#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkd s ILE 6 N 0.00 5.24 -0.31 6.31 1.01 -1.26 -4.52 121.20 127.66 2pkd s ILE 6 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.80 2pkd s ILE 6 Cb 0.00 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.85 2pkd s ILE 6 CO 0.00 0.22 1.15 0.12 0.00 0.00 0.00 174.94 176.43 2pkd s PHE 7 N 1.73 3.00 -0.11 3.97 2.19 -0.91 -4.81 117.98 123.04 2pkd s PHE 7 Ca 0.13 1.08 -0.27 0.00 0.33 0.00 0.00 56.93 58.19 2pkd s PHE 7 Cb -0.15 -3.78 -0.02 0.00 -1.31 0.00 0.00 43.02 37.76 2pkd s PHE 7 CO 0.09 -1.08 0.91 0.99 1.83 0.00 0.00 175.22 177.96 2pkd s THR 8 N 3.87 4.86 -0.12 0.12 2.01 -1.26 -0.15 115.64 124.96 2pkd s THR 8 Ca 0.49 1.84 0.02 0.00 0.31 0.00 0.00 61.69 64.35 2pkd s THR 8 Cb -0.13 -4.22 -0.00 0.00 0.01 0.00 0.00 72.50 68.15 2pkd s THR 8 CO 0.18 0.06 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.28 2pkd s VAL 9 N 1.79 2.34 -0.11 3.82 1.01 -0.25 -4.95 120.40 124.06 2pkd s VAL 9 Ca 0.44 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2pkd s VAL 9 Cb -0.18 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2pkd s VAL 9 CO 0.17 0.54 0.07 0.20 0.00 0.00 0.00 175.10 176.09 2pkd s ASN 10 N 0.52 5.80 0.30 3.32 0.01 -1.26 -1.33 114.94 122.30 2pkd s ASN 10 Ca -0.13 0.29 0.03 0.00 -0.71 0.00 0.00 52.86 52.34 2pkd s ASN 10 Cb -0.17 -1.78 -0.05 0.00 0.41 0.00 0.00 41.25 39.66 2pkd s ASN 10 CO 0.05 0.38 0.08 -0.83 -1.51 0.00 0.00 177.10 175.27 2pkd s GLY 11 N -0.89 1.98 -0.19 0.66 0.00 0.26 -4.93 107.32 104.22 2pkd s GLY 11 Ca 0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 44.72 42.93 2pkd s GLY 11 CO 0.03 -1.72 -0.08 -0.42 0.00 0.00 0.00 173.10 170.92 2pkd s ILE 12 N -3.49 3.26 -0.06 0.90 1.09 -1.26 -0.71 121.20 120.93 2pkd s ILE 12 Ca 0.36 -0.55 -0.37 0.00 -1.10 0.00 0.00 60.65 58.99 2pkd s ILE 12 Cb 0.08 -2.44 -0.18 0.00 -1.06 0.00 0.00 42.46 38.85 2pkd s ILE 12 CO 0.15 0.47 1.04 -0.11 -0.10 0.00 0.00 174.94 176.38 2pkd n LEU 13 N 4.29 0.14 0.00 2.97 7.94 0.15 0.45 117.00 132.94 2pkd n LEU 13 Ca -0.18 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 2pkd n LEU 13 Cb 0.51 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.63 2pkd n LEU 13 CO 0.30 -1.61 0.00 0.61 -1.11 0.00 0.00 177.39 175.58 2pkd n GLY 14 N 1.66 2.88 0.00 -3.96 0.00 0.49 -4.68 105.19 101.58 2pkd n GLY 14 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2pkd n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pkd n GLU 15 N -2.00 2.05 -3.97 1.61 1.02 0.17 -3.99 120.64 115.55 2pkd n GLU 15 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2pkd n GLU 15 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2pkd n GLU 15 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2pkd s SER 16 N -0.79 6.13 0.01 1.62 0.01 -1.26 -1.14 113.70 118.28 2pkd s SER 16 Ca 0.00 0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.42 2pkd s SER 16 Cb 0.00 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 2pkd s SER 16 CO 0.00 0.13 -0.03 0.54 0.41 0.00 0.00 173.24 174.29 2pkd s VAL 17 N -1.57 0.16 -0.19 3.43 0.11 -0.67 -4.48 120.40 117.20 2pkd s VAL 17 Ca 0.33 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.85 2pkd s VAL 17 Cb -0.12 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2pkd s VAL 17 CO 0.27 -0.19 0.07 -0.89 -3.33 0.00 0.00 175.10 171.02 2pkd s THR 18 N -0.66 4.78 -0.13 5.04 2.01 -1.26 -1.50 115.64 123.92 2pkd s THR 18 Ca -0.06 -0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 2pkd s THR 18 Cb -0.05 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 2pkd s THR 18 CO -0.00 0.45 0.61 -0.36 -0.69 0.00 0.00 174.62 174.63 2pkd s PHE 19 N 0.46 3.48 -0.09 4.92 0.08 0.23 -4.98 117.98 122.08 2pkd s PHE 19 Ca 0.03 1.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.82 2pkd s PHE 19 Cb -0.13 -2.74 -0.02 0.00 -0.57 0.00 0.00 43.02 39.57 2pkd s PHE 19 CO 0.01 0.01 1.03 -1.25 -0.10 0.00 0.00 175.22 174.92 2pkd s PRO 20 N 1.19 4.42 -0.03 0.24 0.04 -1.26 -2.98 135.00 136.61 2pkd s PRO 20 Ca 0.31 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2pkd s PRO 20 Cb -0.16 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 2pkd s PRO 20 CO 0.13 -0.32 -0.03 0.28 0.04 0.00 0.00 177.00 177.11 2pkd n VAL 21 N 4.51 0.19 -3.55 -0.36 0.31 -1.26 -4.99 118.33 113.18 2pkd n VAL 21 Ca 0.09 -0.07 -0.25 0.00 -0.01 0.00 0.00 64.34 64.10 2pkd n VAL 21 Cb 0.48 -0.64 0.06 0.00 -0.91 0.00 0.00 33.84 32.84 2pkd n VAL 21 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2pkd n ASN 22 N -2.56 -6.06 -4.68 4.52 5.03 -1.21 -4.89 115.26 105.41 2pkd n ASN 22 Ca -0.06 -0.53 -0.46 0.00 0.87 0.00 0.00 54.58 54.40 2pkd n ASN 22 Cb 0.56 -4.80 -0.04 0.00 -1.02 0.00 0.00 39.78 34.48 2pkd n ASN 22 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2pkd n ILE 23 N -4.86 0.60 0.07 2.41 5.41 -0.95 -4.92 119.36 117.12 2pkd n ILE 23 Ca -0.01 -0.11 -0.09 0.00 1.00 0.00 0.00 62.75 63.54 2pkd n ILE 23 Cb 0.56 -2.00 -0.06 0.00 -0.71 0.00 0.00 39.64 37.43 2pkd n ILE 23 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2pkd h GLN 24 N 9.45 -0.25 -3.39 0.38 5.75 -1.91 -3.40 115.11 121.74 2pkd h GLN 24 Ca -0.49 0.02 -0.69 0.00 -0.15 0.00 0.00 58.65 57.34 2pkd h GLN 24 Cb 1.26 0.06 -0.36 0.00 1.07 0.00 0.00 27.48 29.50 2pkd h GLN 24 CO 0.94 0.09 -0.29 -1.21 -2.65 0.00 0.00 178.83 175.72 2pkd s GLU 25 N -3.12 2.82 0.50 1.69 0.41 -1.26 -4.99 118.70 114.75 2pkd s GLU 25 Ca -0.10 -2.96 0.29 0.00 -0.41 0.00 0.00 54.97 51.80 2pkd s GLU 25 Cb 0.00 -3.77 1.08 0.00 -1.78 0.00 0.00 34.13 29.66 2pkd s GLU 25 CO 0.37 -1.22 1.88 -1.00 -0.49 0.00 0.00 175.26 174.80 2pkd h PRO 26 N 6.37 0.00 0.00 0.39 0.13 -1.86 -3.10 132.00 133.93 2pkd h PRO 26 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2pkd h PRO 26 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2pkd h PRO 26 CO 0.77 0.06 0.00 2.89 -0.23 0.00 0.00 178.00 181.49 2pkd n ARG 27 N -3.17 0.72 0.00 0.86 -4.01 -1.26 -2.07 116.66 107.74 2pkd n ARG 27 Ca 0.01 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 56.94 2pkd n ARG 27 Cb 0.38 -1.45 0.18 0.00 -3.04 0.00 0.00 32.46 28.53 2pkd n ARG 27 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2pkd n GLN 28 N -0.95 0.46 -2.35 2.89 6.02 -1.17 -4.89 117.38 117.39 2pkd n GLN 28 Ca 0.16 -0.32 -0.43 0.00 -0.01 0.00 0.00 57.00 56.40 2pkd n GLN 28 Cb 0.07 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 2pkd n GLN 28 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pkd s VAL 29 N -2.76 4.15 -0.18 5.09 1.01 -0.88 -0.37 120.40 126.46 2pkd s VAL 29 Ca 0.16 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 2pkd s VAL 29 Cb 0.18 -3.93 -0.19 0.00 0.00 0.00 0.00 36.38 32.44 2pkd s VAL 29 CO 0.65 -0.17 0.31 0.11 0.00 0.00 0.00 175.10 176.01 2pkd h LYS 30 N 8.61 0.00 -1.81 2.72 1.57 -1.39 -3.41 116.57 122.87 2pkd h LYS 30 Ca -0.28 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2pkd h LYS 30 Cb 1.11 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.19 2pkd h LYS 30 CO 0.98 0.90 0.29 -1.50 -0.57 0.00 0.00 179.45 179.54 2pkd s ILE 31 N -2.29 0.00 -0.17 1.86 2.07 -1.18 -4.42 121.20 117.07 2pkd s ILE 31 Ca -0.25 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.00 2pkd s ILE 31 Cb 0.03 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.63 2pkd s ILE 31 CO 0.57 0.00 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.81 2pkd s ILE 32 N 0.24 2.51 -0.27 2.00 1.01 -0.46 -0.42 121.20 125.81 2pkd s ILE 32 Ca 0.01 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 2pkd s ILE 32 Cb -0.05 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 2pkd s ILE 32 CO -0.02 0.51 0.13 0.00 0.00 0.00 0.00 174.94 175.56 2pkd s ALA 33 N 1.07 3.30 -0.14 9.38 0.00 -0.58 -1.11 121.76 133.68 2pkd s ALA 33 Ca -0.01 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 2pkd s ALA 33 Cb -0.14 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 2pkd s ALA 33 CO -0.05 -0.61 0.16 -1.58 0.00 0.00 0.00 175.76 173.68 2pkd s TRP 34 N 1.66 3.54 0.05 0.00 0.52 -0.75 -0.04 118.94 123.93 2pkd s TRP 34 Ca 0.06 0.49 -0.05 0.00 0.02 0.00 0.00 56.10 56.63 2pkd s TRP 34 Cb -0.16 -2.04 -0.02 0.00 -1.15 0.00 0.00 33.47 30.10 2pkd s TRP 34 CO 0.07 0.57 0.08 0.95 0.02 0.00 0.00 176.95 178.64 2pkd s THR 35 N -0.54 0.15 0.00 2.01 -4.23 0.13 -2.47 115.64 110.70 2pkd s THR 35 Ca 0.13 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2pkd s THR 35 Cb -0.12 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.60 2pkd s THR 35 CO 0.03 -0.70 0.00 -0.24 -0.54 0.00 0.00 174.62 173.16 2pkd n SER 36 N 0.46 0.00 0.17 3.99 2.88 -1.26 -0.60 113.62 119.25 2pkd n SER 36 Ca -0.17 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.43 2pkd n SER 36 Cb 0.60 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.59 2pkd n SER 36 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2pkd h LYS 37 N 0.00 0.17 -5.10 -1.46 1.57 -1.93 -3.44 116.57 106.39 2pkd h LYS 37 Ca 0.00 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.16 2pkd h LYS 37 Cb 0.00 -0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.14 2pkd h LYS 37 CO 0.00 0.17 -0.51 0.95 -0.57 0.00 0.00 179.45 179.49 2pkd s THR 38 N -5.07 0.79 0.78 -0.16 -4.23 -1.26 -5.13 115.64 101.36 2pkd s THR 38 Ca -0.06 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 2pkd s THR 38 Cb 0.17 -2.28 0.03 0.00 1.34 0.00 0.00 72.50 71.75 2pkd s THR 38 CO 0.70 0.00 0.87 -1.20 -0.54 0.00 0.00 174.62 174.44 2pkd n SER 39 N -1.31 -0.09 0.02 3.99 7.64 -1.26 -4.64 113.62 117.98 2pkd n SER 39 Ca -0.11 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2pkd n SER 39 Cb 0.66 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2pkd n SER 39 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2pkd n VAL 40 N -2.90 0.56 -3.57 0.44 0.31 -1.03 -4.31 118.33 107.83 2pkd n VAL 40 Ca 0.12 0.19 -0.06 0.00 -0.01 0.00 0.00 64.34 64.57 2pkd n VAL 40 Cb 0.50 -1.26 -0.02 0.00 -0.91 0.00 0.00 33.84 32.16 2pkd n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pkd s ALA 41 N -2.00 -1.94 0.29 3.52 0.00 -1.22 -1.08 121.76 119.33 2pkd s ALA 41 Ca 0.00 1.16 0.12 0.00 0.00 0.00 0.00 51.96 53.24 2pkd s ALA 41 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 2pkd s ALA 41 CO 0.00 -0.70 -0.18 1.52 0.00 0.00 0.00 175.76 176.40 2pkd s TYR 42 N -2.81 2.32 -0.07 0.00 1.13 0.10 -1.81 117.35 116.22 2pkd s TYR 42 Ca 0.08 -0.34 -0.00 0.00 -1.41 0.00 0.00 57.07 55.40 2pkd s TYR 42 Cb -0.01 -1.04 0.02 0.00 -1.10 0.00 0.00 41.96 39.84 2pkd s TYR 42 CO -0.06 0.70 -0.04 0.08 -2.51 0.00 0.00 175.55 173.72 2pkd s VAL 43 N -2.51 0.65 0.22 -3.49 1.01 -0.27 -0.60 120.40 115.41 2pkd s VAL 43 Ca 0.30 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.26 2pkd s VAL 43 Cb -0.04 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 2pkd s VAL 43 CO 0.15 0.28 -0.16 0.42 0.00 0.00 0.00 175.10 175.80 2pkd s THR 44 N 1.44 1.91 0.43 3.92 -4.23 -0.11 -1.35 115.64 117.65 2pkd s THR 44 Ca -0.02 -2.22 -0.23 0.00 -1.18 0.00 0.00 61.69 58.04 2pkd s THR 44 Cb -0.13 -2.07 -0.11 0.00 1.34 0.00 0.00 72.50 71.52 2pkd s THR 44 CO -0.03 -0.52 0.77 -0.81 -0.54 0.00 0.00 174.62 173.49 2pkd n PRO 45 N -0.34 0.91 0.00 3.99 -0.04 -1.26 -0.19 135.00 138.06 2pkd n PRO 45 Ca -0.08 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2pkd n PRO 45 Cb 0.60 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 2pkd n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pkd n GLY 46 N 1.50 4.33 0.32 0.55 0.00 -1.19 -4.39 105.19 106.31 2pkd n GLY 46 Ca 0.11 -1.92 0.16 0.00 0.00 0.00 0.00 46.02 44.37 2pkd n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pkd h ASP 47 N 0.00 0.07 0.00 1.61 5.19 -1.96 -3.45 116.42 117.88 2pkd h ASP 47 Ca 0.00 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2pkd h ASP 47 Cb 0.00 0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2pkd h ASP 47 CO 0.00 -0.19 0.00 -0.24 -3.12 0.00 0.00 179.24 175.69 2pkd n SER 48 N -5.22 0.00 0.00 6.45 2.88 -1.26 -5.06 113.62 111.41 2pkd n SER 48 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2pkd n SER 48 Cb 0.78 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 2pkd n SER 48 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2pkd n GLU 49 N 0.00 4.39 -0.19 -1.46 1.02 -1.26 -4.74 120.64 118.39 2pkd n GLU 49 Ca 0.00 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 2pkd n GLU 49 Cb 0.00 -0.33 0.21 0.00 -0.02 0.00 0.00 31.44 31.30 2pkd n GLU 49 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2pkd n THR 50 N -0.63 0.56 -3.20 2.62 -2.24 -1.26 -3.90 114.28 106.23 2pkd n THR 50 Ca 0.00 -0.78 -0.23 0.00 -2.27 0.00 0.00 64.05 60.77 2pkd n THR 50 Cb 0.00 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.09 2pkd n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkd n ALA 51 N 1.38 2.63 -1.55 6.98 0.00 -1.26 -3.53 120.51 125.17 2pkd n ALA 51 Ca 0.18 -3.64 -0.36 0.00 0.00 0.00 0.00 53.44 49.62 2pkd n ALA 51 Cb 0.57 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 19.25 2pkd n ALA 51 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pkd n PRO 52 N 0.91 0.82 -3.87 0.00 -0.02 -1.26 -3.16 135.00 128.43 2pkd n PRO 52 Ca 0.24 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 2pkd n PRO 52 Cb 0.55 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 2pkd n PRO 52 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pkd s VAL 53 N -1.59 5.15 -0.20 -1.45 1.01 0.73 -4.78 120.40 119.27 2pkd s VAL 53 Ca 0.79 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.80 2pkd s VAL 53 Cb -0.37 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2pkd s VAL 53 CO 0.45 0.47 0.02 -0.69 0.00 0.00 0.00 175.10 175.35 2pkd s VAL 54 N 0.18 4.16 -0.23 2.92 1.01 -1.26 -0.94 120.40 126.24 2pkd s VAL 54 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2pkd s VAL 54 Cb -0.12 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.40 2pkd s VAL 54 CO -0.00 0.43 -0.08 -0.89 0.00 0.00 0.00 175.10 174.55 2pkd s THR 55 N 0.90 2.82 0.20 3.92 2.01 0.23 -4.97 115.64 120.75 2pkd s THR 55 Ca 0.02 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 2pkd s THR 55 Cb -0.14 -2.38 -0.08 0.00 0.01 0.00 0.00 72.50 69.91 2pkd s THR 55 CO 0.02 0.29 0.90 -0.69 -0.69 0.00 0.00 174.62 174.45 2pkd s VAL 56 N 1.34 4.22 -0.02 3.82 1.01 -1.26 0.02 120.40 129.53 2pkd s VAL 56 Ca 0.02 1.98 0.03 0.00 0.00 0.00 0.00 61.98 64.00 2pkd s VAL 56 Cb -0.16 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 31.98 2pkd s VAL 56 CO -0.06 0.48 0.97 0.35 0.00 0.00 0.00 175.10 176.84 2pkd n THR 57 N 1.74 1.01 -3.73 3.92 -2.24 -0.24 -4.91 114.28 109.82 2pkd n THR 57 Ca -0.02 -1.06 -0.12 0.00 -2.27 0.00 0.00 64.05 60.58 2pkd n THR 57 Cb 0.48 0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 69.04 2pkd n THR 57 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2pkd s HIS 58 N -1.14 -0.40 0.38 4.78 5.65 -1.25 -4.80 115.29 118.50 2pkd s HIS 58 Ca 0.04 0.94 0.19 0.00 0.25 0.00 0.00 55.06 56.47 2pkd s HIS 58 Cb 0.04 0.13 1.15 0.00 -1.18 0.00 0.00 32.58 32.72 2pkd s HIS 58 CO 0.00 -0.23 1.69 0.07 -0.65 0.00 0.00 174.74 175.62 2pkd h ARG 59 N 6.56 0.31 -0.29 2.88 0.11 -1.93 0.05 114.38 122.08 2pkd h ARG 59 Ca -0.34 -0.02 0.08 0.00 0.10 0.00 0.00 59.98 59.81 2pkd h ARG 59 Cb 1.18 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 2pkd h ARG 59 CO 0.33 0.21 0.39 -0.91 0.10 0.00 0.00 179.97 180.08 2pkd h ASN 60 N 0.32 0.00 -0.15 0.08 2.35 -1.97 -2.02 115.58 114.19 2pkd h ASN 60 Ca 0.70 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.45 2pkd h ASN 60 Cb 1.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.14 2pkd h ASN 60 CO -0.45 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.11 2pkd n TYR 61 N -3.53 0.19 -1.67 1.19 4.02 0.00 -4.98 117.16 112.39 2pkd n TYR 61 Ca 0.04 -0.22 -0.44 0.00 -0.01 0.00 0.00 57.90 57.27 2pkd n TYR 61 Cb 0.53 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 2pkd n TYR 61 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pkd n TYR 62 N 0.52 2.12 -0.75 -0.72 0.53 -0.76 -1.58 117.16 116.51 2pkd n TYR 62 Ca 0.08 0.50 0.00 0.00 -1.02 0.00 0.00 57.90 57.46 2pkd n TYR 62 Cb 0.33 -2.43 0.00 0.00 -1.03 0.00 0.00 39.34 36.21 2pkd n TYR 62 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 2pkd n GLU 63 N 1.44 -0.92 -0.13 -0.72 1.02 -1.26 -4.82 120.64 115.26 2pkd n GLU 63 Ca 0.09 0.23 0.06 0.00 -0.02 0.00 0.00 57.16 57.52 2pkd n GLU 63 Cb 0.33 -4.66 0.12 0.00 -0.02 0.00 0.00 31.44 27.21 2pkd n GLU 63 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pkd n ARG 64 N -0.64 2.24 -4.94 3.49 1.74 -0.62 -4.98 116.66 112.96 2pkd n ARG 64 Ca 0.00 -1.81 -0.29 0.00 -0.77 0.00 0.00 57.85 54.98 2pkd n ARG 64 Cb 0.23 -1.25 -0.17 0.00 -1.02 0.00 0.00 32.46 30.25 2pkd n ARG 64 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pkd s ILE 65 N -0.98 1.65 0.03 0.55 -1.09 -1.25 -1.62 121.20 118.48 2pkd s ILE 65 Ca 0.20 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2pkd s ILE 65 Cb 0.11 -1.45 -0.02 0.00 -1.58 0.00 0.00 42.46 39.52 2pkd s ILE 65 CO 0.15 0.47 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.28 2pkd s HIS 66 N 0.45 0.44 0.03 3.97 3.76 -0.78 -4.98 115.29 118.18 2pkd s HIS 66 Ca -0.16 -0.54 0.07 0.00 -0.15 0.00 0.00 55.06 54.28 2pkd s HIS 66 Cb -0.17 -0.29 -0.02 0.00 1.11 0.00 0.00 32.58 33.21 2pkd s HIS 66 CO 0.06 -0.15 -0.21 0.00 -0.85 0.00 0.00 174.74 173.59 2pkd s ALA 67 N -1.56 1.79 -0.18 -1.40 0.00 -1.26 -0.77 121.76 118.38 2pkd s ALA 67 Ca -0.12 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 2pkd s ALA 67 Cb -0.09 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2pkd s ALA 67 CO -0.01 0.41 0.13 -0.51 0.00 0.00 0.00 175.76 175.79 2pkd s LEU 68 N -0.98 4.25 0.56 0.00 1.43 -0.52 -4.59 118.68 118.83 2pkd s LEU 68 Ca 0.08 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.44 2pkd s LEU 68 Cb -0.09 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.07 2pkd s LEU 68 CO 0.01 0.23 0.83 -0.83 0.23 0.00 0.00 176.35 176.83 2pkd s GLY 69 N 0.03 1.66 -0.03 -3.19 0.00 -1.23 -0.62 107.32 103.95 2pkd s GLY 69 Ca 0.10 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 43.91 2pkd s GLY 69 CO -0.01 -0.69 1.07 -1.55 0.00 0.00 0.00 173.10 171.92 2pkd n PRO 70 N -2.45 1.78 -0.00 2.90 -0.04 -1.25 -4.78 135.00 131.16 2pkd n PRO 70 Ca 0.05 -0.88 0.09 0.00 -0.04 0.00 0.00 63.50 62.71 2pkd n PRO 70 Cb 0.59 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.55 2pkd n PRO 70 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pkd n ASN 71 N 0.18 0.84 -0.52 3.54 0.23 -1.21 -4.76 115.26 113.56 2pkd n ASN 71 Ca 0.08 -0.82 -0.07 0.00 -0.53 0.00 0.00 54.58 53.24 2pkd n ASN 71 Cb 0.32 1.10 -0.03 0.00 -2.08 0.00 0.00 39.78 39.09 2pkd n ASN 71 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2pkd n TYR 72 N -1.51 0.00 -1.64 -2.53 4.02 0.21 -2.24 117.16 113.47 2pkd n TYR 72 Ca 0.03 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.48 2pkd n TYR 72 Cb 0.31 -1.56 -0.01 0.00 -0.02 0.00 0.00 39.34 38.05 2pkd n TYR 72 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2pkd n ASN 73 N 0.30 2.07 -4.76 7.72 3.02 -1.24 -4.67 115.26 117.70 2pkd n ASN 73 Ca -0.07 1.18 -0.34 0.00 -0.03 0.00 0.00 54.58 55.33 2pkd n ASN 73 Cb 0.28 -1.38 -0.08 0.00 -0.61 0.00 0.00 39.78 37.99 2pkd n ASN 73 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2pkd s LEU 74 N -0.17 3.85 -0.12 3.41 2.96 -1.16 -1.44 118.68 126.01 2pkd s LEU 74 Ca 0.59 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 2pkd s LEU 74 Cb -0.65 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 2pkd s LEU 74 CO 0.59 0.31 -0.18 -0.69 -1.32 0.00 0.00 176.35 175.06 2pkd s VAL 75 N -1.09 2.54 -0.21 1.68 1.01 0.05 -0.60 120.40 123.78 2pkd s VAL 75 Ca 0.19 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2pkd s VAL 75 Cb -0.12 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2pkd s VAL 75 CO 0.10 0.54 0.02 -0.63 0.00 0.00 0.00 175.10 175.13 2pkd s ILE 76 N 0.40 4.10 0.46 2.22 1.01 -0.56 -1.86 121.20 126.97 2pkd s ILE 76 Ca -0.14 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.33 2pkd s ILE 76 Cb -0.17 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2pkd s ILE 76 CO 0.06 0.41 0.44 -0.94 0.00 0.00 0.00 174.94 174.91 2pkd s SER 77 N 1.11 4.99 -1.35 3.58 1.04 -0.64 -1.66 113.70 120.77 2pkd s SER 77 Ca 0.03 -0.85 -0.18 0.00 0.48 0.00 0.00 55.95 55.43 2pkd s SER 77 Cb -0.14 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.73 2pkd s SER 77 CO 0.02 -0.83 0.43 0.47 0.98 0.00 0.00 173.24 174.31 2pkd n ASP 78 N -1.68 -2.05 -4.75 7.02 9.92 -0.73 -4.85 116.55 119.43 2pkd n ASP 78 Ca 0.04 -1.24 -0.42 0.00 -0.53 0.00 0.00 54.79 52.64 2pkd n ASP 78 Cb 0.62 -1.93 -0.01 0.00 -0.64 0.00 0.00 41.12 39.16 2pkd n ASP 78 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2pkd n LEU 79 N -4.76 4.39 -4.57 0.64 4.77 -0.29 -4.66 117.00 112.53 2pkd n LEU 79 Ca -0.21 1.17 -0.26 0.00 -0.03 0.00 0.00 56.01 56.69 2pkd n LEU 79 Cb 0.63 -1.59 -0.09 0.00 -2.33 0.00 0.00 43.42 40.04 2pkd n LEU 79 CO 0.78 0.10 -0.40 -0.13 -1.33 0.00 0.00 177.39 176.41 2pkd s ARG 80 N -0.99 2.05 0.47 3.23 0.52 -1.26 -0.38 118.95 122.59 2pkd s ARG 80 Ca 0.61 -1.36 0.22 0.00 -0.52 0.00 0.00 55.73 54.68 2pkd s ARG 80 Cb -0.50 -2.11 1.23 0.00 0.52 0.00 0.00 34.95 34.09 2pkd s ARG 80 CO 0.53 0.41 1.91 0.52 0.02 0.00 0.00 175.30 178.69 2pkd h MET 81 N 2.63 0.23 -0.00 3.54 2.86 -1.96 0.10 114.93 122.33 2pkd h MET 81 Ca -0.46 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2pkd h MET 81 Cb 1.22 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2pkd h MET 81 CO 0.56 0.15 -0.01 0.39 1.06 0.00 0.00 176.91 179.06 2pkd n GLU 82 N -4.42 0.54 0.28 1.72 4.71 -1.26 -2.93 120.64 119.28 2pkd n GLU 82 Ca 0.16 -0.02 0.18 0.00 -0.01 0.00 0.00 57.16 57.47 2pkd n GLU 82 Cb 0.69 -1.50 0.74 0.00 -1.01 0.00 0.00 31.44 30.36 2pkd n GLU 82 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2pkd h ASP 83 N 0.05 0.00 -3.24 1.62 3.32 -1.18 -3.46 116.42 113.52 2pkd h ASP 83 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 2pkd h ASP 83 Cb 0.25 0.00 0.22 0.00 0.22 0.00 0.00 39.33 40.01 2pkd h ASP 83 CO 0.00 0.00 -0.18 0.00 -1.72 0.00 0.00 179.24 177.34 2pkd n ALA 84 N -2.08 -2.80 0.00 3.45 0.00 -1.15 -4.89 120.51 113.04 2pkd n ALA 84 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.36 2pkd n ALA 84 Cb 0.28 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2pkd n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkd n GLY 85 N 1.10 -1.75 3.74 0.00 0.00 0.07 -4.93 105.19 103.42 2pkd n GLY 85 Ca 0.04 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 2pkd n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pkd s ASP 86 N -4.00 7.39 0.13 1.61 -0.00 -1.26 -0.65 116.67 119.88 2pkd s ASP 86 Ca 0.00 1.66 0.08 0.00 -0.00 0.00 0.00 52.55 54.29 2pkd s ASP 86 Cb 0.00 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.34 2pkd s ASP 86 CO 0.00 -0.01 -0.19 -0.31 -0.00 0.00 0.00 175.17 174.66 2pkd s TYR 87 N -0.14 1.75 -0.03 4.23 1.51 -0.69 -4.28 117.35 119.70 2pkd s TYR 87 Ca 0.43 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 2pkd s TYR 87 Cb -0.22 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.71 2pkd s TYR 87 CO 0.27 0.24 0.07 0.21 -1.11 0.00 0.00 175.55 175.24 2pkd s LYS 88 N -2.31 0.08 -0.09 -0.62 2.20 0.23 -1.10 119.74 118.13 2pkd s LYS 88 Ca 0.10 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.83 2pkd s LYS 88 Cb -0.08 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.29 2pkd s LYS 88 CO 0.05 -0.01 -0.17 0.00 -0.36 0.00 0.00 175.35 174.86 2pkd s ALA 89 N 0.05 1.69 -0.39 3.13 0.00 -0.53 -0.69 121.76 125.01 2pkd s ALA 89 Ca -0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 2pkd s ALA 89 Cb -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.43 2pkd s ALA 89 CO 0.00 0.10 0.22 -0.51 0.00 0.00 0.00 175.76 175.57 2pkd s ASP 90 N 0.68 5.64 -0.42 0.00 -0.00 0.95 -1.66 116.67 121.86 2pkd s ASP 90 Ca -0.13 -1.24 -0.20 0.00 -0.00 0.00 0.00 52.55 50.98 2pkd s ASP 90 Cb -0.16 -1.99 0.02 0.00 -0.00 0.00 0.00 42.92 40.79 2pkd s ASP 90 CO 0.03 -0.45 0.58 -0.63 -0.00 0.00 0.00 175.17 174.71 2pkd s ILE 91 N 1.48 4.91 -0.26 0.77 1.01 0.18 -1.52 121.20 127.77 2pkd s ILE 91 Ca 0.02 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 2pkd s ILE 91 Cb -0.21 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2pkd s ILE 91 CO 0.04 -0.49 0.25 0.20 0.00 0.00 0.00 174.94 174.94 2pkd s ASN 92 N 1.92 6.15 0.31 3.58 0.01 0.44 -1.04 114.94 126.31 2pkd s ASN 92 Ca 0.20 0.15 0.09 0.00 -0.71 0.00 0.00 52.86 52.59 2pkd s ASN 92 Cb -0.15 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 2pkd s ASN 92 CO 0.17 -0.06 0.02 0.42 -1.51 0.00 0.00 177.10 176.14 2pkd s THR 93 N 1.61 2.97 -0.22 1.60 -4.23 -0.46 -0.98 115.64 115.94 2pkd s THR 93 Ca 0.10 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 2pkd s THR 93 Cb -0.15 -2.81 0.20 0.00 1.34 0.00 0.00 72.50 71.08 2pkd s THR 93 CO 0.09 -0.27 1.73 1.67 -0.54 0.00 0.00 174.62 177.30 2pkd n GLN 94 N -0.95 1.56 -3.65 3.99 7.27 0.50 -4.57 117.38 121.54 2pkd n GLN 94 Ca -0.05 -1.19 -0.02 0.00 0.07 0.00 0.00 57.00 55.82 2pkd n GLN 94 Cb 0.61 -1.46 -0.04 0.00 2.41 0.00 0.00 30.24 31.75 2pkd n GLN 94 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2pkd s ALA 95 N -1.35 -2.14 0.12 1.69 0.00 -1.26 -5.08 121.76 113.75 2pkd s ALA 95 Ca 0.23 1.89 -0.33 0.00 0.00 0.00 0.00 51.96 53.76 2pkd s ALA 95 Cb 0.19 -1.59 -0.18 0.00 0.00 0.00 0.00 23.12 21.53 2pkd s ALA 95 CO 0.02 -0.22 0.75 -3.47 0.00 0.00 0.00 175.76 172.83 2pkd n ASP 96 N 0.58 -0.72 -0.57 0.00 4.64 -1.26 -1.74 116.55 117.48 2pkd n ASP 96 Ca -0.00 1.14 0.04 0.00 -1.38 0.00 0.00 54.79 54.58 2pkd n ASP 96 Cb 0.59 -0.94 0.12 0.00 -1.04 0.00 0.00 41.12 39.84 2pkd n ASP 96 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2pkd n PRO 97 N 1.21 1.74 0.00 -0.67 -0.05 -1.26 -5.01 135.00 130.95 2pkd n PRO 97 Ca 0.19 -0.93 0.00 0.00 -0.05 0.00 0.00 63.50 62.71 2pkd n PRO 97 Cb 0.18 -1.32 0.00 0.00 -0.05 0.00 0.00 33.50 32.31 2pkd n PRO 97 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2pkd n TYR 98 N 0.22 0.00 -3.92 0.54 4.02 -0.71 -4.79 117.16 112.51 2pkd n TYR 98 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.75 2pkd n TYR 98 Cb 0.29 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.44 2pkd n TYR 98 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2pkd s THR 99 N -0.04 0.52 -0.10 -0.72 2.01 -1.25 -1.35 115.64 114.70 2pkd s THR 99 Ca 0.00 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.00 2pkd s THR 99 Cb 0.00 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 2pkd s THR 99 CO 0.00 0.26 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.15 2pkd s THR 100 N 1.58 2.89 -0.18 -0.82 2.01 -0.20 -4.93 115.64 115.99 2pkd s THR 100 Ca -0.00 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 2pkd s THR 100 Cb -0.13 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 2pkd s THR 100 CO -0.04 0.55 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.50 2pkd s THR 101 N 0.07 3.58 -0.13 -0.82 2.01 -1.26 0.50 115.64 119.59 2pkd s THR 101 Ca -0.06 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 2pkd s THR 101 Cb -0.15 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 2pkd s THR 101 CO 0.05 0.47 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.82 2pkd s LYS 102 N 0.80 3.38 -0.08 4.92 1.02 -0.66 -4.98 119.74 124.13 2pkd s LYS 102 Ca -0.02 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 2pkd s LYS 102 Cb -0.15 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 2pkd s LYS 102 CO 0.02 0.30 -0.03 1.03 -0.92 0.00 0.00 175.35 175.75 2pkd s ARG 103 N 0.15 2.95 0.11 1.68 0.52 -1.26 -1.45 118.95 121.65 2pkd s ARG 103 Ca -0.04 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 2pkd s ARG 103 Cb -0.14 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 2pkd s ARG 103 CO 0.04 0.65 -0.11 0.71 0.02 0.00 0.00 175.30 176.61 2pkd s TYR 104 N -0.75 1.18 -0.21 -0.53 2.02 -0.26 -2.15 117.35 116.64 2pkd s TYR 104 Ca 0.12 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2pkd s TYR 104 Cb -0.11 -0.63 0.05 0.00 -0.40 0.00 0.00 41.96 40.86 2pkd s TYR 104 CO 0.02 0.05 -0.10 1.21 -1.57 0.00 0.00 175.55 175.16 2pkd s ASN 105 N -2.48 3.61 -0.04 2.29 3.84 0.78 -1.71 114.94 121.24 2pkd s ASN 105 Ca 0.07 -1.00 -0.21 0.00 0.21 0.00 0.00 52.86 51.94 2pkd s ASN 105 Cb -0.03 -1.28 -0.05 0.00 -0.55 0.00 0.00 41.25 39.34 2pkd s ASN 105 CO 0.01 -0.16 0.59 -0.22 -2.79 0.00 0.00 177.10 174.53 2pkd s LEU 106 N 1.35 4.37 -0.03 3.21 2.96 0.17 -1.09 118.68 129.63 2pkd s LEU 106 Ca -0.03 1.10 0.05 0.00 -0.22 0.00 0.00 54.13 55.04 2pkd s LEU 106 Cb -0.17 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 2pkd s LEU 106 CO -0.08 0.04 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.70 2pkd s GLN 107 N 0.16 1.72 -0.12 1.98 -1.52 -0.44 -0.75 119.66 120.69 2pkd s GLN 107 Ca 0.31 -0.69 0.01 0.00 -1.95 0.00 0.00 55.36 53.05 2pkd s GLN 107 Cb -0.17 -1.59 -0.01 0.00 -0.22 0.00 0.00 33.01 31.02 2pkd s GLN 107 CO 0.16 0.36 -0.17 0.42 -0.25 0.00 0.00 175.29 175.82 2pkd s ILE 108 N -0.28 2.71 0.17 1.08 -1.09 -1.26 -0.58 121.20 121.95 2pkd s ILE 108 Ca 0.03 -0.78 0.10 0.00 -2.23 0.00 0.00 60.65 57.77 2pkd s ILE 108 Cb -0.09 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 2pkd s ILE 108 CO 0.01 0.53 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.75 2pkd s TYR 109 N 0.40 2.45 -0.30 3.97 2.02 0.11 -4.90 117.35 121.10 2pkd s TYR 109 Ca -0.13 -0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.14 2pkd s TYR 109 Cb -0.16 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 2pkd s TYR 109 CO 0.06 0.47 0.30 0.50 -1.57 0.00 0.00 175.55 175.31 2pkd s ARG 110 N -2.57 3.82 0.00 -0.62 6.06 -1.26 0.34 118.95 124.72 2pkd s ARG 110 Ca 0.21 -0.26 0.00 0.00 -2.50 0.00 0.00 55.73 53.18 2pkd s ARG 110 Cb -0.09 -3.71 0.00 0.00 0.06 0.00 0.00 34.95 31.21 2pkd s ARG 110 CO 0.11 -0.34 0.00 0.54 -2.50 0.00 0.00 175.30 173.12