#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 -2.24 -3.63 1.61 7.64 -1.26 -4.98 113.62 110.76 2dkw n SER 2 Ca 0.00 0.83 -0.06 0.00 1.01 0.00 0.00 58.87 60.64 2dkw n SER 2 Cb 0.00 -0.83 -0.06 0.00 -1.01 0.00 0.00 64.21 62.31 2dkw n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dkw s SER 3 N -0.92 -0.25 0.00 6.43 0.15 -1.26 -5.17 113.70 112.68 2dkw s SER 3 Ca 0.56 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2dkw s SER 3 Cb -0.66 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2dkw s SER 3 CO 0.56 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.49 2dkw n GLY 4 N 1.58 0.93 2.80 9.45 0.00 -1.26 -4.93 105.19 113.75 2dkw n GLY 4 Ca -0.10 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2dkw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkw s SER 5 N -4.00 4.09 0.04 1.61 1.04 -1.26 -5.09 113.70 110.12 2dkw s SER 5 Ca 0.00 -1.65 -0.21 0.00 0.48 0.00 0.00 55.95 54.57 2dkw s SER 5 Cb 0.00 -1.00 0.07 0.00 0.10 0.00 0.00 66.02 65.19 2dkw s SER 5 CO 0.00 -0.39 0.99 -1.54 0.98 0.00 0.00 173.24 173.28 2dkw n SER 6 N 4.74 -1.13 0.00 7.02 3.41 -1.26 -4.81 113.62 121.59 2dkw n SER 6 Ca -0.02 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 2dkw n SER 6 Cb 0.42 1.79 0.00 0.00 -0.26 0.00 0.00 64.21 66.16 2dkw n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkw n GLY 7 N -0.71 2.21 0.24 5.00 0.00 -1.26 -4.75 105.19 105.93 2dkw n GLY 7 Ca 0.02 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 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 0.62 -0.65 1.61 4.21 -2.00 -1.42 115.58 117.96 2dkw h ASN 8 Ca 0.00 -0.00 0.18 0.00 1.21 0.00 0.00 56.30 57.68 2dkw h ASN 8 Cb 0.00 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 2dkw h ASN 8 CO 0.00 0.44 0.46 0.74 -1.29 0.00 0.00 177.43 177.78 2dkw h THR 9 N 0.75 0.71 0.01 2.81 2.02 -1.97 -2.10 112.91 115.13 2dkw h THR 9 Ca 0.24 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 2dkw h THR 9 Cb -0.01 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2dkw h THR 9 CO -0.09 0.01 -0.01 -0.07 0.37 0.00 0.00 175.52 175.74 2dkw h LEU 10 N 0.07 -0.01 -0.45 2.58 -0.00 -1.66 -3.10 115.31 112.74 2dkw h LEU 10 Ca 0.31 -0.74 0.06 0.00 -0.00 0.00 0.00 57.88 57.51 2dkw h LEU 10 Cb 1.13 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.71 2dkw h LEU 10 CO -0.03 0.83 -0.53 -0.09 -0.00 0.00 0.00 178.44 178.63 2dkw h ARG 11 N -0.96 -0.34 -0.67 1.13 9.65 -0.73 0.13 114.38 122.58 2dkw h ARG 11 Ca -0.00 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.01 2dkw h ARG 11 Cb 0.75 0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 29.33 2dkw h ARG 11 CO 0.00 -0.23 0.27 0.93 2.80 0.00 0.00 179.97 183.75 2dkw h GLU 12 N -0.35 0.44 0.13 0.20 4.39 -1.57 -2.25 114.58 115.57 2dkw h GLU 12 Ca 0.10 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.79 2dkw h GLU 12 Cb 0.58 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2dkw h GLU 12 CO -0.62 0.29 -0.21 1.25 -1.16 0.00 0.00 179.01 178.56 2dkw h LEU 13 N 0.46 -0.59 -0.70 1.33 5.85 -0.94 -1.21 115.31 119.51 2dkw h LEU 13 Ca 0.35 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.25 2dkw h LEU 13 Cb 0.45 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.57 2dkw h LEU 13 CO -0.33 -0.30 -0.37 -0.09 -0.34 0.00 0.00 178.44 177.02 2dkw h ARG 14 N -0.41 -0.12 -0.81 1.25 2.43 -0.23 0.22 114.38 116.71 2dkw h ARG 14 Ca 0.02 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2dkw h ARG 14 Cb 0.42 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2dkw h ARG 14 CO -0.11 -0.08 0.53 -0.07 -1.51 0.00 0.00 179.97 178.74 2dkw h LEU 15 N -0.13 0.92 0.00 3.80 3.38 -1.25 -2.35 115.31 119.68 2dkw h LEU 15 Ca 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2dkw h LEU 15 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dkw h LEU 15 CO -0.76 0.66 0.00 0.33 0.09 0.00 0.00 178.44 178.76 2dkw n PHE 16 N -4.53 0.00 -0.32 1.13 7.35 0.61 -1.29 117.46 120.42 2dkw n PHE 16 Ca 0.08 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.69 2dkw n PHE 16 Cb 0.03 -0.28 -0.08 0.00 0.35 0.00 0.00 39.48 39.50 2dkw n PHE 16 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dkw n LEU 17 N -1.44 -0.80 -0.06 -2.13 4.77 -0.19 -1.68 117.00 115.48 2dkw n LEU 17 Ca 0.00 1.55 -0.03 0.00 -0.03 0.00 0.00 56.01 57.50 2dkw n LEU 17 Cb 0.00 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2dkw n LEU 17 CO 0.00 -1.20 0.50 -0.09 -1.33 0.00 0.00 177.39 175.27 2dkw h ARG 18 N 0.00 -0.06 -0.87 3.23 2.43 -1.47 0.25 114.38 117.89 2dkw h ARG 18 Ca 0.12 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.49 2dkw h ARG 18 Cb 0.31 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 29.71 2dkw h ARG 18 CO -0.71 -0.04 -0.12 -3.47 -1.51 0.00 0.00 179.97 174.12 2dkw n ASP 19 N -3.40 -0.23 -0.09 -3.80 -0.08 -0.41 0.12 116.55 108.66 2dkw n ASP 19 Ca -0.00 1.48 -0.09 0.00 -1.51 0.00 0.00 54.79 54.67 2dkw n ASP 19 Cb 0.07 -0.48 -0.01 0.00 2.34 0.00 0.00 41.12 43.04 2dkw n ASP 19 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2dkw h VAL 20 N 0.00 1.05 0.59 5.18 2.07 -0.10 -1.93 116.25 123.11 2dkw h VAL 20 Ca 0.46 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 2dkw h VAL 20 Cb 0.81 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2dkw h VAL 20 CO -0.86 0.07 -0.28 0.74 0.02 0.00 0.00 177.57 177.26 2dkw h THR 21 N 0.40 0.00 -0.97 2.57 2.02 0.25 -2.97 112.91 114.20 2dkw h THR 21 Ca 0.12 -0.40 0.31 0.00 0.77 0.00 0.00 66.41 67.21 2dkw h THR 21 Cb -0.02 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.22 2dkw h THR 21 CO -0.05 0.00 0.24 0.50 0.37 0.00 0.00 175.52 176.58 2dkw h LYS 22 N -1.19 0.05 -0.70 6.66 3.64 -0.13 0.92 116.57 125.82 2dkw h LYS 22 Ca -0.08 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2dkw h LYS 22 Cb 0.61 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 2dkw h LYS 22 CO 0.13 0.03 0.46 -0.09 -2.27 0.00 0.00 179.45 177.72 2dkw h ARG 23 N 0.05 0.91 -0.58 1.90 2.43 -1.35 0.19 114.38 117.92 2dkw h ARG 23 Ca 0.67 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.71 2dkw h ARG 23 Cb 1.53 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 2dkw h ARG 23 CO -0.82 0.60 0.08 -0.07 -1.51 0.00 0.00 179.97 178.25 2dkw h LEU 24 N 0.93 0.95 0.35 3.80 3.38 0.96 -2.95 115.31 122.72 2dkw h LEU 24 Ca 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2dkw h LEU 24 Cb -0.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.41 2dkw h LEU 24 CO -0.06 0.98 -0.17 0.00 0.09 0.00 0.00 178.44 179.28 2dkw h ALA 25 N 1.00 -0.68 -0.77 1.53 0.00 -0.68 -3.27 119.26 116.40 2dkw h ALA 25 Ca 0.18 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2dkw h ALA 25 Cb 0.45 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2dkw h ALA 25 CO 0.02 -0.65 -0.41 0.25 0.00 0.00 0.00 179.25 178.46 2dkw n THR 26 N -4.02 -0.49 -1.64 0.00 -2.24 0.62 -4.31 114.28 102.20 2dkw n THR 26 Ca -0.06 1.84 -0.44 0.00 -2.27 0.00 0.00 64.05 63.12 2dkw n THR 26 Cb 0.18 -2.32 -0.02 0.00 -2.10 0.00 0.00 70.33 66.08 2dkw n THR 26 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dkw n ASP 27 N -5.01 2.02 -1.99 3.42 8.00 -1.12 -4.80 116.55 117.08 2dkw n ASP 27 Ca 0.03 1.18 -0.08 0.00 0.71 0.00 0.00 54.79 56.64 2dkw n ASP 27 Cb 0.23 -1.37 -0.11 0.00 -0.02 0.00 0.00 41.12 39.85 2dkw n ASP 27 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dkw n LYS 28 N 0.90 1.47 0.01 -1.24 4.01 -1.26 -3.58 118.16 118.47 2dkw n LYS 28 Ca 0.08 -0.65 0.00 0.00 -0.51 0.00 0.00 58.31 57.23 2dkw n LYS 28 Cb 0.33 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 2dkw n LYS 28 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2dkw n ARG 29 N 2.39 0.00 -1.69 1.97 1.74 -1.26 -4.83 116.66 114.98 2dkw n ARG 29 Ca 0.28 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.06 2dkw n ARG 29 Cb 0.68 -0.38 0.05 0.00 -1.02 0.00 0.00 32.46 31.79 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 -2.97 3.02 0.03 -1.55 3.72 -1.23 -4.54 117.46 113.93 2dkw n PHE 30 Ca 0.00 -2.65 0.04 0.00 -0.05 0.00 0.00 57.45 54.79 2dkw n PHE 30 Cb 0.33 -0.91 -0.08 0.00 -0.94 0.00 0.00 39.48 37.87 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 -0.80 0.61 0.28 4.37 4.13 -1.26 -3.98 115.26 118.61 2dkw n ASN 31 Ca 0.54 0.25 0.18 0.00 1.68 0.00 0.00 54.58 57.23 2dkw n ASN 31 Cb 0.79 0.68 0.75 0.00 -1.54 0.00 0.00 39.78 40.46 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 2dkw h ILE 32 N 0.00 0.00 0.00 2.41 3.07 -1.94 -2.29 117.51 118.76 2dkw h ILE 32 Ca -0.12 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 65.85 2dkw h ILE 32 Cb 1.37 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.34 2dkw h ILE 32 CO 0.02 0.00 -0.95 0.49 -1.05 0.00 0.00 178.15 176.67 2dkw n PHE 33 N -3.05 0.67 0.35 0.16 3.01 -1.26 -3.84 117.46 113.50 2dkw n PHE 33 Ca 0.00 0.19 0.11 0.00 1.01 0.00 0.00 57.45 58.77 2dkw n PHE 33 Cb 0.27 -0.75 0.50 0.00 -0.01 0.00 0.00 39.48 39.49 2dkw n PHE 33 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2dkw n SER 34 N -2.35 0.62 -4.36 4.37 2.88 -0.86 -3.29 113.62 110.64 2dkw n SER 34 Ca 0.01 0.68 -0.18 0.00 -1.33 0.00 0.00 58.87 58.04 2dkw n SER 34 Cb 0.50 -0.80 -0.10 0.00 -0.75 0.00 0.00 64.21 63.06 2dkw n SER 34 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2dkw s LYS 35 N -3.34 1.36 -1.15 -1.46 -2.85 -1.25 -3.89 119.74 107.15 2dkw s LYS 35 Ca 0.03 -1.64 -0.23 0.00 -1.00 0.00 0.00 55.97 53.13 2dkw s LYS 35 Cb 0.09 -0.99 -0.08 0.00 -2.06 0.00 0.00 37.83 34.78 2dkw s LYS 35 CO 0.35 0.09 1.94 -1.25 0.10 0.00 0.00 175.35 176.57 2dkw s PRO 36 N -3.71 2.50 0.50 1.78 0.04 -1.26 -4.77 135.00 130.07 2dkw s PRO 36 Ca 0.25 -1.06 0.29 0.00 0.04 0.00 0.00 61.00 60.52 2dkw s PRO 36 Cb 0.02 -5.22 1.39 0.00 0.04 0.00 0.00 34.50 30.73 2dkw s PRO 36 CO 0.08 -3.92 1.83 -0.39 0.04 0.00 0.00 177.00 174.64 2dkw h VAL 37 N 6.31 0.51 -1.45 -0.36 -1.51 -1.91 -3.42 116.25 114.41 2dkw h VAL 37 Ca 0.20 -0.04 -0.12 0.00 -1.23 0.00 0.00 66.70 65.51 2dkw h VAL 37 Cb 0.95 0.38 0.07 0.00 -2.13 0.00 0.00 31.29 30.55 2dkw h VAL 37 CO 1.22 0.02 -0.06 -1.20 -1.23 0.00 0.00 177.57 176.33 2dkw n SER 38 N -4.34 -2.37 -0.02 4.19 7.64 -1.26 -4.94 113.62 112.53 2dkw n SER 38 Ca 0.22 -0.29 -0.11 0.00 1.01 0.00 0.00 58.87 59.71 2dkw n SER 38 Cb 1.01 -0.45 -0.14 0.00 -1.01 0.00 0.00 64.21 63.62 2dkw n SER 38 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dkw n ASP 39 N -1.91 1.04 -2.88 6.43 2.03 -1.26 -4.99 116.55 115.01 2dkw n ASP 39 Ca 0.05 0.36 -0.14 0.00 0.52 0.00 0.00 54.79 55.58 2dkw n ASP 39 Cb 0.20 -0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.41 2dkw n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dkw n TYR 40 N -3.10 0.21 -0.08 -0.67 9.36 -1.26 -5.07 117.16 116.55 2dkw n TYR 40 Ca -0.20 -1.34 0.00 0.00 3.32 0.00 0.00 57.90 59.68 2dkw n TYR 40 Cb 1.06 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.72 2dkw n TYR 40 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 2dkw n LEU 41 N 0.00 0.48 -0.09 2.98 -0.00 -1.26 -4.76 117.00 114.35 2dkw n LEU 41 Ca -0.05 -0.67 -0.14 0.00 -0.00 0.00 0.00 56.01 55.15 2dkw n LEU 41 Cb 0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.66 2dkw n LEU 41 CO 0.17 0.12 -1.09 -0.62 -0.00 0.00 0.00 177.39 175.97 2dkw n GLU 42 N -0.38 0.42 -0.35 1.47 1.02 -1.26 -4.52 120.64 117.04 2dkw n GLU 42 Ca 0.00 0.12 0.31 0.00 -0.02 0.00 0.00 57.16 57.58 2dkw n GLU 42 Cb 0.02 -1.29 0.65 0.00 -0.02 0.00 0.00 31.44 30.79 2dkw n GLU 42 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2dkw h VAL 43 N -0.19 0.40 -3.26 2.62 3.04 -2.01 -3.39 116.25 113.47 2dkw h VAL 43 Ca -0.41 -0.06 -0.54 0.00 -1.01 0.00 0.00 66.70 64.68 2dkw h VAL 43 Cb 1.55 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 2dkw h VAL 43 CO -0.13 0.03 0.51 -0.63 -1.01 0.00 0.00 177.57 176.34 2dkw s ILE 44 N -5.19 4.40 -0.06 3.17 1.01 -1.26 -4.97 121.20 118.29 2dkw s ILE 44 Ca -0.07 1.72 -0.08 0.00 0.00 0.00 0.00 60.65 62.22 2dkw s ILE 44 Cb 0.25 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2dkw s ILE 44 CO 0.81 0.11 0.34 0.11 0.00 0.00 0.00 174.94 176.31 2dkw h LYS 45 N 6.90 -0.29 -2.79 2.79 1.79 -1.94 -3.40 116.57 119.63 2dkw h LYS 45 Ca -0.40 0.02 -0.68 0.00 -2.18 0.00 0.00 60.65 57.41 2dkw h LYS 45 Cb 1.21 0.07 -0.37 0.00 -1.58 0.00 0.00 32.23 31.55 2dkw h LYS 45 CO 0.80 -0.19 -0.12 0.39 -1.08 0.00 0.00 179.45 179.25 2dkw n GLU 46 N -4.95 2.94 -1.21 3.15 -0.58 -1.26 -5.07 120.64 113.66 2dkw n GLU 46 Ca -0.04 -4.57 -0.30 0.00 -0.42 0.00 0.00 57.16 51.83 2dkw n GLU 46 Cb 0.12 -2.37 0.13 0.00 -0.57 0.00 0.00 31.44 28.75 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 -2.11 1.35 -0.19 3.49 0.04 -1.26 -4.96 135.00 131.35 2dkw s PRO 47 Ca 0.33 0.86 -0.28 0.00 0.04 0.00 0.00 61.00 61.94 2dkw s PRO 47 Cb 0.04 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.88 2dkw s PRO 47 CO -0.04 -2.19 0.97 1.41 0.04 0.00 0.00 177.00 177.19 2dkw s MET 48 N -4.93 0.62 -0.21 4.56 1.75 -1.26 -5.04 119.30 114.79 2dkw s MET 48 Ca 0.63 0.35 -0.12 0.00 -1.25 0.00 0.00 55.69 55.30 2dkw s MET 48 Cb -0.18 0.30 0.07 0.00 2.84 0.00 0.00 34.83 37.85 2dkw s MET 48 CO 0.57 -0.15 0.52 -0.51 -0.65 0.00 0.00 175.02 174.80 2dkw s ASP 49 N -0.60 -0.69 0.54 1.11 1.11 -1.26 -4.85 116.67 112.03 2dkw s ASP 49 Ca -0.01 1.14 0.38 0.00 0.18 0.00 0.00 52.55 54.25 2dkw s ASP 49 Cb -0.02 1.02 1.32 0.00 1.07 0.00 0.00 42.92 46.31 2dkw s ASP 49 CO -0.00 -0.21 1.36 0.18 1.18 0.00 0.00 175.17 177.67 2dkw n LEU 50 N 4.28 0.00 0.04 1.23 4.77 -1.21 0.12 117.00 126.24 2dkw n LEU 50 Ca -0.22 0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2dkw n LEU 50 Cb 0.57 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 2dkw n LEU 50 CO 0.04 -0.84 0.74 -1.28 -1.33 0.00 0.00 177.39 174.72 2dkw h SER 51 N 0.00 -0.06 0.24 -1.43 0.87 -1.87 -2.57 113.55 108.74 2dkw h SER 51 Ca 0.72 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 2dkw h SER 51 Cb 3.23 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 65.20 2dkw h SER 51 CO -0.01 0.18 -0.03 0.00 -0.53 0.00 0.00 176.83 176.44 2dkw h THR 52 N -0.29 0.22 0.25 2.23 1.03 0.62 -2.89 112.91 114.09 2dkw h THR 52 Ca -0.01 -0.20 -0.01 0.00 -0.01 0.00 0.00 66.41 66.18 2dkw h THR 52 Cb 0.26 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.50 2dkw h THR 52 CO 0.01 0.03 -0.12 0.58 -0.01 0.00 0.00 175.52 176.01 2dkw h VAL 53 N 0.00 0.70 -0.86 0.00 2.07 -1.20 -3.01 116.25 113.94 2dkw h VAL 53 Ca -0.00 -0.84 0.25 0.00 0.82 0.00 0.00 66.70 66.93 2dkw h VAL 53 Cb 0.16 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2dkw h VAL 53 CO 0.00 0.15 0.79 0.40 0.02 0.00 0.00 177.57 178.94 2dkw h ILE 54 N -0.84 0.28 0.16 4.57 5.03 -1.27 -0.22 117.51 125.22 2dkw h ILE 54 Ca -0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.70 2dkw h ILE 54 Cb 0.51 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 34.70 2dkw h ILE 54 CO 0.06 0.00 -0.08 0.74 -0.68 0.00 0.00 178.15 178.19 2dkw h THR 55 N 0.00 0.82 -0.82 -0.27 2.02 -1.56 -3.11 112.91 109.99 2dkw h THR 55 Ca 0.41 -1.12 0.20 0.00 0.77 0.00 0.00 66.41 66.67 2dkw h THR 55 Cb 1.99 1.38 -0.14 0.00 -1.74 0.00 0.00 68.15 69.64 2dkw h THR 55 CO -0.00 0.21 0.05 0.11 0.37 0.00 0.00 175.52 176.26 2dkw h LYS 56 N -0.87 0.10 0.53 6.66 1.79 -0.91 -1.13 116.57 122.74 2dkw h LYS 56 Ca -0.02 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2dkw h LYS 56 Cb 0.52 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2dkw h LYS 56 CO 0.04 0.07 -0.48 0.82 -1.08 0.00 0.00 179.45 178.82 2dkw h ILE 57 N 0.11 0.06 -0.92 1.86 2.04 -1.58 0.18 117.51 119.26 2dkw h ILE 57 Ca 0.47 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.59 2dkw h ILE 57 Cb 0.88 0.06 -0.15 0.00 -0.74 0.00 0.00 36.82 36.86 2dkw h ILE 57 CO -0.71 0.00 0.27 -0.78 0.00 0.00 0.00 178.15 176.93 2dkw h ASP 58 N -1.00 0.03 -0.19 1.72 3.58 -1.16 0.74 116.42 120.14 2dkw h ASP 58 Ca -0.06 0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.48 2dkw h ASP 58 Cb 0.86 0.28 -0.06 0.00 1.72 0.00 0.00 39.33 42.13 2dkw h ASP 58 CO -0.03 -0.20 0.15 0.29 -2.88 0.00 0.00 179.24 176.56 2dkw n LYS 59 N -5.24 1.28 -3.73 0.28 4.01 -0.81 -4.81 118.16 109.14 2dkw n LYS 59 Ca 0.24 -0.59 -0.31 0.00 -0.51 0.00 0.00 58.31 57.14 2dkw n LYS 59 Cb 0.77 -1.23 -0.06 0.00 -0.51 0.00 0.00 35.03 34.00 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 0.67 -0.85 -0.03 2.13 8.25 0.26 -4.77 115.22 120.88 2dkw n HIS 60 Ca 0.12 0.50 -0.13 0.00 -0.26 0.00 0.00 57.72 57.94 2dkw n HIS 60 Cb 0.61 -1.41 -0.11 0.00 1.12 0.00 0.00 29.99 30.20 2dkw n HIS 60 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2dkw h ASN 61 N -0.67 -0.03 -2.04 0.41 -0.73 -0.74 -3.40 115.58 108.39 2dkw h ASN 61 Ca -0.44 -0.68 -0.58 0.00 1.87 0.00 0.00 56.30 56.47 2dkw h ASN 61 Cb 1.01 0.01 -0.10 0.00 0.27 0.00 0.00 38.32 39.51 2dkw h ASN 61 CO 0.64 0.70 1.10 -0.31 -0.37 0.00 0.00 177.43 179.19 2dkw s TYR 62 N -3.18 2.46 0.09 0.67 2.02 -1.26 -4.82 117.35 113.34 2dkw s TYR 62 Ca -0.16 -0.43 0.05 0.00 -0.37 0.00 0.00 57.07 56.15 2dkw s TYR 62 Cb -0.01 -4.58 -0.23 0.00 -0.40 0.00 0.00 41.96 36.74 2dkw s TYR 62 CO 0.64 -1.94 1.16 1.37 -1.57 0.00 0.00 175.55 175.21 2dkw h LEU 63 N 12.57 0.10-10.29 -1.29 8.10 -1.98 -3.46 115.31 119.07 2dkw h LEU 63 Ca -0.11 -0.12 -0.58 0.00 0.11 0.00 0.00 57.88 57.18 2dkw h LEU 63 Cb 1.04 -0.03 -0.05 0.00 -0.44 0.00 0.00 40.66 41.17 2dkw h LEU 63 CO 1.30 1.09 -0.33 0.42 -4.11 0.00 0.00 178.44 176.81 2dkw s THR 64 N -2.68 1.78 -0.13 0.15 -4.23 -1.26 -4.72 115.64 104.55 2dkw s THR 64 Ca -0.01 -1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 58.90 2dkw s THR 64 Cb 0.09 -2.30 -0.26 0.00 1.34 0.00 0.00 72.50 71.38 2dkw s THR 64 CO 0.83 0.00 0.36 0.00 -0.54 0.00 0.00 174.62 175.28 2dkw h ALA 65 N 0.85 0.40 -0.80 3.99 0.00 -1.90 -3.34 119.26 118.46 2dkw h ALA 65 Ca -0.38 -1.36 0.01 0.00 0.00 0.00 0.00 54.91 53.18 2dkw h ALA 65 Cb 1.30 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 2dkw h ALA 65 CO 0.59 1.23 0.53 0.87 0.00 0.00 0.00 179.25 182.47 2dkw h LYS 66 N -0.05 1.04 -0.15 0.00 1.57 -1.97 -2.74 116.57 114.27 2dkw h LYS 66 Ca -0.41 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 2dkw h LYS 66 Cb 1.96 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.99 2dkw h LYS 66 CO 0.06 0.69 -0.10 -0.44 -0.57 0.00 0.00 179.45 179.09 2dkw h ASP 67 N 1.07 -0.31 -0.30 0.86 3.32 -2.00 0.57 116.42 119.63 2dkw h ASP 67 Ca 0.30 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.49 2dkw h ASP 67 Cb -0.10 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.54 2dkw h ASP 67 CO -0.07 -0.13 -0.28 0.15 -1.72 0.00 0.00 179.24 177.19 2dkw h PHE 68 N -0.09 -0.77 0.04 4.55 3.57 -1.61 -2.21 116.94 120.41 2dkw h PHE 68 Ca 0.09 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2dkw h PHE 68 Cb 0.23 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2dkw h PHE 68 CO -0.23 -0.35 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.41 2dkw h LEU 69 N -0.27 -0.04 -1.07 0.59 3.38 -1.29 -2.51 115.31 114.10 2dkw h LEU 69 Ca 0.15 -0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.51 2dkw h LEU 69 Cb 0.50 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.13 2dkw h LEU 69 CO -0.45 -0.03 0.66 0.29 0.09 0.00 0.00 178.44 179.01 2dkw n LYS 70 N -5.11 -0.04 0.00 1.13 5.02 0.16 0.23 118.16 119.56 2dkw n LYS 70 Ca -0.07 1.11 -0.18 0.00 -2.02 0.00 0.00 58.31 57.15 2dkw n LYS 70 Cb 0.05 -2.12 -0.10 0.00 -0.02 0.00 0.00 35.03 32.85 2dkw n LYS 70 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dkw h ASP 71 N 0.00 0.73 -0.48 4.39 5.19 -1.27 -3.21 116.42 121.77 2dkw h ASP 71 Ca 0.74 -0.70 0.07 0.00 -0.62 0.00 0.00 57.03 56.52 2dkw h ASP 71 Cb 2.26 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 41.52 2dkw h ASP 71 CO -0.49 1.33 0.33 0.40 -3.12 0.00 0.00 179.24 177.69 2dkw h ILE 72 N 0.20 0.93 0.00 0.35 1.08 0.30 0.55 117.51 120.92 2dkw h ILE 72 Ca -0.08 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 2dkw h ILE 72 Cb 1.40 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 2dkw h ILE 72 CO 0.15 0.06 -0.18 -0.78 -0.69 0.00 0.00 178.15 176.71 2dkw h ASP 73 N 0.34 0.00 -0.17 1.72 1.82 -1.26 -2.76 116.42 116.12 2dkw h ASP 73 Ca 0.22 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.68 2dkw h ASP 73 Cb 0.41 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.42 2dkw h ASP 73 CO -0.05 0.18 -0.56 0.25 -1.61 0.00 0.00 179.24 177.45 2dkw h LEU 74 N 0.00 0.79 -1.04 2.28 5.85 -0.96 -2.62 115.31 119.61 2dkw h LEU 74 Ca -0.00 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 58.19 2dkw h LEU 74 Cb 0.43 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2dkw h LEU 74 CO 0.02 1.25 0.64 0.40 -0.34 0.00 0.00 178.44 180.41 2dkw h ILE 75 N 0.38 1.07 0.00 4.05 2.04 -1.37 -0.38 117.51 123.29 2dkw h ILE 75 Ca -0.02 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 2dkw h ILE 75 Cb 1.19 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2dkw h ILE 75 CO 0.12 0.21 -0.32 0.00 0.00 0.00 0.00 178.15 178.15 2dkw h SER 77 N 0.00 -0.60 0.81 0.00 0.02 -0.69 -3.11 113.55 109.98 2dkw h SER 77 Ca -0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2dkw h SER 77 Cb 1.00 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 2dkw h SER 77 CO 0.04 -0.28 -0.16 -0.55 -1.14 0.00 0.00 176.83 174.74 2dkw h ASN 78 N -1.01 0.00 0.39 3.07 7.08 -1.54 0.15 115.58 123.73 2dkw h ASN 78 Ca -0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 2dkw h ASN 78 Cb 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.79 2dkw h ASN 78 CO 0.12 0.16 0.00 0.00 -2.08 0.00 0.00 177.43 175.63 2dkw n ALA 79 N -2.21 1.62 0.00 4.14 0.00 -0.68 -2.91 120.51 120.47 2dkw n ALA 79 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2dkw n ALA 79 Cb 0.36 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2dkw n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dkw n LEU 80 N -1.45 0.68 0.05 0.00 4.77 -0.92 -4.57 117.00 115.56 2dkw n LEU 80 Ca 0.04 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 2dkw n LEU 80 Cb 0.14 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2dkw n LEU 80 CO 0.11 0.01 0.50 -0.33 -1.33 0.00 0.00 177.39 176.36 2dkw h GLU 81 N 0.00 -0.15 0.15 3.23 5.08 -0.81 -3.25 114.58 118.84 2dkw h GLU 81 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2dkw h GLU 81 Cb 0.69 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2dkw h GLU 81 CO 0.00 -0.10 -0.22 1.88 -1.00 0.00 0.00 179.01 179.57 2dkw h TYR 82 N -0.16 -0.58 0.00 4.33 -1.99 -1.74 -3.41 116.97 113.42 2dkw h TYR 82 Ca -0.01 0.01 -0.29 0.00 2.00 0.00 0.00 58.73 60.44 2dkw h TYR 82 Cb 0.13 0.24 -0.07 0.00 2.00 0.00 0.00 36.73 39.03 2dkw h TYR 82 CO 0.00 -0.32 1.20 -1.71 -0.00 0.00 0.00 178.16 177.34 2dkw n ASN 83 N -5.34 -0.24 -4.77 3.88 2.85 -1.22 -4.80 115.26 105.61 2dkw n ASN 83 Ca -0.07 -0.06 -0.38 0.00 -0.11 0.00 0.00 54.58 53.96 2dkw n ASN 83 Cb 0.26 -0.50 -0.01 0.00 1.24 0.00 0.00 39.78 40.76 2dkw n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2dkw s PRO 84 N 5.32 3.88 -1.05 1.20 0.04 -1.26 -4.91 135.00 138.22 2dkw s PRO 84 Ca 0.87 1.82 -0.17 0.00 0.04 0.00 0.00 61.00 63.56 2dkw s PRO 84 Cb -0.71 -2.53 0.14 0.00 0.04 0.00 0.00 34.50 31.44 2dkw s PRO 84 CO 0.34 -0.46 1.28 0.16 0.04 0.00 0.00 177.00 178.35 2dkw s ASP 85 N -1.23 6.80 0.00 6.66 1.47 -1.26 -4.58 116.67 124.52 2dkw s ASP 85 Ca 0.61 -2.39 0.00 0.00 1.18 0.00 0.00 52.55 51.94 2dkw s ASP 85 Cb -0.30 -2.41 0.00 0.00 -0.34 0.00 0.00 42.92 39.87 2dkw s ASP 85 CO 0.37 -0.97 0.00 1.17 0.68 0.00 0.00 175.17 176.42 2dkw n LYS 86 N 6.37 0.00 -3.63 2.11 0.00 -1.26 -5.07 118.16 116.67 2dkw n LYS 86 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 58.27 2dkw n LYS 86 Cb 0.47 -0.41 -0.05 0.00 0.00 0.00 0.00 35.03 35.03 2dkw n LYS 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2dkw s ASP 87 N -4.91 6.57 0.06 3.14 1.47 -1.26 -4.98 116.67 116.76 2dkw s ASP 87 Ca 0.00 0.69 0.16 0.00 1.18 0.00 0.00 52.55 54.58 2dkw s ASP 87 Cb 0.00 -2.14 0.70 0.00 -0.34 0.00 0.00 42.92 41.14 2dkw s ASP 87 CO 0.00 0.14 1.52 -0.81 0.68 0.00 0.00 175.17 176.70 2dkw n PRO 88 N 0.64 0.05 -0.73 2.11 -0.04 -1.26 -3.26 135.00 132.50 2dkw n PRO 88 Ca -0.06 0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2dkw n PRO 88 Cb 0.52 -1.59 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 2dkw n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dkw n GLY 89 N -0.03 3.62 0.09 0.55 0.00 -1.26 -3.93 105.19 104.23 2dkw n GLY 89 Ca 0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 2dkw n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dkw n ASP 90 N 0.28 3.02 -0.35 1.61 2.03 -1.20 -4.60 116.55 117.33 2dkw n ASP 90 Ca 0.26 -0.04 0.14 0.00 0.52 0.00 0.00 54.79 55.66 2dkw n ASP 90 Cb 0.70 -0.18 0.28 0.00 -0.72 0.00 0.00 41.12 41.20 2dkw n ASP 90 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2dkw h LYS 91 N -0.03 0.00 -0.90 -0.67 1.57 -1.85 1.28 116.57 115.98 2dkw h LYS 91 Ca -0.24 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 2dkw h LYS 91 Cb 1.36 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.62 2dkw h LYS 91 CO -0.05 0.00 0.59 0.82 -0.57 0.00 0.00 179.45 180.25 2dkw h ILE 92 N 0.00 1.18 -0.71 1.86 5.03 -1.85 -2.35 117.51 120.67 2dkw h ILE 92 Ca 0.59 -0.40 0.12 0.00 -0.12 0.00 0.00 64.86 65.06 2dkw h ILE 92 Cb 1.19 -0.08 -0.09 0.00 -3.03 0.00 0.00 36.82 34.81 2dkw h ILE 92 CO -0.94 0.21 0.28 0.40 -0.68 0.00 0.00 178.15 177.42 2dkw h ILE 93 N 1.16 0.70 -0.66 -0.67 1.08 0.14 -0.80 117.51 118.46 2dkw h ILE 93 Ca 0.35 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.69 2dkw h ILE 93 Cb -0.04 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 33.89 2dkw h ILE 93 CO -0.10 0.08 0.41 0.03 -0.69 0.00 0.00 178.15 177.89 2dkw h ARG 94 N 0.44 0.80 -0.60 2.37 -0.00 -1.24 0.16 114.38 116.31 2dkw h ARG 94 Ca 0.38 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.81 2dkw h ARG 94 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 29.97 30.30 2dkw h ARG 94 CO -0.37 0.53 0.39 0.45 0.00 0.00 0.00 179.97 180.97 2dkw h HIS 95 N 0.82 0.77 0.54 3.04 3.86 -1.13 -0.63 115.15 122.43 2dkw h HIS 95 Ca 0.26 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.45 2dkw h HIS 95 Cb -0.01 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.21 2dkw h HIS 95 CO -0.04 0.50 -0.26 0.00 0.86 0.00 0.00 177.93 178.98 2dkw h ARG 96 N 0.82 -0.70 -0.02 2.45 3.08 -0.83 -2.72 114.38 116.45 2dkw h ARG 96 Ca 0.22 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.33 2dkw h ARG 96 Cb -0.07 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2dkw h ARG 96 CO -0.05 -0.45 -0.17 0.00 -1.07 0.00 0.00 179.97 178.23 2dkw h ALA 97 N -1.14 -0.61 -1.36 0.04 0.00 -0.70 0.43 119.26 115.94 2dkw h ALA 97 Ca -0.07 -0.02 0.41 0.00 0.00 0.00 0.00 54.91 55.22 2dkw h ALA 97 Cb 0.58 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2dkw h ALA 97 CO 0.12 -0.66 0.92 0.00 0.00 0.00 0.00 179.25 179.63 2dkw h THR 99 N 0.11 1.41 -0.91 0.00 2.02 -0.71 -3.26 112.91 111.56 2dkw h THR 99 Ca 0.75 -2.59 0.04 0.00 0.77 0.00 0.00 66.41 65.38 2dkw h THR 99 Cb 2.53 2.57 -0.05 0.00 -1.74 0.00 0.00 68.15 71.46 2dkw h THR 99 CO -0.24 0.77 0.59 0.25 0.37 0.00 0.00 175.52 177.26 2dkw h LEU 100 N 0.20 0.98 -0.01 2.58 5.85 0.54 0.62 115.31 126.07 2dkw h LEU 100 Ca -0.11 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2dkw h LEU 100 Cb 1.71 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2dkw h LEU 100 CO 0.18 0.67 -0.03 0.50 -0.34 0.00 0.00 178.44 179.42 2dkw h LYS 101 N 1.14 -0.04 -0.28 1.25 3.64 -1.47 -0.84 116.57 119.97 2dkw h LYS 101 Ca 0.37 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2dkw h LYS 101 Cb 0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2dkw h LYS 101 CO -0.12 -0.03 0.08 0.38 -2.27 0.00 0.00 179.45 177.49 2dkw h ASP 102 N -0.04 0.42 0.36 4.20 3.04 -1.52 -2.21 116.42 120.67 2dkw h ASP 102 Ca 0.02 -0.22 -0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2dkw h ASP 102 Cb 0.06 -0.11 -0.03 0.00 -1.04 0.00 0.00 39.33 38.21 2dkw h ASP 102 CO -0.04 0.53 -0.50 0.74 -2.04 0.00 0.00 179.24 177.93 2dkw h THR 103 N 0.29 0.03 -0.37 1.15 2.02 -0.71 0.54 112.91 115.86 2dkw h THR 103 Ca 0.09 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.35 2dkw h THR 103 Cb 0.26 0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 66.63 2dkw h THR 103 CO -0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.75 2dkw h ALA 104 N -0.69 0.16 0.00 6.16 0.00 -1.17 0.18 119.26 123.89 2dkw h ALA 104 Ca -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2dkw h ALA 104 Cb 0.82 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dkw h ALA 104 CO -0.14 -0.51 -0.11 0.45 0.00 0.00 0.00 179.25 178.93 2dkw h HIS 105 N -0.07 0.00 0.30 0.00 3.86 -1.10 -2.45 115.15 115.70 2dkw h HIS 105 Ca 0.18 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2dkw h HIS 105 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2dkw h HIS 105 CO -0.38 0.11 -0.15 0.00 0.86 0.00 0.00 177.93 178.38 2dkw h ALA 106 N 1.89 -0.41 -0.66 2.45 0.00 0.29 -1.84 119.26 120.99 2dkw h ALA 106 Ca -0.00 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.94 2dkw h ALA 106 Cb 0.31 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2dkw h ALA 106 CO 0.01 -0.38 0.16 0.82 0.00 0.00 0.00 179.25 179.86 2dkw h ILE 107 N -1.11 0.60 0.02 0.00 2.04 -0.92 0.10 117.51 118.25 2dkw h ILE 107 Ca -0.04 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2dkw h ILE 107 Cb 0.32 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2dkw h ILE 107 CO 0.07 0.05 -0.01 0.40 0.00 0.00 0.00 178.15 178.66 2dkw h ILE 108 N 0.28 1.10 -0.91 -0.67 1.08 -1.55 0.40 117.51 117.24 2dkw h ILE 108 Ca 0.35 -0.37 0.09 0.00 -0.39 0.00 0.00 64.86 64.54 2dkw h ILE 108 Cb 0.55 1.35 -0.06 0.00 -3.07 0.00 0.00 36.82 35.59 2dkw h ILE 108 CO -0.44 0.10 0.59 0.00 -0.69 0.00 0.00 178.15 177.70 2dkw h ALA 109 N 0.79 1.58 0.31 1.87 0.00 -0.51 0.57 119.26 123.88 2dkw h ALA 109 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2dkw h ALA 109 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2dkw h ALA 109 CO 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 179.25 179.35 2dkw h ALA 110 N 1.54 -0.54 0.28 0.00 0.00 -0.60 -3.39 119.26 116.55 2dkw h ALA 110 Ca 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2dkw h ALA 110 Cb 0.34 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dkw h ALA 110 CO -0.17 -0.51 -0.14 0.93 0.00 0.00 0.00 179.25 179.36 2dkw h GLU 111 N -0.84 -0.36 -5.94 0.00 5.08 -0.83 -3.43 114.58 108.25 2dkw h GLU 111 Ca -0.04 0.02 -0.87 0.00 -1.00 0.00 0.00 59.36 57.47 2dkw h GLU 111 Cb 0.32 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.67 2dkw h GLU 111 CO 0.07 -0.24 0.68 -0.11 -1.00 0.00 0.00 179.01 178.41 2dkw n LEU 112 N -3.15 1.19 -4.95 1.33 7.94 0.20 -4.92 117.00 114.65 2dkw n LEU 112 Ca -0.05 1.18 -0.24 0.00 -1.11 0.00 0.00 56.01 55.80 2dkw n LEU 112 Cb 0.15 -0.87 -0.03 0.00 0.53 0.00 0.00 43.42 43.20 2dkw n LEU 112 CO 0.11 -0.84 -0.08 -1.81 -1.11 0.00 0.00 177.39 173.67 2dkw s ASP 113 N 2.95 6.27 0.11 1.96 1.01 -1.26 -4.75 116.67 122.96 2dkw s ASP 113 Ca 1.04 0.09 0.18 0.00 0.71 0.00 0.00 52.55 54.58 2dkw s ASP 113 Cb -1.48 -1.85 0.77 0.00 1.01 0.00 0.00 42.92 41.37 2dkw s ASP 113 CO 0.81 -0.01 1.57 -0.81 0.21 0.00 0.00 175.17 176.94 2dkw n PRO 114 N -0.97 0.08 -0.08 8.23 -0.04 -1.26 -1.06 135.00 139.91 2dkw n PRO 114 Ca -0.08 0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2dkw n PRO 114 Cb 0.56 -1.66 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 2dkw n PRO 114 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dkw n GLU 115 N -1.82 0.68 0.08 0.54 0.28 -1.26 -3.68 120.64 115.46 2dkw n GLU 115 Ca 0.03 0.11 -0.18 0.00 -0.16 0.00 0.00 57.16 56.96 2dkw n GLU 115 Cb 0.19 -1.60 -0.14 0.00 1.43 0.00 0.00 31.44 31.32 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2dkw h PHE 116 N 0.01 0.54 -0.39 -1.84 3.57 -1.92 -3.20 116.94 113.72 2dkw h PHE 116 Ca -0.49 -0.39 -0.13 0.00 3.53 0.00 0.00 57.97 60.49 2dkw h PHE 116 Cb 2.11 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.82 2dkw h PHE 116 CO 0.01 1.40 -0.28 -0.97 -2.23 0.00 0.00 178.31 176.23 2dkw h ASN 117 N 0.08 0.92 0.32 0.41 -1.24 -1.30 -2.80 115.58 111.97 2dkw h ASN 117 Ca -0.22 -0.44 -0.04 0.00 0.71 0.00 0.00 56.30 56.31 2dkw h ASN 117 Cb 2.03 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.82 2dkw h ASN 117 CO 0.19 1.16 -0.18 0.07 -1.29 0.00 0.00 177.43 177.38 2dkw h LYS 118 N 0.68 0.00 -0.00 6.67 2.10 -1.68 -2.15 116.57 122.19 2dkw h LYS 118 Ca 0.07 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.56 2dkw h LYS 118 Cb 0.86 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.17 2dkw h LYS 118 CO 0.08 0.18 -0.78 -0.07 -2.00 0.00 0.00 179.45 176.86 2dkw h LEU 119 N 0.00 0.06 0.34 7.07 3.38 -1.50 -2.88 115.31 121.79 2dkw h LEU 119 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2dkw h LEU 119 Cb 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dkw h LEU 119 CO 0.02 0.81 -0.16 0.00 0.09 0.00 0.00 178.44 179.20 2dkw h GLU 121 N -0.86 0.00 0.20 0.00 4.11 -1.61 -1.70 114.58 114.71 2dkw h GLU 121 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2dkw h GLU 121 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2dkw h GLU 121 CO 0.08 0.00 -0.10 1.49 0.07 0.00 0.00 179.01 180.54 2dkw h GLU 122 N 0.00 -0.27 -0.84 1.06 4.57 -1.48 -2.72 114.58 114.89 2dkw h GLU 122 Ca 0.04 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2dkw h GLU 122 Cb 0.61 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.22 2dkw h GLU 122 CO -0.00 -0.18 0.56 0.82 -1.18 0.00 0.00 179.01 179.03 2dkw h ILE 123 N -0.28 1.21 -0.87 2.32 2.04 -1.36 0.29 117.51 120.85 2dkw h ILE 123 Ca -0.03 -0.39 0.19 0.00 1.00 0.00 0.00 64.86 65.64 2dkw h ILE 123 Cb 0.22 -0.02 -0.16 0.00 -0.74 0.00 0.00 36.82 36.11 2dkw h ILE 123 CO 0.04 0.21 -0.15 1.17 0.00 0.00 0.00 178.15 179.41 2dkw n LYS 124 N -4.41 -0.08 -0.12 2.37 4.81 -1.03 -0.23 118.16 119.48 2dkw n LYS 124 Ca 0.10 1.34 -0.25 0.00 -0.87 0.00 0.00 58.31 58.63 2dkw n LYS 124 Cb 0.03 -2.04 -0.09 0.00 0.02 0.00 0.00 35.03 32.95 2dkw n LYS 124 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2dkw n GLU 125 N -5.38 0.50 0.03 1.64 0.28 -1.07 -4.66 120.64 111.98 2dkw n GLU 125 Ca 0.16 0.22 -0.15 0.00 -0.16 0.00 0.00 57.16 57.23 2dkw n GLU 125 Cb 0.50 -1.34 -0.09 0.00 1.43 0.00 0.00 31.44 31.94 2dkw n GLU 125 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2dkw h SER 126 N -0.83 -1.57 -4.03 -1.84 0.87 -0.26 -3.42 113.55 102.47 2dkw h SER 126 Ca -0.60 0.18 -0.50 0.00 -1.23 0.00 0.00 61.79 59.64 2dkw h SER 126 Cb 1.53 0.61 0.04 0.00 -0.44 0.00 0.00 62.40 64.14 2dkw h SER 126 CO -0.36 -0.49 0.29 -0.83 -0.53 0.00 0.00 176.83 174.91 2dkw s GLY 127 N -2.34 1.67 0.88 5.77 0.00 0.68 -5.00 107.32 108.99 2dkw s GLY 127 Ca -0.16 -0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 2dkw s GLY 127 CO 0.62 0.02 1.09 2.56 0.00 0.00 0.00 173.10 177.39 2dkw s PRO 128 N -4.83 1.35 0.18 2.90 0.04 -1.26 -4.65 135.00 128.73 2dkw s PRO 128 Ca 0.53 0.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 2dkw s PRO 128 Cb -0.11 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2dkw s PRO 128 CO 0.47 -2.19 0.17 0.45 0.04 0.00 0.00 177.00 175.95 2dkw s SER 129 N -3.42 0.15 0.06 6.66 0.15 -1.26 -4.98 113.70 111.05 2dkw s SER 129 Ca 0.63 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2dkw s SER 129 Cb -0.18 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2dkw s SER 129 CO 0.57 -0.86 0.00 -0.24 1.20 0.00 0.00 173.24 173.91 2dkw n SER 130 N -0.23 0.12 0.00 5.45 2.88 -1.26 -5.26 113.62 115.32 2dkw n SER 130 Ca -0.01 0.09 0.13 0.00 -1.33 0.00 0.00 58.87 57.75 2dkw n SER 130 Cb 0.65 0.01 0.78 0.00 -0.75 0.00 0.00 64.21 64.90 2dkw n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42