#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2okd s VAL 10 N 0.00 4.03 -0.15 0.52 1.01 -1.26 -4.95 120.40 119.60 2okd s VAL 10 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 2okd s VAL 10 Cb 0.00 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2okd s VAL 10 CO 0.00 0.49 0.29 -0.13 0.00 0.00 0.00 175.10 175.75 2okd s ARG 11 N 0.32 4.17 0.13 2.72 0.52 -1.26 -4.98 118.95 120.58 2okd s ARG 11 Ca -0.03 0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.35 2okd s ARG 11 Cb -0.14 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2okd s ARG 11 CO 0.03 0.31 -0.17 -0.59 0.02 0.00 0.00 175.30 174.90 2okd s PHE 12 N 0.25 1.61 -0.07 -0.53 -0.71 -1.26 -1.24 117.98 116.02 2okd s PHE 12 Ca 0.17 -0.49 0.05 0.00 -1.04 0.00 0.00 56.93 55.62 2okd s PHE 12 Cb -0.13 -0.84 -0.01 0.00 -1.21 0.00 0.00 43.02 40.83 2okd s PHE 12 CO 0.04 0.21 -0.23 0.08 -1.34 0.00 0.00 175.22 173.99 2okd s VAL 13 N -1.83 2.22 -0.28 -2.49 1.01 0.36 -5.00 120.40 114.39 2okd s VAL 13 Ca 0.10 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 2okd s VAL 13 Cb -0.07 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2okd s VAL 13 CO 0.04 0.57 0.88 -0.54 0.00 0.00 0.00 175.10 176.05 2okd s LYS 14 N -0.07 4.08 0.19 2.72 1.02 -1.26 -2.10 119.74 124.33 2okd s LYS 14 Ca -0.06 0.87 0.06 0.00 0.02 0.00 0.00 55.97 56.86 2okd s LYS 14 Cb -0.14 -3.69 0.09 0.00 -0.52 0.00 0.00 37.83 33.56 2okd s LYS 14 CO 0.05 -0.66 1.45 0.93 -0.92 0.00 0.00 175.35 176.19 2okd h GLU 15 N 7.90 0.11 -4.62 1.68 4.39 -1.43 -3.46 114.58 119.15 2okd h GLU 15 Ca -0.23 -0.11 -0.24 0.00 0.34 0.00 0.00 59.36 59.13 2okd h GLU 15 Cb 1.08 0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 29.61 2okd h GLU 15 CO 0.92 0.85 -0.65 0.95 -1.16 0.00 0.00 179.01 179.92 2okd s THR 16 N -3.29 0.34 -0.26 1.13 -4.23 -1.26 -5.03 115.64 103.04 2okd s THR 16 Ca -0.02 -1.95 0.25 0.00 -1.18 0.00 0.00 61.69 58.79 2okd s THR 16 Cb 0.11 -2.17 0.27 0.00 1.34 0.00 0.00 72.50 72.04 2okd s THR 16 CO 0.80 -0.38 1.77 -0.55 -0.54 0.00 0.00 174.62 175.72 2okd h ASN 17 N 2.73 0.00 0.86 3.99 -1.07 -1.96 -2.46 115.58 117.68 2okd h ASN 17 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.01 2okd h ASN 17 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2okd h ASN 17 CO 0.60 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.64 2okd n ARG 18 N -2.39 0.20 -2.67 4.14 1.74 -1.26 -4.79 116.66 111.63 2okd n ARG 18 Ca 0.01 0.38 -0.40 0.00 -0.77 0.00 0.00 57.85 57.07 2okd n ARG 18 Cb 0.17 -1.85 -0.05 0.00 -1.02 0.00 0.00 32.46 29.70 2okd n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2okd s ALA 19 N -3.27 3.35 -0.07 7.54 0.00 -0.93 -4.59 121.76 123.79 2okd s ALA 19 Ca 0.05 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.73 2okd s ALA 19 Cb 0.10 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2okd s ALA 19 CO 0.43 0.09 -0.12 0.15 0.00 0.00 0.00 175.76 176.31 2okd s LYS 20 N -1.34 2.71 0.16 0.00 1.02 -1.26 -5.01 119.74 116.02 2okd s LYS 20 Ca 0.43 -0.65 -0.33 0.00 0.02 0.00 0.00 55.97 55.44 2okd s LYS 20 Cb -0.27 -2.48 -0.13 0.00 -0.52 0.00 0.00 37.83 34.43 2okd s LYS 20 CO 0.34 0.58 1.67 0.43 -0.92 0.00 0.00 175.35 177.45 2okd n SER 21 N 2.46 3.53 -4.75 2.83 7.64 -1.26 -4.83 113.62 119.23 2okd n SER 21 Ca -0.17 1.06 -0.41 0.00 1.01 0.00 0.00 58.87 60.35 2okd n SER 21 Cb 0.52 -1.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.21 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 1.36 4.31 0.05 1.43 0.02 -1.26 -4.98 135.00 135.92 2okd s PRO 22 Ca 0.79 2.25 0.04 0.00 0.02 0.00 0.00 61.00 64.09 2okd s PRO 22 Cb -0.60 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 30.80 2okd s PRO 22 CO 0.37 -0.32 -0.11 0.95 -0.33 0.00 0.00 177.00 177.56 2okd s THR 23 N -0.43 0.82 0.21 0.99 -4.23 -1.23 -4.84 115.64 106.93 2okd s THR 23 Ca 0.55 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.83 2okd s THR 23 Cb -0.41 -0.81 -0.08 0.00 1.34 0.00 0.00 72.50 72.55 2okd s THR 23 CO 0.47 -0.22 0.66 -0.13 -0.54 0.00 0.00 174.62 174.86 2okd s ARG 24 N -1.42 4.10 -0.11 3.99 0.52 -1.26 0.10 118.95 124.87 2okd s ARG 24 Ca -0.04 0.68 -0.24 0.00 -0.52 0.00 0.00 55.73 55.61 2okd s ARG 24 Cb -0.09 -2.81 -0.21 0.00 0.52 0.00 0.00 34.95 32.36 2okd s ARG 24 CO 0.01 0.38 0.75 1.96 0.02 0.00 0.00 175.30 178.42 2okd h GLN 25 N 3.22 -0.03 -5.38 3.54 4.20 -1.94 -3.48 115.11 115.25 2okd h GLN 25 Ca -0.48 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 57.80 2okd h GLN 25 Cb 1.19 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 28.83 2okd h GLN 25 CO 0.66 0.72 -0.70 -1.54 -0.67 0.00 0.00 178.83 177.30 2okd s SER 26 N -5.98 2.37 0.63 1.46 1.04 -1.26 -5.03 113.70 106.94 2okd s SER 26 Ca -0.16 -1.11 0.39 0.00 0.48 0.00 0.00 55.95 55.55 2okd s SER 26 Cb -0.02 -0.10 2.17 0.00 0.10 0.00 0.00 66.02 68.17 2okd s SER 26 CO 0.58 -0.32 2.32 -0.65 0.98 0.00 0.00 173.24 176.15 2okd h PRO 27 N 2.48 0.00 -0.50 4.02 0.11 -2.04 -1.55 132.00 134.53 2okd h PRO 27 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2okd h PRO 27 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2okd h PRO 27 CO 0.64 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 2okd n GLY 28 N -1.14 3.11 3.75 -0.55 0.00 -1.26 -5.00 105.19 104.10 2okd n GLY 28 Ca -0.03 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.10 3.43 -0.03 4.61 0.00 -0.59 -4.98 121.76 122.11 2okd s ALA 29 Ca 0.46 0.97 -0.26 0.00 0.00 0.00 0.00 51.96 53.12 2okd s ALA 29 Cb 0.32 -3.39 -0.21 0.00 0.00 0.00 0.00 23.12 19.84 2okd s ALA 29 CO 0.18 -0.32 1.22 0.00 0.00 0.00 0.00 175.76 176.85 2okd h ALA 30 N 4.41 -0.00 -1.65 0.00 0.00 -1.94 -3.47 119.26 116.60 2okd h ALA 30 Ca -0.46 -0.27 -0.58 0.00 0.00 0.00 0.00 54.91 53.60 2okd h ALA 30 Cb 1.21 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 2okd h ALA 30 CO 0.70 -0.23 -0.53 0.20 0.00 0.00 0.00 179.25 179.38 2okd s GLY 31 N -3.27 2.34 -0.18 0.00 0.00 -1.26 -4.62 107.32 100.32 2okd s GLY 31 Ca -0.16 -2.13 -0.10 0.00 0.00 0.00 0.00 44.72 42.32 2okd s GLY 31 CO 0.68 -1.95 0.15 -0.19 0.00 0.00 0.00 173.10 171.79 2okd s TYR 32 N -2.61 3.44 0.17 1.90 1.51 0.14 -4.57 117.35 117.34 2okd s TYR 32 Ca 0.39 0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 56.53 2okd s TYR 32 Cb 0.05 -2.16 -0.10 0.00 -0.11 0.00 0.00 41.96 39.64 2okd s TYR 32 CO 0.21 0.34 1.49 -0.51 -1.11 0.00 0.00 175.55 175.96 2okd s ASP 33 N 0.20 6.67 -0.00 2.29 1.01 0.29 0.16 116.67 127.29 2okd s ASP 33 Ca 0.10 2.55 0.01 0.00 0.71 0.00 0.00 52.55 55.93 2okd s ASP 33 Cb -0.11 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 2okd s ASP 33 CO -0.01 -0.74 0.01 -0.76 0.21 0.00 0.00 175.17 173.88 2okd s LEU 34 N 0.71 3.54 0.08 1.23 1.43 -0.24 -3.52 118.68 121.93 2okd s LEU 34 Ca 0.66 0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.83 2okd s LEU 34 Cb -0.41 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2okd s LEU 34 CO 0.34 0.28 -0.18 -0.31 0.23 0.00 0.00 176.35 176.71 2okd s TYR 35 N -1.10 1.52 0.09 0.29 2.02 -1.26 -0.91 117.35 117.99 2okd s TYR 35 Ca 0.20 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.17 2okd s TYR 35 Cb -0.12 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.54 2okd s TYR 35 CO 0.11 0.13 1.19 0.45 -1.57 0.00 0.00 175.55 175.85 2okd s SER 36 N -1.75 7.10 0.00 2.29 0.15 -0.47 -4.37 113.70 116.65 2okd s SER 36 Ca 0.03 2.04 0.26 0.00 0.70 0.00 0.00 55.95 58.98 2okd s SER 36 Cb -0.10 -2.58 0.73 0.00 -1.71 0.00 0.00 66.02 62.36 2okd s SER 36 CO 0.03 -0.43 1.56 0.00 1.20 0.00 0.00 173.24 175.60 2okd n ALA 37 N 3.63 3.20 -2.41 5.45 0.00 -0.54 0.58 120.51 130.42 2okd n ALA 37 Ca 0.08 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 2okd n ALA 37 Cb 0.46 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.74 0.84 0.16 0.00 2.02 -1.26 -4.81 117.35 111.56 2okd s TYR 38 Ca 0.19 -1.15 -0.25 0.00 -0.37 0.00 0.00 57.07 55.49 2okd s TYR 38 Cb 0.19 -0.35 -0.08 0.00 -0.40 0.00 0.00 41.96 41.32 2okd s TYR 38 CO 0.59 -0.67 0.76 -0.51 -1.57 0.00 0.00 175.55 174.15 2okd s ASP 39 N -3.08 7.35 0.07 2.29 1.01 -1.26 -3.42 116.67 119.63 2okd s ASP 39 Ca 0.29 1.60 -0.02 0.00 0.71 0.00 0.00 52.55 55.13 2okd s ASP 39 Cb 0.05 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 2okd s ASP 39 CO 0.07 0.21 0.03 -0.31 0.21 0.00 0.00 175.17 175.38 2okd s TYR 40 N -1.17 0.52 -0.04 4.23 1.51 0.55 -4.99 117.35 117.97 2okd s TYR 40 Ca 0.35 -1.01 -0.01 0.00 -1.01 0.00 0.00 57.07 55.39 2okd s TYR 40 Cb -0.22 -0.34 0.03 0.00 -0.11 0.00 0.00 41.96 41.31 2okd s TYR 40 CO 0.25 -0.44 0.03 0.99 -1.11 0.00 0.00 175.55 175.27 2okd s THR 41 N -3.94 0.05 -0.23 -0.71 2.01 -1.26 -1.07 115.64 110.49 2okd s THR 41 Ca 0.10 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2okd s THR 41 Cb 0.07 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.39 2okd s THR 41 CO -0.08 0.17 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.28 2okd s ILE 42 N 1.68 2.47 0.59 1.82 1.01 0.54 -4.97 121.20 124.35 2okd s ILE 42 Ca -0.01 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.30 2okd s ILE 42 Cb -0.13 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2okd s ILE 42 CO -0.03 0.23 1.13 -2.84 0.00 0.00 0.00 174.94 173.43 2okd s PRO 43 N 1.26 3.14 0.33 2.79 0.02 -1.26 -0.54 135.00 140.73 2okd s PRO 43 Ca -0.01 1.56 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 2okd s PRO 43 Cb -0.17 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.26 2okd s PRO 43 CO -0.07 -1.01 1.56 -2.14 -0.33 0.00 0.00 177.00 175.01 2okd s PRO 44 N -3.55 4.11 -0.72 5.54 0.02 -1.26 -2.13 135.00 137.01 2okd s PRO 44 Ca 0.71 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.33 2okd s PRO 44 Cb -0.23 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2okd s PRO 44 CO 0.32 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 2okd n GLY 45 N 1.53 0.73 3.30 0.52 0.00 0.18 -5.02 105.19 106.43 2okd n GLY 45 Ca 0.06 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.01 1.25 0.24 1.61 0.41 -0.90 -5.01 118.70 113.29 2okd s GLU 46 Ca 0.00 -1.62 0.06 0.00 -0.41 0.00 0.00 54.97 53.00 2okd s GLU 46 Cb 0.00 -0.52 -0.05 0.00 -1.78 0.00 0.00 34.13 31.78 2okd s GLU 46 CO 0.00 -0.09 -0.06 -0.98 -0.49 0.00 0.00 175.26 173.63 2okd s ARG 47 N -3.87 1.42 -0.14 1.61 1.70 -1.26 -1.10 118.95 117.31 2okd s ARG 47 Ca 0.26 -1.70 -0.07 0.00 -0.47 0.00 0.00 55.73 53.76 2okd s ARG 47 Cb 0.05 -0.97 0.06 0.00 -0.57 0.00 0.00 34.95 33.52 2okd s ARG 47 CO 0.07 0.03 0.33 -1.14 -1.08 0.00 0.00 175.30 173.51 2okd s GLN 48 N -3.75 0.29 -0.25 3.89 2.00 0.25 -5.00 119.66 117.10 2okd s GLN 48 Ca 0.27 0.70 -0.29 0.00 -2.00 0.00 0.00 55.36 54.04 2okd s GLN 48 Cb 0.03 -0.04 0.00 0.00 0.80 0.00 0.00 33.01 33.80 2okd s GLN 48 CO 0.09 -0.18 1.21 -1.17 -0.50 0.00 0.00 175.29 174.75 2okd s LEU 49 N 1.50 4.01 -0.19 3.68 2.96 -1.26 -1.44 118.68 127.95 2okd s LEU 49 Ca -0.08 1.35 -0.10 0.00 -0.22 0.00 0.00 54.13 55.08 2okd s LEU 49 Cb -0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 2okd s LEU 49 CO -0.11 -0.89 0.13 -0.63 -1.32 0.00 0.00 176.35 173.53 2okd s ILE 50 N 3.81 5.42 -0.02 6.68 -1.09 0.25 -4.87 121.20 131.38 2okd s ILE 50 Ca 0.52 0.19 -0.18 0.00 -2.23 0.00 0.00 60.65 58.95 2okd s ILE 50 Cb -0.17 -3.46 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2okd s ILE 50 CO 0.17 0.46 0.51 -0.54 -1.23 0.00 0.00 174.94 174.31 2okd s LYS 51 N 0.19 4.21 0.02 2.79 1.02 -1.26 0.17 119.74 126.88 2okd s LYS 51 Ca 0.09 0.58 0.22 0.00 0.02 0.00 0.00 55.97 56.88 2okd s LYS 51 Cb -0.11 -3.32 -0.26 0.00 -0.52 0.00 0.00 37.83 33.61 2okd s LYS 51 CO -0.01 0.43 0.61 0.25 -0.92 0.00 0.00 175.35 175.71 2okd n THR 52 N 2.61 0.13 -2.48 2.17 -2.24 -1.00 -1.47 114.28 112.00 2okd n THR 52 Ca -0.09 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 61.00 2okd n THR 52 Cb 0.51 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.33 -5.44 -4.11 3.42 9.92 -1.26 -4.43 116.55 112.33 2okd n ASP 53 Ca -0.03 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.92 2okd n ASP 53 Cb 0.56 -4.53 -0.16 0.00 -0.64 0.00 0.00 41.12 36.35 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 -2.95 1.88 0.10 0.53 -1.09 -1.26 -0.98 121.20 117.43 2okd s ILE 54 Ca 0.03 -0.85 0.07 0.00 -2.23 0.00 0.00 60.65 57.68 2okd s ILE 54 Cb -0.02 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 2okd s ILE 54 CO 0.04 0.51 -0.12 -0.94 -1.23 0.00 0.00 174.94 173.21 2okd s SER 55 N 1.15 4.27 0.14 3.58 1.04 -0.89 -0.69 113.70 122.29 2okd s SER 55 Ca -0.00 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 2okd s SER 55 Cb -0.14 -0.77 0.01 0.00 0.10 0.00 0.00 66.02 65.21 2okd s SER 55 CO -0.08 0.18 0.33 0.00 0.98 0.00 0.00 173.24 174.65 2okd s MET 56 N -2.14 1.10 -0.37 4.02 0.00 -1.26 -0.49 119.30 120.17 2okd s MET 56 Ca 0.20 -0.97 -0.17 0.00 0.00 0.00 0.00 55.69 54.75 2okd s MET 56 Cb -0.11 0.41 0.00 0.00 0.00 0.00 0.00 34.83 35.13 2okd s MET 56 CO 0.12 -0.41 0.45 -1.54 0.00 0.00 0.00 175.02 173.65 2okd s SER 57 N -2.89 6.24 0.30 -1.18 1.04 -0.38 -4.69 113.70 112.15 2okd s SER 57 Ca 0.10 -0.25 -0.28 0.00 0.48 0.00 0.00 55.95 56.00 2okd s SER 57 Cb 0.03 -2.24 -0.09 0.00 0.10 0.00 0.00 66.02 63.82 2okd s SER 57 CO -0.06 -0.47 1.02 -0.32 0.98 0.00 0.00 173.24 174.40 2okd s MET 58 N 2.24 4.61 0.90 4.02 1.75 -1.26 -4.31 119.30 127.25 2okd s MET 58 Ca 0.15 1.60 -0.10 0.00 -1.25 0.00 0.00 55.69 56.09 2okd s MET 58 Cb -0.16 -3.05 0.14 0.00 2.84 0.00 0.00 34.83 34.60 2okd s MET 58 CO 0.13 0.25 1.12 -2.14 -0.65 0.00 0.00 175.02 173.73 2okd s PRO 59 N -1.64 1.14 0.36 4.11 0.02 -1.26 -4.97 135.00 132.77 2okd s PRO 59 Ca 0.47 1.36 -0.26 0.00 0.02 0.00 0.00 61.00 62.58 2okd s PRO 59 Cb -0.27 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 2okd s PRO 59 CO 0.34 -2.48 1.14 0.15 -0.33 0.00 0.00 177.00 175.81 2okd s LYS 60 N -4.71 4.25 -1.43 5.54 1.02 -1.26 -3.39 119.74 119.75 2okd s LYS 60 Ca 0.65 1.79 -0.09 0.00 0.02 0.00 0.00 55.97 58.34 2okd s LYS 60 Cb -0.21 -2.81 0.02 0.00 -0.52 0.00 0.00 37.83 34.31 2okd s LYS 60 CO 0.58 -0.14 1.00 1.19 -0.92 0.00 0.00 175.35 177.07 2okd n PHE 61 N 0.38 -2.56 -4.08 3.18 3.01 -1.26 -4.98 117.46 111.14 2okd n PHE 61 Ca 0.03 0.87 -0.10 0.00 1.01 0.00 0.00 57.45 59.26 2okd n PHE 61 Cb 0.46 -4.69 -0.09 0.00 -0.01 0.00 0.00 39.48 35.15 2okd n PHE 61 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2okd s TYR 63 N -4.03 -0.21 -0.18 0.00 1.13 -0.93 -4.23 117.35 108.91 2okd s TYR 63 Ca 0.22 0.35 -0.24 0.00 -1.41 0.00 0.00 57.07 55.99 2okd s TYR 63 Cb 0.06 0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 41.01 2okd s TYR 63 CO 0.02 -0.38 0.75 0.20 -2.51 0.00 0.00 175.55 173.63 2okd s GLY 64 N -1.19 2.09 -0.22 5.49 0.00 -0.22 -0.79 107.32 112.49 2okd s GLY 64 Ca -0.12 -0.08 -0.18 0.00 0.00 0.00 0.00 44.72 44.34 2okd s GLY 64 CO 0.04 1.53 0.48 -1.60 0.00 0.00 0.00 173.10 173.55 2okd s ARG 65 N 2.04 4.15 -0.51 2.90 3.00 0.12 -0.52 118.95 130.13 2okd s ARG 65 Ca 0.35 0.32 -0.28 0.00 -1.00 0.00 0.00 55.73 55.12 2okd s ARG 65 Cb -0.16 -3.58 0.02 0.00 0.00 0.00 0.00 34.95 31.22 2okd s ARG 65 CO 0.12 -0.18 1.34 0.42 0.00 0.00 0.00 175.30 177.00 2okd s ILE 66 N 1.74 3.92 0.11 4.11 -1.09 0.25 -1.26 121.20 128.98 2okd s ILE 66 Ca 0.22 0.87 0.07 0.00 -2.23 0.00 0.00 60.65 59.58 2okd s ILE 66 Cb -0.15 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.25 2okd s ILE 66 CO 0.09 -1.05 -0.10 0.00 -1.23 0.00 0.00 174.94 172.65 2okd s ALA 67 N 5.47 2.95 0.53 9.38 0.00 -0.16 -4.78 121.76 135.14 2okd s ALA 67 Ca 0.53 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 2okd s ALA 67 Cb -0.10 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 2okd s ALA 67 CO 0.28 0.62 1.14 -1.25 0.00 0.00 0.00 175.76 176.56 2okd s PRO 68 N -2.29 3.40 0.01 0.00 0.04 -1.26 -1.17 135.00 133.73 2okd s PRO 68 Ca 0.22 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 2okd s PRO 68 Cb -0.11 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2okd s PRO 68 CO 0.14 -0.82 1.08 1.03 0.04 0.00 0.00 177.00 178.46 2okd s ARG 69 N -3.18 4.49 0.48 4.56 0.52 -1.26 -4.66 118.95 119.90 2okd s ARG 69 Ca 0.71 1.56 0.16 0.00 -0.52 0.00 0.00 55.73 57.65 2okd s ARG 69 Cb -0.25 -3.43 1.15 0.00 0.52 0.00 0.00 34.95 32.93 2okd s ARG 69 CO 0.29 -0.17 2.06 0.77 0.02 0.00 0.00 175.30 178.26 2okd h SER 70 N 6.87 0.00 -0.76 0.23 0.02 -1.97 -2.46 113.55 115.48 2okd h SER 70 Ca -0.40 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 2okd h SER 70 Cb 1.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 2okd h SER 70 CO 0.79 0.11 0.26 1.23 -1.14 0.00 0.00 176.83 178.09 2okd h GLY 71 N 0.36 1.26 1.56 -3.77 0.00 -1.99 -2.09 103.07 98.41 2okd h GLY 71 Ca -0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 47.33 46.42 2okd h GLY 71 CO 0.01 0.68 -0.70 1.41 0.00 0.00 0.00 176.54 177.95 2okd h LEU 72 N 1.13 0.51 -1.81 3.11 3.38 -1.81 -3.17 115.31 116.64 2okd h LEU 72 Ca 0.25 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2okd h LEU 72 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2okd h LEU 72 CO -0.01 1.05 -0.00 0.28 0.09 0.00 0.00 178.44 179.85 2okd h SER 73 N 0.30 0.09 1.32 -0.43 0.02 -1.19 -0.79 113.55 112.88 2okd h SER 73 Ca -0.02 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2okd h SER 73 Cb 1.26 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2okd h SER 73 CO 0.12 0.12 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.69 2okd h LEU 74 N 0.11 0.00 -1.38 5.07 3.38 -1.36 -2.71 115.31 118.42 2okd h LEU 74 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2okd h LEU 74 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2okd h LEU 74 CO 0.00 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.00 2okd n LYS 75 N -3.23 1.88 -0.39 1.13 5.02 -0.43 -4.92 118.16 117.23 2okd n LYS 75 Ca 0.02 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 2okd n LYS 75 Cb 0.49 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 1.16 0.71 3.68 0.72 0.00 -1.02 -4.34 105.19 106.09 2okd n GLY 76 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.71 4.92 0.34 -0.61 -1.09 -0.47 -1.87 121.20 119.72 2okd s ILE 77 Ca 0.00 1.58 0.07 0.00 -2.23 0.00 0.00 60.65 60.07 2okd s ILE 77 Cb 0.00 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 36.70 2okd s ILE 77 CO 0.00 0.08 -0.02 -1.81 -1.23 0.00 0.00 174.94 171.96 2okd s ASP 78 N 1.09 3.25 -0.19 3.58 1.01 -0.59 -3.18 116.67 121.63 2okd s ASP 78 Ca 0.38 -1.28 -0.07 0.00 0.71 0.00 0.00 52.55 52.28 2okd s ASP 78 Cb -0.17 -0.26 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 2okd s ASP 78 CO 0.14 -0.39 0.06 -0.63 0.21 0.00 0.00 175.17 174.56 2okd s ILE 79 N -2.88 4.77 0.26 0.77 -1.09 -1.26 -0.58 121.20 121.19 2okd s ILE 79 Ca 0.33 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.76 2okd s ILE 79 Cb 0.06 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 2okd s ILE 79 CO 0.15 0.45 0.39 -0.83 -1.23 0.00 0.00 174.94 173.88 2okd s GLY 80 N 0.45 1.25 0.00 6.18 0.00 0.29 -4.94 107.32 110.54 2okd s GLY 80 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2okd s GLY 80 CO 0.01 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.51 2okd n GLY 81 N -1.48 3.17 0.00 0.20 0.00 -1.26 -4.22 105.19 101.59 2okd n GLY 81 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.88 3.45 -0.02 0.00 -1.26 -4.89 105.19 103.36 2okd n GLY 82 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.46 -0.57 1.61 1.01 -1.26 -0.59 120.40 123.06 2okd s VAL 83 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 2okd s VAL 83 Cb 0.00 -4.59 0.09 0.00 0.00 0.00 0.00 36.38 31.89 2okd s VAL 83 CO 0.00 -1.28 0.69 -0.63 0.00 0.00 0.00 175.10 173.88 2okd s ILE 84 N 3.70 4.83 0.72 2.22 -1.09 0.32 -4.99 121.20 126.91 2okd s ILE 84 Ca 0.21 -0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 57.63 2okd s ILE 84 Cb -0.17 -4.45 0.02 0.00 -1.58 0.00 0.00 42.46 36.28 2okd s ILE 84 CO 0.12 -1.06 1.10 1.51 -1.23 0.00 0.00 174.94 175.38 2okd s ASP 85 N 3.42 5.29 0.51 3.58 -4.77 -1.26 -1.06 116.67 122.39 2okd s ASP 85 Ca 0.12 1.12 0.16 0.00 -3.30 0.00 0.00 52.55 50.66 2okd s ASP 85 Cb -0.23 -1.89 1.24 0.00 -1.09 0.00 0.00 42.92 40.95 2okd s ASP 85 CO 0.07 -1.44 2.12 -0.08 0.70 0.00 0.00 175.17 176.55 2okd h GLU 86 N -0.72 0.00 -0.56 2.11 4.81 -1.91 -2.15 114.58 116.16 2okd h GLU 86 Ca -0.45 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.50 2okd h GLU 86 Cb 1.26 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.48 2okd h GLU 86 CO 0.64 0.04 0.15 -0.40 -0.73 0.00 0.00 179.01 178.71 2okd n ASP 87 N -4.45 3.01 -4.59 1.04 5.68 -1.26 -4.24 116.55 111.73 2okd n ASP 87 Ca -0.03 -3.68 -0.40 0.00 -0.50 0.00 0.00 54.79 50.18 2okd n ASP 87 Cb 0.12 -0.70 -0.08 0.00 -1.14 0.00 0.00 41.12 39.33 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 -3.24 3.23 -0.30 2.11 5.04 -0.81 -4.95 117.35 118.43 2okd s TYR 88 Ca 0.49 0.45 0.07 0.00 -2.44 0.00 0.00 57.07 55.63 2okd s TYR 88 Cb 0.43 -2.81 0.17 0.00 0.35 0.00 0.00 41.96 40.10 2okd s TYR 88 CO 0.04 -0.39 1.13 0.54 -1.34 0.00 0.00 175.55 175.53 2okd n ARG 89 N 5.63 2.72 -2.96 4.97 5.12 -1.26 -4.75 116.66 126.13 2okd n ARG 89 Ca -0.04 -1.92 -0.19 0.00 -1.93 0.00 0.00 57.85 53.76 2okd n ARG 89 Cb 0.49 -1.22 0.05 0.00 -1.16 0.00 0.00 32.46 30.63 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 -1.34 1.79 -0.26 -0.13 0.00 -1.26 -4.68 107.32 101.45 2okd s GLY 90 Ca 0.15 -1.95 -0.41 0.00 0.00 0.00 0.00 44.72 42.51 2okd s GLY 90 CO 0.06 -1.55 1.63 -2.01 0.00 0.00 0.00 173.10 171.23 2okd n ASN 91 N -2.21 1.97 -4.67 1.64 2.85 -1.26 -4.38 115.26 109.20 2okd n ASN 91 Ca 0.13 1.11 -0.43 0.00 -0.11 0.00 0.00 54.58 55.28 2okd n ASN 91 Cb 0.61 -1.09 -0.02 0.00 1.24 0.00 0.00 39.78 40.51 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 2.87 4.22 0.10 -1.44 1.01 0.13 -4.94 121.20 123.14 2okd s ILE 92 Ca 0.97 1.50 0.01 0.00 0.00 0.00 0.00 60.65 63.14 2okd s ILE 92 Cb -1.14 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 37.32 2okd s ILE 92 CO 0.66 -0.08 0.23 -0.83 0.00 0.00 0.00 174.94 174.92 2okd s GLY 93 N 1.86 1.98 -0.15 6.18 0.00 -1.26 -2.36 107.32 113.56 2okd s GLY 93 Ca 0.56 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 44.35 2okd s GLY 93 CO 0.18 -0.92 -0.08 0.14 0.00 0.00 0.00 173.10 172.42 2okd s VAL 94 N -1.60 1.23 -0.66 1.40 1.01 0.13 -4.91 120.40 117.00 2okd s VAL 94 Ca 0.34 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 2okd s VAL 94 Cb -0.12 -1.32 0.07 0.00 0.00 0.00 0.00 36.38 35.01 2okd s VAL 94 CO 0.28 0.24 0.97 -0.63 0.00 0.00 0.00 175.10 175.96 2okd s ILE 95 N 1.60 4.32 0.01 2.22 1.01 -1.26 0.86 121.20 129.96 2okd s ILE 95 Ca 0.02 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 2okd s ILE 95 Cb -0.14 -4.68 -0.05 0.00 0.01 0.00 0.00 42.46 37.59 2okd s ILE 95 CO -0.08 -1.45 0.69 -0.76 0.00 0.00 0.00 174.94 173.33 2okd s LEU 96 N 4.07 4.41 -0.15 2.97 1.43 -0.52 -0.55 118.68 130.35 2okd s LEU 96 Ca 0.22 1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 54.61 2okd s LEU 96 Cb -0.17 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 2okd s LEU 96 CO 0.10 0.02 -0.10 -0.63 0.23 0.00 0.00 176.35 175.98 2okd s ILE 97 N 0.04 3.23 -0.75 -0.59 1.01 0.25 -0.58 121.20 123.82 2okd s ILE 97 Ca 0.36 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 2okd s ILE 97 Cb -0.19 -2.39 0.10 0.00 0.01 0.00 0.00 42.46 39.99 2okd s ILE 97 CO 0.20 0.50 0.97 0.21 0.00 0.00 0.00 174.94 176.82 2okd s ASN 98 N 0.58 6.35 -0.24 3.58 2.47 -0.26 -1.55 114.94 125.88 2okd s ASN 98 Ca -0.06 -1.48 0.14 0.00 0.42 0.00 0.00 52.86 51.87 2okd s ASN 98 Cb -0.15 -2.39 0.82 0.00 -1.45 0.00 0.00 41.25 38.08 2okd s ASN 98 CO 0.03 -1.23 1.75 0.59 -3.72 0.00 0.00 177.10 174.52 2okd n ASN 99 N 6.97 5.74 -3.50 -4.21 3.02 -0.78 0.51 115.26 123.01 2okd n ASN 99 Ca 0.05 -2.94 -0.16 0.00 -0.03 0.00 0.00 54.58 51.50 2okd n ASN 99 Cb 0.46 -0.69 0.10 0.00 -0.61 0.00 0.00 39.78 39.04 2okd n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2okd n GLY 100 N 0.61 -0.00 0.01 7.41 0.00 -1.24 -4.81 105.19 107.16 2okd n GLY 100 Ca 0.28 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.50 2okd n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2okd n LYS 101 N -2.40 0.15 -4.39 1.61 4.76 -1.26 -4.40 118.16 112.22 2okd n LYS 101 Ca 0.11 -0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.28 2okd n LYS 101 Cb 0.38 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 31.95 2okd n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2okd n THR 103 N -0.15 2.19 -4.47 0.00 -1.04 -1.26 -4.45 114.28 105.10 2okd n THR 103 Ca -0.09 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.08 2okd n THR 103 Cb 0.58 -1.18 -0.14 0.00 -1.82 0.00 0.00 70.33 67.78 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 -1.17 2.90 -0.18 -1.42 5.36 0.30 -4.96 117.98 118.81 2okd s PHE 104 Ca 0.60 -0.65 -0.10 0.00 -0.96 0.00 0.00 56.93 55.82 2okd s PHE 104 Cb -0.61 -1.93 -0.05 0.00 -0.34 0.00 0.00 43.02 40.09 2okd s PHE 104 CO 0.59 -0.26 0.15 -0.80 -1.46 0.00 0.00 175.22 173.44 2okd s ASN 105 N 0.63 6.28 -0.21 6.13 0.01 -1.26 -0.34 114.94 126.18 2okd s ASN 105 Ca -0.05 0.32 -0.01 0.00 -0.71 0.00 0.00 52.86 52.40 2okd s ASN 105 Cb -0.15 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.43 2okd s ASN 105 CO 0.03 0.22 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.04 2okd s VAL 106 N 0.06 2.72 0.05 1.60 1.01 -0.23 -5.00 120.40 120.61 2okd s VAL 106 Ca 0.11 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2okd s VAL 106 Cb -0.11 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2okd s VAL 106 CO 0.00 0.40 0.34 0.20 0.00 0.00 0.00 175.10 176.04 2okd s ASN 107 N 1.36 6.58 -0.13 3.32 0.01 -1.26 -0.33 114.94 124.49 2okd s ASN 107 Ca 0.04 0.70 -0.38 0.00 -0.71 0.00 0.00 52.86 52.50 2okd s ASN 107 Cb -0.15 -2.14 -0.15 0.00 0.41 0.00 0.00 41.25 39.22 2okd s ASN 107 CO -0.07 0.21 1.67 0.41 -1.51 0.00 0.00 177.10 177.81 2okd n THR 108 N 1.03 0.26 -0.01 1.60 -1.04 -1.22 -1.43 114.28 113.46 2okd n THR 108 Ca -0.10 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2okd n THR 108 Cb 0.52 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 2okd n THR 108 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2okd n GLY 109 N 3.80 0.27 3.77 3.41 0.00 0.20 -4.97 105.19 111.66 2okd n GLY 109 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.32 6.22 -0.13 1.61 1.01 -0.52 -4.69 116.67 117.86 2okd s ASP 110 Ca 0.00 2.46 -0.29 0.00 0.71 0.00 0.00 52.55 55.43 2okd s ASP 110 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2okd s ASP 110 CO 0.00 -0.90 1.18 -0.60 0.21 0.00 0.00 175.17 175.07 2okd s ARG 111 N -2.47 4.30 -0.02 8.23 3.52 -1.26 -1.37 118.95 129.87 2okd s ARG 111 Ca 0.61 1.60 0.03 0.00 -0.13 0.00 0.00 55.73 57.84 2okd s ARG 111 Cb -0.33 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 2okd s ARG 111 CO 0.41 -0.56 0.04 0.44 -0.81 0.00 0.00 175.30 174.82 2okd n ILE 112 N 5.01 0.13 -3.65 4.11 -5.35 -0.09 -4.96 119.36 114.55 2okd n ILE 112 Ca 0.12 -0.12 -0.05 0.00 -0.27 0.00 0.00 62.75 62.44 2okd n ILE 112 Cb 0.46 -0.30 0.02 0.00 -1.74 0.00 0.00 39.64 38.08 2okd n ILE 112 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2okd n ALA 113 N -1.90 -1.56 -2.57 -1.28 0.00 -1.18 -4.57 120.51 107.45 2okd n ALA 113 Ca -0.03 -0.84 -0.20 0.00 0.00 0.00 0.00 53.44 52.36 2okd n ALA 113 Cb 0.37 0.60 -0.12 0.00 0.00 0.00 0.00 19.45 20.30 2okd n ALA 113 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2okd s GLN 114 N -2.05 1.00 -0.20 0.00 -2.07 -0.31 -1.07 119.66 114.95 2okd s GLN 114 Ca 0.14 -1.14 -0.04 0.00 -1.82 0.00 0.00 55.36 52.50 2okd s GLN 114 Cb -0.03 -1.04 -0.02 0.00 -1.09 0.00 0.00 33.01 30.83 2okd s GLN 114 CO 0.07 0.22 -0.03 -1.17 -1.32 0.00 0.00 175.29 173.06 2okd s LEU 115 N -2.08 3.04 -0.21 2.60 2.96 0.12 -0.99 118.68 124.12 2okd s LEU 115 Ca 0.05 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2okd s LEU 115 Cb -0.08 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2okd s LEU 115 CO 0.03 0.05 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.47 2okd s ILE 116 N 1.10 3.78 -0.85 6.68 1.01 -0.39 0.27 121.20 132.79 2okd s ILE 116 Ca 0.02 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 2okd s ILE 116 Cb -0.15 -2.72 0.05 0.00 0.01 0.00 0.00 42.46 39.65 2okd s ILE 116 CO 0.00 0.41 1.31 -0.31 0.00 0.00 0.00 174.94 176.35 2okd s TYR 117 N 1.24 2.47 -0.27 3.97 2.02 -1.26 -0.70 117.35 124.82 2okd s TYR 117 Ca 0.03 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 56.11 2okd s TYR 117 Cb -0.15 -4.60 -0.04 0.00 -0.40 0.00 0.00 41.96 36.77 2okd s TYR 117 CO 0.00 -1.95 0.33 -0.65 -1.57 0.00 0.00 175.55 171.72 2okd s GLN 118 N 5.09 4.01 0.07 -0.62 -0.21 0.03 -4.91 119.66 123.13 2okd s GLN 118 Ca 0.38 -0.04 -0.31 0.00 0.02 0.00 0.00 55.36 55.42 2okd s GLN 118 Cb -0.06 -3.65 -0.07 0.00 1.00 0.00 0.00 33.01 30.23 2okd s GLN 118 CO 0.03 -0.24 1.46 1.03 -2.12 0.00 0.00 175.29 175.46 2okd s ARG 119 N 1.96 4.27 0.33 2.91 0.52 -1.26 -2.20 118.95 125.48 2okd s ARG 119 Ca 0.13 2.12 0.02 0.00 -0.52 0.00 0.00 55.73 57.48 2okd s ARG 119 Cb -0.16 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 2okd s ARG 119 CO 0.10 -0.56 0.08 0.44 0.02 0.00 0.00 175.30 175.38 2okd n ILE 120 N 4.36 0.00 -4.05 1.52 -5.35 -0.64 -4.98 119.36 110.21 2okd n ILE 120 Ca 0.13 -1.82 -0.14 0.00 -0.27 0.00 0.00 62.75 60.65 2okd n ILE 120 Cb 0.42 0.58 -0.14 0.00 -1.74 0.00 0.00 39.64 38.76 2okd n ILE 120 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2okd s TYR 121 N -2.63 0.30 -0.81 4.28 5.04 -1.26 -4.70 117.35 117.56 2okd s TYR 121 Ca 0.12 -0.07 0.02 0.00 -2.44 0.00 0.00 57.07 54.70 2okd s TYR 121 Cb 0.01 -0.20 0.25 0.00 0.35 0.00 0.00 41.96 42.37 2okd s TYR 121 CO 0.08 -0.01 0.91 0.66 -1.34 0.00 0.00 175.55 175.85 2okd n TYR 122 N 2.96 3.44 -1.78 4.97 4.01 -1.26 -5.08 117.16 124.42 2okd n TYR 122 Ca -0.13 -3.80 -0.31 0.00 -0.16 0.00 0.00 57.90 53.51 2okd n TYR 122 Cb 0.59 -0.87 0.02 0.00 -0.31 0.00 0.00 39.34 38.77 2okd n TYR 122 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2okd s PRO 123 N -2.20 3.38 0.48 -0.72 0.04 -1.26 -5.03 135.00 129.69 2okd s PRO 123 Ca 0.34 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.01 2okd s PRO 123 Cb 0.05 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2okd s PRO 123 CO -0.03 -0.74 0.99 -2.00 0.04 0.00 0.00 177.00 175.27 2okd s GLU 124 N -5.09 3.97 0.02 4.56 2.12 -1.26 -5.07 118.70 117.94 2okd s GLU 124 Ca 0.56 1.19 0.02 0.00 0.36 0.00 0.00 54.97 57.09 2okd s GLU 124 Cb -0.12 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.10 2okd s GLU 124 CO 0.54 -0.27 0.03 -0.51 -0.54 0.00 0.00 175.26 174.51 2okd s LEU 125 N -3.53 3.63 -0.14 2.70 1.43 -1.26 -5.11 118.68 116.41 2okd s LEU 125 Ca 0.63 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 2okd s LEU 125 Cb -0.12 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 44.00 2okd s LEU 125 CO 0.20 0.25 0.17 -0.70 0.23 0.00 0.00 176.35 176.50 2okd s GLU 126 N -1.81 0.09 0.23 1.70 2.12 -1.26 -5.13 118.70 114.64 2okd s GLU 126 Ca 0.22 0.35 -0.30 0.00 0.36 0.00 0.00 54.97 55.61 2okd s GLU 126 Cb -0.12 -0.80 -0.09 0.00 0.26 0.00 0.00 34.13 33.38 2okd s GLU 126 CO 0.14 -0.47 1.34 -2.00 -0.54 0.00 0.00 175.26 173.73 2okd s GLU 127 N 2.28 4.35 0.39 4.30 2.12 -1.26 -5.03 118.70 125.85 2okd s GLU 127 Ca 0.04 2.15 0.04 0.00 0.36 0.00 0.00 54.97 57.56 2okd s GLU 127 Cb -0.14 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 2okd s GLU 127 CO -0.08 -0.28 0.14 0.14 -0.54 0.00 0.00 175.26 174.63 2okd s VAL 128 N -0.11 0.55 -0.12 3.70 -7.23 -1.26 -5.08 120.40 110.85 2okd s VAL 128 Ca 0.56 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.90 2okd s VAL 128 Cb -0.38 -2.40 -0.21 0.00 0.56 0.00 0.00 36.38 33.94 2okd s VAL 128 CO 0.42 0.00 0.53 0.00 -0.31 0.00 0.00 175.10 175.74 2okd n GLN 129 N -0.84 0.65 -3.75 4.82 6.02 -1.26 -4.98 117.38 118.04 2okd n GLN 129 Ca -0.04 0.11 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 2okd n GLN 129 Cb 0.65 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 2okd n GLN 129 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2okd s SER 130 N -5.56 -0.07 0.00 1.08 1.04 -1.26 -5.37 113.70 103.56 2okd s SER 130 Ca -0.06 -0.39 0.24 0.00 0.48 0.00 0.00 55.95 56.22 2okd s SER 130 Cb 0.08 0.39 0.24 0.00 0.10 0.00 0.00 66.02 66.83 2okd s SER 130 CO 0.83 -0.73 1.29 0.18 0.98 0.00 0.00 173.24 175.79