43 3.20 -0.79 1.37 2.02 -1.26 -4.61 117.35 113.85 2okd s TYR 121 Ca 0.17 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 57.05 2okd s TYR 121 Cb 0.04 -1.71 0.22 0.00 -0.40 0.00 0.00 41.96 40.11 2okd s TYR 121 CO 0.00 0.52 0.76 0.66 -1.57 0.00 0.00 175.55 175.92 2okd n TYR 122 N 1.22 3.62 -1.89 2.71 4.01 -1.26 -5.10 117.16 120.48 2okd n TYR 122 Ca -0.13 -4.05 -0.31 0.00 -0.16 0.00 0.00 57.90 53.24 2okd n TYR 122 Cb 0.53 -0.85 0.01 0.00 -0.31 0.00 0.00 39.34 38.72 2okd n TYR 122 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 2okd s PRO 123 N -1.84 3.48 0.22 -0.72 0.02 -1.26 -5.03 135.00 129.86 2okd s PRO 123 Ca 0.30 0.86 -0.30 0.00 0.02 0.00 0.00 61.00 61.88 2okd s PRO 123 Cb 0.01 -2.06 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 2okd s PRO 123 CO -0.09 -0.67 0.96 -1.21 -0.33 0.00 0.00 177.00 175.67 2okd s GLU 124 N -4.91 4.80 -0.13 5.54 0.41 -1.26 -5.06 118.70 118.09 2okd s GLU 124 Ca 0.57 1.52 -0.10 0.00 -0.41 0.00 0.00 54.97 56.54 2okd s GLU 124 Cb -0.12 -3.29 -0.05 0.00 -1.78 0.00 0.00 34.13 28.89 2okd s GLU 124 CO 0.50 0.43 0.21 -0.51 -0.49 0.00 0.00 175.26 175.39 2okd s LEU 125 N -0.96 4.32 -0.14 1.80 1.43 -1.26 -5.09 118.68 118.78 2okd s LEU 125 Ca 0.43 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2okd s LEU 125 Cb -0.26 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.77 2okd s LEU 125 CO 0.32 0.27 -0.06 -0.70 0.23 0.00 0.00 176.35 176.41 2okd s GLU 126 N -0.33 1.44 0.05 1.70 2.12 -1.26 -5.12 118.70 117.30 2okd s GLU 126 Ca 0.15 -0.40 -0.31 0.00 0.36 0.00 0.00 54.97 54.77 2okd s GLU 126 Cb -0.13 -1.82 -0.06 0.00 0.26 0.00 0.00 34.13 32.38 2okd s GLU 126 CO 0.04 -0.37 1.27 -2.00 -0.54 0.00 0.00 175.26 173.65 2okd s GLU 127 N 1.67 4.38 0.36 4.30 2.12 -1.26 -5.03 118.70 125.24 2okd s GLU 127 Ca 0.02 1.85 0.04 0.00 0.36 0.00 0.00 54.97 57.24 2okd s GLU 127 Cb -0.14 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2okd s GLU 127 CO -0.08 -0.36 0.06 0.14 -0.54 0.00 0.00 175.26 174.49 2okd s VAL 128 N 1.36 1.15 -0.11 3.70 -7.23 -1.26 -5.07 120.40 112.95 2okd s VAL 128 Ca 0.60 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.54 2okd s VAL 128 Cb -0.31 -2.70 -0.28 0.00 0.56 0.00 0.00 36.38 33.66 2okd s VAL 128 CO 0.28 0.00 0.72 1.56 -0.31 0.00 0.00 175.10 177.35 2okd h GLN 129 N 1.98 0.16 -3.87 4.82 7.50 -2.10 -3.48 115.11 120.12 2okd h GLN 129 Ca -0.40 -0.27 -0.10 0.00 0.50 0.00 0.00 58.65 58.38 2okd h GLN 129 Cb 1.25 0.10 -0.11 0.00 0.05 0.00 0.00 27.48 28.77 2okd h GLN 129 CO 0.69 1.13 -0.25 -1.54 -1.50 0.00 0.00 178.83 177.36 2okd s SER 130 N -6.71 -0.03 0.00 1.46 1.04 -1.26 -5.36 113.70 102.84 2okd s SER 130 Ca -0.18 -1.00 0.19 0.00 0.48 0.00 0.00 55.95 55.44 2okd s SER 130 Cb 0.01 0.52 0.15 0.00 0.10 0.00 0.00 66.02 66.80 2okd s SER 130 CO 0.75 -1.04 1.11 0.18 0.98 0.00 0.00 173.24 175.22