#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw s SER 2 N 0.00 6.60 -0.46 1.61 0.01 -1.26 -4.95 113.70 115.25 2dkw s SER 2 Ca 0.00 0.43 -0.40 0.00 1.31 0.00 0.00 55.95 57.29 2dkw s SER 2 Cb 0.00 -2.43 -0.16 0.00 0.21 0.00 0.00 66.02 63.64 2dkw s SER 2 CO 0.00 -0.81 2.18 -0.24 0.41 0.00 0.00 173.24 174.79 2dkw n SER 3 N 6.61 1.26 0.00 2.44 2.88 -1.26 -4.50 113.62 121.06 2dkw n SER 3 Ca 0.05 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2dkw n SER 3 Cb 0.48 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2dkw n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkw n GLY 4 N 7.10 1.89 3.48 0.46 0.00 -1.26 -4.92 105.19 111.94 2dkw n GLY 4 Ca 0.50 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.48 -0.15 1.61 1.04 -1.26 -5.02 113.70 105.44 2dkw s SER 5 Ca 0.00 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.58 2dkw s SER 5 Cb 0.00 0.48 0.31 0.00 0.10 0.00 0.00 66.02 66.91 2dkw s SER 5 CO 0.00 -0.73 1.21 -1.54 0.98 0.00 0.00 173.24 173.16 2dkw n SER 6 N -0.09 3.16 -0.08 7.02 3.41 -1.26 -4.00 113.62 121.78 2dkw n SER 6 Ca -0.13 -2.54 -0.15 0.00 -0.26 0.00 0.00 58.87 55.80 2dkw n SER 6 Cb 0.62 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.03 -0.24 0.29 5.00 0.00 -1.26 -4.46 105.19 104.55 2dkw n GLY 7 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.36 0.99 -0.72 1.61 2.35 -2.00 -2.83 115.58 114.62 2dkw h ASN 8 Ca -0.38 -0.31 0.09 0.00 -0.55 0.00 0.00 56.30 55.14 2dkw h ASN 8 Cb 1.43 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 39.46 2dkw h ASN 8 CO -0.17 1.09 0.37 0.74 -1.65 0.00 0.00 177.43 177.81 2dkw h THR 9 N 0.90 0.87 0.50 2.81 2.02 -1.83 -2.76 112.91 115.41 2dkw h THR 9 Ca 0.15 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2dkw h THR 9 Cb 0.64 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2dkw h THR 9 CO 0.04 0.12 -0.24 -0.07 0.37 0.00 0.00 175.52 175.74 2dkw h LEU 10 N 0.63 -0.57 -0.63 2.58 -0.00 -1.75 -3.01 115.31 112.57 2dkw h LEU 10 Ca 0.35 -0.06 0.06 0.00 -0.00 0.00 0.00 57.88 58.23 2dkw h LEU 10 Cb 0.35 0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 41.08 2dkw h LEU 10 CO -0.26 -0.26 -0.37 -1.14 -0.00 0.00 0.00 178.44 176.41 2dkw n ARG 11 N -5.30 -0.28 -0.31 1.13 0.63 -1.06 0.19 116.66 111.67 2dkw n ARG 11 Ca -0.11 1.15 0.19 0.00 -0.92 0.00 0.00 57.85 58.15 2dkw n ARG 11 Cb 0.31 -1.69 0.46 0.00 0.45 0.00 0.00 32.46 31.99 2dkw n ARG 11 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dkw h GLU 12 N 0.00 0.49 0.43 -0.14 5.08 -1.55 -1.38 114.58 117.51 2dkw h GLU 12 Ca 0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2dkw h GLU 12 Cb 0.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2dkw h GLU 12 CO -0.59 0.32 -0.21 1.25 -1.00 0.00 0.00 179.01 178.79 2dkw h LEU 13 N 0.50 -0.49 -0.74 1.33 5.85 0.22 0.44 115.31 122.43 2dkw h LEU 13 Ca 0.55 -0.09 0.16 0.00 0.84 0.00 0.00 57.88 59.35 2dkw h LEU 13 Cb 1.23 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 42.25 2dkw h LEU 13 CO -0.28 -0.07 -0.08 -0.09 -0.34 0.00 0.00 178.44 177.58 2dkw h ARG 14 N -1.03 0.05 -0.09 1.25 2.43 0.25 -0.19 114.38 117.05 2dkw h ARG 14 Ca -0.06 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 2dkw h ARG 14 Cb 0.55 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2dkw h ARG 14 CO 0.10 0.03 -0.57 -0.07 -1.51 0.00 0.00 179.97 177.96 2dkw h LEU 15 N 0.05 0.66 0.00 3.80 3.38 -1.33 -3.06 115.31 118.82 2dkw h LEU 15 Ca 0.38 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2dkw h LEU 15 Cb 0.64 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dkw h LEU 15 CO -0.70 1.21 0.00 0.33 0.09 0.00 0.00 178.44 179.38 2dkw n PHE 16 N -4.18 0.00 -0.18 1.13 7.35 0.16 -1.08 117.46 120.66 2dkw n PHE 16 Ca -0.08 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.48 2dkw n PHE 16 Cb 0.64 -0.43 -0.09 0.00 0.35 0.00 0.00 39.48 39.95 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 -1.79 -1.65 -2.13 3.38 -1.25 0.45 115.31 112.32 2dkw h LEU 17 Ca 0.00 0.24 0.43 0.00 0.09 0.00 0.00 57.88 58.64 2dkw h LEU 17 Cb 0.00 0.74 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 2dkw h LEU 17 CO 0.00 -0.35 0.96 -0.09 0.09 0.00 0.00 178.44 179.05 2dkw h ARG 18 N -0.30 0.09 -0.37 1.13 2.43 -1.44 1.16 114.38 117.08 2dkw h ARG 18 Ca 0.08 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 2dkw h ARG 18 Cb 0.52 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2dkw h ARG 18 CO -0.61 0.06 -0.35 0.22 -1.51 0.00 0.00 179.97 177.77 2dkw h ASP 19 N 0.09 0.89 0.56 -3.80 3.58 0.15 -1.70 116.42 116.18 2dkw h ASP 19 Ca 0.77 -0.39 -0.03 0.00 0.42 0.00 0.00 57.03 57.81 2dkw h ASP 19 Cb 2.66 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 43.46 2dkw h ASP 19 CO -0.23 1.15 -0.27 0.58 -2.88 0.00 0.00 179.24 177.59 2dkw h VAL 20 N 0.70 0.00 -0.88 2.25 2.07 0.19 -2.54 116.25 118.04 2dkw h VAL 20 Ca 0.07 -0.29 0.13 0.00 0.82 0.00 0.00 66.70 67.43 2dkw h VAL 20 Cb 0.91 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 2dkw h VAL 20 CO 0.08 0.00 0.49 0.74 0.02 0.00 0.00 177.57 178.90 2dkw h THR 21 N -1.03 0.80 0.35 2.57 2.02 -1.47 -2.65 112.91 113.49 2dkw h THR 21 Ca -0.08 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2dkw h THR 21 Cb 0.57 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2dkw h THR 21 CO 0.13 0.13 -0.37 0.50 0.37 0.00 0.00 175.52 176.28 2dkw h LYS 22 N 0.73 -0.69 -0.88 6.66 3.64 -1.34 -0.47 116.57 124.22 2dkw h LYS 22 Ca 0.46 0.05 0.20 0.00 -1.27 0.00 0.00 60.65 60.09 2dkw h LYS 22 Cb 0.59 0.16 -0.16 0.00 -0.41 0.00 0.00 32.23 32.40 2dkw h LYS 22 CO -0.32 -0.46 -0.12 -0.09 -2.27 0.00 0.00 179.45 176.18 2dkw h ARG 23 N -0.72 0.02 0.02 1.90 2.43 -1.12 0.34 114.38 117.25 2dkw h ARG 23 Ca -0.04 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2dkw h ARG 23 Cb 0.63 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2dkw h ARG 23 CO -0.06 0.01 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.34 2dkw h LEU 24 N 0.02 -0.02 -0.58 3.80 3.38 -1.16 -1.32 115.31 119.43 2dkw h LEU 24 Ca 0.46 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.51 2dkw h LEU 24 Cb 0.78 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 2dkw h LEU 24 CO -0.86 -0.01 -0.48 0.00 0.09 0.00 0.00 178.44 177.17 2dkw h ALA 25 N -1.97 -0.46 -0.67 1.53 0.00 -0.54 -0.63 119.26 116.53 2dkw h ALA 25 Ca -0.00 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2dkw h ALA 25 Cb 0.02 1.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 2dkw h ALA 25 CO 0.00 -0.89 -0.23 1.79 0.00 0.00 0.00 179.25 179.92 2dkw h THR 26 N -0.25 0.25 -2.56 0.00 1.35 -0.39 -3.37 112.91 107.95 2dkw h THR 26 Ca 0.15 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.46 2dkw h THR 26 Cb 0.56 0.25 0.06 0.00 -1.73 0.00 0.00 68.15 67.30 2dkw h THR 26 CO -0.69 0.00 0.90 -0.67 -0.25 0.00 0.00 175.52 174.81 2dkw n ASP 27 N -5.46 3.57 0.13 5.36 2.03 -0.24 -4.91 116.55 117.04 2dkw n ASP 27 Ca 0.07 1.08 -0.15 0.00 0.52 0.00 0.00 54.79 56.32 2dkw n ASP 27 Cb 0.36 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.17 2dkw n ASP 27 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2dkw h LYS 28 N 6.14 -0.68 -1.42 -0.67 3.64 -1.82 -0.94 116.57 120.83 2dkw h LYS 28 Ca -0.44 0.05 0.48 0.00 -1.27 0.00 0.00 60.65 59.47 2dkw h LYS 28 Cb 1.23 0.15 -0.14 0.00 -0.41 0.00 0.00 32.23 33.06 2dkw h LYS 28 CO 0.91 -0.45 0.92 0.07 -2.27 0.00 0.00 179.45 178.62 2dkw h ARG 29 N -0.70 0.01 -1.25 1.90 -0.00 -1.90 1.21 114.38 113.63 2dkw h ARG 29 Ca 0.01 -0.00 -0.65 0.00 -0.00 0.00 0.00 59.98 59.34 2dkw h ARG 29 Cb 0.71 -0.00 -0.34 0.00 -0.00 0.00 0.00 29.97 30.33 2dkw h ARG 29 CO -0.23 0.00 0.21 1.19 -0.00 0.00 0.00 179.97 181.14 2dkw n PHE 30 N -4.70 3.09 -0.00 4.08 3.72 -0.38 -4.47 117.46 118.79 2dkw n PHE 30 Ca 0.41 -2.68 0.07 0.00 -0.05 0.00 0.00 57.45 55.20 2dkw n PHE 30 Cb 1.60 -0.87 -0.11 0.00 -0.94 0.00 0.00 39.48 39.16 2dkw n PHE 30 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2dkw n ASN 31 N -0.70 1.80 0.27 4.37 2.85 0.42 -3.65 115.26 120.62 2dkw n ASN 31 Ca 0.52 -0.00 0.15 0.00 -0.11 0.00 0.00 54.58 55.13 2dkw n ASN 31 Cb 0.64 1.64 0.76 0.00 1.24 0.00 0.00 39.78 44.06 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 2dkw h ILE 32 N 0.00 0.37 0.00 -1.44 3.07 -1.78 -1.82 117.51 115.91 2dkw h ILE 32 Ca 0.00 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.89 2dkw h ILE 32 Cb 0.64 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 2dkw h ILE 32 CO 0.00 0.09 -0.89 0.49 -1.05 0.00 0.00 178.15 176.79 2dkw n PHE 33 N -3.42 0.11 0.29 0.16 3.72 -1.26 -4.04 117.46 113.01 2dkw n PHE 33 Ca -0.01 0.03 0.18 0.00 -0.05 0.00 0.00 57.45 57.60 2dkw n PHE 33 Cb 0.25 -0.26 0.85 0.00 -0.94 0.00 0.00 39.48 39.37 2dkw n PHE 33 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2dkw h SER 34 N 0.00 0.00 -3.74 4.37 0.87 -1.52 -3.28 113.55 110.26 2dkw h SER 34 Ca 0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 2dkw h SER 34 Cb 0.61 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.41 2dkw h SER 34 CO 0.00 0.03 -0.74 -1.59 -0.53 0.00 0.00 176.83 174.00 2dkw s LYS 35 N -3.91 1.14 -0.58 2.24 0.00 -1.25 -4.14 119.74 113.24 2dkw s LYS 35 Ca -0.01 -1.42 -0.27 0.00 0.00 0.00 0.00 55.97 54.27 2dkw s LYS 35 Cb 0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 37.83 37.01 2dkw s LYS 35 CO 0.52 0.15 1.85 -1.25 0.00 0.00 0.00 175.35 176.62 2dkw s PRO 36 N -3.28 2.72 -1.23 1.78 0.04 -1.26 -4.89 135.00 128.88 2dkw s PRO 36 Ca 0.16 0.71 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 2dkw s PRO 36 Cb -0.02 -4.36 -0.05 0.00 0.04 0.00 0.00 34.50 30.11 2dkw s PRO 36 CO 0.04 -2.62 2.27 1.33 0.04 0.00 0.00 177.00 178.06 2dkw n VAL 37 N 7.23 3.03 -4.12 -0.36 0.24 -1.26 -4.85 118.33 118.25 2dkw n VAL 37 Ca 0.21 -2.32 -0.10 0.00 -2.04 0.00 0.00 64.34 60.09 2dkw n VAL 37 Cb 0.51 -2.46 -0.10 0.00 -1.47 0.00 0.00 33.84 30.32 2dkw n VAL 37 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dkw s SER 38 N 3.51 0.88 0.33 -1.34 0.15 -1.26 -4.81 113.70 111.17 2dkw s SER 38 Ca 0.53 -0.89 0.24 0.00 0.70 0.00 0.00 55.95 56.53 2dkw s SER 38 Cb 0.14 0.11 0.44 0.00 -1.71 0.00 0.00 66.02 65.00 2dkw s SER 38 CO -0.02 -0.44 1.59 -0.78 1.20 0.00 0.00 173.24 174.79 2dkw h ASP 39 N 3.41 0.00 -2.79 5.45 1.82 -1.92 -3.44 116.42 118.96 2dkw h ASP 39 Ca -0.35 -0.01 -0.19 0.00 -0.39 0.00 0.00 57.03 56.09 2dkw h ASP 39 Cb 1.17 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.86 2dkw h ASP 39 CO 0.59 0.01 -0.50 -0.47 -1.61 0.00 0.00 179.24 177.26 2dkw s TYR 40 N -3.19 -0.50 -0.03 0.28 6.14 -1.26 -5.01 117.35 113.78 2dkw s TYR 40 Ca 0.07 1.08 0.31 0.00 0.64 0.00 0.00 57.07 59.16 2dkw s TYR 40 Cb 0.08 0.03 1.41 0.00 0.42 0.00 0.00 41.96 43.90 2dkw s TYR 40 CO 0.66 -0.38 1.92 1.37 0.64 0.00 0.00 175.55 179.76 2dkw h LEU 41 N 8.27 0.00 -3.78 6.97 8.10 -1.96 -2.41 115.31 130.49 2dkw h LEU 41 Ca -0.14 0.00 -0.49 0.00 0.11 0.00 0.00 57.88 57.36 2dkw h LEU 41 Cb 1.11 0.00 -0.27 0.00 -0.44 0.00 0.00 40.66 41.07 2dkw h LEU 41 CO 0.13 0.00 0.62 -0.62 -4.11 0.00 0.00 178.44 174.47 2dkw n GLU 42 N -2.68 2.19 0.00 0.17 1.02 -1.26 -3.97 120.64 116.10 2dkw n GLU 42 Ca 0.00 -2.69 0.00 0.00 -0.02 0.00 0.00 57.16 54.45 2dkw n GLU 42 Cb 0.19 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 2dkw n GLU 42 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2dkw n VAL 43 N -0.86 0.00 -3.47 2.62 0.31 -0.91 -5.04 118.33 110.98 2dkw n VAL 43 Ca 0.53 -0.21 -0.38 0.00 -0.01 0.00 0.00 64.34 64.27 2dkw n VAL 43 Cb 1.31 0.73 -0.06 0.00 -0.91 0.00 0.00 33.84 34.91 2dkw n VAL 43 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2dkw s ILE 44 N -1.01 5.00 -0.08 2.52 1.09 -1.25 -5.00 121.20 122.46 2dkw s ILE 44 Ca 0.00 0.88 -0.16 0.00 -1.10 0.00 0.00 60.65 60.28 2dkw s ILE 44 Cb 0.00 -3.73 -0.29 0.00 -1.06 0.00 0.00 42.46 37.38 2dkw s ILE 44 CO 0.00 0.57 0.64 0.11 -0.10 0.00 0.00 174.94 176.16 2dkw h LYS 45 N 4.73 0.30 -2.86 2.79 1.79 -1.96 -3.42 116.57 117.93 2dkw h LYS 45 Ca -0.51 -0.51 -0.61 0.00 -2.18 0.00 0.00 60.65 56.84 2dkw h LYS 45 Cb 1.22 0.19 -0.41 0.00 -1.58 0.00 0.00 32.23 31.65 2dkw h LYS 45 CO 0.62 1.24 -0.71 -1.21 -1.08 0.00 0.00 179.45 178.31 2dkw s GLU 46 N -2.50 1.87 -0.38 3.15 2.02 -1.26 -5.08 118.70 116.52 2dkw s GLU 46 Ca -0.18 -2.83 -0.28 0.00 0.02 0.00 0.00 54.97 51.70 2dkw s GLU 46 Cb 0.04 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 2dkw s GLU 46 CO 0.80 -1.30 1.72 -1.25 0.02 0.00 0.00 175.26 175.25 2dkw s PRO 47 N -0.80 3.30 -0.10 0.39 0.04 -1.26 -4.96 135.00 131.60 2dkw s PRO 47 Ca 0.26 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.53 2dkw s PRO 47 Cb -0.04 -4.18 0.02 0.00 0.04 0.00 0.00 34.50 30.33 2dkw s PRO 47 CO -0.16 -1.90 -0.12 1.41 0.04 0.00 0.00 177.00 176.28 2dkw s MET 48 N 5.67 1.83 0.04 4.56 1.75 -1.26 -5.06 119.30 126.82 2dkw s MET 48 Ca 0.74 -0.41 0.02 0.00 -1.25 0.00 0.00 55.69 54.78 2dkw s MET 48 Cb -0.19 -1.65 -0.02 0.00 2.84 0.00 0.00 34.83 35.80 2dkw s MET 48 CO 0.32 -0.12 -0.06 0.16 -0.65 0.00 0.00 175.02 174.67 2dkw s ASP 49 N 1.17 0.68 0.57 1.11 1.47 -1.26 -4.61 116.67 115.79 2dkw s ASP 49 Ca -0.04 -0.56 0.21 0.00 1.18 0.00 0.00 52.55 53.34 2dkw s ASP 49 Cb -0.14 0.06 1.14 0.00 -0.34 0.00 0.00 42.92 43.64 2dkw s ASP 49 CO -0.03 -0.25 1.61 -0.07 0.68 0.00 0.00 175.17 177.12 2dkw h LEU 50 N 4.47 0.00 0.12 2.11 3.38 -1.77 -0.40 115.31 123.23 2dkw h LEU 50 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2dkw h LEU 50 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2dkw h LEU 50 CO 0.42 0.00 -0.06 0.28 0.09 0.00 0.00 178.44 179.17 2dkw h SER 51 N 0.00 -0.14 0.19 -0.43 0.02 -1.87 -2.98 113.55 108.35 2dkw h SER 51 Ca 0.00 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2dkw h SER 51 Cb 0.84 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 2dkw h SER 51 CO 0.00 0.46 -0.08 0.00 -1.14 0.00 0.00 176.83 176.07 2dkw h THR 52 N -0.86 0.64 0.22 -2.27 1.03 -1.44 -2.88 112.91 107.35 2dkw h THR 52 Ca -0.02 -0.33 -0.01 0.00 -0.01 0.00 0.00 66.41 66.04 2dkw h THR 52 Cb 0.55 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2dkw h THR 52 CO 0.03 0.08 -0.10 0.58 -0.01 0.00 0.00 175.52 176.09 2dkw h VAL 53 N 0.00 0.86 -0.79 0.00 2.07 -1.46 -2.89 116.25 114.04 2dkw h VAL 53 Ca -0.00 -0.69 0.23 0.00 0.82 0.00 0.00 66.70 67.06 2dkw h VAL 53 Cb 0.20 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2dkw h VAL 53 CO 0.01 0.15 0.68 0.40 0.02 0.00 0.00 177.57 178.83 2dkw h ILE 54 N -0.65 0.38 -0.09 4.57 2.04 -1.34 0.15 117.51 122.58 2dkw h ILE 54 Ca -0.03 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 2dkw h ILE 54 Cb 0.46 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2dkw h ILE 54 CO 0.05 0.00 -0.47 0.74 0.00 0.00 0.00 178.15 178.47 2dkw h THR 55 N 0.00 1.39 -0.85 -0.27 2.02 -1.52 -3.06 112.91 110.62 2dkw h THR 55 Ca 0.38 -1.83 0.11 0.00 0.77 0.00 0.00 66.41 65.84 2dkw h THR 55 Cb 1.74 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 70.35 2dkw h THR 55 CO -0.00 0.54 0.55 0.11 0.37 0.00 0.00 175.52 177.09 2dkw h LYS 56 N 0.03 0.75 0.00 6.66 1.79 -0.52 0.73 116.57 126.02 2dkw h LYS 56 Ca -0.03 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.30 2dkw h LYS 56 Cb 1.12 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 2dkw h LYS 56 CO 0.10 0.50 -0.45 0.82 -1.08 0.00 0.00 179.45 179.33 2dkw h ILE 57 N 0.77 1.25 -0.01 1.86 2.04 -1.50 -1.57 117.51 120.36 2dkw h ILE 57 Ca 0.40 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2dkw h ILE 57 Cb 0.49 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2dkw h ILE 57 CO -0.17 0.44 -0.18 0.47 0.00 0.00 0.00 178.15 178.72 2dkw n ASP 58 N -3.90 0.88 -0.79 1.72 8.00 0.10 -3.60 116.55 118.96 2dkw n ASP 58 Ca -0.01 -0.86 0.08 0.00 0.71 0.00 0.00 54.79 54.71 2dkw n ASP 58 Cb 0.49 0.05 0.24 0.00 -0.02 0.00 0.00 41.12 41.87 2dkw n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dkw n LYS 59 N -0.66 2.81 -3.84 -1.24 4.76 -0.31 -4.98 118.16 114.70 2dkw n LYS 59 Ca 0.14 -2.71 -0.26 0.00 -2.87 0.00 0.00 58.31 52.61 2dkw n LYS 59 Cb 0.32 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 2dkw n LYS 59 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2dkw n HIS 60 N -0.45 -1.76 -0.09 2.13 8.25 -1.16 -4.89 115.22 117.26 2dkw n HIS 60 Ca 0.19 0.71 -0.10 0.00 -0.26 0.00 0.00 57.72 58.26 2dkw n HIS 60 Cb 0.81 -3.83 -0.11 0.00 1.12 0.00 0.00 29.99 27.98 2dkw n HIS 60 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2dkw n ASN 61 N -2.94 1.59 -4.42 0.41 2.85 -0.64 -4.85 115.26 107.26 2dkw n ASN 61 Ca -0.27 -0.04 -0.44 0.00 -0.11 0.00 0.00 54.58 53.72 2dkw n ASN 61 Cb 0.67 0.43 -0.05 0.00 1.24 0.00 0.00 39.78 42.07 2dkw n ASN 61 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2dkw s TYR 62 N -2.39 2.91 -0.59 1.20 2.02 -1.25 -4.84 117.35 114.40 2dkw s TYR 62 Ca -0.15 -0.71 0.22 0.00 -0.37 0.00 0.00 57.07 56.06 2dkw s TYR 62 Cb 0.06 -3.99 -0.10 0.00 -0.40 0.00 0.00 41.96 37.52 2dkw s TYR 62 CO 0.58 -1.34 0.88 1.47 -1.57 0.00 0.00 175.55 175.58 2dkw n LEU 63 N 6.73 0.59 -4.54 -1.29 -0.00 -1.26 -4.72 117.00 112.50 2dkw n LEU 63 Ca -0.07 -0.14 -0.27 0.00 -0.00 0.00 0.00 56.01 55.53 2dkw n LEU 63 Cb 0.44 -0.05 -0.08 0.00 -0.00 0.00 0.00 43.42 43.73 2dkw n LEU 63 CO 0.59 0.09 -0.18 0.42 -0.00 0.00 0.00 177.39 178.32 2dkw s THR 64 N -3.21 0.50 -0.11 1.47 -4.23 -1.26 -4.56 115.64 104.24 2dkw s THR 64 Ca 0.02 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 2dkw s THR 64 Cb 0.15 -2.25 -0.26 0.00 1.34 0.00 0.00 72.50 71.48 2dkw s THR 64 CO 0.84 0.00 0.42 0.00 -0.54 0.00 0.00 174.62 175.34 2dkw n ALA 65 N -0.98 0.95 -0.25 3.99 0.00 -1.26 -4.04 120.51 118.92 2dkw n ALA 65 Ca -0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 53.44 52.72 2dkw n ALA 65 Cb 0.65 -0.72 0.05 0.00 0.00 0.00 0.00 19.45 19.43 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 0.06 0.94 0.00 0.00 1.63 -1.97 -1.05 116.57 116.18 2dkw h LYS 66 Ca -0.40 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2dkw h LYS 66 Cb 2.04 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 33.47 2dkw h LYS 66 CO 0.09 0.68 -0.00 0.22 -3.45 0.00 0.00 179.45 176.99 2dkw h ASP 67 N 0.93 0.00 0.05 4.20 1.82 -2.00 -0.99 116.42 120.44 2dkw h ASP 67 Ca 0.24 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.65 2dkw h ASP 67 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2dkw h ASP 67 CO -0.04 0.00 -1.26 0.15 -1.61 0.00 0.00 179.24 176.48 2dkw h PHE 68 N 0.00 0.20 -0.24 0.28 3.57 -1.38 -3.34 116.94 116.03 2dkw h PHE 68 Ca -0.00 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 2dkw h PHE 68 Cb 0.08 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2dkw h PHE 68 CO 0.00 1.49 0.13 -0.07 -2.23 0.00 0.00 178.31 177.64 2dkw h LEU 69 N -0.66 0.29 -1.82 0.59 3.38 -0.88 -2.19 115.31 114.02 2dkw h LEU 69 Ca -0.31 -0.07 0.26 0.00 0.09 0.00 0.00 57.88 57.85 2dkw h LEU 69 Cb 1.50 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 2dkw h LEU 69 CO -0.07 0.28 0.67 0.07 0.09 0.00 0.00 178.44 179.48 2dkw h LYS 70 N 0.28 0.13 -0.02 1.13 2.10 -1.38 0.58 116.57 119.40 2dkw h LYS 70 Ca 0.08 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.58 2dkw h LYS 70 Cb 0.05 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 2dkw h LYS 70 CO -0.01 0.08 -0.67 0.22 -2.00 0.00 0.00 179.45 177.07 2dkw h ASP 71 N 0.13 0.09 0.35 7.07 1.82 -1.52 -3.04 116.42 121.32 2dkw h ASP 71 Ca 0.48 -0.05 -0.21 0.00 -0.39 0.00 0.00 57.03 56.86 2dkw h ASP 71 Cb 1.66 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.64 2dkw h ASP 71 CO -0.08 0.72 -0.85 0.40 -1.61 0.00 0.00 179.24 177.82 2dkw h ILE 72 N 0.05 1.41 0.00 2.25 1.08 0.29 -3.02 117.51 119.57 2dkw h ILE 72 Ca -0.01 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 62.09 2dkw h ILE 72 Cb 1.18 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 2dkw h ILE 72 CO 0.09 0.70 0.00 -0.67 -0.69 0.00 0.00 178.15 177.59 2dkw n ASP 73 N -3.76 0.63 0.07 1.72 -0.08 -0.58 -2.62 116.55 111.93 2dkw n ASP 73 Ca -0.05 0.63 -0.11 0.00 -1.51 0.00 0.00 54.79 53.75 2dkw n ASP 73 Cb 0.78 -0.78 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 2dkw n ASP 73 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2dkw h LEU 74 N 0.00 0.19 -0.84 -2.67 5.85 -1.41 -3.12 115.31 113.31 2dkw h LEU 74 Ca 0.00 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 2dkw h LEU 74 Cb 0.43 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2dkw h LEU 74 CO 0.00 1.18 -0.54 0.40 -0.34 0.00 0.00 178.44 179.13 2dkw h ILE 75 N 0.03 1.38 -0.17 4.05 2.04 -1.53 -2.41 117.51 120.91 2dkw h ILE 75 Ca -0.10 -1.86 -0.18 0.00 1.00 0.00 0.00 64.86 63.72 2dkw h ILE 75 Cb 1.89 1.97 0.01 0.00 -0.74 0.00 0.00 36.82 39.94 2dkw h ILE 75 CO 0.15 0.54 -0.61 0.00 0.00 0.00 0.00 178.15 178.23 2dkw h SER 77 N 0.41 -0.53 -0.28 0.00 0.87 -1.49 -3.24 113.55 109.27 2dkw h SER 77 Ca -0.03 -0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.52 2dkw h SER 77 Cb 1.24 0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 63.26 2dkw h SER 77 CO 0.13 -0.21 -0.29 0.78 -0.53 0.00 0.00 176.83 176.72 2dkw h ASN 78 N -0.88 -0.93 -1.85 6.23 2.35 -1.54 0.13 115.58 119.09 2dkw h ASN 78 Ca -0.06 0.16 0.54 0.00 -0.55 0.00 0.00 56.30 56.38 2dkw h ASN 78 Cb 0.58 0.43 -0.07 0.00 0.05 0.00 0.00 38.32 39.31 2dkw h ASN 78 CO 0.11 -0.31 1.40 0.00 -1.65 0.00 0.00 177.43 176.98 2dkw h ALA 79 N 0.72 3.76 0.10 -0.83 0.00 -1.52 1.12 119.26 122.61 2dkw h ALA 79 Ca 0.14 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.63 2dkw h ALA 79 Cb 0.51 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2dkw h ALA 79 CO -0.44 -2.35 -1.99 1.28 0.00 0.00 0.00 179.25 175.74 2dkw n LEU 80 N -3.83 2.43 -0.18 0.00 4.77 0.35 -4.32 117.00 116.21 2dkw n LEU 80 Ca 0.42 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.50 2dkw n LEU 80 Cb 1.96 -0.94 -0.09 0.00 -2.33 0.00 0.00 43.42 42.01 2dkw n LEU 80 CO 0.42 0.80 0.49 -0.33 -1.33 0.00 0.00 177.39 177.44 2dkw h GLU 81 N 0.06 -0.25 -4.18 3.23 4.39 0.23 -3.31 114.58 114.75 2dkw h GLU 81 Ca -0.42 0.02 -0.68 0.00 0.34 0.00 0.00 59.36 58.62 2dkw h GLU 81 Cb 2.03 0.06 -0.37 0.00 -0.10 0.00 0.00 28.75 30.37 2dkw h GLU 81 CO 0.08 -0.17 -0.55 0.71 -1.16 0.00 0.00 179.01 177.92 2dkw s TYR 82 N -5.26 3.53 -0.12 4.33 1.51 -1.07 -5.06 117.35 115.21 2dkw s TYR 82 Ca -0.12 -2.69 -0.11 0.00 -1.01 0.00 0.00 57.07 53.14 2dkw s TYR 82 Cb 0.08 -3.12 0.03 0.00 -0.11 0.00 0.00 41.96 38.85 2dkw s TYR 82 CO 0.53 -0.91 0.32 1.21 -1.11 0.00 0.00 175.55 175.60 2dkw s ASN 83 N 1.13 -0.34 0.36 2.29 3.84 -1.25 -4.76 114.94 116.21 2dkw s ASN 83 Ca 0.12 0.65 -0.27 0.00 0.21 0.00 0.00 52.86 53.57 2dkw s ASN 83 Cb -0.22 0.66 -0.09 0.00 -0.55 0.00 0.00 41.25 41.05 2dkw s ASN 83 CO -0.04 -0.11 1.21 -2.16 -2.79 0.00 0.00 177.10 173.20 2dkw s PRO 84 N 0.20 4.25 0.32 0.43 0.04 -1.26 -5.05 135.00 133.92 2dkw s PRO 84 Ca -0.00 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.10 2dkw s PRO 84 Cb -0.02 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.56 2dkw s PRO 84 CO 0.00 -0.19 -0.10 0.16 0.04 0.00 0.00 177.00 176.91 2dkw s ASP 85 N -0.86 3.45 -0.94 6.66 1.47 -1.26 -4.74 116.67 120.45 2dkw s ASP 85 Ca 0.52 -1.17 -0.00 0.00 1.18 0.00 0.00 52.55 53.08 2dkw s ASP 85 Cb -0.34 -0.29 0.00 0.00 -0.34 0.00 0.00 42.92 41.94 2dkw s ASP 85 CO 0.44 -0.21 0.01 1.17 0.68 0.00 0.00 175.17 177.26 2dkw n LYS 86 N -0.71 -0.96 -4.09 2.11 3.00 -1.26 -5.02 118.16 111.23 2dkw n LYS 86 Ca -0.05 0.53 -0.14 0.00 -0.00 0.00 0.00 58.31 58.65 2dkw n LYS 86 Cb 0.63 -4.65 -0.13 0.00 0.00 0.00 0.00 35.03 30.89 2dkw n LYS 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dkw s ASP 87 N -2.51 0.67 -0.35 3.14 1.01 -1.26 -5.11 116.67 112.25 2dkw s ASP 87 Ca 0.01 -0.32 -0.28 0.00 0.71 0.00 0.00 52.55 52.67 2dkw s ASP 87 Cb -0.00 -0.01 -0.01 0.00 1.01 0.00 0.00 42.92 43.91 2dkw s ASP 87 CO 0.01 -0.08 1.70 -2.16 0.21 0.00 0.00 175.17 174.85 2dkw s PRO 88 N -0.84 3.40 0.00 8.23 0.04 -1.26 -2.89 135.00 141.68 2dkw s PRO 88 Ca -0.04 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2dkw s PRO 88 Cb -0.06 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2dkw s PRO 88 CO 0.00 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2dkw n GLY 89 N 5.33 1.02 0.13 0.56 0.00 -1.26 -5.00 105.19 105.97 2dkw n GLY 89 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 2dkw n GLY 89 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dkw h ASP 90 N 0.00 0.43 -0.99 1.61 3.58 -1.85 -3.30 116.42 115.91 2dkw h ASP 90 Ca 0.00 -0.88 0.29 0.00 0.42 0.00 0.00 57.03 56.86 2dkw h ASP 90 Cb 0.00 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2dkw h ASP 90 CO 0.00 1.60 0.76 0.07 -2.88 0.00 0.00 179.24 178.78 2dkw h LYS 91 N -0.27 0.00 0.13 0.28 2.10 -1.94 -2.20 116.57 114.67 2dkw h LYS 91 Ca -0.28 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 2dkw h LYS 91 Cb 1.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 2dkw h LYS 91 CO 0.09 0.00 -0.06 0.82 -2.00 0.00 0.00 179.45 178.30 2dkw h ILE 92 N 0.00 0.00 -0.90 0.07 1.08 -1.96 -3.30 117.51 112.50 2dkw h ILE 92 Ca 0.47 -0.43 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 2dkw h ILE 92 Cb 1.98 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.61 2dkw h ILE 92 CO -0.00 0.00 -0.45 -0.38 -0.69 0.00 0.00 178.15 176.62 2dkw n ILE 93 N -3.66 -0.55 -0.34 -0.67 5.41 -0.87 0.64 119.36 119.32 2dkw n ILE 93 Ca -0.02 2.14 0.12 0.00 1.00 0.00 0.00 62.75 65.99 2dkw n ILE 93 Cb 0.07 -2.72 0.25 0.00 -0.71 0.00 0.00 39.64 36.53 2dkw n ILE 93 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2dkw h ARG 94 N 0.00 0.01 -0.30 0.38 -0.00 -1.60 0.69 114.38 113.58 2dkw h ARG 94 Ca 0.21 -0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.51 2dkw h ARG 94 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.40 2dkw h ARG 94 CO -0.86 0.01 -0.53 1.25 0.00 0.00 0.00 179.97 179.84 2dkw h HIS 95 N 0.02 1.10 -0.09 3.04 2.76 0.13 -3.25 115.15 118.86 2dkw h HIS 95 Ca 0.56 -0.39 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2dkw h HIS 95 Cb 1.09 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 2dkw h HIS 95 CO -0.55 1.22 -0.05 0.00 -1.30 0.00 0.00 177.93 177.25 2dkw h ARG 96 N 0.67 -0.05 -0.89 5.26 2.47 0.22 -2.50 114.38 119.55 2dkw h ARG 96 Ca 0.02 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.90 2dkw h ARG 96 Cb 1.14 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 29.31 2dkw h ARG 96 CO 0.12 -0.03 -0.32 0.00 0.56 0.00 0.00 179.97 180.30 2dkw h ALA 97 N 1.02 0.30 -0.58 0.04 0.00 -0.71 0.37 119.26 119.71 2dkw h ALA 97 Ca 0.05 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dkw h ALA 97 Cb 0.13 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2dkw h ALA 97 CO -0.12 -0.54 0.35 0.00 0.00 0.00 0.00 179.25 178.94 2dkw h THR 99 N 0.78 0.79 0.60 0.00 2.02 0.11 -2.30 112.91 114.91 2dkw h THR 99 Ca 0.21 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2dkw h THR 99 Cb -0.02 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2dkw h THR 99 CO -0.04 0.11 -0.49 0.25 0.37 0.00 0.00 175.52 175.72 2dkw h LEU 100 N 0.61 -1.30 -0.65 2.58 5.85 -0.80 -0.58 115.31 121.01 2dkw h LEU 100 Ca 0.40 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.33 2dkw h LEU 100 Cb 0.50 0.41 -0.12 0.00 0.37 0.00 0.00 40.66 41.82 2dkw h LEU 100 CO -0.32 -0.69 -0.30 0.50 -0.34 0.00 0.00 178.44 177.30 2dkw h LYS 101 N -1.06 -0.11 0.02 1.25 3.64 -1.36 0.11 116.57 119.06 2dkw h LYS 101 Ca -0.08 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2dkw h LYS 101 Cb 0.89 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 2dkw h LYS 101 CO 0.00 -0.07 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.42 2dkw h ASP 102 N -0.11 -0.74 0.18 4.20 3.32 -1.22 0.15 116.42 122.20 2dkw h ASP 102 Ca 0.27 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 2dkw h ASP 102 Cb 0.55 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2dkw h ASP 102 CO -0.72 -0.32 -0.20 0.74 -1.72 0.00 0.00 179.24 177.02 2dkw h THR 103 N -0.40 0.00 -0.64 0.35 2.02 0.31 0.57 112.91 115.12 2dkw h THR 103 Ca 0.06 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.36 2dkw h THR 103 Cb 0.48 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.76 2dkw h THR 103 CO -0.21 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.50 2dkw h ALA 104 N -1.39 0.36 -0.19 6.16 0.00 -0.81 0.45 119.26 123.85 2dkw h ALA 104 Ca -0.02 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2dkw h ALA 104 Cb 0.34 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2dkw h ALA 104 CO -0.03 -0.46 -0.00 0.45 0.00 0.00 0.00 179.25 179.21 2dkw h HIS 105 N -0.03 0.27 -0.42 0.00 -0.00 -0.50 -2.01 115.15 112.46 2dkw h HIS 105 Ca 0.30 -0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.51 2dkw h HIS 105 Cb 0.49 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2dkw h HIS 105 CO -0.54 0.29 -0.30 0.00 -0.00 0.00 0.00 177.93 177.38 2dkw h ALA 106 N 1.74 0.61 -0.23 2.45 0.00 0.46 -0.02 119.26 124.26 2dkw h ALA 106 Ca 0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2dkw h ALA 106 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2dkw h ALA 106 CO 0.00 0.66 -0.31 0.82 0.00 0.00 0.00 179.25 180.42 2dkw h ILE 107 N 0.79 1.28 0.14 0.00 2.04 -0.46 -0.73 117.51 120.56 2dkw h ILE 107 Ca 0.08 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 2dkw h ILE 107 Cb 0.89 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2dkw h ILE 107 CO 0.08 0.43 -0.07 0.40 0.00 0.00 0.00 178.15 179.00 2dkw h ILE 108 N 0.41 0.59 -0.01 -0.67 1.08 -1.28 -0.39 117.51 117.24 2dkw h ILE 108 Ca 0.05 -1.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 2dkw h ILE 108 Cb 0.75 1.04 -0.00 0.00 -3.07 0.00 0.00 36.82 35.54 2dkw h ILE 108 CO 0.06 0.17 0.01 0.00 -0.69 0.00 0.00 178.15 177.70 2dkw h ALA 109 N -0.61 1.50 0.00 1.87 0.00 -1.06 0.43 119.26 121.38 2dkw h ALA 109 Ca -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2dkw h ALA 109 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2dkw h ALA 109 CO 0.03 -0.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.90 2dkw h ALA 110 N 1.99 0.06 0.08 0.00 0.00 -1.18 -3.42 119.26 116.78 2dkw h ALA 110 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2dkw h ALA 110 Cb 0.02 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dkw h ALA 110 CO -0.00 0.24 -0.04 0.93 0.00 0.00 0.00 179.25 180.38 2dkw h GLU 111 N -1.00 -0.10 -5.50 0.00 5.08 -0.85 -3.43 114.58 108.78 2dkw h GLU 111 Ca -0.08 0.01 -0.59 0.00 -1.00 0.00 0.00 59.36 57.69 2dkw h GLU 111 Cb 0.74 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 2dkw h GLU 111 CO -0.05 -0.06 1.57 -0.11 -1.00 0.00 0.00 179.01 179.36 2dkw n LEU 112 N -3.00 0.96 -4.75 1.33 7.94 0.15 -4.87 117.00 114.76 2dkw n LEU 112 Ca -0.01 0.27 -0.33 0.00 -1.11 0.00 0.00 56.01 54.82 2dkw n LEU 112 Cb 0.04 -1.05 0.07 0.00 0.53 0.00 0.00 43.42 43.01 2dkw n LEU 112 CO 0.03 -0.84 0.75 -1.81 -1.11 0.00 0.00 177.39 174.41 2dkw s ASP 113 N 8.32 4.68 0.18 1.96 1.01 -1.26 -4.68 116.67 126.88 2dkw s ASP 113 Ca 1.23 2.08 0.21 0.00 0.71 0.00 0.00 52.55 56.78 2dkw s ASP 113 Cb -1.13 -2.56 0.87 0.00 1.01 0.00 0.00 42.92 41.12 2dkw s ASP 113 CO 0.51 -1.92 1.64 -0.81 0.21 0.00 0.00 175.17 174.79 2dkw n PRO 114 N -2.72 0.14 -0.09 8.23 -0.04 -1.26 -1.86 135.00 137.40 2dkw n PRO 114 Ca 0.11 0.38 -0.12 0.00 -0.04 0.00 0.00 63.50 63.83 2dkw n PRO 114 Cb 0.52 -1.77 -0.15 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.03 0.68 0.07 0.54 0.28 -1.26 -4.01 120.64 114.91 2dkw n GLU 115 Ca 0.02 0.07 -0.13 0.00 -0.16 0.00 0.00 57.16 56.96 2dkw n GLU 115 Cb 0.21 -1.56 -0.04 0.00 1.43 0.00 0.00 31.44 31.48 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 0.00 0.60 -0.45 -1.84 3.04 -1.89 -3.20 116.94 113.20 2dkw h PHE 116 Ca -0.52 -0.32 -0.04 0.00 3.98 0.00 0.00 57.97 61.07 2dkw h PHE 116 Cb 2.14 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 40.56 2dkw h PHE 116 CO 0.01 1.14 0.11 -0.97 -2.02 0.00 0.00 178.31 176.58 2dkw h ASN 117 N 0.23 0.68 0.22 0.41 -1.24 -1.57 -2.10 115.58 112.20 2dkw h ASN 117 Ca -0.07 -0.23 -0.00 0.00 0.71 0.00 0.00 56.30 56.70 2dkw h ASN 117 Cb 1.55 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 40.42 2dkw h ASN 117 CO 0.16 0.73 -0.01 0.11 -1.29 0.00 0.00 177.43 177.13 2dkw h LYS 118 N 0.59 0.00 0.00 6.67 1.57 -1.69 -2.95 116.57 120.76 2dkw h LYS 118 Ca 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2dkw h LYS 118 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2dkw h LYS 118 CO 0.00 0.01 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.75 2dkw h LEU 119 N 0.00 0.00 -1.73 2.94 3.38 -1.40 -2.37 115.31 116.14 2dkw h LEU 119 Ca -0.00 -0.03 0.45 0.00 0.09 0.00 0.00 57.88 58.40 2dkw h LEU 119 Cb 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 2dkw h LEU 119 CO 0.00 0.55 1.04 0.00 0.09 0.00 0.00 178.44 180.12 2dkw h GLU 121 N 0.06 0.39 -0.01 0.00 4.11 -1.63 -3.26 114.58 114.23 2dkw h GLU 121 Ca 0.80 -0.67 0.00 0.00 0.07 0.00 0.00 59.36 59.56 2dkw h GLU 121 Cb 2.86 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 32.36 2dkw h GLU 121 CO -0.19 1.32 0.14 1.49 0.07 0.00 0.00 179.01 181.84 2dkw h GLU 122 N -0.03 0.00 0.03 1.06 4.57 0.75 0.35 114.58 121.31 2dkw h GLU 122 Ca -0.29 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.62 2dkw h GLU 122 Cb 1.99 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.55 2dkw h GLU 122 CO 0.17 0.00 -1.46 0.82 -1.18 0.00 0.00 179.01 177.37 2dkw h ILE 123 N 0.00 1.18 0.00 2.32 2.04 -1.35 -3.30 117.51 118.40 2dkw h ILE 123 Ca 0.01 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 62.93 2dkw h ILE 123 Cb 0.28 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2dkw h ILE 123 CO -0.00 0.73 0.28 0.07 0.00 0.00 0.00 178.15 179.24 2dkw h LYS 124 N 0.02 0.00 -0.07 2.37 2.10 -0.96 0.73 116.57 120.75 2dkw h LYS 124 Ca -0.19 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.30 2dkw h LYS 124 Cb 1.94 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.28 2dkw h LYS 124 CO 0.11 0.00 -0.57 0.93 -2.00 0.00 0.00 179.45 177.93 2dkw h GLU 125 N 0.00 0.52 0.00 0.07 5.08 -1.64 -3.39 114.58 115.22 2dkw h GLU 125 Ca 0.00 -0.46 -0.28 0.00 -1.00 0.00 0.00 59.36 57.63 2dkw h GLU 125 Cb 0.57 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2dkw h GLU 125 CO 0.00 1.09 -1.71 0.45 -1.00 0.00 0.00 179.01 177.84 2dkw n SER 126 N -4.19 1.91 -3.37 1.42 2.88 0.16 -4.99 113.62 107.43 2dkw n SER 126 Ca -0.09 0.40 -0.35 0.00 -1.33 0.00 0.00 58.87 57.50 2dkw n SER 126 Cb 0.64 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 63.23 2dkw n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkw n GLY 127 N 1.38 -1.67 0.19 0.46 0.00 0.23 -4.83 105.19 100.95 2dkw n GLY 127 Ca -0.37 0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.85 2dkw n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkw h PRO 128 N 0.56 0.00 -4.74 1.61 0.13 -1.91 -3.46 132.00 124.19 2dkw h PRO 128 Ca -0.25 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.32 2dkw h PRO 128 Cb 1.12 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.32 2dkw h PRO 128 CO 0.41 0.36 -0.26 -1.13 -0.23 0.00 0.00 178.00 177.15 2dkw n SER 129 N -3.73 -0.65 -4.21 1.44 3.41 -1.26 -4.95 113.62 103.66 2dkw n SER 129 Ca -0.01 0.90 -0.16 0.00 -0.26 0.00 0.00 58.87 59.34 2dkw n SER 129 Cb 0.45 -0.74 0.04 0.00 -0.26 0.00 0.00 64.21 63.70 2dkw n SER 129 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dkw n SER 130 N 1.44 1.74 0.00 4.04 3.41 -1.26 -5.06 113.62 117.94 2dkw n SER 130 Ca 0.15 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 2dkw n SER 130 Cb 0.15 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2dkw n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49