#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw n SER 2 N 0.00 -0.19 -3.60 1.61 7.64 -1.26 -5.00 113.62 112.82 2dkw n SER 2 Ca 0.00 0.80 -0.03 0.00 1.01 0.00 0.00 58.87 60.65 2dkw n SER 2 Cb 0.00 -1.26 -0.00 0.00 -1.01 0.00 0.00 64.21 61.94 2dkw n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dkw s SER 3 N -1.14 -0.10 0.00 6.43 0.01 -1.26 -5.09 113.70 112.54 2dkw s SER 3 Ca 0.70 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2dkw s SER 3 Cb -0.46 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2dkw s SER 3 CO 0.52 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2dkw n GLY 4 N -0.55 2.35 0.18 3.44 0.00 -1.26 -4.21 105.19 105.13 2dkw n GLY 4 Ca -0.05 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 2dkw n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dkw h SER 5 N 0.00 0.49 -0.47 1.61 4.64 -2.02 -2.96 113.55 114.85 2dkw h SER 5 Ca 0.00 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2dkw h SER 5 Cb 0.00 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2dkw h SER 5 CO 0.00 0.51 0.27 0.28 -0.87 0.00 0.00 176.83 177.02 2dkw h SER 6 N 0.44 0.58 -0.88 4.97 0.02 -2.00 -2.30 113.55 114.39 2dkw h SER 6 Ca 0.12 -0.08 0.19 0.00 -0.84 0.00 0.00 61.79 61.18 2dkw h SER 6 Cb 0.16 -0.15 -0.11 0.00 0.14 0.00 0.00 62.40 62.45 2dkw h SER 6 CO -0.01 0.48 0.42 1.23 -1.14 0.00 0.00 176.83 177.81 2dkw h GLY 7 N 0.62 1.48 0.50 -3.77 0.00 -1.69 -2.16 103.07 98.04 2dkw h GLY 7 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2dkw h GLY 7 CO -0.03 -0.16 -0.07 3.43 0.00 0.00 0.00 176.54 179.71 2dkw h ASN 8 N 0.50 -0.17 -1.80 0.19 2.35 -1.37 -2.13 115.58 113.17 2dkw h ASN 8 Ca 0.52 -0.35 0.53 0.00 -0.55 0.00 0.00 56.30 56.45 2dkw h ASN 8 Cb 0.88 0.04 -0.09 0.00 0.05 0.00 0.00 38.32 39.21 2dkw h ASN 8 CO -0.45 0.31 1.27 0.74 -1.65 0.00 0.00 177.43 177.66 2dkw h THR 9 N -0.70 0.05 0.12 2.81 2.02 -0.84 0.66 112.91 117.03 2dkw h THR 9 Ca -0.02 -0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.84 2dkw h THR 9 Cb 0.51 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2dkw h THR 9 CO 0.03 0.00 -1.67 -0.07 0.37 0.00 0.00 175.52 174.18 2dkw h LEU 10 N 0.01 0.38 -0.65 2.58 3.38 -1.41 -3.35 115.31 116.26 2dkw h LEU 10 Ca 0.89 -0.86 0.10 0.00 0.09 0.00 0.00 57.88 58.10 2dkw h LEU 10 Cb 3.46 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 43.97 2dkw h LEU 10 CO -0.09 1.72 -0.40 -0.09 0.09 0.00 0.00 178.44 179.67 2dkw h ARG 11 N -0.19 -0.17 -0.99 1.13 9.65 0.10 0.37 114.38 124.29 2dkw h ARG 11 Ca -0.36 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.66 2dkw h ARG 11 Cb 1.86 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 30.39 2dkw h ARG 11 CO 0.05 -0.11 0.62 0.93 2.80 0.00 0.00 179.97 184.26 2dkw h GLU 12 N -0.17 0.91 0.18 0.20 3.07 -1.63 -2.27 114.58 114.88 2dkw h GLU 12 Ca 0.21 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2dkw h GLU 12 Cb 0.56 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2dkw h GLU 12 CO -0.73 0.60 -0.09 1.25 -1.40 0.00 0.00 179.01 178.65 2dkw h LEU 13 N 0.94 -0.20 -0.91 1.33 5.85 -0.55 -1.96 115.31 119.81 2dkw h LEU 13 Ca 0.51 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 59.19 2dkw h LEU 13 Cb 0.56 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.49 2dkw h LEU 13 CO -0.29 0.07 -0.35 -1.14 -0.34 0.00 0.00 178.44 176.39 2dkw n ARG 14 N -5.09 -0.20 0.03 1.25 0.63 0.45 -0.43 116.66 113.30 2dkw n ARG 14 Ca -0.09 1.40 -0.13 0.00 -0.92 0.00 0.00 57.85 58.11 2dkw n ARG 14 Cb 0.20 -2.08 -0.09 0.00 0.45 0.00 0.00 32.46 30.94 2dkw n ARG 14 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2dkw h LEU 15 N 0.00 -0.06 -0.75 6.15 3.38 -1.51 -3.08 115.31 119.44 2dkw h LEU 15 Ca 0.32 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2dkw h LEU 15 Cb 0.55 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 2dkw h LEU 15 CO -0.90 0.29 -0.43 0.33 0.09 0.00 0.00 178.44 177.81 2dkw n PHE 16 N -4.96 -0.29 0.25 1.13 7.35 0.43 -0.63 117.46 120.74 2dkw n PHE 16 Ca -0.08 0.94 -0.13 0.00 -0.76 0.00 0.00 57.45 57.41 2dkw n PHE 16 Cb 0.19 -0.58 -0.07 0.00 0.35 0.00 0.00 39.48 39.37 2dkw n PHE 16 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dkw h LEU 17 N 0.00 -0.94 -0.93 -2.13 3.38 -1.44 -2.09 115.31 111.15 2dkw h LEU 17 Ca 0.13 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.37 2dkw h LEU 17 Cb 0.32 0.30 -0.18 0.00 0.09 0.00 0.00 40.66 41.19 2dkw h LEU 17 CO -0.71 -0.50 -0.18 -1.14 0.09 0.00 0.00 178.44 176.01 2dkw n ARG 18 N -4.56 -0.08 -0.07 1.13 0.63 -0.16 0.81 116.66 114.36 2dkw n ARG 18 Ca -0.09 1.44 -0.08 0.00 -0.92 0.00 0.00 57.85 58.21 2dkw n ARG 18 Cb 0.34 -2.19 -0.01 0.00 0.45 0.00 0.00 32.46 31.05 2dkw n ARG 18 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2dkw h ASP 19 N 0.00 0.05 0.48 6.15 3.58 -0.57 -0.63 116.42 125.48 2dkw h ASP 19 Ca 0.48 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.94 2dkw h ASP 19 Cb 0.79 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2dkw h ASP 19 CO -0.94 0.06 -0.23 0.58 -2.88 0.00 0.00 179.24 175.82 2dkw h VAL 20 N 0.18 0.00 -0.81 2.25 2.07 0.11 -2.21 116.25 117.84 2dkw h VAL 20 Ca 0.12 -0.05 0.16 0.00 0.82 0.00 0.00 66.70 67.75 2dkw h VAL 20 Cb 0.11 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.73 2dkw h VAL 20 CO -0.15 0.00 -0.21 0.74 0.02 0.00 0.00 177.57 177.97 2dkw h THR 21 N -0.70 0.18 -0.30 2.57 2.02 -0.89 0.12 112.91 115.91 2dkw h THR 21 Ca -0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.18 2dkw h THR 21 Cb 0.50 0.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 2dkw h THR 21 CO 0.11 0.00 -0.13 0.11 0.37 0.00 0.00 175.52 175.98 2dkw h LYS 22 N -0.00 -0.08 -0.68 6.66 1.57 -1.09 0.63 116.57 123.57 2dkw h LYS 22 Ca 0.39 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.33 2dkw h LYS 22 Cb 0.59 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 2dkw h LYS 22 CO -0.84 -0.05 0.47 -0.09 -0.57 0.00 0.00 179.45 178.37 2dkw h ARG 23 N -0.08 0.22 0.22 3.15 9.65 -0.14 0.21 114.38 127.61 2dkw h ARG 23 Ca 0.15 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 2dkw h ARG 23 Cb 0.32 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2dkw h ARG 23 CO -0.36 0.14 -0.11 -0.07 2.80 0.00 0.00 179.97 182.38 2dkw h LEU 24 N 0.23 -0.25 -0.83 3.80 3.38 -0.24 -3.07 115.31 118.34 2dkw h LEU 24 Ca 0.33 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.45 2dkw h LEU 24 Cb 0.98 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 2dkw h LEU 24 CO -0.07 0.17 0.42 0.00 0.09 0.00 0.00 178.44 179.05 2dkw h ALA 25 N -1.17 1.22 -0.96 1.53 0.00 -0.74 -0.34 119.26 118.80 2dkw h ALA 25 Ca -0.03 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2dkw h ALA 25 Cb 0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2dkw h ALA 25 CO 0.05 -0.08 0.62 1.79 0.00 0.00 0.00 179.25 181.63 2dkw h THR 26 N 0.62 1.01 -2.44 0.00 1.35 -0.70 -3.40 112.91 109.35 2dkw h THR 26 Ca 0.44 -0.35 -0.53 0.00 -0.55 0.00 0.00 66.41 65.42 2dkw h THR 26 Cb 0.60 -0.11 0.03 0.00 -1.73 0.00 0.00 68.15 66.93 2dkw h THR 26 CO -0.35 0.19 1.18 -1.81 -0.25 0.00 0.00 175.52 174.48 2dkw s ASP 27 N -5.88 6.45 0.38 5.36 1.11 -0.14 -4.83 116.67 119.12 2dkw s ASP 27 Ca -0.12 2.68 0.26 0.00 0.18 0.00 0.00 52.55 55.56 2dkw s ASP 27 Cb 0.21 -2.54 1.38 0.00 1.07 0.00 0.00 42.92 43.03 2dkw s ASP 27 CO 0.80 -1.03 1.80 0.50 1.18 0.00 0.00 175.17 178.42 2dkw h LYS 28 N 9.81 0.00 0.00 8.23 3.64 -1.84 0.63 116.57 137.05 2dkw h LYS 28 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2dkw h LYS 28 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2dkw h LYS 28 CO 0.94 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 178.66 2dkw n ARG 29 N -2.42 0.25 -0.45 1.90 1.74 -1.26 -3.23 116.66 113.20 2dkw n ARG 29 Ca -0.01 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.13 2dkw n ARG 29 Cb 0.07 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.05 2dkw n ARG 29 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2dkw n PHE 30 N -1.36 0.00 1.92 -1.55 3.72 0.19 -4.77 117.46 115.61 2dkw n PHE 30 Ca 0.11 -0.38 0.14 0.00 -0.05 0.00 0.00 57.45 57.27 2dkw n PHE 30 Cb 0.26 -0.09 0.82 0.00 -0.94 0.00 0.00 39.48 39.52 2dkw n PHE 30 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2dkw n ASN 31 N -0.42 0.00 0.04 4.37 4.13 -1.09 -2.98 115.26 119.32 2dkw n ASN 31 Ca 0.06 -1.05 0.04 0.00 1.68 0.00 0.00 54.58 55.30 2dkw n ASN 31 Cb 0.71 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.89 2dkw n ASN 31 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2dkw n ILE 32 N -0.95 0.92 0.29 2.41 -5.35 -1.26 -4.02 119.36 111.40 2dkw n ILE 32 Ca 0.21 -0.64 0.11 0.00 -0.27 0.00 0.00 62.75 62.16 2dkw n ILE 32 Cb 0.09 -0.54 -0.00 0.00 -1.74 0.00 0.00 39.64 37.45 2dkw n ILE 32 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2dkw n PHE 33 N -2.76 0.53 0.27 4.28 3.72 -1.16 -3.95 117.46 118.39 2dkw n PHE 33 Ca -0.07 0.15 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 2dkw n PHE 33 Cb 0.74 -0.67 0.26 0.00 -0.94 0.00 0.00 39.48 38.87 2dkw n PHE 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2dkw n SER 34 N -2.31 0.16 -4.26 4.37 2.88 -1.22 -3.93 113.62 109.31 2dkw n SER 34 Ca 0.00 0.55 -0.15 0.00 -1.33 0.00 0.00 58.87 57.95 2dkw n SER 34 Cb 0.50 -0.58 -0.10 0.00 -0.75 0.00 0.00 64.21 63.28 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 -3.11 1.10 -0.54 -1.46 1.02 -1.25 -4.38 119.74 111.12 2dkw s LYS 35 Ca 0.03 -1.49 -0.27 0.00 0.02 0.00 0.00 55.97 54.27 2dkw s LYS 35 Cb 0.06 -0.61 -0.02 0.00 -0.52 0.00 0.00 37.83 36.74 2dkw s LYS 35 CO 0.18 0.04 1.82 -1.25 -0.92 0.00 0.00 175.35 175.23 2dkw s PRO 36 N -3.77 2.83 -1.54 -1.68 0.04 -1.26 -4.89 135.00 124.73 2dkw s PRO 36 Ca 0.19 0.80 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 2dkw s PRO 36 Cb 0.03 -4.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 2dkw s PRO 36 CO 0.02 -2.48 2.77 1.33 0.04 0.00 0.00 177.00 178.67 2dkw n VAL 37 N 7.25 4.51 -4.48 -0.36 0.24 -1.26 -4.88 118.33 119.35 2dkw n VAL 37 Ca 0.21 -3.06 -0.21 0.00 -2.04 0.00 0.00 64.34 59.24 2dkw n VAL 37 Cb 0.51 -2.48 -0.04 0.00 -1.47 0.00 0.00 33.84 30.35 2dkw n VAL 37 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2dkw n SER 38 N 3.26 2.90 -0.04 -1.34 3.41 -1.26 -4.82 113.62 115.73 2dkw n SER 38 Ca 0.73 -2.44 -0.09 0.00 -0.26 0.00 0.00 58.87 56.80 2dkw n SER 38 Cb 0.24 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2dkw n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dkw n ASP 39 N -1.21 1.13 -4.69 4.04 8.00 -1.26 -5.06 116.55 117.50 2dkw n ASP 39 Ca -0.13 0.18 -0.24 0.00 0.71 0.00 0.00 54.79 55.30 2dkw n ASP 39 Cb 0.42 -0.43 0.10 0.00 -0.02 0.00 0.00 41.12 41.19 2dkw n ASP 39 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2dkw s TYR 40 N -2.30 1.99 0.00 1.24 5.04 -1.26 -5.10 117.35 116.96 2dkw s TYR 40 Ca -0.16 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.46 2dkw s TYR 40 Cb 0.05 -3.13 -0.03 0.00 0.35 0.00 0.00 41.96 39.19 2dkw s TYR 40 CO 0.21 -1.66 -0.06 -0.48 -1.34 0.00 0.00 175.55 172.22 2dkw s LEU 41 N -5.20 3.21 -1.42 6.97 0.05 -1.26 -4.62 118.68 116.41 2dkw s LEU 41 Ca 0.65 -0.13 -0.03 0.00 0.05 0.00 0.00 54.13 54.67 2dkw s LEU 41 Cb -0.07 -1.84 0.02 0.00 -2.05 0.00 0.00 46.19 42.26 2dkw s LEU 41 CO 0.45 0.28 0.58 -0.62 -0.55 0.00 0.00 176.35 176.49 2dkw n GLU 42 N 1.53 -3.93 0.00 1.48 -0.58 -1.26 -4.86 120.64 113.02 2dkw n GLU 42 Ca -0.15 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 2dkw n GLU 42 Cb 0.53 -4.85 0.00 0.00 -0.57 0.00 0.00 31.44 26.55 2dkw n GLU 42 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2dkw n VAL 43 N -4.39 0.19 -4.02 2.62 3.14 -1.26 -5.02 118.33 109.59 2dkw n VAL 43 Ca -0.24 -0.59 -0.35 0.00 -2.96 0.00 0.00 64.34 60.20 2dkw n VAL 43 Cb 0.65 0.91 -0.07 0.00 -1.06 0.00 0.00 33.84 34.28 2dkw n VAL 43 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2dkw s ILE 44 N -0.19 5.14 -0.10 1.55 1.09 -1.26 -5.03 121.20 122.39 2dkw s ILE 44 Ca 0.00 -0.05 -0.14 0.00 -1.10 0.00 0.00 60.65 59.36 2dkw s ILE 44 Cb 0.00 -3.27 -0.12 0.00 -1.06 0.00 0.00 42.46 38.01 2dkw s ILE 44 CO 0.00 0.52 0.44 0.11 -0.10 0.00 0.00 174.94 175.91 2dkw h LYS 45 N 4.65 -0.06 -2.83 2.79 1.79 -2.05 -3.41 116.57 117.45 2dkw h LYS 45 Ca -0.52 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.34 2dkw h LYS 45 Cb 1.21 0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 31.46 2dkw h LYS 45 CO 0.60 0.35 -0.65 0.39 -1.08 0.00 0.00 179.45 179.06 2dkw n GLU 46 N -4.77 1.67 -2.11 3.15 -0.58 -1.26 -5.07 120.64 111.67 2dkw n GLU 46 Ca -0.05 -4.30 -0.43 0.00 -0.42 0.00 0.00 57.16 51.97 2dkw n GLU 46 Cb 0.21 -2.17 -0.03 0.00 -0.57 0.00 0.00 31.44 28.89 2dkw n GLU 46 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2dkw s PRO 47 N -1.39 3.64 -0.09 3.49 0.04 -1.26 -5.00 135.00 134.43 2dkw s PRO 47 Ca 0.28 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.87 2dkw s PRO 47 Cb 0.00 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.47 2dkw s PRO 47 CO -0.15 -1.48 -0.19 1.41 0.04 0.00 0.00 177.00 176.62 2dkw s MET 48 N 4.98 2.55 0.29 4.56 1.75 -1.26 -5.07 119.30 127.10 2dkw s MET 48 Ca 0.73 -0.70 0.05 0.00 -1.25 0.00 0.00 55.69 54.51 2dkw s MET 48 Cb -0.23 -1.98 -0.03 0.00 2.84 0.00 0.00 34.83 35.42 2dkw s MET 48 CO 0.31 0.10 0.22 -0.51 -0.65 0.00 0.00 175.02 174.49 2dkw s ASP 49 N 0.52 1.29 0.33 1.11 1.11 -1.26 -4.53 116.67 115.23 2dkw s ASP 49 Ca -0.16 -1.64 0.15 0.00 0.18 0.00 0.00 52.55 51.08 2dkw s ASP 49 Cb -0.17 0.49 0.55 0.00 1.07 0.00 0.00 42.92 44.86 2dkw s ASP 49 CO 0.06 -0.98 1.69 -0.07 1.18 0.00 0.00 175.17 177.05 2dkw h LEU 50 N 2.26 0.00 0.52 1.23 3.38 -1.81 -3.00 115.31 117.89 2dkw h LEU 50 Ca -0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2dkw h LEU 50 Cb 1.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.99 2dkw h LEU 50 CO 0.43 0.48 -0.25 0.28 0.09 0.00 0.00 178.44 179.47 2dkw h SER 51 N 0.00 -0.59 -0.69 -0.43 0.02 -1.89 -2.77 113.55 107.20 2dkw h SER 51 Ca -0.00 -0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.02 2dkw h SER 51 Cb 0.97 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 2dkw h SER 51 CO 0.06 -0.22 0.46 0.00 -1.14 0.00 0.00 176.83 176.00 2dkw h THR 52 N -1.02 0.81 -0.66 -2.27 1.03 -1.94 -0.78 112.91 108.09 2dkw h THR 52 Ca -0.07 -0.12 -0.03 0.00 -0.01 0.00 0.00 66.41 66.18 2dkw h THR 52 Cb 0.61 0.42 -0.03 0.00 -1.07 0.00 0.00 68.15 68.08 2dkw h THR 52 CO 0.12 0.07 0.30 0.58 -0.01 0.00 0.00 175.52 176.57 2dkw h VAL 53 N 0.36 1.23 0.02 0.00 2.07 -1.44 -2.16 116.25 116.33 2dkw h VAL 53 Ca 0.33 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2dkw h VAL 53 Cb 0.80 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2dkw h VAL 53 CO -0.09 0.27 -0.01 0.40 0.02 0.00 0.00 177.57 178.16 2dkw h ILE 54 N 0.91 1.16 -0.69 4.57 2.04 -0.87 -2.72 117.51 121.92 2dkw h ILE 54 Ca 0.22 -0.58 0.11 0.00 1.00 0.00 0.00 64.86 65.62 2dkw h ILE 54 Cb 0.15 1.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.70 2dkw h ILE 54 CO -0.02 0.15 0.28 0.74 0.00 0.00 0.00 178.15 179.29 2dkw h THR 55 N -0.28 0.73 -0.36 -0.27 2.02 -1.36 -1.61 112.91 111.79 2dkw h THR 55 Ca -0.00 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2dkw h THR 55 Cb 0.27 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 2dkw h THR 55 CO 0.01 0.08 0.14 0.11 0.37 0.00 0.00 175.52 176.23 2dkw h LYS 56 N 0.45 0.30 -0.75 6.66 1.57 -1.31 -2.27 116.57 121.22 2dkw h LYS 56 Ca 0.36 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.28 2dkw h LYS 56 Cb 0.48 -0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.62 2dkw h LYS 56 CO -0.34 0.20 0.21 0.82 -0.57 0.00 0.00 179.45 179.77 2dkw h ILE 57 N 0.31 0.53 -0.74 1.86 2.04 -0.97 0.17 117.51 120.71 2dkw h ILE 57 Ca 0.16 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2dkw h ILE 57 Cb 0.11 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 2dkw h ILE 57 CO -0.15 0.06 0.42 -0.78 0.00 0.00 0.00 178.15 177.70 2dkw h ASP 58 N 0.31 0.90 -0.24 1.72 1.82 -1.18 -1.86 116.42 117.89 2dkw h ASP 58 Ca 0.43 -0.06 -0.13 0.00 -0.39 0.00 0.00 57.03 56.87 2dkw h ASP 58 Cb 0.73 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.44 2dkw h ASP 58 CO -0.50 0.71 0.17 0.29 -1.61 0.00 0.00 179.24 178.31 2dkw n LYS 59 N -4.37 1.32 -4.08 0.28 4.01 0.54 -4.83 118.16 111.03 2dkw n LYS 59 Ca 0.08 -0.74 -0.35 0.00 -0.51 0.00 0.00 58.31 56.79 2dkw n LYS 59 Cb 0.08 -1.29 -0.07 0.00 -0.51 0.00 0.00 35.03 33.24 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 -1.00 0.01 2.13 8.25 -0.70 -4.79 115.22 119.36 2dkw n HIS 60 Ca 0.15 0.57 -0.18 0.00 -0.26 0.00 0.00 57.72 58.00 2dkw n HIS 60 Cb 0.75 -1.70 -0.13 0.00 1.12 0.00 0.00 29.99 30.03 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 -0.84 0.40 -2.98 0.41 4.21 -1.54 -3.42 115.58 111.83 2dkw h ASN 61 Ca -0.52 -0.87 -0.62 0.00 1.21 0.00 0.00 56.30 55.50 2dkw h ASN 61 Cb 1.18 -0.13 -0.14 0.00 -1.12 0.00 0.00 38.32 38.12 2dkw h ASN 61 CO 0.74 1.22 0.51 -0.31 -1.29 0.00 0.00 177.43 178.31 2dkw s TYR 62 N -2.77 2.76 -0.13 1.19 2.02 -1.26 -4.84 117.35 114.31 2dkw s TYR 62 Ca -0.14 -0.27 0.18 0.00 -0.37 0.00 0.00 57.07 56.47 2dkw s TYR 62 Cb 0.01 -4.12 -0.17 0.00 -0.40 0.00 0.00 41.96 37.29 2dkw s TYR 62 CO 0.80 -1.45 0.69 1.47 -1.57 0.00 0.00 175.55 175.49 2dkw n LEU 63 N 7.47 0.60 -4.27 -1.29 -0.00 -1.26 -4.66 117.00 113.58 2dkw n LEU 63 Ca -0.01 0.26 -0.26 0.00 -0.00 0.00 0.00 56.01 56.00 2dkw n LEU 63 Cb 0.46 0.11 -0.14 0.00 -0.00 0.00 0.00 43.42 43.85 2dkw n LEU 63 CO 0.63 0.13 -0.53 0.42 -0.00 0.00 0.00 177.39 178.05 2dkw s THR 64 N -3.01 1.73 0.38 1.47 -4.23 -1.26 -4.76 115.64 105.96 2dkw s THR 64 Ca -0.04 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.25 2dkw s THR 64 Cb 0.09 -1.51 0.23 0.00 1.34 0.00 0.00 72.50 72.65 2dkw s THR 64 CO 0.83 0.18 2.00 0.00 -0.54 0.00 0.00 174.62 177.08 2dkw h ALA 65 N 4.72 1.59 -0.70 3.99 0.00 -1.91 -2.10 119.26 124.85 2dkw h ALA 65 Ca -0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2dkw h ALA 65 Cb 1.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2dkw h ALA 65 CO 0.43 0.33 0.35 0.87 0.00 0.00 0.00 179.25 181.24 2dkw h LYS 66 N 0.54 0.98 0.00 0.00 1.79 -1.96 -0.79 116.57 117.13 2dkw h LYS 66 Ca 0.14 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2dkw h LYS 66 Cb 0.07 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2dkw h LYS 66 CO -0.02 0.74 0.00 0.22 -1.08 0.00 0.00 179.45 179.31 2dkw h ASP 67 N 0.98 0.00 0.14 0.86 1.82 -1.81 -2.75 116.42 115.67 2dkw h ASP 67 Ca 0.24 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.55 2dkw h ASP 67 Cb 0.07 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 2dkw h ASP 67 CO -0.04 0.00 -1.74 0.15 -1.61 0.00 0.00 179.24 176.01 2dkw h PHE 68 N 0.00 0.55 -0.22 0.28 3.04 -0.95 -3.36 116.94 116.28 2dkw h PHE 68 Ca 0.00 -0.40 -0.04 0.00 3.98 0.00 0.00 57.97 61.51 2dkw h PHE 68 Cb 0.57 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2dkw h PHE 68 CO 0.00 1.68 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.87 2dkw h LEU 69 N -0.05 0.40 -0.92 0.59 3.38 -1.21 -3.05 115.31 114.46 2dkw h LEU 69 Ca -0.36 -0.34 0.26 0.00 0.09 0.00 0.00 57.88 57.53 2dkw h LEU 69 Cb 1.96 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 42.46 2dkw h LEU 69 CO 0.10 0.65 0.32 0.07 0.09 0.00 0.00 178.44 179.67 2dkw h LYS 70 N 0.14 0.22 -0.36 1.13 2.10 -1.67 0.31 116.57 118.45 2dkw h LYS 70 Ca 0.06 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.67 2dkw h LYS 70 Cb 0.46 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.73 2dkw h LYS 70 CO 0.02 0.14 0.11 0.22 -2.00 0.00 0.00 179.45 177.95 2dkw h ASP 71 N 0.22 0.52 -0.27 7.07 1.82 -1.68 -2.44 116.42 121.66 2dkw h ASP 71 Ca 0.61 -0.20 0.04 0.00 -0.39 0.00 0.00 57.03 57.09 2dkw h ASP 71 Cb 1.29 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 2dkw h ASP 71 CO -0.66 0.58 0.19 0.40 -1.61 0.00 0.00 179.24 178.14 2dkw h ILE 72 N 0.43 0.96 0.00 2.25 1.08 -0.37 0.14 117.51 122.00 2dkw h ILE 72 Ca 0.12 -0.06 -0.07 0.00 -0.39 0.00 0.00 64.86 64.45 2dkw h ILE 72 Cb 0.25 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2dkw h ILE 72 CO -0.00 0.03 -0.35 -0.78 -0.69 0.00 0.00 178.15 176.36 2dkw h ASP 73 N 0.18 0.00 1.13 1.72 3.58 -0.81 -3.05 116.42 119.17 2dkw h ASP 73 Ca 0.12 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 2dkw h ASP 73 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2dkw h ASP 73 CO -0.02 0.35 -0.22 0.25 -2.88 0.00 0.00 179.24 176.72 2dkw h LEU 74 N 0.00 0.00 0.27 2.28 5.85 -0.51 -2.84 115.31 120.35 2dkw h LEU 74 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2dkw h LEU 74 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2dkw h LEU 74 CO 0.05 0.22 -0.13 0.40 -0.34 0.00 0.00 178.44 178.64 2dkw h ILE 75 N 0.00 0.00 -0.79 4.05 2.04 -1.40 -1.89 117.51 119.53 2dkw h ILE 75 Ca -0.00 -0.71 0.13 0.00 1.00 0.00 0.00 64.86 65.28 2dkw h ILE 75 Cb 0.85 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 2dkw h ILE 75 CO 0.03 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.56 2dkw h SER 77 N 0.57 0.76 -0.39 0.00 4.64 -1.61 -3.07 113.55 114.44 2dkw h SER 77 Ca 0.42 -0.27 0.07 0.00 -0.47 0.00 0.00 61.79 61.54 2dkw h SER 77 Cb 0.57 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 2dkw h SER 77 CO -0.35 0.84 0.01 0.78 -0.87 0.00 0.00 176.83 177.24 2dkw h ASN 78 N 0.65 -0.15 -0.00 4.97 4.21 -0.37 -3.00 115.58 121.90 2dkw h ASN 78 Ca 0.14 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.74 2dkw h ASN 78 Cb 0.42 0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.77 2dkw h ASN 78 CO 0.01 -0.04 -0.00 0.00 -1.29 0.00 0.00 177.43 176.11 2dkw h ALA 79 N 1.34 -0.31 -0.77 -0.83 0.00 -1.29 -0.25 119.26 117.14 2dkw h ALA 79 Ca 0.19 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2dkw h ALA 79 Cb 0.27 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 2dkw h ALA 79 CO -0.32 -0.32 -0.29 1.28 0.00 0.00 0.00 179.25 179.61 2dkw n LEU 80 N -2.71 -0.47 0.26 0.00 4.77 -1.16 0.16 117.00 117.85 2dkw n LEU 80 Ca -0.00 1.35 -0.16 0.00 -0.03 0.00 0.00 56.01 57.16 2dkw n LEU 80 Cb 0.00 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.68 2dkw n LEU 80 CO 0.00 -1.22 0.52 -0.33 -1.33 0.00 0.00 177.39 175.03 2dkw h GLU 81 N 0.00 -0.88 -1.14 3.23 4.39 -1.22 -2.23 114.58 116.74 2dkw h GLU 81 Ca 0.28 0.06 -0.26 0.00 0.34 0.00 0.00 59.36 59.78 2dkw h GLU 81 Cb 0.47 0.20 -0.14 0.00 -0.10 0.00 0.00 28.75 29.18 2dkw h GLU 81 CO -0.77 -0.58 0.33 0.66 -1.16 0.00 0.00 179.01 177.49 2dkw n TYR 82 N -5.19 1.44 -3.67 4.33 4.02 0.55 -4.68 117.16 113.96 2dkw n TYR 82 Ca -0.11 -1.33 -0.36 0.00 -0.01 0.00 0.00 57.90 56.09 2dkw n TYR 82 Cb 0.42 -0.67 -0.07 0.00 -0.02 0.00 0.00 39.34 38.99 2dkw n TYR 82 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2dkw s ASN 83 N 0.02 5.75 0.22 7.72 -0.87 0.41 -4.77 114.94 123.42 2dkw s ASN 83 Ca 0.27 -3.53 -0.30 0.00 -1.57 0.00 0.00 52.86 47.73 2dkw s ASN 83 Cb 0.22 -1.88 -0.09 0.00 -0.02 0.00 0.00 41.25 39.48 2dkw s ASN 83 CO 0.04 -0.22 1.29 -2.16 -2.57 0.00 0.00 177.10 173.47 2dkw s PRO 84 N -1.06 4.41 -1.04 -0.60 0.04 -1.26 -4.90 135.00 130.58 2dkw s PRO 84 Ca 0.25 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.28 2dkw s PRO 84 Cb -0.10 -3.18 0.05 0.00 0.04 0.00 0.00 34.50 31.32 2dkw s PRO 84 CO -0.11 -0.20 2.65 -3.47 0.04 0.00 0.00 177.00 175.91 2dkw n ASP 85 N 2.23 7.54 -0.19 6.66 2.03 -1.26 -4.51 116.55 129.05 2dkw n ASP 85 Ca 0.05 -3.04 0.14 0.00 0.52 0.00 0.00 54.79 52.45 2dkw n ASP 85 Cb 0.43 -1.36 0.62 0.00 -0.72 0.00 0.00 41.12 40.10 2dkw n ASP 85 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dkw n LYS 86 N 1.78 0.96 -4.00 -0.67 5.02 -1.26 -4.86 118.16 115.12 2dkw n LYS 86 Ca 0.60 -0.37 -0.08 0.00 -2.02 0.00 0.00 58.31 56.43 2dkw n LYS 86 Cb 0.37 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 2dkw n LYS 86 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2dkw s ASP 87 N -2.30 0.31 0.25 4.39 -4.77 -1.26 -5.05 116.67 108.23 2dkw s ASP 87 Ca 0.33 -0.66 0.03 0.00 -3.30 0.00 0.00 52.55 48.95 2dkw s ASP 87 Cb 0.20 0.15 0.32 0.00 -1.09 0.00 0.00 42.92 42.51 2dkw s ASP 87 CO 0.43 -0.43 1.63 1.55 0.70 0.00 0.00 175.17 179.05 2dkw h PRO 88 N 4.01 0.37 -0.02 2.11 0.13 -1.99 -3.06 132.00 133.55 2dkw h PRO 88 Ca -0.33 -0.19 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 2dkw h PRO 88 Cb 1.18 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2dkw h PRO 88 CO 0.50 0.75 -0.37 0.78 -0.23 0.00 0.00 178.00 179.43 2dkw h GLY 89 N 1.20 0.03 0.60 1.56 0.00 -2.00 -2.80 103.07 101.66 2dkw h GLY 89 Ca 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.42 2dkw h GLY 89 CO 0.08 0.03 0.60 -1.80 0.00 0.00 0.00 176.54 175.45 2dkw h ASP 90 N 0.03 0.00 -0.65 0.19 1.82 -1.91 0.51 116.42 116.42 2dkw h ASP 90 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.72 2dkw h ASP 90 Cb 0.67 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.62 2dkw h ASP 90 CO 0.05 0.00 0.32 0.11 -1.61 0.00 0.00 179.24 178.11 2dkw h LYS 91 N 0.00 0.55 -0.83 0.28 1.57 -1.68 -1.49 116.57 114.97 2dkw h LYS 91 Ca 0.16 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2dkw h LYS 91 Cb 1.37 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 2dkw h LYS 91 CO -0.00 0.36 0.45 0.82 -0.57 0.00 0.00 179.45 180.51 2dkw h ILE 92 N 0.57 1.24 -0.52 1.86 5.03 -1.13 -2.78 117.51 121.78 2dkw h ILE 92 Ca 0.31 -0.61 0.10 0.00 -0.12 0.00 0.00 64.86 64.54 2dkw h ILE 92 Cb 0.29 0.13 -0.08 0.00 -3.03 0.00 0.00 36.82 34.13 2dkw h ILE 92 CO -0.24 0.27 0.04 0.40 -0.68 0.00 0.00 178.15 177.94 2dkw h ILE 93 N 1.16 0.63 -0.74 -0.67 2.04 -1.36 0.14 117.51 118.70 2dkw h ILE 93 Ca 0.29 -0.05 0.21 0.00 1.00 0.00 0.00 64.86 66.31 2dkw h ILE 93 Cb 0.03 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2dkw h ILE 93 CO -0.05 0.03 0.88 0.03 0.00 0.00 0.00 178.15 179.04 2dkw h ARG 94 N 0.16 0.00 0.05 2.37 3.08 -1.33 0.23 114.38 118.93 2dkw h ARG 94 Ca 0.26 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.03 2dkw h ARG 94 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2dkw h ARG 94 CO -0.40 0.00 -1.55 1.25 -1.07 0.00 0.00 179.97 178.20 2dkw h HIS 95 N 0.00 0.21 -0.79 3.04 2.76 -0.87 -3.36 115.15 116.13 2dkw h HIS 95 Ca 0.35 -0.15 0.16 0.00 -2.20 0.00 0.00 60.37 58.53 2dkw h HIS 95 Cb 2.10 -0.01 -0.15 0.00 1.55 0.00 0.00 27.41 30.90 2dkw h HIS 95 CO 0.00 1.61 -0.20 0.00 -1.30 0.00 0.00 177.93 178.04 2dkw h ARG 96 N -0.56 -0.00 -0.55 5.26 3.08 -0.02 0.24 114.38 121.83 2dkw h ARG 96 Ca -0.38 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.76 2dkw h ARG 96 Cb 1.60 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.59 2dkw h ARG 96 CO -0.09 -0.00 0.18 0.00 -1.07 0.00 0.00 179.97 178.99 2dkw h ALA 97 N 1.77 0.67 -0.09 0.04 0.00 -1.64 -0.58 119.26 119.43 2dkw h ALA 97 Ca 0.38 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.39 2dkw h ALA 97 Cb 0.58 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2dkw h ALA 97 CO -0.81 -0.23 -0.03 0.00 0.00 0.00 0.00 179.25 178.18 2dkw h THR 99 N -0.02 0.00 -0.80 0.00 2.02 -0.68 -2.51 112.91 110.93 2dkw h THR 99 Ca 0.05 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.55 2dkw h THR 99 Cb 0.09 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.37 2dkw h THR 99 CO -0.11 0.00 0.45 -0.11 0.37 0.00 0.00 175.52 176.12 2dkw n LEU 100 N -4.51 0.24 0.08 2.58 7.94 -0.28 -0.49 117.00 122.57 2dkw n LEU 100 Ca -0.11 1.19 -0.04 0.00 -1.11 0.00 0.00 56.01 55.95 2dkw n LEU 100 Cb 0.35 -0.58 -0.02 0.00 0.53 0.00 0.00 43.42 43.70 2dkw n LEU 100 CO 0.25 -1.33 0.30 0.50 -1.11 0.00 0.00 177.39 176.00 2dkw h LYS 101 N 0.00 -0.22 -1.55 1.96 3.64 -1.27 -2.12 116.57 117.00 2dkw h LYS 101 Ca 0.64 0.02 0.45 0.00 -1.27 0.00 0.00 60.65 60.48 2dkw h LYS 101 Cb 1.76 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.57 2dkw h LYS 101 CO -0.53 -0.15 1.23 0.22 -2.27 0.00 0.00 179.45 177.96 2dkw h ASP 102 N -0.35 0.00 0.07 4.20 1.82 -0.37 -0.12 116.42 121.68 2dkw h ASP 102 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2dkw h ASP 102 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2dkw h ASP 102 CO 0.04 0.00 -0.03 0.74 -1.61 0.00 0.00 179.24 178.37 2dkw h THR 103 N 0.00 0.00 -0.58 2.25 2.02 -1.10 -1.71 112.91 113.79 2dkw h THR 103 Ca 0.74 -0.19 0.11 0.00 0.77 0.00 0.00 66.41 67.84 2dkw h THR 103 Cb 3.19 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 69.49 2dkw h THR 103 CO -0.01 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.70 2dkw h ALA 104 N -1.76 0.30 -0.90 6.16 0.00 -0.50 0.23 119.26 122.79 2dkw h ALA 104 Ca -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2dkw h ALA 104 Cb 0.07 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2dkw h ALA 104 CO 0.02 -0.48 0.52 0.45 0.00 0.00 0.00 179.25 179.76 2dkw h HIS 105 N -0.04 1.21 -0.18 0.00 -0.00 -1.23 -1.83 115.15 113.09 2dkw h HIS 105 Ca 0.27 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 2dkw h HIS 105 Cb 0.46 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 2dkw h HIS 105 CO -0.51 0.82 0.07 0.00 -0.00 0.00 0.00 177.93 178.32 2dkw h ALA 106 N 1.28 0.23 -0.53 2.45 0.00 0.08 0.84 119.26 123.61 2dkw h ALA 106 Ca 0.32 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2dkw h ALA 106 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2dkw h ALA 106 CO -0.06 -0.19 0.31 0.82 0.00 0.00 0.00 179.25 180.14 2dkw h ILE 107 N 0.14 1.04 0.27 0.00 2.04 -0.42 0.17 117.51 120.75 2dkw h ILE 107 Ca 0.06 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2dkw h ILE 107 Cb 0.16 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2dkw h ILE 107 CO -0.01 0.11 -0.13 0.40 0.00 0.00 0.00 178.15 178.53 2dkw h ILE 108 N 0.62 0.77 -1.00 -0.67 1.08 -1.21 0.34 117.51 117.44 2dkw h ILE 108 Ca 0.21 -0.57 0.09 0.00 -0.39 0.00 0.00 64.86 64.21 2dkw h ILE 108 Cb 0.04 1.07 -0.08 0.00 -3.07 0.00 0.00 36.82 34.78 2dkw h ILE 108 CO -0.10 0.12 0.64 0.00 -0.69 0.00 0.00 178.15 178.11 2dkw h ALA 109 N -0.06 1.45 -0.04 1.87 0.00 -0.72 1.45 119.26 123.22 2dkw h ALA 109 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2dkw h ALA 109 Cb 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2dkw h ALA 109 CO 0.06 0.33 -0.88 0.00 0.00 0.00 0.00 179.25 178.76 2dkw h ALA 110 N 1.50 0.40 -0.94 0.00 0.00 -0.61 -3.40 119.26 116.20 2dkw h ALA 110 Ca 0.47 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2dkw h ALA 110 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dkw h ALA 110 CO -0.22 0.77 0.00 0.39 0.00 0.00 0.00 179.25 180.19 2dkw n GLU 111 N -3.80 0.00 -1.59 0.00 1.02 0.12 -4.90 120.64 111.48 2dkw n GLU 111 Ca -0.07 0.22 -0.62 0.00 -0.02 0.00 0.00 57.16 56.67 2dkw n GLU 111 Cb 0.79 -0.67 -0.09 0.00 -0.02 0.00 0.00 31.44 31.46 2dkw n GLU 111 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2dkw n LEU 112 N -1.76 0.55 -4.92 -4.62 7.94 0.49 -4.92 117.00 109.75 2dkw n LEU 112 Ca 0.00 1.16 -0.27 0.00 -1.11 0.00 0.00 56.01 55.79 2dkw n LEU 112 Cb 0.00 -0.89 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 2dkw n LEU 112 CO 0.00 -1.40 0.20 -1.81 -1.11 0.00 0.00 177.39 173.27 2dkw s ASP 113 N 1.37 6.37 0.39 1.96 1.11 -1.26 -4.71 116.67 121.90 2dkw s ASP 113 Ca 0.96 0.61 0.18 0.00 0.18 0.00 0.00 52.55 54.48 2dkw s ASP 113 Cb -1.36 -2.10 0.80 0.00 1.07 0.00 0.00 42.92 41.33 2dkw s ASP 113 CO 0.68 -0.25 1.80 1.55 1.18 0.00 0.00 175.17 180.13 2dkw h PRO 114 N 1.27 0.00 0.00 8.23 0.13 -1.96 -0.31 132.00 139.37 2dkw h PRO 114 Ca -0.48 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.41 2dkw h PRO 114 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2dkw h PRO 114 CO 0.64 0.35 -1.26 1.05 -0.23 0.00 0.00 178.00 178.55 2dkw h GLU 115 N 0.00 0.00 0.15 0.86 -0.00 -1.99 -2.88 114.58 110.71 2dkw h GLU 115 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 59.06 2dkw h GLU 115 Cb 0.76 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.51 2dkw h GLU 115 CO 0.05 0.78 -1.42 0.35 -0.00 0.00 0.00 179.01 178.76 2dkw h PHE 116 N 0.00 0.57 -0.26 2.06 3.57 -1.93 -3.16 116.94 117.79 2dkw h PHE 116 Ca -0.12 -0.41 -0.19 0.00 3.53 0.00 0.00 57.97 60.78 2dkw h PHE 116 Cb 1.85 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.57 2dkw h PHE 116 CO 0.00 1.39 -0.57 -0.97 -2.23 0.00 0.00 178.31 175.92 2dkw h ASN 117 N 0.08 0.93 0.28 0.41 -1.24 -1.18 -1.59 115.58 113.28 2dkw h ASN 117 Ca -0.21 -0.51 -0.05 0.00 0.71 0.00 0.00 56.30 56.24 2dkw h ASN 117 Cb 2.03 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.80 2dkw h ASN 117 CO 0.20 1.30 -0.24 0.07 -1.29 0.00 0.00 177.43 177.47 2dkw h LYS 118 N 0.63 0.00 0.01 6.67 2.10 -1.62 -2.71 116.57 121.64 2dkw h LYS 118 Ca 0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2dkw h LYS 118 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2dkw h LYS 118 CO 0.12 0.24 -0.08 -0.07 -2.00 0.00 0.00 179.45 177.66 2dkw h LEU 119 N 0.00 0.02 -1.30 7.07 3.38 -1.49 -2.67 115.31 120.33 2dkw h LEU 119 Ca -0.00 -0.98 0.24 0.00 0.09 0.00 0.00 57.88 57.22 2dkw h LEU 119 Cb 0.44 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 2dkw h LEU 119 CO 0.03 1.03 0.64 0.00 0.09 0.00 0.00 178.44 180.23 2dkw h GLU 121 N 0.48 0.00 -0.89 0.00 4.11 -1.58 -3.30 114.58 113.40 2dkw h GLU 121 Ca 0.57 0.00 0.05 0.00 0.07 0.00 0.00 59.36 60.05 2dkw h GLU 121 Cb 1.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 2dkw h GLU 121 CO -0.30 0.60 0.57 1.49 0.07 0.00 0.00 179.01 181.44 2dkw h GLU 122 N 0.00 1.04 0.00 1.06 4.81 0.15 -0.98 114.58 120.66 2dkw h GLU 122 Ca -0.03 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2dkw h GLU 122 Cb 1.52 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2dkw h GLU 122 CO 0.08 0.69 -0.13 0.82 -0.73 0.00 0.00 179.01 179.74 2dkw h ILE 123 N 1.07 0.98 0.00 2.32 2.04 -1.57 -1.55 117.51 120.81 2dkw h ILE 123 Ca 0.37 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2dkw h ILE 123 Cb 0.08 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2dkw h ILE 123 CO -0.14 0.13 0.00 1.17 0.00 0.00 0.00 178.15 179.31 2dkw n LYS 124 N -4.22 0.00 -0.60 2.37 4.81 -0.37 -0.25 118.16 119.91 2dkw n LYS 124 Ca -0.02 0.50 0.09 0.00 -0.87 0.00 0.00 58.31 58.01 2dkw n LYS 124 Cb 0.21 -1.51 0.35 0.00 0.02 0.00 0.00 35.03 34.10 2dkw n LYS 124 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2dkw n GLU 125 N -1.52 3.64 -2.99 1.64 1.02 -0.58 -4.94 120.64 116.91 2dkw n GLU 125 Ca -0.00 -2.82 -0.12 0.00 -0.02 0.00 0.00 57.16 54.20 2dkw n GLU 125 Cb 0.00 -1.87 0.06 0.00 -0.02 0.00 0.00 31.44 29.61 2dkw n GLU 125 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2dkw n SER 126 N 1.17 -2.78 0.00 1.62 7.64 0.66 -4.85 113.62 117.08 2dkw n SER 126 Ca 0.26 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.67 2dkw n SER 126 Cb 0.87 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 2dkw n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkw n GLY 127 N -1.14 1.41 3.71 0.23 0.00 -1.23 -5.05 105.19 103.12 2dkw n GLY 127 Ca -0.18 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -4.45 1.10 -0.15 1.61 0.04 -1.26 -4.86 135.00 127.04 2dkw s PRO 128 Ca 0.00 0.77 -0.05 0.00 0.04 0.00 0.00 61.00 61.76 2dkw s PRO 128 Cb 0.00 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2dkw s PRO 128 CO 0.00 -2.33 0.02 -1.54 0.04 0.00 0.00 177.00 173.18 2dkw s SER 129 N -3.43 5.27 -0.51 6.66 1.04 -1.26 -5.07 113.70 116.40 2dkw s SER 129 Ca 0.64 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 57.10 2dkw s SER 129 Cb -0.18 -1.78 0.13 0.00 0.10 0.00 0.00 66.02 64.29 2dkw s SER 129 CO 0.57 0.23 0.30 -0.94 0.98 0.00 0.00 173.24 174.38 2dkw s SER 130 N -0.00 5.01 0.00 7.02 1.04 -1.26 -5.29 113.70 120.21 2dkw s SER 130 Ca 0.04 -2.59 0.07 0.00 0.48 0.00 0.00 55.95 53.95 2dkw s SER 130 Cb -0.13 -1.78 0.06 0.00 0.10 0.00 0.00 66.02 64.27 2dkw s SER 130 CO 0.02 -0.39 0.72 0.61 0.98 0.00 0.00 173.24 175.18