#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 2.73 -2.12 1.61 7.64 -1.26 -4.93 113.62 117.28 2dkw n SER 2 Ca 0.00 1.12 -0.23 0.00 1.01 0.00 0.00 58.87 60.77 2dkw n SER 2 Cb 0.00 -1.52 0.02 0.00 -1.01 0.00 0.00 64.21 61.70 2dkw n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dkw n SER 3 N 0.19 4.74 0.00 6.43 7.64 -1.26 -5.07 113.62 126.29 2dkw n SER 3 Ca 0.06 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.27 2dkw n SER 3 Cb 0.40 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2dkw n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkw n GLY 4 N -0.67 2.79 0.32 0.23 0.00 -1.26 -4.81 105.19 101.79 2dkw n GLY 4 Ca 0.42 -2.02 0.28 0.00 0.00 0.00 0.00 46.02 44.70 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 0.22 -2.10 1.61 4.64 -2.02 -3.40 113.55 112.49 2dkw h SER 5 Ca 0.00 0.26 -0.39 0.00 -0.47 0.00 0.00 61.79 61.19 2dkw h SER 5 Cb 0.00 0.29 0.21 0.00 -0.31 0.00 0.00 62.40 62.59 2dkw h SER 5 CO 0.00 -0.39 -0.99 -1.54 -0.87 0.00 0.00 176.83 173.03 2dkw n SER 6 N -5.27 -2.64 0.00 4.97 3.41 -1.26 -4.71 113.62 108.11 2dkw n SER 6 Ca 0.35 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2dkw n SER 6 Cb 1.17 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 2.27 1.13 0.18 5.00 0.00 -1.26 -4.76 105.19 107.75 2dkw n GLY 7 Ca 0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2dkw n GLY 7 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2dkw h ASN 8 N 0.00 0.58 -1.05 1.61 -1.24 -1.96 -2.63 115.58 110.90 2dkw h ASN 8 Ca 0.00 -0.45 0.27 0.00 0.71 0.00 0.00 56.30 56.83 2dkw h ASN 8 Cb 0.00 -0.16 -0.11 0.00 0.73 0.00 0.00 38.32 38.78 2dkw h ASN 8 CO 0.00 0.91 0.65 0.74 -1.29 0.00 0.00 177.43 178.45 2dkw h THR 9 N 0.26 0.49 0.12 -3.57 2.02 -1.89 0.13 112.91 110.46 2dkw h THR 9 Ca 0.04 -0.15 -0.30 0.00 0.77 0.00 0.00 66.41 66.78 2dkw h THR 9 Cb 0.73 0.02 0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2dkw h THR 9 CO 0.05 0.08 -1.24 -0.07 0.37 0.00 0.00 175.52 174.71 2dkw h LEU 10 N 0.43 0.85 -0.88 2.58 3.38 -1.90 -3.31 115.31 116.45 2dkw h LEU 10 Ca 0.63 -0.79 0.21 0.00 0.09 0.00 0.00 57.88 58.03 2dkw h LEU 10 Cb 1.50 -0.27 -0.16 0.00 0.09 0.00 0.00 40.66 41.82 2dkw h LEU 10 CO -0.38 1.59 -0.03 -0.09 0.09 0.00 0.00 178.44 179.63 2dkw h ARG 11 N 0.27 0.05 -0.69 1.13 9.65 -0.36 0.59 114.38 125.01 2dkw h ARG 11 Ca -0.18 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.67 2dkw h ARG 11 Cb 1.91 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.45 2dkw h ARG 11 CO 0.24 0.03 0.34 0.93 2.80 0.00 0.00 179.97 184.31 2dkw h GLU 12 N 0.05 1.00 0.26 0.20 5.08 -1.60 -3.09 114.58 116.48 2dkw h GLU 12 Ca 0.49 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 2dkw h GLU 12 Cb 0.92 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2dkw h GLU 12 CO -0.82 0.78 -0.12 1.25 -1.00 0.00 0.00 179.01 179.10 2dkw h LEU 13 N 0.97 -0.30 -0.98 1.33 5.85 -0.09 -0.89 115.31 121.20 2dkw h LEU 13 Ca 0.24 -0.13 0.31 0.00 0.84 0.00 0.00 57.88 59.14 2dkw h LEU 13 Cb 0.11 0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.04 2dkw h LEU 13 CO -0.03 -0.04 0.15 -1.14 -0.34 0.00 0.00 178.44 177.05 2dkw n ARG 14 N -5.15 -0.07 0.09 1.25 0.63 0.69 0.12 116.66 114.21 2dkw n ARG 14 Ca -0.10 1.44 -0.15 0.00 -0.92 0.00 0.00 57.85 58.13 2dkw n ARG 14 Cb 0.22 -2.37 -0.10 0.00 0.45 0.00 0.00 32.46 30.66 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 0.50 0.50 6.15 3.38 -1.46 -2.80 115.31 121.58 2dkw h LEU 15 Ca 0.66 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2dkw h LEU 15 Cb 1.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2dkw h LEU 15 CO -0.88 1.32 -0.40 0.15 0.09 0.00 0.00 178.44 178.72 2dkw h PHE 16 N 0.15 -1.08 0.57 1.13 3.57 0.24 -0.37 116.94 121.14 2dkw h PHE 16 Ca -0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 2dkw h PHE 16 Cb 1.81 0.41 0.01 0.00 2.79 0.00 0.00 35.95 40.97 2dkw h PHE 16 CO 0.07 -0.55 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.25 2dkw h LEU 17 N -0.87 -0.65 -1.60 0.59 3.38 -1.20 -1.01 115.31 113.96 2dkw h LEU 17 Ca -0.06 0.02 0.50 0.00 0.09 0.00 0.00 57.88 58.43 2dkw h LEU 17 Cb 0.72 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 2dkw h LEU 17 CO 0.01 -0.45 1.05 -0.09 0.09 0.00 0.00 178.44 179.05 2dkw h ARG 18 N -0.81 0.02 -0.00 1.13 2.43 -1.57 0.65 114.38 116.23 2dkw h ARG 18 Ca -0.08 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2dkw h ARG 18 Cb 0.59 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2dkw h ARG 18 CO 0.13 0.01 -0.04 0.22 -1.51 0.00 0.00 179.97 178.78 2dkw h ASP 19 N 0.02 0.04 0.23 -3.80 3.58 -0.74 -2.46 116.42 113.29 2dkw h ASP 19 Ca 0.88 -0.73 0.01 0.00 0.42 0.00 0.00 57.03 57.61 2dkw h ASP 19 Cb 3.08 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 44.09 2dkw h ASP 19 CO -0.31 0.77 -0.29 0.58 -2.88 0.00 0.00 179.24 177.11 2dkw h VAL 20 N -0.68 0.39 -0.01 2.25 2.07 0.16 -2.53 116.25 117.89 2dkw h VAL 20 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2dkw h VAL 20 Cb 0.77 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2dkw h VAL 20 CO 0.01 0.00 -0.14 0.74 0.02 0.00 0.00 177.57 178.19 2dkw h THR 21 N -0.57 0.64 -0.52 2.57 2.02 -1.22 -2.99 112.91 112.84 2dkw h THR 21 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2dkw h THR 21 Cb 0.55 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 2dkw h THR 21 CO -0.09 0.00 -0.40 0.50 0.37 0.00 0.00 175.52 175.90 2dkw h LYS 22 N -0.24 -0.11 -0.94 6.66 1.63 -1.27 0.26 116.57 122.58 2dkw h LYS 22 Ca 0.05 0.01 0.27 0.00 -0.85 0.00 0.00 60.65 60.13 2dkw h LYS 22 Cb 0.30 0.02 -0.16 0.00 -0.60 0.00 0.00 32.23 31.80 2dkw h LYS 22 CO -0.15 -0.07 0.20 -0.09 -3.45 0.00 0.00 179.45 175.89 2dkw h ARG 23 N -0.11 0.10 0.63 1.90 2.43 -1.34 0.22 114.38 118.21 2dkw h ARG 23 Ca 0.09 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2dkw h ARG 23 Cb 0.33 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2dkw h ARG 23 CO -0.55 0.07 -0.30 -0.07 -1.51 0.00 0.00 179.97 177.61 2dkw h LEU 24 N 0.10 -0.71 -0.30 3.80 3.38 -0.45 -1.93 115.31 119.21 2dkw h LEU 24 Ca 0.61 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.66 2dkw h LEU 24 Cb 1.32 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 42.17 2dkw h LEU 24 CO -0.77 -0.44 -0.43 0.00 0.09 0.00 0.00 178.44 176.89 2dkw h ALA 25 N -1.47 -0.51 -0.43 1.53 0.00 0.22 -2.04 119.26 116.57 2dkw h ALA 25 Ca -0.09 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2dkw h ALA 25 Cb 0.65 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 2dkw h ALA 25 CO 0.14 -0.90 -0.32 1.79 0.00 0.00 0.00 179.25 179.96 2dkw h THR 26 N -0.39 0.23 -1.20 0.00 1.35 -0.69 -3.34 112.91 108.86 2dkw h THR 26 Ca 0.11 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 65.30 2dkw h THR 26 Cb 0.60 0.23 0.10 0.00 -1.73 0.00 0.00 68.15 67.35 2dkw h THR 26 CO -0.51 0.00 -0.37 0.47 -0.25 0.00 0.00 175.52 174.87 2dkw n ASP 27 N -5.42 -0.74 0.00 5.36 8.00 -0.72 -4.79 116.55 118.24 2dkw n ASP 27 Ca 0.01 1.14 0.12 0.00 0.71 0.00 0.00 54.79 56.77 2dkw n ASP 27 Cb 0.34 -1.00 0.68 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.05 0.64 0.02 -1.24 5.02 -1.26 -2.47 118.16 119.92 2dkw n LYS 28 Ca 0.17 0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 2dkw n LYS 28 Cb 0.24 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 2dkw n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dkw h ARG 29 N 0.00 0.30 -0.49 1.97 -0.00 -1.86 -3.37 114.38 110.93 2dkw h ARG 29 Ca 0.00 -0.51 -0.20 0.00 -0.50 0.00 0.00 59.98 58.77 2dkw h ARG 29 Cb 0.06 0.19 -0.12 0.00 0.00 0.00 0.00 29.97 30.10 2dkw h ARG 29 CO 0.00 1.24 0.11 1.19 0.00 0.00 0.00 179.97 182.51 2dkw n PHE 30 N -3.59 1.57 0.60 3.04 3.72 -1.17 -4.50 117.46 117.12 2dkw n PHE 30 Ca -0.29 -1.43 0.13 0.00 -0.05 0.00 0.00 57.45 55.81 2dkw n PHE 30 Cb 1.03 -0.56 0.39 0.00 -0.94 0.00 0.00 39.48 39.41 2dkw n PHE 30 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2dkw h ASN 31 N 1.40 0.00 1.33 4.37 -0.73 -1.61 -3.17 115.58 117.17 2dkw h ASN 31 Ca 0.25 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.30 2dkw h ASN 31 Cb 1.91 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.48 2dkw h ASN 31 CO 0.52 0.00 -0.56 0.16 -0.37 0.00 0.00 177.43 177.18 2dkw h ILE 32 N 0.00 0.99 -0.01 2.57 3.07 -1.87 -3.12 117.51 119.14 2dkw h ILE 32 Ca 0.00 -2.29 0.00 0.00 1.55 0.00 0.00 64.86 64.12 2dkw h ILE 32 Cb 0.76 2.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.72 2dkw h ILE 32 CO 0.00 0.54 -0.25 0.49 -1.05 0.00 0.00 178.15 177.89 2dkw n PHE 33 N -3.29 0.00 0.24 0.16 3.72 -1.20 -3.77 117.46 113.33 2dkw n PHE 33 Ca 0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 2dkw n PHE 33 Cb 0.73 -0.14 0.43 0.00 -0.94 0.00 0.00 39.48 39.56 2dkw n PHE 33 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2dkw h SER 34 N 1.03 0.00 -3.29 4.37 0.02 -1.59 -3.14 113.55 110.95 2dkw h SER 34 Ca 0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 2dkw h SER 34 Cb 0.48 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.88 2dkw h SER 34 CO 0.00 0.09 -0.70 -1.59 -1.14 0.00 0.00 176.83 173.48 2dkw s LYS 35 N -3.47 1.37 -0.52 3.45 -2.85 -1.25 -3.74 119.74 112.73 2dkw s LYS 35 Ca 0.03 -1.65 -0.27 0.00 -1.00 0.00 0.00 55.97 53.08 2dkw s LYS 35 Cb 0.08 -1.01 -0.02 0.00 -2.06 0.00 0.00 37.83 34.82 2dkw s LYS 35 CO 0.62 0.09 1.81 -1.25 0.10 0.00 0.00 175.35 176.72 2dkw s PRO 36 N -3.71 2.88 -0.81 1.78 0.04 -1.26 -4.88 135.00 129.04 2dkw s PRO 36 Ca 0.25 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 62.05 2dkw s PRO 36 Cb 0.02 -4.31 -0.15 0.00 0.04 0.00 0.00 34.50 30.09 2dkw s PRO 36 CO 0.08 -2.42 3.02 1.33 0.04 0.00 0.00 177.00 179.05 2dkw n VAL 37 N 7.25 3.37 -4.30 -0.36 0.24 -1.26 -4.81 118.33 118.45 2dkw n VAL 37 Ca 0.21 -1.89 -0.16 0.00 -2.04 0.00 0.00 64.34 60.45 2dkw n VAL 37 Cb 0.50 -2.26 -0.05 0.00 -1.47 0.00 0.00 33.84 30.56 2dkw n VAL 37 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2dkw n SER 38 N 3.20 0.64 0.00 -1.34 7.64 -1.26 -5.02 113.62 117.47 2dkw n SER 38 Ca 0.57 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.92 2dkw n SER 38 Cb 0.49 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 64.54 2dkw n SER 38 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dkw n ASP 39 N -1.81 0.00 -4.65 6.43 8.00 -1.26 -4.98 116.55 118.28 2dkw n ASP 39 Ca -0.01 0.00 -0.51 0.00 0.71 0.00 0.00 54.79 54.98 2dkw n ASP 39 Cb 0.43 -0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 2dkw n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dkw n TYR 40 N -2.35 1.97 -0.26 1.24 9.36 -1.26 -4.78 117.16 121.09 2dkw n TYR 40 Ca 0.00 0.40 0.26 0.00 3.32 0.00 0.00 57.90 61.88 2dkw n TYR 40 Cb 0.00 -2.47 0.47 0.00 -0.63 0.00 0.00 39.34 36.71 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 4.04 0.27 -3.16 2.98 -0.00 -1.26 -3.85 117.00 116.02 2dkw n LEU 41 Ca 0.20 1.30 0.03 0.00 -0.00 0.00 0.00 56.01 57.55 2dkw n LEU 41 Cb 0.22 -0.64 -0.01 0.00 -0.00 0.00 0.00 43.42 43.00 2dkw n LEU 41 CO 0.68 -1.46 0.12 -1.61 -0.00 0.00 0.00 177.39 175.12 2dkw s GLU 42 N -5.19 0.55 0.00 1.47 2.02 -1.26 -5.00 118.70 111.30 2dkw s GLU 42 Ca -0.07 0.75 0.00 0.00 0.02 0.00 0.00 54.97 55.67 2dkw s GLU 42 Cb 0.27 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.86 2dkw s GLU 42 CO 0.62 -0.84 0.13 1.55 0.02 0.00 0.00 175.26 176.74 2dkw n VAL 43 N 5.42 0.00 -3.47 2.63 3.14 -1.25 -5.06 118.33 119.73 2dkw n VAL 43 Ca 0.02 -0.20 -0.37 0.00 -2.96 0.00 0.00 64.34 60.82 2dkw n VAL 43 Cb 0.52 1.38 -0.06 0.00 -1.06 0.00 0.00 33.84 34.62 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 -0.15 4.99 -0.09 1.55 1.09 -1.26 -5.01 121.20 122.32 2dkw s ILE 44 Ca 0.00 0.80 -0.24 0.00 -1.10 0.00 0.00 60.65 60.10 2dkw s ILE 44 Cb 0.00 -3.72 -0.28 0.00 -1.06 0.00 0.00 42.46 37.40 2dkw s ILE 44 CO 0.00 0.47 0.79 0.11 -0.10 0.00 0.00 174.94 176.21 2dkw h LYS 45 N 4.32 0.17 -2.32 2.79 1.57 -2.03 -3.38 116.57 117.68 2dkw h LYS 45 Ca -0.50 -0.28 -0.65 0.00 -1.87 0.00 0.00 60.65 57.34 2dkw h LYS 45 Cb 1.21 0.11 -0.39 0.00 0.08 0.00 0.00 32.23 33.24 2dkw h LYS 45 CO 0.63 1.14 -0.25 -0.85 -0.57 0.00 0.00 179.45 179.55 2dkw n GLU 46 N -4.31 3.39 -2.16 3.15 0.28 -1.26 -5.06 120.64 114.68 2dkw n GLU 46 Ca -0.14 -4.74 -0.42 0.00 -0.16 0.00 0.00 57.16 51.70 2dkw n GLU 46 Cb 0.69 -2.31 -0.03 0.00 1.43 0.00 0.00 31.44 31.23 2dkw n GLU 46 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2dkw s PRO 47 N -3.13 4.22 -0.08 3.44 0.04 -1.26 -4.96 135.00 133.27 2dkw s PRO 47 Ca 0.42 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 2dkw s PRO 47 Cb 0.19 -3.79 0.04 0.00 0.04 0.00 0.00 34.50 30.98 2dkw s PRO 47 CO -0.06 -0.73 0.17 1.41 0.04 0.00 0.00 177.00 177.83 2dkw s MET 48 N 3.36 0.10 0.24 4.56 1.75 -1.26 -5.10 119.30 122.94 2dkw s MET 48 Ca 0.66 0.45 -0.01 0.00 -1.25 0.00 0.00 55.69 55.54 2dkw s MET 48 Cb -0.30 -0.18 -0.03 0.00 2.84 0.00 0.00 34.83 37.15 2dkw s MET 48 CO 0.25 -0.20 0.21 -0.51 -0.65 0.00 0.00 175.02 174.13 2dkw s ASP 49 N 1.46 0.46 0.18 1.11 1.11 -1.26 -4.41 116.67 115.32 2dkw s ASP 49 Ca -0.06 -1.42 0.19 0.00 0.18 0.00 0.00 52.55 51.44 2dkw s ASP 49 Cb -0.12 0.45 0.84 0.00 1.07 0.00 0.00 42.92 45.16 2dkw s ASP 49 CO -0.06 -0.94 1.58 0.18 1.18 0.00 0.00 175.17 177.11 2dkw n LEU 50 N -0.36 0.43 -0.04 1.23 4.77 -1.19 -2.70 117.00 119.14 2dkw n LEU 50 Ca 0.03 0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 56.49 2dkw n LEU 50 Cb 0.65 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 2dkw n LEU 50 CO 0.32 -0.53 0.49 -1.28 -1.33 0.00 0.00 177.39 175.05 2dkw h SER 51 N 0.00 0.07 0.74 -1.43 0.87 -1.82 -2.79 113.55 109.18 2dkw h SER 51 Ca 0.00 -0.74 -0.05 0.00 -1.23 0.00 0.00 61.79 59.77 2dkw h SER 51 Cb 0.25 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2dkw h SER 51 CO 0.00 0.79 -0.23 0.00 -0.53 0.00 0.00 176.83 176.87 2dkw h THR 52 N -0.66 0.63 0.26 2.23 1.03 -1.86 -3.13 112.91 111.43 2dkw h THR 52 Ca -0.01 -1.03 -0.01 0.00 -0.01 0.00 0.00 66.41 65.35 2dkw h THR 52 Cb 0.80 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 2dkw h THR 52 CO 0.01 0.22 -0.13 0.58 -0.01 0.00 0.00 175.52 176.20 2dkw h VAL 53 N 0.00 0.66 -0.46 0.00 2.07 -1.55 -0.97 116.25 116.00 2dkw h VAL 53 Ca -0.00 -0.84 0.13 0.00 0.82 0.00 0.00 66.70 66.81 2dkw h VAL 53 Cb 0.66 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2dkw h VAL 53 CO 0.03 0.15 0.43 0.40 0.02 0.00 0.00 177.57 178.60 2dkw h ILE 54 N -0.87 0.46 0.05 4.57 2.04 -1.50 -1.44 117.51 120.81 2dkw h ILE 54 Ca -0.04 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 2dkw h ILE 54 Cb 0.51 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2dkw h ILE 54 CO 0.06 0.00 -0.56 0.74 0.00 0.00 0.00 178.15 178.39 2dkw h THR 55 N 0.00 1.50 -0.93 -0.27 2.02 -1.48 -3.35 112.91 110.40 2dkw h THR 55 Ca 0.22 -2.37 0.21 0.00 0.77 0.00 0.00 66.41 65.24 2dkw h THR 55 Cb 1.08 3.08 -0.12 0.00 -1.74 0.00 0.00 68.15 70.45 2dkw h THR 55 CO -0.00 0.60 0.48 0.11 0.37 0.00 0.00 175.52 177.07 2dkw h LYS 56 N -0.78 0.51 -0.16 6.66 1.57 -0.11 0.59 116.57 124.86 2dkw h LYS 56 Ca -0.13 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2dkw h LYS 56 Cb 1.29 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2dkw h LYS 56 CO 0.01 0.34 0.15 0.82 -0.57 0.00 0.00 179.45 180.19 2dkw h ILE 57 N 0.53 0.62 0.02 1.86 2.04 -1.56 -0.01 117.51 121.01 2dkw h ILE 57 Ca 0.57 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 66.21 2dkw h ILE 57 Cb 1.01 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2dkw h ILE 57 CO -0.47 0.00 -1.04 -0.78 0.00 0.00 0.00 178.15 175.87 2dkw h ASP 58 N 0.00 0.08 -0.04 1.72 3.58 0.05 -3.15 116.42 118.66 2dkw h ASP 58 Ca 0.07 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2dkw h ASP 58 Cb 0.37 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2dkw h ASP 58 CO -0.00 1.06 0.00 0.29 -2.88 0.00 0.00 179.24 177.71 2dkw n LYS 59 N -3.39 1.18 -3.22 0.28 4.01 -0.06 -4.89 118.16 112.07 2dkw n LYS 59 Ca -0.02 -0.27 -0.16 0.00 -0.51 0.00 0.00 58.31 57.36 2dkw n LYS 59 Cb 0.95 -1.32 0.06 0.00 -0.51 0.00 0.00 35.03 34.21 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 -0.52 -1.94 -0.01 2.13 8.25 -0.99 -4.98 115.22 117.16 2dkw n HIS 60 Ca 0.15 0.71 -0.00 0.00 -0.26 0.00 0.00 57.72 58.31 2dkw n HIS 60 Cb 0.13 -3.95 -0.00 0.00 1.12 0.00 0.00 29.99 27.29 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 -1.79 0.00 -2.62 0.41 -0.26 -1.67 -3.46 115.58 106.19 2dkw h ASN 61 Ca -0.41 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 54.81 2dkw h ASN 61 Cb 1.26 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 38.57 2dkw h ASN 61 CO 0.39 0.11 1.05 -0.31 -1.06 0.00 0.00 177.43 177.60 2dkw s TYR 62 N -1.14 2.65 -0.01 1.19 2.02 -1.26 -4.87 117.35 115.92 2dkw s TYR 62 Ca -0.01 0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.96 2dkw s TYR 62 Cb 0.00 -4.16 -0.08 0.00 -0.40 0.00 0.00 41.96 37.32 2dkw s TYR 62 CO 0.01 -4.54 0.12 1.47 -1.57 0.00 0.00 175.55 171.04 2dkw n LEU 63 N 4.53 0.01 -4.57 -1.29 -0.00 -1.26 -4.87 117.00 109.54 2dkw n LEU 63 Ca 0.17 -0.01 -0.27 0.00 -0.00 0.00 0.00 56.01 55.90 2dkw n LEU 63 Cb 0.36 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.69 2dkw n LEU 63 CO 0.65 0.00 -0.24 0.42 -0.00 0.00 0.00 177.39 178.22 2dkw s THR 64 N -2.35 1.02 -0.18 1.47 -4.23 -1.26 -4.56 115.64 105.56 2dkw s THR 64 Ca -0.02 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.71 2dkw s THR 64 Cb 0.03 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.31 2dkw s THR 64 CO 0.22 0.00 0.88 0.00 -0.54 0.00 0.00 174.62 175.18 2dkw n ALA 65 N -0.95 2.48 -0.07 3.99 0.00 -1.26 -3.96 120.51 120.74 2dkw n ALA 65 Ca -0.08 -0.35 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 2dkw n ALA 65 Cb 0.66 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 2dkw n ALA 65 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dkw h LYS 66 N 0.00 0.00 -0.59 0.00 3.64 -2.00 -3.24 116.57 114.38 2dkw h LYS 66 Ca -0.03 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.50 2dkw h LYS 66 Cb 1.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2dkw h LYS 66 CO 0.01 1.00 0.42 -0.44 -2.27 0.00 0.00 179.45 178.16 2dkw h ASP 67 N -1.00 0.10 -0.31 4.20 5.19 -2.00 -0.85 116.42 121.74 2dkw h ASP 67 Ca -0.01 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 2dkw h ASP 67 Cb 1.01 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 2dkw h ASP 67 CO -0.01 0.05 -0.04 0.15 -3.12 0.00 0.00 179.24 176.28 2dkw h PHE 68 N 0.10 0.64 -0.14 4.55 3.04 -1.69 -3.19 116.94 120.27 2dkw h PHE 68 Ca 0.28 -0.13 0.03 0.00 3.98 0.00 0.00 57.97 62.14 2dkw h PHE 68 Cb 0.98 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.29 2dkw h PHE 68 CO -0.00 0.74 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.88 2dkw h LEU 69 N 0.37 -0.26 -0.90 0.59 3.38 -1.18 -2.19 115.31 115.11 2dkw h LEU 69 Ca 0.08 0.06 0.31 0.00 0.09 0.00 0.00 57.88 58.43 2dkw h LEU 69 Cb 0.50 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.23 2dkw h LEU 69 CO 0.02 -0.11 0.25 0.29 0.09 0.00 0.00 178.44 178.99 2dkw n LYS 70 N -5.22 -0.06 -0.17 1.13 5.02 -1.08 0.18 118.16 117.95 2dkw n LYS 70 Ca -0.03 1.30 -0.08 0.00 -2.02 0.00 0.00 58.31 57.47 2dkw n LYS 70 Cb 0.14 -2.19 0.01 0.00 -0.02 0.00 0.00 35.03 32.97 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 0.68 -0.92 4.39 5.19 -1.48 -2.67 116.42 121.61 2dkw h ASP 71 Ca 0.66 -0.18 0.08 0.00 -0.62 0.00 0.00 57.03 56.96 2dkw h ASP 71 Cb 1.58 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.85 2dkw h ASP 71 CO -0.77 0.68 0.59 0.40 -3.12 0.00 0.00 179.24 177.03 2dkw h ILE 72 N 0.64 1.04 -0.59 0.35 1.08 0.19 -1.68 117.51 118.55 2dkw h ILE 72 Ca 0.16 -0.35 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 2dkw h ILE 72 Cb 0.23 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 2dkw h ILE 72 CO -0.01 0.18 0.14 -0.78 -0.69 0.00 0.00 178.15 177.00 2dkw h ASP 73 N 1.01 0.90 0.04 1.72 1.82 -1.04 -2.55 116.42 118.32 2dkw h ASP 73 Ca 0.41 -0.23 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 2dkw h ASP 73 Cb 0.26 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 2dkw h ASP 73 CO -0.16 0.90 -0.06 0.25 -1.61 0.00 0.00 179.24 178.55 2dkw h LEU 74 N 0.86 0.07 0.70 2.28 5.85 -1.00 -2.27 115.31 121.79 2dkw h LEU 74 Ca 0.18 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2dkw h LEU 74 Cb 0.35 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2dkw h LEU 74 CO 0.00 0.15 -0.44 0.40 -0.34 0.00 0.00 178.44 178.21 2dkw h ILE 75 N 0.07 0.00 -0.83 4.05 2.04 -0.99 0.28 117.51 122.13 2dkw h ILE 75 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2dkw h ILE 75 Cb 0.16 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.20 2dkw h ILE 75 CO 0.01 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.70 2dkw h SER 77 N 1.07 0.54 -0.27 0.00 0.02 -1.25 -0.24 113.55 113.42 2dkw h SER 77 Ca 0.32 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2dkw h SER 77 Cb -0.04 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2dkw h SER 77 CO -0.10 0.41 0.01 0.78 -1.14 0.00 0.00 176.83 176.79 2dkw h ASN 78 N 0.62 0.54 0.00 3.07 2.35 0.01 -1.99 115.58 120.19 2dkw h ASN 78 Ca 0.17 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2dkw h ASN 78 Cb -0.05 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.18 2dkw h ASN 78 CO -0.03 0.61 0.00 0.00 -1.65 0.00 0.00 177.43 176.35 2dkw n ALA 79 N -2.48 -0.15 -0.33 -0.83 0.00 -0.58 -1.70 120.51 114.45 2dkw n ALA 79 Ca 0.02 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.71 2dkw n ALA 79 Cb 0.25 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.18 2dkw n ALA 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dkw h LEU 80 N 0.00 0.13 0.23 0.00 3.38 -1.16 0.30 115.31 118.20 2dkw h LEU 80 Ca 0.00 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2dkw h LEU 80 Cb 0.00 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2dkw h LEU 80 CO 0.00 -0.36 -0.11 -0.33 0.09 0.00 0.00 178.44 177.73 2dkw h GLU 81 N 0.06 -0.30 -2.85 1.13 5.08 -1.45 -3.24 114.58 113.01 2dkw h GLU 81 Ca 0.75 0.02 -0.73 0.00 -1.00 0.00 0.00 59.36 58.41 2dkw h GLU 81 Cb 1.85 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 31.08 2dkw h GLU 81 CO -0.78 -0.06 2.71 0.66 -1.00 0.00 0.00 179.01 180.55 2dkw n TYR 82 N -5.14 2.63 -3.64 4.33 4.02 0.11 -4.83 117.16 114.63 2dkw n TYR 82 Ca -0.09 -2.88 -0.07 0.00 -0.01 0.00 0.00 57.90 54.84 2dkw n TYR 82 Cb 0.21 -2.01 -0.07 0.00 -0.02 0.00 0.00 39.34 37.44 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 0.90 -0.35 1.10 7.72 0.01 -1.15 -4.86 114.94 118.31 2dkw s ASN 83 Ca 0.56 0.67 -0.16 0.00 -0.71 0.00 0.00 52.86 53.22 2dkw s ASN 83 Cb 0.17 0.71 0.24 0.00 0.41 0.00 0.00 41.25 42.78 2dkw s ASN 83 CO -0.08 -0.11 1.10 -2.16 -1.51 0.00 0.00 177.10 174.34 2dkw s PRO 84 N 0.25 -0.41 0.00 -0.60 0.04 -1.26 -4.94 135.00 128.08 2dkw s PRO 84 Ca 0.03 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2dkw s PRO 84 Cb -0.05 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2dkw s PRO 84 CO -0.09 -3.23 0.00 -3.47 0.04 0.00 0.00 177.00 170.25 2dkw n ASP 85 N -4.47 1.90 -0.37 6.66 2.03 -1.26 -4.67 116.55 116.37 2dkw n ASP 85 Ca 0.09 0.00 0.27 0.00 0.52 0.00 0.00 54.79 55.67 2dkw n ASP 85 Cb 0.58 0.02 0.54 0.00 -0.72 0.00 0.00 41.12 41.54 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 0.00 0.27 -7.01 -0.67 3.64 -2.02 -3.40 116.57 107.38 2dkw h LYS 86 Ca 0.00 -0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 58.91 2dkw h LYS 86 Cb 0.47 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2dkw h LYS 86 CO 0.00 0.18 0.35 0.16 -2.27 0.00 0.00 179.45 177.87 2dkw s ASP 87 N -4.89 6.97 0.01 4.20 -4.77 -1.26 -5.00 116.67 111.94 2dkw s ASP 87 Ca -0.09 1.77 -0.23 0.00 -3.30 0.00 0.00 52.55 50.70 2dkw s ASP 87 Cb 0.29 -2.55 -0.17 0.00 -1.09 0.00 0.00 42.92 39.39 2dkw s ASP 87 CO 0.80 -0.34 1.31 1.55 0.70 0.00 0.00 175.17 179.20 2dkw h PRO 88 N 2.21 0.21 -0.68 2.11 0.13 -1.98 -3.16 132.00 130.84 2dkw h PRO 88 Ca -0.48 -0.11 0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2dkw h PRO 88 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2dkw h PRO 88 CO 0.62 0.64 -0.40 0.41 -0.23 0.00 0.00 178.00 179.03 2dkw n GLY 89 N 0.21 -2.47 0.37 1.56 0.00 -1.26 0.43 105.19 104.02 2dkw n GLY 89 Ca -0.07 0.94 0.03 0.00 0.00 0.00 0.00 46.02 46.92 2dkw n GLY 89 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dkw h ASP 90 N 0.00 1.04 -0.71 1.61 3.32 -1.86 -2.88 116.42 116.94 2dkw h ASP 90 Ca 0.11 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.27 2dkw h ASP 90 Cb 0.28 -0.21 -0.11 0.00 0.22 0.00 0.00 39.33 39.51 2dkw h ASP 90 CO -0.64 0.66 -0.31 1.17 -1.72 0.00 0.00 179.24 178.40 2dkw n LYS 91 N -4.50 -0.20 0.07 3.56 0.00 0.17 0.29 118.16 117.54 2dkw n LYS 91 Ca 0.15 1.09 -0.14 0.00 0.00 0.00 0.00 58.31 59.42 2dkw n LYS 91 Cb 0.19 -1.62 -0.07 0.00 0.00 0.00 0.00 35.03 33.53 2dkw n LYS 91 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2dkw h ILE 92 N 0.00 0.15 -0.65 3.15 2.04 -1.43 -2.35 117.51 118.43 2dkw h ILE 92 Ca 0.22 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.19 2dkw h ILE 92 Cb 0.40 0.15 -0.11 0.00 -0.74 0.00 0.00 36.82 36.52 2dkw h ILE 92 CO -0.70 0.00 -0.22 -0.38 0.00 0.00 0.00 178.15 176.85 2dkw n ILE 93 N -5.45 -0.31 -0.34 -0.67 2.08 0.15 0.55 119.36 115.36 2dkw n ILE 93 Ca -0.06 1.50 -0.08 0.00 0.56 0.00 0.00 62.75 64.67 2dkw n ILE 93 Cb 0.37 -2.02 -0.05 0.00 -0.75 0.00 0.00 39.64 37.19 2dkw n ILE 93 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2dkw h ARG 94 N 0.00 -0.08 -1.00 0.38 2.43 -1.27 0.67 114.38 115.51 2dkw h ARG 94 Ca 0.26 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.55 2dkw h ARG 94 Cb 0.42 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.90 2dkw h ARG 94 CO -0.65 -0.05 0.63 1.25 -1.51 0.00 0.00 179.97 179.63 2dkw h HIS 95 N -0.08 1.14 0.05 2.20 2.76 0.01 -1.99 115.15 119.24 2dkw h HIS 95 Ca 0.21 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 2dkw h HIS 95 Cb 0.51 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2dkw h HIS 95 CO -0.89 0.47 -0.02 0.00 -1.30 0.00 0.00 177.93 176.18 2dkw h ARG 96 N 1.01 -0.06 -0.76 5.26 -0.00 0.40 -2.64 114.38 117.59 2dkw h ARG 96 Ca 0.49 0.00 0.13 0.00 -0.50 0.00 0.00 59.98 60.10 2dkw h ARG 96 Cb 0.45 0.01 -0.13 0.00 0.00 0.00 0.00 29.97 30.31 2dkw h ARG 96 CO -0.26 -0.04 -0.27 0.00 0.00 0.00 0.00 179.97 179.41 2dkw n ALA 97 N -2.06 -0.02 -0.24 0.04 0.00 0.17 0.19 120.51 118.59 2dkw n ALA 97 Ca -0.01 0.78 -0.01 0.00 0.00 0.00 0.00 53.44 54.21 2dkw n ALA 97 Cb 0.02 -0.39 0.11 0.00 0.00 0.00 0.00 19.45 19.20 2dkw n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkw h THR 99 N 0.70 0.34 -0.75 0.00 2.02 0.24 -3.11 112.91 112.34 2dkw h THR 99 Ca 0.32 -0.25 0.14 0.00 0.77 0.00 0.00 66.41 67.38 2dkw h THR 99 Cb 0.22 0.42 -0.13 0.00 -1.74 0.00 0.00 68.15 66.92 2dkw h THR 99 CO -0.20 0.03 -0.24 -0.11 0.37 0.00 0.00 175.52 175.38 2dkw n LEU 100 N -5.37 -0.37 0.25 2.58 7.94 0.16 -0.00 117.00 122.19 2dkw n LEU 100 Ca -0.12 1.30 -0.17 0.00 -1.11 0.00 0.00 56.01 55.91 2dkw n LEU 100 Cb 0.34 -0.35 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 2dkw n LEU 100 CO 0.33 -1.22 0.52 0.50 -1.11 0.00 0.00 177.39 176.42 2dkw h LYS 101 N 0.00 -0.90 -0.61 1.96 3.64 -1.49 -2.28 116.57 116.90 2dkw h LYS 101 Ca 0.32 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.87 2dkw h LYS 101 Cb 0.50 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 32.41 2dkw h LYS 101 CO -0.76 -0.60 -0.24 0.22 -2.27 0.00 0.00 179.45 175.80 2dkw h ASP 102 N -0.93 -0.85 0.00 4.20 3.58 -0.36 -1.45 116.42 120.60 2dkw h ASP 102 Ca -0.05 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2dkw h ASP 102 Cb 0.83 0.48 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2dkw h ASP 102 CO -0.11 -0.26 0.00 0.41 -2.88 0.00 0.00 179.24 176.40 2dkw n THR 103 N -5.44 0.00 -0.18 2.25 -1.04 -0.33 -0.43 114.28 109.11 2dkw n THR 103 Ca 0.06 1.49 -0.09 0.00 -2.04 0.00 0.00 64.05 63.47 2dkw n THR 103 Cb 0.35 -2.19 -0.07 0.00 -1.82 0.00 0.00 70.33 66.59 2dkw n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dkw h ALA 104 N -1.40 -0.56 -0.90 2.41 0.00 -1.08 0.18 119.26 117.90 2dkw h ALA 104 Ca 0.00 0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.20 2dkw h ALA 104 Cb 0.00 1.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 2dkw h ALA 104 CO 0.00 -0.80 0.22 0.45 0.00 0.00 0.00 179.25 179.11 2dkw h HIS 105 N -0.18 0.30 -0.02 0.00 -0.00 -1.09 0.18 115.15 114.34 2dkw h HIS 105 Ca 0.08 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2dkw h HIS 105 Cb 0.39 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.81 2dkw h HIS 105 CO -0.81 -0.27 0.01 0.00 -0.00 0.00 0.00 177.93 176.85 2dkw h ALA 106 N 1.83 0.02 -0.57 2.45 0.00 0.20 -0.55 119.26 122.65 2dkw h ALA 106 Ca 0.58 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.46 2dkw h ALA 106 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2dkw h ALA 106 CO -0.71 -0.39 0.26 0.82 0.00 0.00 0.00 179.25 179.23 2dkw h ILE 107 N -0.14 0.90 0.42 0.00 2.04 0.17 -0.98 117.51 119.92 2dkw h ILE 107 Ca 0.01 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2dkw h ILE 107 Cb 0.17 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2dkw h ILE 107 CO -0.00 0.09 -0.20 0.40 0.00 0.00 0.00 178.15 178.44 2dkw h ILE 108 N 0.50 0.57 -0.71 -0.67 1.08 -0.82 0.30 117.51 117.76 2dkw h ILE 108 Ca 0.26 -0.30 0.15 0.00 -0.39 0.00 0.00 64.86 64.58 2dkw h ILE 108 Cb 0.22 0.71 -0.11 0.00 -3.07 0.00 0.00 36.82 34.57 2dkw h ILE 108 CO -0.21 0.05 0.14 0.00 -0.69 0.00 0.00 178.15 177.44 2dkw h ALA 109 N -0.25 0.87 0.44 1.87 0.00 -0.88 0.55 119.26 121.86 2dkw h ALA 109 Ca -0.06 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2dkw h ALA 109 Cb 0.52 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2dkw h ALA 109 CO 0.10 -0.35 -0.21 0.00 0.00 0.00 0.00 179.25 178.78 2dkw h ALA 110 N 1.60 -0.59 -0.48 0.00 0.00 -1.10 -3.38 119.26 115.31 2dkw h ALA 110 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dkw h ALA 110 Cb 0.66 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dkw h ALA 110 CO -0.51 -0.57 0.00 0.39 0.00 0.00 0.00 179.25 178.56 2dkw n GLU 111 N -5.17 0.00 -0.93 0.00 1.02 0.10 -4.75 120.64 110.91 2dkw n GLU 111 Ca -0.08 0.51 -0.31 0.00 -0.02 0.00 0.00 57.16 57.26 2dkw n GLU 111 Cb 0.26 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.92 -4.03 -4.40 -4.62 7.94 0.19 -4.98 117.00 105.18 2dkw n LEU 112 Ca 0.00 0.35 -0.22 0.00 -1.11 0.00 0.00 56.01 55.03 2dkw n LEU 112 Cb 0.00 -0.67 -0.10 0.00 0.53 0.00 0.00 43.42 43.18 2dkw n LEU 112 CO 0.00 -4.49 -0.47 -1.81 -1.11 0.00 0.00 177.39 169.51 2dkw s ASP 113 N -0.83 3.05 -0.02 1.96 1.01 -1.26 -4.87 116.67 115.71 2dkw s ASP 113 Ca 0.40 -0.99 -0.25 0.00 0.71 0.00 0.00 52.55 52.42 2dkw s ASP 113 Cb -0.28 -0.21 -0.20 0.00 1.01 0.00 0.00 42.92 43.24 2dkw s ASP 113 CO 0.62 -0.05 1.23 1.55 0.21 0.00 0.00 175.17 178.73 2dkw h PRO 114 N 2.59 -0.05 0.00 8.23 0.13 -1.96 -0.52 132.00 140.42 2dkw h PRO 114 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2dkw h PRO 114 Cb 1.23 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2dkw h PRO 114 CO 0.59 0.42 -0.25 1.05 -0.23 0.00 0.00 178.00 179.57 2dkw h GLU 115 N -0.54 0.00 0.01 0.86 4.11 -2.00 -2.74 114.58 114.29 2dkw h GLU 115 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 2dkw h GLU 115 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2dkw h GLU 115 CO 0.01 0.25 -1.12 0.35 0.07 0.00 0.00 179.01 178.57 2dkw h PHE 116 N 0.00 0.06 0.14 2.06 3.57 -1.97 -3.29 116.94 117.51 2dkw h PHE 116 Ca -0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2dkw h PHE 116 Cb 0.84 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2dkw h PHE 116 CO 0.00 1.04 -0.07 -0.97 -2.23 0.00 0.00 178.31 176.08 2dkw h ASN 117 N 0.01 -0.16 0.00 0.41 -1.24 -0.95 -2.94 115.58 110.70 2dkw h ASN 117 Ca -0.06 -0.38 0.00 0.00 0.71 0.00 0.00 56.30 56.57 2dkw h ASN 117 Cb 1.82 0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.91 2dkw h ASN 117 CO 0.13 0.38 0.22 0.11 -1.29 0.00 0.00 177.43 176.98 2dkw h LYS 118 N -0.80 0.00 0.00 6.67 1.57 -1.63 -2.61 116.57 119.76 2dkw h LYS 118 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2dkw h LYS 118 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2dkw h LYS 118 CO 0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 2dkw n LEU 119 N -2.21 1.01 -0.37 2.94 4.77 -1.16 -3.16 117.00 118.83 2dkw n LEU 119 Ca -0.01 0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 2dkw n LEU 119 Cb 0.24 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2dkw n LEU 119 CO 0.08 -0.29 0.49 0.00 -1.33 0.00 0.00 177.39 176.34 2dkw h GLU 121 N 0.00 0.47 -1.29 0.00 4.11 -1.68 -0.71 114.58 115.48 2dkw h GLU 121 Ca 0.24 -0.03 0.37 0.00 0.07 0.00 0.00 59.36 60.01 2dkw h GLU 121 Cb 0.47 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 2dkw h GLU 121 CO -0.89 0.31 1.00 1.49 0.07 0.00 0.00 179.01 181.00 2dkw h GLU 122 N 0.48 0.00 0.16 1.06 4.81 0.23 0.71 114.58 122.03 2dkw h GLU 122 Ca 0.37 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.29 2dkw h GLU 122 Cb 0.75 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.16 2dkw h GLU 122 CO -0.13 0.00 -1.32 0.82 -0.73 0.00 0.00 179.01 177.66 2dkw h ILE 123 N 0.00 1.28 -1.08 2.32 2.04 -1.13 -3.29 117.51 117.65 2dkw h ILE 123 Ca 0.61 -2.53 0.40 0.00 1.00 0.00 0.00 64.86 64.34 2dkw h ILE 123 Cb 2.61 2.79 -0.16 0.00 -0.74 0.00 0.00 36.82 41.32 2dkw h ILE 123 CO -0.01 0.77 0.62 0.50 0.00 0.00 0.00 178.15 180.03 2dkw h LYS 124 N 0.25 0.11 -0.71 2.37 3.64 0.35 0.61 116.57 123.19 2dkw h LYS 124 Ca -0.21 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.31 2dkw h LYS 124 Cb 1.99 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 33.68 2dkw h LYS 124 CO 0.25 0.07 0.17 0.93 -2.27 0.00 0.00 179.45 178.61 2dkw h GLU 125 N 0.11 0.27 0.00 1.90 3.07 -1.62 -3.05 114.58 115.26 2dkw h GLU 125 Ca 0.81 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.62 2dkw h GLU 125 Cb 2.17 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 30.01 2dkw h GLU 125 CO -0.64 0.18 -0.29 1.03 -1.40 0.00 0.00 179.01 177.89 2dkw h SER 126 N 0.28 0.00 0.00 1.42 0.87 -0.06 -3.48 113.55 112.59 2dkw h SER 126 Ca 0.39 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2dkw h SER 126 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2dkw h SER 126 CO -0.48 0.85 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 2dkw n GLY 127 N 1.65 -3.30 3.74 5.77 0.00 -0.27 -4.90 105.19 107.87 2dkw n GLY 127 Ca -0.09 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 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 4.40 0.37 1.61 0.04 -1.26 -4.89 135.00 135.28 2dkw s PRO 128 Ca 0.00 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.17 2dkw s PRO 128 Cb 0.00 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 2dkw s PRO 128 CO 0.00 -0.21 -0.04 -1.12 0.04 0.00 0.00 177.00 175.66 2dkw s SER 129 N 0.20 3.75 0.09 6.66 0.01 -1.26 -4.83 113.70 118.32 2dkw s SER 129 Ca 0.55 -1.28 -0.30 0.00 1.31 0.00 0.00 55.95 56.23 2dkw s SER 129 Cb -0.36 -0.36 -0.06 0.00 0.21 0.00 0.00 66.02 65.44 2dkw s SER 129 CO 0.39 -0.33 1.19 -0.44 0.41 0.00 0.00 173.24 174.46 2dkw s SER 130 N -3.65 7.10 0.00 2.44 0.01 -1.26 -5.20 113.70 113.14 2dkw s SER 130 Ca 0.34 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.65 2dkw s SER 130 Cb 0.06 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2dkw s SER 130 CO 0.17 -0.43 0.31 0.61 0.41 0.00 0.00 173.24 174.32