#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw s SER 2 N 0.00 6.70 0.63 1.61 1.04 -1.26 -4.88 113.70 117.54 2dkw s SER 2 Ca 0.00 -2.50 0.22 0.00 0.48 0.00 0.00 55.95 54.16 2dkw s SER 2 Cb 0.00 -2.25 1.00 0.00 0.10 0.00 0.00 66.02 64.87 2dkw s SER 2 CO 0.00 -0.70 1.51 0.77 0.98 0.00 0.00 173.24 175.80 2dkw h SER 3 N 8.07 0.00 0.00 7.02 4.64 -2.04 -3.46 113.55 127.78 2dkw h SER 3 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2dkw h SER 3 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2dkw h SER 3 CO 0.84 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 2dkw n GLY 4 N -1.52 0.27 0.65 -0.77 0.00 -1.26 -4.37 105.19 98.18 2dkw n GLY 4 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2dkw n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dkw n SER 5 N 2.06 0.80 0.16 1.61 2.88 -1.26 -4.89 113.62 114.98 2dkw n SER 5 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2dkw n SER 5 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2dkw n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dkw h SER 6 N 0.00 -0.32 -1.57 -3.46 4.64 -2.01 -2.82 113.55 108.02 2dkw h SER 6 Ca 0.00 -0.11 0.46 0.00 -0.47 0.00 0.00 61.79 61.68 2dkw h SER 6 Cb 0.33 0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.43 2dkw h SER 6 CO 0.00 -0.08 1.12 0.61 -0.87 0.00 0.00 176.83 177.61 2dkw n GLY 7 N -0.77 -0.80 0.09 -0.77 0.00 -1.26 0.95 105.19 102.63 2dkw n GLY 7 Ca -0.10 0.57 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 2dkw n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dkw h ASN 8 N 0.00 -0.07 -1.31 1.61 4.21 -1.77 -3.24 115.58 115.00 2dkw h ASN 8 Ca 0.76 -0.55 0.38 0.00 1.21 0.00 0.00 56.30 58.11 2dkw h ASN 8 Cb 3.02 0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 40.18 2dkw h ASN 8 CO -0.05 0.62 1.25 0.41 -1.29 0.00 0.00 177.43 178.38 2dkw n THR 9 N -4.79 0.00 -0.06 2.81 -1.04 0.27 0.91 114.28 112.39 2dkw n THR 9 Ca -0.08 1.29 -0.12 0.00 -2.04 0.00 0.00 64.05 63.11 2dkw n THR 9 Cb 0.30 -2.26 -0.11 0.00 -1.82 0.00 0.00 70.33 66.45 2dkw n THR 9 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2dkw h LEU 10 N 0.00 -0.01 -1.00 -4.42 -0.00 -1.56 -3.22 115.31 105.10 2dkw h LEU 10 Ca 0.62 -0.78 0.33 0.00 -0.00 0.00 0.00 57.88 58.05 2dkw h LEU 10 Cb 3.12 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 43.63 2dkw h LEU 10 CO -0.01 0.86 0.55 -0.09 -0.00 0.00 0.00 178.44 179.75 2dkw h ARG 11 N -0.96 0.27 -0.28 1.13 2.43 0.49 0.45 114.38 117.92 2dkw h ARG 11 Ca -0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2dkw h ARG 11 Cb 0.79 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2dkw h ARG 11 CO 0.00 0.18 0.04 0.93 -1.51 0.00 0.00 179.97 179.61 2dkw h GLU 12 N 0.28 0.46 -0.01 0.20 5.08 -1.59 -2.79 114.58 116.21 2dkw h GLU 12 Ca 0.74 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.98 2dkw h GLU 12 Cb 1.72 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 2dkw h GLU 12 CO -0.63 0.58 0.00 1.25 -1.00 0.00 0.00 179.01 179.21 2dkw h LEU 13 N 0.27 0.02 -0.34 1.33 5.85 -0.24 -0.58 115.31 121.62 2dkw h LEU 13 Ca 0.08 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2dkw h LEU 13 Cb 0.34 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 2dkw h LEU 13 CO 0.01 0.17 -0.50 -0.09 -0.34 0.00 0.00 178.44 177.68 2dkw h ARG 14 N -0.14 -0.40 -0.24 1.25 2.43 -0.84 0.21 114.38 116.65 2dkw h ARG 14 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2dkw h ARG 14 Cb 0.16 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2dkw h ARG 14 CO -0.00 -0.27 0.15 -0.07 -1.51 0.00 0.00 179.97 178.28 2dkw h LEU 15 N -0.42 0.28 0.01 3.80 3.38 -1.48 -1.59 115.31 119.30 2dkw h LEU 15 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dkw h LEU 15 Cb 0.61 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dkw h LEU 15 CO -0.55 0.22 -0.02 0.15 0.09 0.00 0.00 178.44 178.34 2dkw h PHE 16 N 0.31 -0.05 -0.63 1.13 3.57 -0.21 0.27 116.94 121.34 2dkw h PHE 16 Ca 0.09 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.70 2dkw h PHE 16 Cb -0.02 0.02 -0.12 0.00 2.79 0.00 0.00 35.95 38.63 2dkw h PHE 16 CO -0.06 -0.02 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.65 2dkw h LEU 17 N -0.03 -1.01 0.04 0.59 3.38 -0.66 -0.75 115.31 116.87 2dkw h LEU 17 Ca -0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2dkw h LEU 17 Cb 0.03 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2dkw h LEU 17 CO -0.01 -0.28 -0.07 -0.09 0.09 0.00 0.00 178.44 178.08 2dkw h ARG 18 N -0.11 -0.12 -1.14 1.13 2.43 -1.09 0.49 114.38 115.97 2dkw h ARG 18 Ca 0.26 0.01 0.43 0.00 -0.81 0.00 0.00 59.98 59.87 2dkw h ARG 18 Cb 0.54 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 29.96 2dkw h ARG 18 CO -0.69 -0.08 0.68 0.22 -1.51 0.00 0.00 179.97 178.58 2dkw h ASP 19 N -0.12 0.30 0.20 -3.80 3.58 -0.08 0.45 116.42 116.95 2dkw h ASP 19 Ca -0.00 0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 2dkw h ASP 19 Cb 0.11 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2dkw h ASP 19 CO -0.03 -0.32 -0.09 0.58 -2.88 0.00 0.00 179.24 176.49 2dkw h VAL 20 N 0.05 0.90 0.44 2.25 2.07 -0.33 -2.79 116.25 118.84 2dkw h VAL 20 Ca 0.84 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 2dkw h VAL 20 Cb 2.38 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2dkw h VAL 20 CO -0.63 0.15 -0.21 0.74 0.02 0.00 0.00 177.57 177.64 2dkw h THR 21 N -0.61 0.55 -0.92 2.57 2.02 0.19 -3.05 112.91 113.66 2dkw h THR 21 Ca -0.03 -0.27 0.25 0.00 0.77 0.00 0.00 66.41 67.13 2dkw h THR 21 Cb 0.45 0.67 -0.16 0.00 -1.74 0.00 0.00 68.15 67.37 2dkw h THR 21 CO 0.04 0.05 0.09 0.50 0.37 0.00 0.00 175.52 176.57 2dkw h LYS 22 N -0.76 0.07 -0.66 6.66 3.64 -0.49 0.39 116.57 125.42 2dkw h LYS 22 Ca -0.06 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.45 2dkw h LYS 22 Cb 0.53 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 2dkw h LYS 22 CO 0.10 0.05 0.03 -0.09 -2.27 0.00 0.00 179.45 177.27 2dkw h ARG 23 N 0.07 0.14 0.82 1.90 9.65 -1.37 0.14 114.38 125.73 2dkw h ARG 23 Ca 0.56 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.39 2dkw h ARG 23 Cb 1.15 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.71 2dkw h ARG 23 CO -0.81 0.09 -0.40 -0.07 2.80 0.00 0.00 179.97 181.59 2dkw h LEU 24 N 0.14 -0.94 -0.13 3.80 3.38 -0.28 -3.00 115.31 118.29 2dkw h LEU 24 Ca 0.35 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.38 2dkw h LEU 24 Cb 0.58 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2dkw h LEU 24 CO -0.55 -0.62 -0.36 0.00 0.09 0.00 0.00 178.44 177.01 2dkw h ALA 25 N -1.39 -0.71 -0.81 1.53 0.00 -1.00 -0.88 119.26 116.00 2dkw h ALA 25 Ca -0.11 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.05 2dkw h ALA 25 Cb 0.85 0.89 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 2dkw h ALA 25 CO 0.19 -0.85 0.25 0.25 0.00 0.00 0.00 179.25 179.08 2dkw n THR 26 N -4.45 -0.34 -1.91 0.00 -2.24 0.45 -4.25 114.28 101.54 2dkw n THR 26 Ca -0.04 1.71 -0.41 0.00 -2.27 0.00 0.00 64.05 63.04 2dkw n THR 26 Cb 0.24 -2.64 -0.01 0.00 -2.10 0.00 0.00 70.33 65.82 2dkw n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dkw s ASP 27 N -4.79 6.50 0.41 3.42 -1.08 -0.34 -4.90 116.67 115.89 2dkw s ASP 27 Ca -0.09 2.91 0.18 0.00 -0.52 0.00 0.00 52.55 55.03 2dkw s ASP 27 Cb 0.26 -2.66 0.87 0.00 -1.46 0.00 0.00 42.92 39.93 2dkw s ASP 27 CO 0.63 -0.76 1.85 0.50 0.52 0.00 0.00 175.17 177.91 2dkw h LYS 28 N 3.37 0.00 -0.40 4.34 3.64 -1.83 -2.75 116.57 122.94 2dkw h LYS 28 Ca -0.50 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2dkw h LYS 28 Cb 1.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2dkw h LYS 28 CO 0.66 0.32 0.16 -0.09 -2.27 0.00 0.00 179.45 178.23 2dkw h ARG 29 N 0.00 0.56 -1.45 1.90 2.43 -1.89 -2.96 114.38 112.97 2dkw h ARG 29 Ca -0.00 -0.07 -0.60 0.00 -0.81 0.00 0.00 59.98 58.50 2dkw h ARG 29 Cb 0.67 -0.11 -0.41 0.00 -0.42 0.00 0.00 29.97 29.70 2dkw h ARG 29 CO 0.04 0.46 -0.63 1.19 -1.51 0.00 0.00 179.97 179.53 2dkw n PHE 30 N -4.38 3.31 0.25 2.20 3.72 -1.05 -4.67 117.46 116.84 2dkw n PHE 30 Ca 0.03 -2.96 0.11 0.00 -0.05 0.00 0.00 57.45 54.57 2dkw n PHE 30 Cb 0.14 -0.19 -0.14 0.00 -0.94 0.00 0.00 39.48 38.35 2dkw n PHE 30 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2dkw n ASN 31 N -0.52 0.29 0.08 4.37 0.23 -1.12 -4.11 115.26 114.49 2dkw n ASN 31 Ca 0.41 -0.23 -0.07 0.00 -0.53 0.00 0.00 54.58 54.16 2dkw n ASN 31 Cb 0.67 1.65 0.04 0.00 -2.08 0.00 0.00 39.78 40.07 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 2dkw h ILE 32 N 0.00 1.46 0.00 1.53 3.07 -1.83 -3.11 117.51 118.62 2dkw h ILE 32 Ca 0.00 -2.39 -0.09 0.00 1.55 0.00 0.00 64.86 63.93 2dkw h ILE 32 Cb 0.87 2.30 -0.01 0.00 -0.27 0.00 0.00 36.82 39.71 2dkw h ILE 32 CO 0.00 0.70 -0.41 -0.26 -1.05 0.00 0.00 178.15 177.13 2dkw h PHE 33 N 0.13 0.00 0.00 0.16 0.04 -1.93 -2.85 116.94 112.49 2dkw h PHE 33 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2dkw h PHE 33 Cb 1.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.51 2dkw h PHE 33 CO 0.03 0.41 0.00 0.45 -0.60 0.00 0.00 178.31 178.60 2dkw n SER 34 N -3.48 0.00 -4.31 2.17 2.88 -1.18 -4.07 113.62 105.64 2dkw n SER 34 Ca 0.00 0.44 -0.18 0.00 -1.33 0.00 0.00 58.87 57.81 2dkw n SER 34 Cb 0.56 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 2dkw n SER 34 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dkw s LYS 35 N -2.93 1.22 -0.59 -1.46 1.02 -1.08 -4.32 119.74 111.60 2dkw s LYS 35 Ca 0.05 -1.48 -0.27 0.00 0.02 0.00 0.00 55.97 54.29 2dkw s LYS 35 Cb 0.06 -1.01 -0.02 0.00 -0.52 0.00 0.00 37.83 36.34 2dkw s LYS 35 CO 0.17 0.17 1.85 -1.25 -0.92 0.00 0.00 175.35 175.37 2dkw s PRO 36 N -3.41 2.69 -0.04 -1.68 0.04 -1.26 -4.86 135.00 126.48 2dkw s PRO 36 Ca 0.18 0.67 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 2dkw s PRO 36 Cb -0.01 -4.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 2dkw s PRO 36 CO 0.05 -2.66 2.33 1.33 0.04 0.00 0.00 177.00 178.09 2dkw n VAL 37 N 7.22 2.29 -4.26 -0.36 0.24 -1.26 -4.82 118.33 117.38 2dkw n VAL 37 Ca 0.20 -0.86 -0.14 0.00 -2.04 0.00 0.00 64.34 61.51 2dkw n VAL 37 Cb 0.52 -1.58 -0.10 0.00 -1.47 0.00 0.00 33.84 31.20 2dkw n VAL 37 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dkw s SER 38 N 1.79 1.00 0.12 -1.34 0.15 -1.26 -4.82 113.70 109.33 2dkw s SER 38 Ca 0.17 -1.30 -0.11 0.00 0.70 0.00 0.00 55.95 55.41 2dkw s SER 38 Cb 0.09 0.18 -0.11 0.00 -1.71 0.00 0.00 66.02 64.47 2dkw s SER 38 CO -0.01 -0.69 1.35 0.44 1.20 0.00 0.00 173.24 175.54 2dkw h ASP 39 N 2.56 0.92 -2.85 5.45 5.19 -2.03 -3.44 116.42 122.23 2dkw h ASP 39 Ca -0.37 -0.57 -0.25 0.00 -0.62 0.00 0.00 57.03 55.23 2dkw h ASP 39 Cb 1.23 -0.27 -0.34 0.00 0.18 0.00 0.00 39.33 40.13 2dkw h ASP 39 CO 0.60 1.36 -0.57 -0.47 -3.12 0.00 0.00 179.24 177.05 2dkw s TYR 40 N -3.86 -0.36 0.29 4.55 6.14 -1.26 -5.02 117.35 117.83 2dkw s TYR 40 Ca -0.10 0.79 0.12 0.00 0.64 0.00 0.00 57.07 58.53 2dkw s TYR 40 Cb 0.09 -0.13 0.96 0.00 0.42 0.00 0.00 41.96 43.30 2dkw s TYR 40 CO 0.90 -0.37 1.28 1.47 0.64 0.00 0.00 175.55 179.47 2dkw n LEU 41 N 5.34 0.17 -0.19 6.97 -0.00 -1.26 0.20 117.00 128.23 2dkw n LEU 41 Ca -0.06 1.36 -0.02 0.00 -0.00 0.00 0.00 56.01 57.30 2dkw n LEU 41 Cb 0.50 -0.61 0.08 0.00 -0.00 0.00 0.00 43.42 43.39 2dkw n LEU 41 CO 0.04 -1.48 1.02 -0.08 -0.00 0.00 0.00 177.39 176.88 2dkw h GLU 42 N 0.00 0.47 -0.69 1.47 4.22 -2.00 -2.68 114.58 115.38 2dkw h GLU 42 Ca 0.63 -0.03 0.12 0.00 0.08 0.00 0.00 59.36 60.16 2dkw h GLU 42 Cb 1.59 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.62 2dkw h GLU 42 CO -0.67 0.31 -0.23 0.28 -2.18 0.00 0.00 179.01 176.52 2dkw n VAL 43 N -4.92 -0.34 -2.49 0.32 0.31 0.55 -3.76 118.33 108.00 2dkw n VAL 43 Ca 0.07 1.61 -0.43 0.00 -0.01 0.00 0.00 64.34 65.58 2dkw n VAL 43 Cb 0.20 -2.16 -0.02 0.00 -0.91 0.00 0.00 33.84 30.95 2dkw n VAL 43 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2dkw s ILE 44 N -5.74 4.15 0.25 2.52 1.09 -1.01 -4.90 121.20 117.55 2dkw s ILE 44 Ca -0.10 1.23 -0.04 0.00 -1.10 0.00 0.00 60.65 60.64 2dkw s ILE 44 Cb 0.16 -4.36 0.22 0.00 -1.06 0.00 0.00 42.46 37.42 2dkw s ILE 44 CO 0.51 -0.73 1.80 0.11 -0.10 0.00 0.00 174.94 176.53 2dkw h LYS 45 N 9.50 0.73 -3.24 2.79 1.79 -1.85 -3.24 116.57 123.05 2dkw h LYS 45 Ca -0.25 -0.04 -0.66 0.00 -2.18 0.00 0.00 60.65 57.52 2dkw h LYS 45 Cb 1.08 -0.16 -0.39 0.00 -1.58 0.00 0.00 32.23 31.18 2dkw h LYS 45 CO 1.08 0.48 -0.38 -1.21 -1.08 0.00 0.00 179.45 178.34 2dkw s GLU 46 N -6.02 2.74 -0.09 3.15 2.02 -1.26 -5.07 118.70 114.18 2dkw s GLU 46 Ca -0.12 -3.19 -0.30 0.00 0.02 0.00 0.00 54.97 51.38 2dkw s GLU 46 Cb 0.20 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 2dkw s GLU 46 CO 0.78 -1.25 1.51 -1.25 0.02 0.00 0.00 175.26 175.07 2dkw s PRO 47 N -1.20 4.20 -0.17 0.39 0.04 -1.23 -5.00 135.00 132.04 2dkw s PRO 47 Ca 0.24 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 2dkw s PRO 47 Cb -0.09 -3.89 0.05 0.00 0.04 0.00 0.00 34.50 30.61 2dkw s PRO 47 CO -0.12 -0.78 0.45 1.41 0.04 0.00 0.00 177.00 177.99 2dkw s MET 48 N 3.75 0.51 0.14 4.56 1.75 -1.26 -5.09 119.30 123.66 2dkw s MET 48 Ca 0.67 0.66 -0.25 0.00 -1.25 0.00 0.00 55.69 55.52 2dkw s MET 48 Cb -0.30 0.21 0.07 0.00 2.84 0.00 0.00 34.83 37.65 2dkw s MET 48 CO 0.25 -0.08 0.95 0.16 -0.65 0.00 0.00 175.02 175.65 2dkw s ASP 49 N 0.46 -0.19 0.13 1.11 1.47 -1.26 -4.63 116.67 113.75 2dkw s ASP 49 Ca -0.02 -0.37 -0.30 0.00 1.18 0.00 0.00 52.55 53.04 2dkw s ASP 49 Cb -0.04 0.48 -0.09 0.00 -0.34 0.00 0.00 42.92 42.93 2dkw s ASP 49 CO -0.02 -0.88 1.50 -0.07 0.68 0.00 0.00 175.17 176.38 2dkw h LEU 50 N 2.00 -1.79 -0.88 2.11 3.38 -1.87 0.44 115.31 118.70 2dkw h LEU 50 Ca -0.24 0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2dkw h LEU 50 Cb 1.23 0.75 -0.11 0.00 0.09 0.00 0.00 40.66 42.63 2dkw h LEU 50 CO 0.26 -0.33 -0.52 -1.20 0.09 0.00 0.00 178.44 176.74 2dkw n SER 51 N -5.13 -0.94 0.02 -0.43 7.64 -1.26 0.73 113.62 114.25 2dkw n SER 51 Ca -0.02 1.68 0.03 0.00 1.01 0.00 0.00 58.87 61.57 2dkw n SER 51 Cb 0.29 -0.26 0.40 0.00 -1.01 0.00 0.00 64.21 63.64 2dkw n SER 51 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2dkw h THR 52 N 0.00 1.13 -0.35 0.44 2.02 -1.70 -2.50 112.91 111.95 2dkw h THR 52 Ca 0.14 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2dkw h THR 52 Cb 0.36 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2dkw h THR 52 CO -0.83 0.14 0.20 0.58 0.37 0.00 0.00 175.52 175.98 2dkw h VAL 53 N 0.50 1.13 0.51 3.16 2.07 0.49 -2.69 116.25 121.43 2dkw h VAL 53 Ca 0.13 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2dkw h VAL 53 Cb 0.05 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2dkw h VAL 53 CO -0.02 0.13 -0.24 0.40 0.02 0.00 0.00 177.57 177.86 2dkw h ILE 54 N 0.44 0.49 -0.81 4.57 5.03 -0.19 -2.74 117.51 124.31 2dkw h ILE 54 Ca 0.12 -0.10 0.16 0.00 -0.12 0.00 0.00 64.86 64.92 2dkw h ILE 54 Cb 0.04 0.54 -0.15 0.00 -3.03 0.00 0.00 36.82 34.22 2dkw h ILE 54 CO -0.02 0.02 -0.21 0.74 -0.68 0.00 0.00 178.15 178.00 2dkw h THR 55 N -0.75 0.18 -0.56 -0.27 2.02 -1.43 0.30 112.91 112.41 2dkw h THR 55 Ca -0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.18 2dkw h THR 55 Cb 0.55 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2dkw h THR 55 CO 0.11 0.00 0.24 0.11 0.37 0.00 0.00 175.52 176.35 2dkw h LYS 56 N -0.01 0.44 -0.54 6.66 1.57 -1.36 -0.88 116.57 122.45 2dkw h LYS 56 Ca 0.38 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2dkw h LYS 56 Cb 0.59 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2dkw h LYS 56 CO -0.84 0.29 0.32 0.82 -0.57 0.00 0.00 179.45 179.47 2dkw h ILE 57 N 0.45 1.16 -0.22 1.86 2.04 -0.16 -0.11 117.51 122.52 2dkw h ILE 57 Ca 0.27 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 2dkw h ILE 57 Cb 0.26 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2dkw h ILE 57 CO -0.24 0.17 -0.41 0.44 0.00 0.00 0.00 178.15 178.12 2dkw h ASP 58 N 0.74 0.55 -0.50 1.72 3.32 0.15 -2.89 116.42 119.53 2dkw h ASP 58 Ca 0.19 -0.25 -0.27 0.00 0.02 0.00 0.00 57.03 56.73 2dkw h ASP 58 Cb -0.01 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 39.23 2dkw h ASP 58 CO -0.04 0.90 0.34 0.29 -1.72 0.00 0.00 179.24 179.02 2dkw n LYS 59 N -4.03 1.65 -4.22 3.56 4.01 -0.49 -4.87 118.16 113.78 2dkw n LYS 59 Ca -0.02 -1.51 -0.30 0.00 -0.51 0.00 0.00 58.31 55.97 2dkw n LYS 59 Cb 0.51 -1.59 -0.09 0.00 -0.51 0.00 0.00 35.03 33.35 2dkw n LYS 59 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2dkw n HIS 60 N -0.23 -1.19 -0.07 2.13 8.25 -1.09 -4.85 115.22 118.16 2dkw n HIS 60 Ca 0.30 0.56 -0.07 0.00 -0.26 0.00 0.00 57.72 58.26 2dkw n HIS 60 Cb 1.02 -2.64 -0.04 0.00 1.12 0.00 0.00 29.99 29.44 2dkw n HIS 60 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2dkw h ASN 61 N -1.66 0.00 -3.50 0.41 4.21 -1.25 -3.46 115.58 110.33 2dkw h ASN 61 Ca -0.63 -0.22 -0.53 0.00 1.21 0.00 0.00 56.30 56.14 2dkw h ASN 61 Cb 1.32 0.00 0.06 0.00 -1.12 0.00 0.00 38.32 38.58 2dkw h ASN 61 CO 0.67 0.79 0.73 -0.31 -1.29 0.00 0.00 177.43 178.01 2dkw s TYR 62 N -1.98 3.03 -0.02 1.19 2.02 -1.26 -4.91 117.35 115.41 2dkw s TYR 62 Ca -0.11 1.12 0.05 0.00 -0.37 0.00 0.00 57.07 57.75 2dkw s TYR 62 Cb 0.01 -3.78 -0.07 0.00 -0.40 0.00 0.00 41.96 37.71 2dkw s TYR 62 CO 0.25 -2.46 0.11 1.28 -1.57 0.00 0.00 175.55 173.16 2dkw n LEU 63 N 1.99 0.01 -4.17 -1.29 4.77 -1.26 -4.92 117.00 112.14 2dkw n LEU 63 Ca 0.05 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 2dkw n LEU 63 Cb 0.41 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 2dkw n LEU 63 CO 0.60 0.00 -0.35 0.42 -1.33 0.00 0.00 177.39 176.73 2dkw s THR 64 N -2.27 0.52 0.25 -5.08 -4.23 -1.26 -4.42 115.64 99.14 2dkw s THR 64 Ca -0.02 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2dkw s THR 64 Cb 0.03 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 2dkw s THR 64 CO 0.19 -0.73 1.61 0.00 -0.54 0.00 0.00 174.62 175.15 2dkw h ALA 65 N 2.91 0.92 0.17 3.99 0.00 -1.97 -3.17 119.26 122.12 2dkw h ALA 65 Ca -0.35 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2dkw h ALA 65 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dkw h ALA 65 CO 0.64 0.66 -0.14 0.87 0.00 0.00 0.00 179.25 181.28 2dkw h LYS 66 N 0.26 -0.31 -0.10 0.00 1.57 -1.98 -0.38 116.57 115.62 2dkw h LYS 66 Ca 0.01 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2dkw h LYS 66 Cb 0.97 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2dkw h LYS 66 CO 0.08 -0.21 0.13 -0.44 -0.57 0.00 0.00 179.45 178.44 2dkw h ASP 67 N -0.33 0.00 0.14 0.86 3.32 -1.99 0.03 116.42 118.46 2dkw h ASP 67 Ca -0.01 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 2dkw h ASP 67 Cb 0.30 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.87 2dkw h ASP 67 CO -0.02 0.00 -0.92 0.15 -1.72 0.00 0.00 179.24 176.73 2dkw h PHE 68 N 0.00 0.66 0.22 4.55 3.04 -1.25 -3.27 116.94 120.88 2dkw h PHE 68 Ca 0.05 -0.46 -0.01 0.00 3.98 0.00 0.00 57.97 61.53 2dkw h PHE 68 Cb 0.31 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.78 2dkw h PHE 68 CO 0.00 1.34 -0.10 -0.07 -2.02 0.00 0.00 178.31 177.46 2dkw h LEU 69 N -0.21 -0.25 -1.73 0.59 3.38 -0.11 -3.02 115.31 113.95 2dkw h LEU 69 Ca -0.16 -0.26 0.41 0.00 0.09 0.00 0.00 57.88 57.96 2dkw h LEU 69 Cb 1.71 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.44 2dkw h LEU 69 CO 0.17 0.16 0.95 0.07 0.09 0.00 0.00 178.44 179.88 2dkw h LYS 70 N -0.71 0.09 -0.15 1.13 2.10 -1.19 1.28 116.57 119.12 2dkw h LYS 70 Ca -0.03 -0.01 -0.14 0.00 -2.00 0.00 0.00 60.65 58.47 2dkw h LYS 70 Cb 0.49 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2dkw h LYS 70 CO 0.05 0.06 -0.51 -0.44 -2.00 0.00 0.00 179.45 176.61 2dkw h ASP 71 N 0.09 0.46 0.32 7.07 5.19 -1.58 -2.89 116.42 125.08 2dkw h ASP 71 Ca 0.72 -0.23 -0.12 0.00 -0.62 0.00 0.00 57.03 56.78 2dkw h ASP 71 Cb 2.55 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 41.92 2dkw h ASP 71 CO -0.17 0.89 -0.49 0.40 -3.12 0.00 0.00 179.24 176.76 2dkw h ILE 72 N 0.33 1.34 0.00 0.35 1.08 0.17 -2.78 117.51 118.00 2dkw h ILE 72 Ca 0.01 -1.70 -0.07 0.00 -0.39 0.00 0.00 64.86 62.71 2dkw h ILE 72 Cb 1.01 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.57 2dkw h ILE 72 CO 0.09 0.50 -0.33 -0.78 -0.69 0.00 0.00 178.15 176.94 2dkw h ASP 73 N 0.16 0.00 1.24 1.72 3.58 -1.26 -2.88 116.42 118.98 2dkw h ASP 73 Ca 0.01 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2dkw h ASP 73 Cb 0.92 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 2dkw h ASP 73 CO 0.07 0.33 -0.40 0.25 -2.88 0.00 0.00 179.24 176.61 2dkw h LEU 74 N 0.00 0.00 -0.12 2.28 5.85 -1.29 -2.73 115.31 119.30 2dkw h LEU 74 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2dkw h LEU 74 Cb 0.88 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2dkw h LEU 74 CO 0.04 0.40 -0.13 0.40 -0.34 0.00 0.00 178.44 178.81 2dkw h ILE 75 N 0.00 1.36 -0.45 4.05 2.04 -1.41 0.18 117.51 123.29 2dkw h ILE 75 Ca -0.00 -1.31 -0.13 0.00 1.00 0.00 0.00 64.86 64.42 2dkw h ILE 75 Cb 1.13 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 2dkw h ILE 75 CO 0.05 0.38 -0.25 0.00 0.00 0.00 0.00 178.15 178.33 2dkw h SER 77 N 0.81 0.03 -0.68 0.00 0.87 -1.51 -2.30 113.55 110.78 2dkw h SER 77 Ca 0.10 -0.56 0.14 0.00 -1.23 0.00 0.00 61.79 60.23 2dkw h SER 77 Cb 0.82 -0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 62.64 2dkw h SER 77 CO 0.07 0.59 -0.17 0.78 -0.53 0.00 0.00 176.83 177.57 2dkw h ASN 78 N -0.52 -0.63 0.26 6.23 4.21 -0.66 -0.40 115.58 124.06 2dkw h ASN 78 Ca 0.00 0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.70 2dkw h ASN 78 Cb 0.58 0.42 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 2dkw h ASN 78 CO 0.00 -0.22 -0.12 0.00 -1.29 0.00 0.00 177.43 175.80 2dkw h ALA 79 N 1.68 -0.80 -1.32 -0.83 0.00 -1.57 -1.53 119.26 114.89 2dkw h ALA 79 Ca 0.33 -0.08 0.38 0.00 0.00 0.00 0.00 54.91 55.54 2dkw h ALA 79 Cb 0.50 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2dkw h ALA 79 CO -0.70 -0.77 1.24 1.28 0.00 0.00 0.00 179.25 180.30 2dkw n LEU 80 N -3.22 0.00 -0.02 0.00 4.77 -0.86 0.11 117.00 117.78 2dkw n LEU 80 Ca -0.04 0.81 -0.00 0.00 -0.03 0.00 0.00 56.01 56.74 2dkw n LEU 80 Cb 0.14 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2dkw n LEU 80 CO 0.10 -0.81 -0.03 -0.08 -1.33 0.00 0.00 177.39 175.25 2dkw h GLU 81 N 0.00 0.00 0.45 3.23 4.57 -0.92 -3.41 114.58 118.49 2dkw h GLU 81 Ca 0.63 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.78 2dkw h GLU 81 Cb 3.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.70 2dkw h GLU 81 CO -0.01 0.00 -0.22 1.88 -1.18 0.00 0.00 179.01 179.49 2dkw h TYR 82 N -0.38 -0.56 -0.97 0.92 -1.99 0.06 -3.45 116.97 110.60 2dkw h TYR 82 Ca 0.00 -0.01 -0.49 0.00 2.00 0.00 0.00 58.73 60.23 2dkw h TYR 82 Cb 0.04 0.19 0.10 0.00 2.00 0.00 0.00 36.73 39.05 2dkw h TYR 82 CO -0.02 -0.24 -0.53 0.09 -0.00 0.00 0.00 178.16 177.47 2dkw n ASN 83 N -5.22 -1.46 -4.77 3.88 4.13 0.30 -4.83 115.26 107.29 2dkw n ASN 83 Ca -0.10 0.75 -0.40 0.00 1.68 0.00 0.00 54.58 56.51 2dkw n ASN 83 Cb 0.30 -0.69 -0.03 0.00 -1.54 0.00 0.00 39.78 37.82 2dkw n ASN 83 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dkw s PRO 84 N -0.75 4.42 -0.24 3.52 0.04 -1.26 -4.84 135.00 135.88 2dkw s PRO 84 Ca 0.47 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.42 2dkw s PRO 84 Cb -0.61 -3.07 -0.16 0.00 0.04 0.00 0.00 34.50 30.70 2dkw s PRO 84 CO 0.44 -0.07 -0.11 -3.47 0.04 0.00 0.00 177.00 173.84 2dkw n ASP 85 N 0.85 1.96 -0.08 6.66 2.03 -1.26 -4.18 116.55 122.53 2dkw n ASP 85 Ca 0.00 0.26 0.23 0.00 0.52 0.00 0.00 54.79 55.80 2dkw n ASP 85 Cb 0.43 -0.79 0.69 0.00 -0.72 0.00 0.00 41.12 40.74 2dkw n ASP 85 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2dkw h LYS 86 N -0.70 0.02 -7.19 -0.67 1.63 -2.02 -3.42 116.57 104.22 2dkw h LYS 86 Ca -0.56 -0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.72 2dkw h LYS 86 Cb 1.64 -0.00 0.11 0.00 -0.60 0.00 0.00 32.23 33.38 2dkw h LYS 86 CO -0.25 0.01 0.38 -0.51 -3.45 0.00 0.00 179.45 175.63 2dkw s ASP 87 N -5.97 4.88 0.44 4.20 1.01 -1.26 -4.94 116.67 115.03 2dkw s ASP 87 Ca -0.05 2.08 0.23 0.00 0.71 0.00 0.00 52.55 55.52 2dkw s ASP 87 Cb 0.20 -2.56 0.97 0.00 1.01 0.00 0.00 42.92 42.55 2dkw s ASP 87 CO 0.75 -1.79 1.86 1.55 0.21 0.00 0.00 175.17 177.75 2dkw h PRO 88 N -0.06 0.00 -0.66 8.23 0.13 -1.92 -3.17 132.00 134.56 2dkw h PRO 88 Ca -0.47 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 2dkw h PRO 88 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2dkw h PRO 88 CO 0.53 0.25 0.34 0.78 -0.23 0.00 0.00 178.00 179.67 2dkw h GLY 89 N 1.71 0.96 0.42 1.56 0.00 -1.90 -2.47 103.07 103.34 2dkw h GLY 89 Ca -0.00 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.16 2dkw h GLY 89 CO 0.03 0.11 -0.06 -1.80 0.00 0.00 0.00 176.54 174.82 2dkw h ASP 90 N 0.62 -0.25 -0.84 0.19 3.58 -1.71 0.12 116.42 118.12 2dkw h ASP 90 Ca 0.31 0.09 0.23 0.00 0.42 0.00 0.00 57.03 58.08 2dkw h ASP 90 Cb 0.25 0.17 -0.16 0.00 1.72 0.00 0.00 39.33 41.32 2dkw h ASP 90 CO -0.21 -0.08 0.02 0.29 -2.88 0.00 0.00 179.24 176.37 2dkw n LYS 91 N -5.24 -0.07 -0.04 0.28 4.76 -0.93 -0.09 118.16 116.84 2dkw n LYS 91 Ca 0.00 1.26 -0.02 0.00 -2.87 0.00 0.00 58.31 56.68 2dkw n LYS 91 Cb 0.17 -2.01 -0.01 0.00 -1.84 0.00 0.00 35.03 31.35 2dkw n LYS 91 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2dkw h ILE 92 N 0.00 0.00 -0.71 -0.18 2.04 -1.45 -3.40 117.51 113.81 2dkw h ILE 92 Ca 0.51 -0.56 0.13 0.00 1.00 0.00 0.00 64.86 65.94 2dkw h ILE 92 Cb 1.06 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.01 2dkw h ILE 92 CO -0.79 0.00 -0.22 -0.38 0.00 0.00 0.00 178.15 176.76 2dkw n ILE 93 N -3.58 -0.33 -0.29 -0.67 5.41 0.35 0.07 119.36 120.32 2dkw n ILE 93 Ca -0.03 1.64 -0.04 0.00 1.00 0.00 0.00 62.75 65.32 2dkw n ILE 93 Cb 0.12 -2.22 -0.02 0.00 -0.71 0.00 0.00 39.64 36.81 2dkw n ILE 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2dkw n ARG 94 N -5.11 -0.23 -0.19 0.38 0.63 0.87 0.14 116.66 113.15 2dkw n ARG 94 Ca 0.10 1.10 -0.10 0.00 -0.92 0.00 0.00 57.85 58.03 2dkw n ARG 94 Cb 0.33 -1.63 0.01 0.00 0.45 0.00 0.00 32.46 31.62 2dkw n ARG 94 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2dkw h HIS 95 N 0.00 1.02 -0.18 -0.14 2.76 -0.58 -2.84 115.15 115.18 2dkw h HIS 95 Ca 0.19 -0.17 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 2dkw h HIS 95 Cb 0.37 -0.27 -0.07 0.00 1.55 0.00 0.00 27.41 28.99 2dkw h HIS 95 CO -0.68 0.94 -0.39 0.00 -1.30 0.00 0.00 177.93 176.49 2dkw h ARG 96 N 0.82 -0.42 -0.79 5.26 2.47 0.15 0.19 114.38 122.06 2dkw h ARG 96 Ca 0.15 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.97 2dkw h ARG 96 Cb 0.52 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.88 2dkw h ARG 96 CO 0.03 -0.28 0.47 0.00 0.56 0.00 0.00 179.97 180.75 2dkw h ALA 97 N 0.27 1.08 0.64 0.04 0.00 -0.99 -0.75 119.26 119.56 2dkw h ALA 97 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2dkw h ALA 97 Cb 0.60 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2dkw h ALA 97 CO -0.42 0.18 -0.31 0.00 0.00 0.00 0.00 179.25 178.69 2dkw h THR 99 N -0.87 0.94 -0.73 0.00 2.02 -0.42 -1.47 112.91 112.38 2dkw h THR 99 Ca -0.09 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 66.91 2dkw h THR 99 Cb 0.67 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 2dkw h THR 99 CO 0.14 0.14 0.39 0.25 0.37 0.00 0.00 175.52 176.81 2dkw h LEU 100 N 0.76 0.55 0.58 2.58 5.85 -0.83 -1.42 115.31 123.38 2dkw h LEU 100 Ca 0.39 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.13 2dkw h LEU 100 Cb 0.48 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.46 2dkw h LEU 100 CO -0.16 0.33 -0.28 0.50 -0.34 0.00 0.00 178.44 178.49 2dkw h LYS 101 N 0.68 -0.75 -0.84 1.25 3.64 -1.00 -1.81 116.57 117.74 2dkw h LYS 101 Ca 0.35 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.96 2dkw h LYS 101 Cb 0.31 0.17 -0.16 0.00 -0.41 0.00 0.00 32.23 32.14 2dkw h LYS 101 CO -0.24 -0.50 -0.15 0.22 -2.27 0.00 0.00 179.45 176.51 2dkw h ASP 102 N -0.83 -0.68 0.52 4.20 3.58 -1.39 0.63 116.42 122.44 2dkw h ASP 102 Ca -0.08 0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 2dkw h ASP 102 Cb 0.60 0.49 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 2dkw h ASP 102 CO 0.13 -0.27 -0.51 0.74 -2.88 0.00 0.00 179.24 176.45 2dkw h THR 103 N 0.02 0.01 0.11 2.25 2.02 -1.21 0.23 112.91 116.34 2dkw h THR 103 Ca 0.42 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.60 2dkw h THR 103 Cb 0.69 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2dkw h THR 103 CO -0.84 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 174.88 2dkw h ALA 104 N -0.89 -0.81 -0.94 6.16 0.00 -0.31 -0.15 119.26 122.32 2dkw h ALA 104 Ca -0.06 -0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.07 2dkw h ALA 104 Cb 0.89 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 2dkw h ALA 104 CO -0.06 -0.83 0.41 0.45 0.00 0.00 0.00 179.25 179.22 2dkw h HIS 105 N -0.30 0.66 -0.27 0.00 -0.00 -0.95 0.23 115.15 114.53 2dkw h HIS 105 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2dkw h HIS 105 Cb 0.27 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 2dkw h HIS 105 CO -0.22 -0.17 0.18 0.00 -0.00 0.00 0.00 177.93 177.72 2dkw h ALA 106 N 1.81 0.34 -0.34 2.45 0.00 -0.02 -1.17 119.26 122.33 2dkw h ALA 106 Ca 0.64 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.54 2dkw h ALA 106 Cb 1.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2dkw h ALA 106 CO -0.62 -0.19 0.19 0.82 0.00 0.00 0.00 179.25 179.46 2dkw h ILE 107 N 0.36 1.03 0.50 0.00 2.04 0.13 -1.26 117.51 120.32 2dkw h ILE 107 Ca 0.10 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2dkw h ILE 107 Cb -0.04 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2dkw h ILE 107 CO -0.02 0.07 -0.31 0.40 0.00 0.00 0.00 178.15 178.29 2dkw h ILE 108 N 0.40 0.37 -0.91 -0.67 1.08 -1.05 0.17 117.51 116.90 2dkw h ILE 108 Ca 0.13 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.77 2dkw h ILE 108 Cb 0.01 0.37 -0.07 0.00 -3.07 0.00 0.00 36.82 34.05 2dkw h ILE 108 CO -0.07 0.00 0.59 0.00 -0.69 0.00 0.00 178.15 177.98 2dkw h ALA 109 N -0.33 1.94 0.26 1.87 0.00 -1.11 0.79 119.26 122.68 2dkw h ALA 109 Ca -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dkw h ALA 109 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dkw h ALA 109 CO 0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 179.25 178.97 2dkw h ALA 110 N 1.61 -0.51 0.60 0.00 0.00 -0.76 -3.39 119.26 116.80 2dkw h ALA 110 Ca 0.47 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2dkw h ALA 110 Cb 0.89 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2dkw h ALA 110 CO -0.22 -0.49 -0.29 0.93 0.00 0.00 0.00 179.25 179.19 2dkw h GLU 111 N -0.71 -0.77 -6.27 0.00 5.08 -0.47 -3.44 114.58 108.00 2dkw h GLU 111 Ca -0.04 0.05 -0.57 0.00 -1.00 0.00 0.00 59.36 57.81 2dkw h GLU 111 Cb 0.27 0.18 0.21 0.00 0.50 0.00 0.00 28.75 29.90 2dkw h GLU 111 CO 0.06 -0.51 -1.11 -0.11 -1.00 0.00 0.00 179.01 176.33 2dkw n LEU 112 N -4.38 -2.80 -4.22 1.33 7.94 0.27 -5.01 117.00 110.13 2dkw n LEU 112 Ca -0.10 0.45 -0.18 0.00 -1.11 0.00 0.00 56.01 55.07 2dkw n LEU 112 Cb 0.32 -0.96 -0.11 0.00 0.53 0.00 0.00 43.42 43.19 2dkw n LEU 112 CO 0.24 -4.60 -0.45 -1.81 -1.11 0.00 0.00 177.39 169.66 2dkw s ASP 113 N -1.24 1.86 0.00 1.96 1.01 -1.26 -4.79 116.67 114.21 2dkw s ASP 113 Ca 0.54 -0.77 0.15 0.00 0.71 0.00 0.00 52.55 53.18 2dkw s ASP 113 Cb -0.32 -0.05 0.82 0.00 1.01 0.00 0.00 42.92 44.38 2dkw s ASP 113 CO 0.69 -0.15 1.38 -0.81 0.21 0.00 0.00 175.17 176.50 2dkw n PRO 114 N 0.68 0.32 -0.10 8.23 -0.04 -1.26 -2.06 135.00 140.77 2dkw n PRO 114 Ca -0.17 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.24 2dkw n PRO 114 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2dkw n PRO 114 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dkw n GLU 115 N -1.17 0.58 -0.05 0.54 1.02 -1.26 -4.38 120.64 115.92 2dkw n GLU 115 Ca 0.09 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 57.19 2dkw n GLU 115 Cb 0.09 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dkw h PHE 116 N 0.00 0.59 -0.91 -0.32 3.57 -1.94 -3.14 116.94 114.80 2dkw h PHE 116 Ca -0.46 -0.23 0.19 0.00 3.53 0.00 0.00 57.97 61.01 2dkw h PHE 116 Cb 1.73 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 40.30 2dkw h PHE 116 CO 0.02 0.95 0.60 -0.97 -2.23 0.00 0.00 178.31 176.68 2dkw h ASN 117 N 0.07 0.50 0.59 0.41 -1.24 -1.67 0.38 115.58 114.62 2dkw h ASN 117 Ca -0.00 0.05 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 2dkw h ASN 117 Cb 0.94 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.93 2dkw h ASN 117 CO 0.07 0.20 -0.45 0.11 -1.29 0.00 0.00 177.43 176.07 2dkw h LYS 118 N 0.50 0.00 -0.01 6.67 1.57 -1.75 -2.65 116.57 120.91 2dkw h LYS 118 Ca 0.48 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.06 2dkw h LYS 118 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2dkw h LYS 118 CO -0.21 0.45 -0.87 -0.07 -0.57 0.00 0.00 179.45 178.19 2dkw h LEU 119 N 0.00 0.33 0.49 2.94 3.38 -0.25 -2.46 115.31 119.74 2dkw h LEU 119 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2dkw h LEU 119 Cb 0.87 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2dkw h LEU 119 CO 0.06 1.05 -0.24 0.00 0.09 0.00 0.00 178.44 179.41 2dkw h GLU 121 N -1.11 0.00 -0.02 0.00 4.11 -1.60 -1.90 114.58 114.06 2dkw h GLU 121 Ca -0.07 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.14 2dkw h GLU 121 Cb 0.56 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.83 2dkw h GLU 121 CO 0.11 0.00 -0.85 0.93 0.07 0.00 0.00 179.01 179.27 2dkw h GLU 122 N 0.00 0.61 -0.16 1.06 4.39 -1.37 -3.20 114.58 115.92 2dkw h GLU 122 Ca -0.00 -0.63 -0.05 0.00 0.34 0.00 0.00 59.36 59.01 2dkw h GLU 122 Cb 0.09 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2dkw h GLU 122 CO 0.00 1.24 -0.11 0.82 -1.16 0.00 0.00 179.01 179.80 2dkw h ILE 123 N 0.24 1.33 -0.70 3.13 2.04 -0.80 0.78 117.51 123.53 2dkw h ILE 123 Ca -0.10 -1.20 0.15 0.00 1.00 0.00 0.00 64.86 64.71 2dkw h ILE 123 Cb 1.52 1.77 -0.12 0.00 -0.74 0.00 0.00 36.82 39.25 2dkw h ILE 123 CO 0.17 0.36 0.03 0.50 0.00 0.00 0.00 178.15 179.20 2dkw h LYS 124 N 0.02 0.13 0.05 2.37 3.64 -1.53 0.05 116.57 121.29 2dkw h LYS 124 Ca 0.03 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 2dkw h LYS 124 Cb 0.61 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2dkw h LYS 124 CO 0.03 0.09 -0.63 0.93 -2.27 0.00 0.00 179.45 177.59 2dkw h GLU 125 N 0.13 0.34 -0.68 1.90 4.39 -1.54 -3.32 114.58 115.81 2dkw h GLU 125 Ca 0.38 -0.43 0.14 0.00 0.34 0.00 0.00 59.36 59.78 2dkw h GLU 125 Cb 0.64 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.31 2dkw h GLU 125 CO -0.59 1.13 -0.10 1.03 -1.16 0.00 0.00 179.01 179.33 2dkw h SER 126 N -0.25 -0.50 0.00 1.42 0.87 -0.02 -3.46 113.55 111.61 2dkw h SER 126 Ca -0.09 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2dkw h SER 126 Cb 1.40 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 2dkw h SER 126 CO 0.12 -0.20 0.00 0.61 -0.53 0.00 0.00 176.83 176.84 2dkw n GLY 127 N -1.43 0.79 3.70 5.77 0.00 -0.07 -5.07 105.19 108.88 2dkw n GLY 127 Ca 0.10 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2dkw n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkw s PRO 128 N 0.00 4.29 0.49 1.61 0.04 -1.22 -5.02 135.00 135.20 2dkw s PRO 128 Ca 0.00 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 2dkw s PRO 128 Cb 0.00 -3.47 0.11 0.00 0.04 0.00 0.00 34.50 31.18 2dkw s PRO 128 CO 0.00 -0.53 0.67 0.43 0.04 0.00 0.00 177.00 177.61 2dkw n SER 129 N 4.90 0.30 -4.64 6.66 7.64 -1.26 -4.99 113.62 122.23 2dkw n SER 129 Ca 0.13 -1.40 -0.43 0.00 1.01 0.00 0.00 58.87 58.18 2dkw n SER 129 Cb 0.43 -0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 63.12 2dkw n SER 129 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dkw s SER 130 N -3.53 6.75 0.00 6.43 0.15 -1.26 -5.03 113.70 117.20 2dkw s SER 130 Ca 0.40 1.41 0.07 0.00 0.70 0.00 0.00 55.95 58.52 2dkw s SER 130 Cb -0.01 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2dkw s SER 130 CO 0.27 -0.98 0.71 0.61 1.20 0.00 0.00 173.24 175.05