#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 5.29 0.11 1.61 0.01 -1.26 -5.07 113.70 114.39 2dkw s SER 2 Ca 0.00 1.76 -0.02 0.00 1.31 0.00 0.00 55.95 58.99 2dkw s SER 2 Cb 0.00 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2dkw s SER 2 CO 0.00 -1.50 0.07 -0.94 0.41 0.00 0.00 173.24 171.28 2dkw s SER 3 N -3.30 0.30 0.00 2.44 1.04 -1.26 -5.09 113.70 107.84 2dkw s SER 3 Ca 0.61 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2dkw s SER 3 Cb -0.16 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2dkw s SER 3 CO 0.49 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2dkw n GLY 4 N -0.06 2.82 3.69 7.32 0.00 -1.26 -5.01 105.19 112.68 2dkw n GLY 4 Ca -0.08 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 6.58 -1.25 1.61 1.04 -1.26 -2.85 113.70 117.57 2dkw s SER 5 Ca 0.00 2.51 -0.16 0.00 0.48 0.00 0.00 55.95 58.79 2dkw s SER 5 Cb 0.00 -2.56 0.16 0.00 0.10 0.00 0.00 66.02 63.72 2dkw s SER 5 CO 0.00 -0.90 0.40 -1.54 0.98 0.00 0.00 173.24 172.18 2dkw n SER 6 N 5.61 -1.33 -0.12 7.02 3.41 -1.26 -4.73 113.62 122.23 2dkw n SER 6 Ca 0.16 -0.76 -0.15 0.00 -0.26 0.00 0.00 58.87 57.86 2dkw n SER 6 Cb 0.40 -1.18 -0.14 0.00 -0.26 0.00 0.00 64.21 63.03 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 -0.85 -0.61 0.15 5.00 0.00 -1.13 -4.43 105.19 103.31 2dkw n GLY 7 Ca 0.08 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 0.61 -0.86 1.61 4.21 -1.85 -3.16 115.58 116.14 2dkw h ASN 8 Ca -0.57 -0.75 0.22 0.00 1.21 0.00 0.00 56.30 56.41 2dkw h ASN 8 Cb 2.04 -0.19 -0.15 0.00 -1.12 0.00 0.00 38.32 38.91 2dkw h ASN 8 CO -0.04 1.28 0.14 0.74 -1.29 0.00 0.00 177.43 178.26 2dkw h THR 9 N -0.00 0.27 -0.16 2.81 2.02 -1.93 0.90 112.91 116.82 2dkw h THR 9 Ca -0.08 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2dkw h THR 9 Cb 1.38 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2dkw h THR 9 CO 0.13 0.03 -0.02 -0.07 0.37 0.00 0.00 175.52 175.96 2dkw h LEU 10 N 0.14 0.29 -0.01 2.58 -0.00 -1.77 -2.79 115.31 113.76 2dkw h LEU 10 Ca 0.52 -0.34 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2dkw h LEU 10 Cb 1.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 2dkw h LEU 10 CO -0.70 0.56 -0.12 -0.09 -0.00 0.00 0.00 178.44 178.10 2dkw h ARG 11 N 0.02 -0.13 -0.92 1.13 1.12 -0.83 0.59 114.38 115.36 2dkw h ARG 11 Ca 0.04 0.01 0.26 0.00 -1.11 0.00 0.00 59.98 59.18 2dkw h ARG 11 Cb 0.42 0.03 -0.14 0.00 -0.01 0.00 0.00 29.97 30.27 2dkw h ARG 11 CO 0.01 -0.09 0.36 0.93 -3.11 0.00 0.00 179.97 178.07 2dkw h GLU 12 N -0.14 0.26 0.08 0.20 4.39 -1.39 0.69 114.58 118.68 2dkw h GLU 12 Ca 0.00 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2dkw h GLU 12 Cb 0.15 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2dkw h GLU 12 CO -0.08 0.17 -0.11 1.25 -1.16 0.00 0.00 179.01 179.08 2dkw h LEU 13 N 0.27 -0.30 -0.72 1.33 5.85 -1.03 -2.29 115.31 118.42 2dkw h LEU 13 Ca 0.61 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.50 2dkw h LEU 13 Cb 1.29 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.30 2dkw h LEU 13 CO -0.63 -0.17 -0.31 0.03 -0.34 0.00 0.00 178.44 177.03 2dkw h ARG 14 N -0.23 -0.09 -0.56 1.25 3.08 0.14 0.18 114.38 118.16 2dkw h ARG 14 Ca 0.01 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2dkw h ARG 14 Cb 0.24 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 2dkw h ARG 14 CO -0.05 -0.06 0.31 -0.07 -1.07 0.00 0.00 179.97 179.03 2dkw h LEU 15 N -0.09 0.46 0.00 3.04 3.38 -1.30 -0.58 115.31 120.23 2dkw h LEU 15 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2dkw h LEU 15 Cb 0.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2dkw h LEU 15 CO -0.77 0.31 0.00 0.33 0.09 0.00 0.00 178.44 178.40 2dkw n PHE 16 N -4.83 0.00 -0.23 1.13 7.35 0.51 0.62 117.46 122.02 2dkw n PHE 16 Ca 0.05 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.68 2dkw n PHE 16 Cb 0.13 -0.31 -0.01 0.00 0.35 0.00 0.00 39.48 39.64 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 -1.36 -1.15 -2.13 3.38 -1.24 0.39 115.31 113.21 2dkw h LEU 17 Ca 0.00 0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.33 2dkw h LEU 17 Cb 0.00 0.65 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 2dkw h LEU 17 CO 0.00 -0.32 0.60 -0.09 0.09 0.00 0.00 178.44 178.72 2dkw h ARG 18 N -0.17 0.85 -0.60 1.13 2.43 -1.09 -0.41 114.38 116.53 2dkw h ARG 18 Ca 0.22 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2dkw h ARG 18 Cb 0.56 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2dkw h ARG 18 CO -0.72 0.56 0.09 -0.44 -1.51 0.00 0.00 179.97 177.95 2dkw h ASP 19 N 0.88 0.95 0.68 -3.80 5.19 0.42 -0.27 116.42 120.48 2dkw h ASP 19 Ca 0.45 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.57 2dkw h ASP 19 Cb 0.52 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.78 2dkw h ASP 19 CO -0.22 0.98 -0.33 0.58 -3.12 0.00 0.00 179.24 177.13 2dkw h VAL 20 N 0.89 0.01 -0.62 -1.35 2.07 0.44 -2.70 116.25 115.00 2dkw h VAL 20 Ca 0.18 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2dkw h VAL 20 Cb 0.44 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 2dkw h VAL 20 CO 0.01 0.00 0.26 0.74 0.02 0.00 0.00 177.57 178.61 2dkw h THR 21 N -1.24 0.81 -0.94 2.57 2.02 -1.18 -1.23 112.91 113.72 2dkw h THR 21 Ca -0.09 -0.16 0.15 0.00 0.77 0.00 0.00 66.41 67.07 2dkw h THR 21 Cb 0.71 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 67.32 2dkw h THR 21 CO 0.15 0.09 0.55 0.50 0.37 0.00 0.00 175.52 177.18 2dkw h LYS 22 N 0.47 0.77 0.00 6.66 3.64 -1.08 0.30 116.57 127.34 2dkw h LYS 22 Ca 0.31 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2dkw h LYS 22 Cb 0.35 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2dkw h LYS 22 CO -0.28 0.51 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.27 2dkw h ARG 23 N 0.80 0.00 0.00 1.90 1.12 -0.87 -0.87 114.38 116.45 2dkw h ARG 23 Ca 0.51 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.34 2dkw h ARG 23 Cb 0.66 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 2dkw h ARG 23 CO -0.33 0.06 -0.38 -0.07 -3.11 0.00 0.00 179.97 176.13 2dkw h LEU 24 N 0.00 0.00 -2.26 3.80 3.38 -0.38 -3.34 115.31 116.51 2dkw h LEU 24 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2dkw h LEU 24 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2dkw h LEU 24 CO 0.01 0.83 0.22 0.00 0.09 0.00 0.00 178.44 179.59 2dkw h ALA 25 N -0.76 1.22 -0.97 1.53 0.00 -0.85 -0.58 119.26 118.86 2dkw h ALA 25 Ca -0.06 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.21 2dkw h ALA 25 Cb 0.55 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.99 2dkw h ALA 25 CO -0.04 -0.22 0.21 -2.37 0.00 0.00 0.00 179.25 176.84 2dkw n THR 26 N -2.91 3.16 -3.70 0.00 5.66 -0.34 -4.77 114.28 111.38 2dkw n THR 26 Ca -0.02 -3.72 -0.14 0.00 -3.05 0.00 0.00 64.05 57.12 2dkw n THR 26 Cb 0.28 -1.18 -0.14 0.00 -1.55 0.00 0.00 70.33 67.74 2dkw n THR 26 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2dkw s ASP 27 N -2.45 0.13 0.04 1.09 1.01 -0.22 -4.93 116.67 111.33 2dkw s ASP 27 Ca 0.57 0.49 -0.08 0.00 0.71 0.00 0.00 52.55 54.24 2dkw s ASP 27 Cb 0.46 0.46 -0.02 0.00 1.01 0.00 0.00 42.92 44.83 2dkw s ASP 27 CO -0.07 -0.20 1.15 0.50 0.21 0.00 0.00 175.17 176.76 2dkw h LYS 28 N 7.77 -0.01 -1.15 8.23 3.64 -1.92 0.88 116.57 134.01 2dkw h LYS 28 Ca -0.27 0.00 0.33 0.00 -1.27 0.00 0.00 60.65 59.44 2dkw h LYS 28 Cb 1.13 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 2dkw h LYS 28 CO 0.26 -0.01 0.75 0.07 -2.27 0.00 0.00 179.45 178.24 2dkw h ARG 29 N -0.02 0.25 -0.78 1.90 0.11 -1.97 0.68 114.38 114.55 2dkw h ARG 29 Ca 0.04 -0.02 -0.49 0.00 0.10 0.00 0.00 59.98 59.62 2dkw h ARG 29 Cb 0.12 -0.06 -0.27 0.00 1.11 0.00 0.00 29.97 30.87 2dkw h ARG 29 CO -0.24 0.17 0.24 1.19 0.10 0.00 0.00 179.97 181.43 2dkw n PHE 30 N -4.61 2.53 0.24 4.08 3.72 0.20 -4.39 117.46 119.23 2dkw n PHE 30 Ca 0.29 -2.26 0.07 0.00 -0.05 0.00 0.00 57.45 55.50 2dkw n PHE 30 Cb 1.09 -0.88 -0.10 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.98 1.31 0.23 4.37 2.85 0.25 -3.93 115.26 119.36 2dkw n ASN 31 Ca 0.51 -0.31 0.13 0.00 -0.11 0.00 0.00 54.58 54.80 2dkw n ASN 31 Cb 1.03 1.41 0.29 0.00 1.24 0.00 0.00 39.78 43.75 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 0.03 0.06 -1.44 3.07 -1.77 -3.22 117.51 114.24 2dkw h ILE 32 Ca 0.00 -0.93 -0.30 0.00 1.55 0.00 0.00 64.86 65.19 2dkw h ILE 32 Cb 0.54 1.90 -0.03 0.00 -0.27 0.00 0.00 36.82 38.95 2dkw h ILE 32 CO 0.00 0.02 -1.61 -0.26 -1.05 0.00 0.00 178.15 175.25 2dkw h PHE 33 N 0.00 0.22 -0.45 0.16 0.04 -1.88 -3.33 116.94 111.70 2dkw h PHE 33 Ca -0.00 -0.16 0.13 0.00 2.80 0.00 0.00 57.97 60.74 2dkw h PHE 33 Cb 0.90 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 2dkw h PHE 33 CO 0.00 1.24 0.60 0.66 -0.60 0.00 0.00 178.31 180.21 2dkw h SER 34 N 0.03 0.00 -2.99 2.17 4.64 -1.74 -3.36 113.55 112.31 2dkw h SER 34 Ca -0.26 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.58 2dkw h SER 34 Cb 1.99 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.93 2dkw h SER 34 CO 0.11 0.00 -0.73 -0.54 -0.87 0.00 0.00 176.83 174.81 2dkw s LYS 35 N -4.48 1.43 -0.33 4.77 1.02 -1.25 -3.99 119.74 116.90 2dkw s LYS 35 Ca -0.04 -1.66 -0.29 0.00 0.02 0.00 0.00 55.97 54.01 2dkw s LYS 35 Cb 0.14 -1.23 -0.01 0.00 -0.52 0.00 0.00 37.83 36.20 2dkw s LYS 35 CO 0.47 0.18 1.69 -1.25 -0.92 0.00 0.00 175.35 175.52 2dkw s PRO 36 N -3.64 3.44 -0.39 -1.68 0.04 -1.26 -4.89 135.00 126.62 2dkw s PRO 36 Ca 0.25 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 2dkw s PRO 36 Cb -0.01 -4.14 0.13 0.00 0.04 0.00 0.00 34.50 30.53 2dkw s PRO 36 CO 0.09 -1.73 2.44 1.33 0.04 0.00 0.00 177.00 179.18 2dkw n VAL 37 N 7.25 3.09 -2.84 -0.36 0.24 -1.26 -4.93 118.33 119.51 2dkw n VAL 37 Ca 0.21 -2.38 -0.20 0.00 -2.04 0.00 0.00 64.34 59.93 2dkw n VAL 37 Cb 0.47 -1.48 0.05 0.00 -1.47 0.00 0.00 33.84 31.41 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 0.24 5.15 -0.09 -1.34 0.15 -1.26 -4.75 113.70 111.81 2dkw s SER 38 Ca 0.47 -0.42 -0.21 0.00 0.70 0.00 0.00 55.95 56.50 2dkw s SER 38 Cb 0.33 -0.33 -0.17 0.00 -1.71 0.00 0.00 66.02 64.14 2dkw s SER 38 CO -0.12 -1.23 0.73 -0.78 1.20 0.00 0.00 173.24 173.04 2dkw h ASP 39 N 0.14 -0.08 -6.21 5.45 1.82 -1.92 -3.47 116.42 112.15 2dkw h ASP 39 Ca -0.37 -0.51 -0.49 0.00 -0.39 0.00 0.00 57.03 55.27 2dkw h ASP 39 Cb 1.28 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.32 2dkw h ASP 39 CO 0.45 0.60 -0.13 0.00 -1.61 0.00 0.00 179.24 178.55 2dkw n TYR 40 N -4.79 -1.78 -4.03 0.28 9.36 -1.26 -5.14 117.16 109.80 2dkw n TYR 40 Ca -0.07 -2.06 -0.22 0.00 3.32 0.00 0.00 57.90 58.87 2dkw n TYR 40 Cb 0.29 -0.49 -0.04 0.00 -0.63 0.00 0.00 39.34 38.47 2dkw n TYR 40 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 2dkw s LEU 41 N 0.00 3.74 -0.63 2.98 2.34 -1.26 -4.52 118.68 121.34 2dkw s LEU 41 Ca 0.48 -0.33 -0.08 0.00 0.06 0.00 0.00 54.13 54.27 2dkw s LEU 41 Cb -0.04 -2.30 0.08 0.00 -0.56 0.00 0.00 46.19 43.37 2dkw s LEU 41 CO 0.31 -0.13 0.20 -1.84 -1.06 0.00 0.00 176.35 173.83 2dkw n GLU 42 N -1.23 -1.79 -0.32 1.48 0.28 -1.26 -4.68 120.64 113.11 2dkw n GLU 42 Ca -0.06 0.05 0.08 0.00 -0.16 0.00 0.00 57.16 57.07 2dkw n GLU 42 Cb 0.58 -3.58 0.21 0.00 1.43 0.00 0.00 31.44 30.09 2dkw n GLU 42 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2dkw n VAL 43 N -2.52 1.96 -4.29 3.84 3.14 -1.26 -4.99 118.33 114.22 2dkw n VAL 43 Ca 0.04 -1.77 -0.35 0.00 -2.96 0.00 0.00 64.34 59.30 2dkw n VAL 43 Cb 0.37 -0.10 -0.09 0.00 -1.06 0.00 0.00 33.84 32.96 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 -2.47 4.46 -0.08 1.55 -1.09 -1.26 -5.02 121.20 117.29 2dkw s ILE 44 Ca 0.36 -0.18 -0.18 0.00 -2.23 0.00 0.00 60.65 58.41 2dkw s ILE 44 Cb 0.28 -2.90 -0.29 0.00 -1.58 0.00 0.00 42.46 37.97 2dkw s ILE 44 CO 0.08 0.59 0.69 0.11 -1.23 0.00 0.00 174.94 175.18 2dkw h LYS 45 N 5.38 0.27 -2.12 2.79 1.57 -2.03 -3.40 116.57 119.03 2dkw h LYS 45 Ca -0.49 -0.47 -0.55 0.00 -1.87 0.00 0.00 60.65 57.27 2dkw h LYS 45 Cb 1.19 0.17 -0.41 0.00 0.08 0.00 0.00 32.23 33.27 2dkw h LYS 45 CO 0.57 1.22 -0.90 0.39 -0.57 0.00 0.00 179.45 180.16 2dkw n GLU 46 N -3.99 1.84 -2.11 3.15 1.02 -1.26 -5.08 120.64 114.22 2dkw n GLU 46 Ca -0.21 -4.01 -0.43 0.00 -0.02 0.00 0.00 57.16 52.49 2dkw n GLU 46 Cb 0.88 -1.85 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 2dkw n GLU 46 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2dkw s PRO 47 N -2.40 3.65 -0.16 3.49 0.04 -1.26 -4.95 135.00 133.40 2dkw s PRO 47 Ca 0.41 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2dkw s PRO 47 Cb 0.24 -4.08 0.03 0.00 0.04 0.00 0.00 34.50 30.73 2dkw s PRO 47 CO -0.09 -1.47 -0.13 1.41 0.04 0.00 0.00 177.00 176.76 2dkw s MET 48 N 4.97 2.20 0.27 4.56 1.75 -1.26 -5.07 119.30 126.73 2dkw s MET 48 Ca 0.73 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 54.56 2dkw s MET 48 Cb -0.23 -2.18 -0.05 0.00 2.84 0.00 0.00 34.83 35.20 2dkw s MET 48 CO 0.31 -0.29 0.09 0.16 -0.65 0.00 0.00 175.02 174.63 2dkw s ASP 49 N 1.47 1.48 0.34 1.11 1.47 -1.26 -4.25 116.67 117.02 2dkw s ASP 49 Ca 0.03 -1.38 0.03 0.00 1.18 0.00 0.00 52.55 52.41 2dkw s ASP 49 Cb -0.14 0.10 0.59 0.00 -0.34 0.00 0.00 42.92 43.14 2dkw s ASP 49 CO -0.10 -0.70 1.93 -0.07 0.68 0.00 0.00 175.17 176.90 2dkw h LEU 50 N 2.32 0.63 0.36 2.11 3.38 -1.77 -2.03 115.31 120.30 2dkw h LEU 50 Ca -0.39 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2dkw h LEU 50 Cb 1.25 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2dkw h LEU 50 CO 0.63 0.58 -0.43 -1.28 0.09 0.00 0.00 178.44 178.02 2dkw h SER 51 N 0.69 -1.21 0.46 -0.43 0.87 -1.88 -0.69 113.55 111.37 2dkw h SER 51 Ca 0.17 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2dkw h SER 51 Cb 0.14 0.42 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2dkw h SER 51 CO -0.02 -0.57 -0.08 0.00 -0.53 0.00 0.00 176.83 175.64 2dkw h THR 52 N -0.83 0.35 -0.11 2.23 1.03 -1.86 -2.31 112.91 111.41 2dkw h THR 52 Ca -0.03 -0.46 -0.15 0.00 -0.01 0.00 0.00 66.41 65.76 2dkw h THR 52 Cb 0.76 1.34 -0.01 0.00 -1.07 0.00 0.00 68.15 69.17 2dkw h THR 52 CO -0.11 0.08 -0.56 0.58 -0.01 0.00 0.00 175.52 175.50 2dkw h VAL 53 N 0.00 1.35 -0.16 0.00 2.07 -0.53 -2.96 116.25 116.03 2dkw h VAL 53 Ca -0.00 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 2dkw h VAL 53 Cb 0.33 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2dkw h VAL 53 CO 0.01 0.56 -0.08 0.40 0.02 0.00 0.00 177.57 178.48 2dkw h ILE 54 N 0.27 1.31 -0.16 4.57 2.04 -0.58 -3.18 117.51 121.78 2dkw h ILE 54 Ca 0.00 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.78 2dkw h ILE 54 Cb 1.06 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 2dkw h ILE 54 CO 0.09 0.33 -0.09 0.74 0.00 0.00 0.00 178.15 179.22 2dkw h THR 55 N -0.00 0.72 -0.79 -0.27 2.02 -1.55 -2.25 112.91 110.78 2dkw h THR 55 Ca 0.03 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.40 2dkw h THR 55 Cb 0.55 0.72 -0.14 0.00 -1.74 0.00 0.00 68.15 67.55 2dkw h THR 55 CO 0.02 0.00 0.02 0.11 0.37 0.00 0.00 175.52 176.05 2dkw h LYS 56 N -0.08 0.10 0.00 6.66 1.57 -1.55 0.93 116.57 124.20 2dkw h LYS 56 Ca 0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2dkw h LYS 56 Cb 0.22 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2dkw h LYS 56 CO -0.21 0.07 -0.07 0.82 -0.57 0.00 0.00 179.45 179.49 2dkw h ILE 57 N 0.10 0.98 -0.05 1.86 2.04 -1.40 0.27 117.51 121.32 2dkw h ILE 57 Ca 0.44 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2dkw h ILE 57 Cb 0.80 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2dkw h ILE 57 CO -0.69 0.07 0.00 0.47 0.00 0.00 0.00 178.15 177.99 2dkw n ASP 58 N -4.36 1.63 -0.33 1.72 8.00 0.30 -3.70 116.55 119.81 2dkw n ASP 58 Ca -0.03 -1.57 0.08 0.00 0.71 0.00 0.00 54.79 53.98 2dkw n ASP 58 Cb 0.15 -0.02 0.15 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.28 2.12 -3.84 -1.24 4.76 0.05 -4.99 118.16 115.29 2dkw n LYS 59 Ca 0.18 -2.45 -0.26 0.00 -2.87 0.00 0.00 58.31 52.92 2dkw n LYS 59 Cb 0.37 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 -0.89 -1.75 -0.04 2.13 8.25 -1.06 -4.88 115.22 116.97 2dkw n HIS 60 Ca 0.15 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 2dkw n HIS 60 Cb 0.63 -3.82 -0.13 0.00 1.12 0.00 0.00 29.99 27.80 2dkw n HIS 60 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2dkw n ASN 61 N -2.94 1.17 -4.62 0.41 4.13 -0.93 -4.93 115.26 107.54 2dkw n ASN 61 Ca -0.26 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.64 2dkw n ASN 61 Cb 0.67 1.33 -0.10 0.00 -1.54 0.00 0.00 39.78 40.13 2dkw n ASN 61 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2dkw s TYR 62 N -2.77 3.25 -0.11 3.10 2.02 -1.26 -4.96 117.35 116.62 2dkw s TYR 62 Ca -0.07 0.06 0.06 0.00 -0.37 0.00 0.00 57.07 56.74 2dkw s TYR 62 Cb 0.08 -2.14 -0.11 0.00 -0.40 0.00 0.00 41.96 39.40 2dkw s TYR 62 CO 0.67 0.09 -0.02 1.28 -1.57 0.00 0.00 175.55 175.99 2dkw n LEU 63 N 3.83 1.20 -4.43 -1.29 4.77 -1.26 -4.99 117.00 114.82 2dkw n LEU 63 Ca -0.16 -0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 2dkw n LEU 63 Cb 0.52 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2dkw n LEU 63 CO 0.35 0.43 -0.53 0.42 -1.33 0.00 0.00 177.39 176.73 2dkw s THR 64 N -2.24 2.45 0.30 -5.08 -4.23 -1.26 -4.49 115.64 101.08 2dkw s THR 64 Ca -0.10 -1.87 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 2dkw s THR 64 Cb 0.04 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2dkw s THR 64 CO 0.36 -0.03 1.66 0.00 -0.54 0.00 0.00 174.62 176.07 2dkw h ALA 65 N 3.43 1.07 -0.37 3.99 0.00 -1.95 -3.16 119.26 122.27 2dkw h ALA 65 Ca -0.48 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 53.93 2dkw h ALA 65 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2dkw h ALA 65 CO 0.46 0.69 0.23 -0.22 0.00 0.00 0.00 179.25 180.41 2dkw h LYS 66 N 0.01 0.46 -0.22 0.00 3.64 -1.98 -2.79 116.57 115.69 2dkw h LYS 66 Ca -0.01 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2dkw h LYS 66 Cb 0.98 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2dkw h LYS 66 CO 0.07 0.30 0.09 -0.44 -2.27 0.00 0.00 179.45 177.20 2dkw h ASP 67 N 0.47 0.12 -1.03 4.20 5.19 -1.98 -2.12 116.42 121.26 2dkw h ASP 67 Ca 0.14 0.02 0.27 0.00 -0.62 0.00 0.00 57.03 56.84 2dkw h ASP 67 Cb -0.02 -0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.37 2dkw h ASP 67 CO -0.05 0.10 0.63 0.15 -3.12 0.00 0.00 179.24 176.95 2dkw h PHE 68 N 0.20 0.86 0.20 4.55 3.57 -1.50 -0.60 116.94 124.21 2dkw h PHE 68 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2dkw h PHE 68 Cb 0.04 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.54 2dkw h PHE 68 CO -0.11 0.02 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.83 2dkw h LEU 69 N 0.46 -0.23 -1.37 0.59 3.38 -1.21 -2.94 115.31 113.99 2dkw h LEU 69 Ca 0.65 -0.21 0.41 0.00 0.09 0.00 0.00 57.88 58.81 2dkw h LEU 69 Cb 1.45 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 42.13 2dkw h LEU 69 CO -0.43 0.10 0.80 0.11 0.09 0.00 0.00 178.44 179.12 2dkw h LYS 70 N -0.57 0.13 -0.38 1.13 1.57 -0.84 1.08 116.57 118.68 2dkw h LYS 70 Ca -0.03 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 2dkw h LYS 70 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2dkw h LYS 70 CO 0.04 0.09 -0.36 -0.44 -0.57 0.00 0.00 179.45 178.21 2dkw h ASP 71 N 0.13 0.96 -0.37 0.86 5.19 -1.33 -3.03 116.42 118.84 2dkw h ASP 71 Ca 0.79 -0.42 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 2dkw h ASP 71 Cb 2.38 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 41.60 2dkw h ASP 71 CO -0.42 1.21 0.14 0.40 -3.12 0.00 0.00 179.24 177.45 2dkw h ILE 72 N 0.74 1.18 -0.53 0.35 1.08 0.13 -2.24 117.51 118.23 2dkw h ILE 72 Ca 0.07 -0.60 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 2dkw h ILE 72 Cb 0.94 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 2dkw h ILE 72 CO 0.09 0.23 0.22 -0.78 -0.69 0.00 0.00 178.15 177.22 2dkw h ASP 73 N 0.62 0.68 0.73 1.72 1.82 -1.24 -1.54 116.42 119.22 2dkw h ASP 73 Ca 0.15 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 2dkw h ASP 73 Cb 0.18 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 2dkw h ASP 73 CO -0.01 0.60 -0.18 0.25 -1.61 0.00 0.00 179.24 178.30 2dkw h LEU 74 N 0.75 0.00 -0.54 2.28 5.85 -1.38 -2.79 115.31 119.48 2dkw h LEU 74 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2dkw h LEU 74 Cb 0.13 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2dkw h LEU 74 CO -0.02 0.18 0.30 0.40 -0.34 0.00 0.00 178.44 178.95 2dkw h ILE 75 N 0.00 1.18 -0.08 4.05 2.04 -1.16 -2.71 117.51 120.83 2dkw h ILE 75 Ca -0.00 -0.45 -0.23 0.00 1.00 0.00 0.00 64.86 65.17 2dkw h ILE 75 Cb 0.59 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2dkw h ILE 75 CO 0.02 0.19 -0.86 0.00 0.00 0.00 0.00 178.15 177.50 2dkw h SER 77 N 0.41 0.62 0.52 0.00 0.87 -1.35 0.14 113.55 114.76 2dkw h SER 77 Ca -0.09 0.12 -0.22 0.00 -1.23 0.00 0.00 61.79 60.38 2dkw h SER 77 Cb 1.51 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2dkw h SER 77 CO 0.17 0.14 -0.97 0.78 -0.53 0.00 0.00 176.83 176.43 2dkw h ASN 78 N 0.60 0.38 0.00 6.23 2.35 -1.51 -1.91 115.58 121.72 2dkw h ASN 78 Ca 0.59 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2dkw h ASN 78 Cb 1.03 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2dkw h ASN 78 CO -0.45 1.15 0.04 0.00 -1.65 0.00 0.00 177.43 176.52 2dkw h ALA 79 N 0.82 1.03 0.00 -0.83 0.00 -0.51 -2.14 119.26 117.63 2dkw h ALA 79 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dkw h ALA 79 Cb 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2dkw h ALA 79 CO 0.16 -0.03 -0.57 1.28 0.00 0.00 0.00 179.25 180.09 2dkw n LEU 80 N -2.67 1.40 0.00 0.00 4.77 -0.94 -4.63 117.00 114.93 2dkw n LEU 80 Ca -0.02 0.22 -0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2dkw n LEU 80 Cb 0.09 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2dkw n LEU 80 CO 0.14 -0.44 0.50 -0.33 -1.33 0.00 0.00 177.39 175.94 2dkw h GLU 81 N -0.57 -0.01 -3.64 3.23 3.07 -1.36 -3.00 114.58 112.31 2dkw h GLU 81 Ca 0.00 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.22 2dkw h GLU 81 Cb 0.57 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2dkw h GLU 81 CO 0.00 -0.01 3.19 0.66 -1.40 0.00 0.00 179.01 181.45 2dkw n TYR 82 N -2.51 2.58 -3.63 4.33 4.02 -0.81 -4.80 117.16 116.35 2dkw n TYR 82 Ca -0.00 -2.69 -0.15 0.00 -0.01 0.00 0.00 57.90 55.05 2dkw n TYR 82 Cb 0.00 -2.28 -0.07 0.00 -0.02 0.00 0.00 39.34 36.97 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 3.14 -0.62 -0.06 7.72 -0.87 -1.13 -4.28 114.94 118.84 2dkw s ASN 83 Ca 0.55 1.02 -0.30 0.00 -1.57 0.00 0.00 52.86 52.56 2dkw s ASN 83 Cb 0.15 1.00 -0.05 0.00 -0.02 0.00 0.00 41.25 42.33 2dkw s ASN 83 CO -0.04 -0.35 1.49 -2.16 -2.57 0.00 0.00 177.10 173.47 2dkw s PRO 84 N -0.24 4.22 0.64 -0.60 0.04 -1.26 -4.99 135.00 132.81 2dkw s PRO 84 Ca -0.04 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2dkw s PRO 84 Cb -0.03 -3.80 0.08 0.00 0.04 0.00 0.00 34.50 30.79 2dkw s PRO 84 CO 0.04 -0.73 0.89 0.16 0.04 0.00 0.00 177.00 177.39 2dkw s ASP 85 N 2.58 4.79 -1.27 6.66 -4.77 -1.26 -4.36 116.67 119.04 2dkw s ASP 85 Ca 0.66 -0.24 -0.11 0.00 -3.30 0.00 0.00 52.55 49.57 2dkw s ASP 85 Cb -0.30 -0.36 0.09 0.00 -1.09 0.00 0.00 42.92 41.25 2dkw s ASP 85 CO 0.25 -1.52 0.48 1.17 0.70 0.00 0.00 175.17 176.26 2dkw n LYS 86 N -2.59 -3.10 -4.51 2.11 0.00 -1.26 -4.93 118.16 103.88 2dkw n LYS 86 Ca 0.12 0.40 -0.20 0.00 0.00 0.00 0.00 58.31 58.63 2dkw n LYS 86 Cb 0.60 -5.08 -0.15 0.00 0.00 0.00 0.00 35.03 30.40 2dkw n LYS 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2dkw s ASP 87 N -2.75 1.36 -0.85 3.14 -1.08 -1.26 -5.08 116.67 110.15 2dkw s ASP 87 Ca 0.43 -0.21 -0.25 0.00 -0.52 0.00 0.00 52.55 52.00 2dkw s ASP 87 Cb -0.23 -0.15 -0.04 0.00 -1.46 0.00 0.00 42.92 41.03 2dkw s ASP 87 CO 0.53 0.14 1.93 -2.16 0.52 0.00 0.00 175.17 176.14 2dkw s PRO 88 N -0.28 2.56 0.00 4.34 0.04 -1.26 -2.87 135.00 137.53 2dkw s PRO 88 Ca 0.04 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2dkw s PRO 88 Cb -0.05 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.55 2dkw s PRO 88 CO -0.00 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 174.18 2dkw n GLY 89 N 6.65 0.37 0.12 0.56 0.00 -1.26 -4.99 105.19 106.64 2dkw n GLY 89 Ca 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.21 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 0.12 0.39 -0.83 1.61 1.82 -1.80 -3.37 116.42 114.37 2dkw h ASP 90 Ca 0.00 -0.59 0.19 0.00 -0.39 0.00 0.00 57.03 56.24 2dkw h ASP 90 Cb 0.00 -0.13 -0.16 0.00 0.68 0.00 0.00 39.33 39.73 2dkw h ASP 90 CO 0.00 1.50 -0.13 0.29 -1.61 0.00 0.00 179.24 179.30 2dkw n LYS 91 N -3.44 -0.07 -0.12 0.28 5.02 -1.26 0.14 118.16 118.71 2dkw n LYS 91 Ca -0.19 1.27 -0.09 0.00 -2.02 0.00 0.00 58.31 57.28 2dkw n LYS 91 Cb 1.05 -1.94 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 2dkw n LYS 91 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2dkw h ILE 92 N 0.00 1.17 -0.84 -0.18 5.03 -1.96 -2.90 117.51 117.83 2dkw h ILE 92 Ca 0.43 -0.47 0.21 0.00 -0.12 0.00 0.00 64.86 64.91 2dkw h ILE 92 Cb 0.76 0.82 -0.14 0.00 -3.03 0.00 0.00 36.82 35.22 2dkw h ILE 92 CO -0.82 0.18 0.07 0.40 -0.68 0.00 0.00 178.15 177.29 2dkw h ILE 93 N 0.45 0.27 0.30 -0.67 1.08 0.11 -1.20 117.51 117.84 2dkw h ILE 93 Ca 0.12 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.55 2dkw h ILE 93 Cb 0.12 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 33.98 2dkw h ILE 93 CO -0.02 0.02 -0.47 0.03 -0.69 0.00 0.00 178.15 177.02 2dkw h ARG 94 N 0.11 -0.79 -0.44 2.37 3.08 -1.25 -0.29 114.38 117.18 2dkw h ARG 94 Ca 0.49 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.66 2dkw h ARG 94 Cb 0.93 0.18 -0.09 0.00 0.08 0.00 0.00 29.97 31.06 2dkw h ARG 94 CO -0.72 -0.52 -0.43 1.25 -1.07 0.00 0.00 179.97 178.48 2dkw h HIS 95 N -0.82 -1.25 0.03 3.04 2.76 -1.28 -2.05 115.15 115.58 2dkw h HIS 95 Ca -0.03 0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2dkw h HIS 95 Cb 0.75 0.61 -0.04 0.00 1.55 0.00 0.00 27.41 30.28 2dkw h HIS 95 CO -0.34 -0.44 -0.39 0.00 -1.30 0.00 0.00 177.93 175.47 2dkw h ARG 96 N -0.30 -0.49 -0.96 5.26 -0.00 -1.13 -0.77 114.38 115.98 2dkw h ARG 96 Ca 0.15 0.03 0.40 0.00 -0.50 0.00 0.00 59.98 60.06 2dkw h ARG 96 Cb 0.58 0.11 -0.17 0.00 0.00 0.00 0.00 29.97 30.49 2dkw h ARG 96 CO -0.60 -0.33 0.50 0.00 0.00 0.00 0.00 179.97 179.54 2dkw n ALA 97 N -2.83 0.97 -0.08 0.04 0.00 -0.14 0.13 120.51 118.60 2dkw n ALA 97 Ca -0.06 0.98 -0.12 0.00 0.00 0.00 0.00 53.44 54.24 2dkw n ALA 97 Cb 0.29 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 0.20 1.03 -0.16 0.00 2.02 0.21 -2.87 112.91 113.34 2dkw h THR 99 Ca 0.05 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 66.66 2dkw h THR 99 Cb 0.65 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 2dkw h THR 99 CO 0.04 0.14 -0.43 0.25 0.37 0.00 0.00 175.52 175.89 2dkw h LEU 100 N -0.44 -1.40 -0.80 2.58 5.85 -0.59 0.57 115.31 121.09 2dkw h LEU 100 Ca -0.02 0.17 0.19 0.00 0.84 0.00 0.00 57.88 59.06 2dkw h LEU 100 Cb 0.35 0.55 -0.14 0.00 0.37 0.00 0.00 40.66 41.79 2dkw h LEU 100 CO 0.03 -0.37 -0.02 0.50 -0.34 0.00 0.00 178.44 178.24 2dkw h LYS 101 N -0.43 0.07 -0.05 1.25 3.64 -1.56 0.79 116.57 120.29 2dkw h LYS 101 Ca 0.03 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2dkw h LYS 101 Cb 0.52 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2dkw h LYS 101 CO -0.38 0.05 -0.36 0.22 -2.27 0.00 0.00 179.45 176.71 2dkw h ASP 102 N 0.08 0.09 0.47 4.20 3.58 -1.00 -2.66 116.42 121.17 2dkw h ASP 102 Ca 0.44 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.83 2dkw h ASP 102 Cb 0.78 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2dkw h ASP 102 CO -0.73 0.45 -0.23 0.74 -2.88 0.00 0.00 179.24 176.59 2dkw h THR 103 N 0.08 0.00 -0.03 2.25 2.02 0.59 -2.09 112.91 115.73 2dkw h THR 103 Ca 0.01 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.90 2dkw h THR 103 Cb 0.68 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 2dkw h THR 103 CO 0.05 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 175.46 2dkw h ALA 104 N -1.41 -0.89 -1.01 6.16 0.00 -0.99 -0.23 119.26 120.89 2dkw h ALA 104 Ca -0.06 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.02 2dkw h ALA 104 Cb 0.48 0.92 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 2dkw h ALA 104 CO 0.11 -1.04 0.62 0.45 0.00 0.00 0.00 179.25 179.38 2dkw h HIS 105 N -0.58 0.93 -0.65 0.00 -0.00 -1.60 0.24 115.15 113.48 2dkw h HIS 105 Ca 0.01 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.37 2dkw h HIS 105 Cb 0.64 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.75 2dkw h HIS 105 CO -0.52 0.08 0.21 0.00 -0.00 0.00 0.00 177.93 177.70 2dkw h ALA 106 N 1.70 0.85 -0.48 2.45 0.00 -0.40 -0.98 119.26 122.40 2dkw h ALA 106 Ca 0.63 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 2dkw h ALA 106 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dkw h ALA 106 CO -0.43 0.52 -0.13 0.82 0.00 0.00 0.00 179.25 180.03 2dkw h ILE 107 N 0.94 1.27 0.10 0.00 2.04 0.10 -1.29 117.51 120.67 2dkw h ILE 107 Ca 0.21 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 2dkw h ILE 107 Cb 0.28 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2dkw h ILE 107 CO -0.01 0.44 -0.05 0.40 0.00 0.00 0.00 178.15 178.94 2dkw h ILE 108 N 0.80 1.03 -0.17 -0.67 1.08 -0.92 0.16 117.51 118.82 2dkw h ILE 108 Ca 0.12 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 2dkw h ILE 108 Cb 0.69 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 2dkw h ILE 108 CO 0.05 0.12 0.09 0.00 -0.69 0.00 0.00 178.15 177.72 2dkw h ALA 109 N 0.53 0.20 0.70 1.87 0.00 -1.19 0.22 119.26 121.60 2dkw h ALA 109 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2dkw h ALA 109 Cb 0.29 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dkw h ALA 109 CO 0.02 -0.33 -0.34 0.00 0.00 0.00 0.00 179.25 178.61 2dkw h ALA 110 N 1.07 -1.10 -0.98 0.00 0.00 -1.22 -3.37 119.26 113.68 2dkw h ALA 110 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2dkw h ALA 110 Cb -0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dkw h ALA 110 CO -0.03 -1.03 0.00 0.39 0.00 0.00 0.00 179.25 178.58 2dkw n GLU 111 N -4.87 0.00 -1.03 0.00 1.02 0.55 -4.77 120.64 111.54 2dkw n GLU 111 Ca -0.12 0.36 -0.36 0.00 -0.02 0.00 0.00 57.16 57.02 2dkw n GLU 111 Cb 0.37 -1.34 0.03 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.55 -5.43 -4.28 -4.62 7.94 0.77 -5.00 117.00 104.85 2dkw n LEU 112 Ca 0.00 0.27 -0.18 0.00 -1.11 0.00 0.00 56.01 54.99 2dkw n LEU 112 Cb 0.00 -0.76 -0.11 0.00 0.53 0.00 0.00 43.42 43.08 2dkw n LEU 112 CO 0.00 -5.66 -0.45 -1.81 -1.11 0.00 0.00 177.39 168.37 2dkw s ASP 113 N -0.98 2.17 0.00 1.96 1.01 -1.26 -4.81 116.67 114.77 2dkw s ASP 113 Ca 0.43 -0.89 0.15 0.00 0.71 0.00 0.00 52.55 52.94 2dkw s ASP 113 Cb -0.24 -0.08 0.77 0.00 1.01 0.00 0.00 42.92 44.37 2dkw s ASP 113 CO 0.78 -0.17 1.40 -0.81 0.21 0.00 0.00 175.17 176.58 2dkw n PRO 114 N 0.19 0.24 -0.09 8.23 -0.04 -1.26 -2.13 135.00 140.14 2dkw n PRO 114 Ca -0.13 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2dkw n PRO 114 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.25 0.71 -0.11 0.54 0.28 -1.26 -4.36 120.64 115.19 2dkw n GLU 115 Ca 0.07 0.08 -0.14 0.00 -0.16 0.00 0.00 57.16 57.02 2dkw n GLU 115 Cb 0.11 -1.36 -0.03 0.00 1.43 0.00 0.00 31.44 31.59 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 1.07 -0.90 -1.84 3.57 -1.94 -3.08 116.94 113.83 2dkw h PHE 116 Ca -0.40 -0.33 0.05 0.00 3.53 0.00 0.00 57.97 60.82 2dkw h PHE 116 Cb 1.68 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 40.14 2dkw h PHE 116 CO 0.02 1.15 0.59 -0.97 -2.23 0.00 0.00 178.31 176.86 2dkw h ASN 117 N 0.69 0.93 -0.35 0.41 -1.24 -1.68 -1.16 115.58 113.18 2dkw h ASN 117 Ca 0.05 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.02 2dkw h ASN 117 Cb 0.99 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.81 2dkw h ASN 117 CO 0.10 0.62 0.09 0.11 -1.29 0.00 0.00 177.43 177.05 2dkw h LYS 118 N 1.07 0.64 0.00 6.67 1.57 -1.74 -1.62 116.57 123.16 2dkw h LYS 118 Ca 0.37 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2dkw h LYS 118 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2dkw h LYS 118 CO -0.13 0.60 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.76 2dkw h LEU 119 N 0.63 0.00 0.27 2.94 3.38 -1.19 -1.45 115.31 119.89 2dkw h LEU 119 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dkw h LEU 119 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dkw h LEU 119 CO -0.00 0.53 -0.13 0.00 0.09 0.00 0.00 178.44 178.92 2dkw h GLU 121 N -1.06 0.22 -0.05 0.00 4.11 -1.42 -2.86 114.58 113.52 2dkw h GLU 121 Ca -0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.37 2dkw h GLU 121 Cb 0.37 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2dkw h GLU 121 CO 0.06 0.31 -0.05 0.93 0.07 0.00 0.00 179.01 180.33 2dkw h GLU 122 N 0.21 -0.06 -0.57 1.06 4.39 -1.34 -1.84 114.58 116.43 2dkw h GLU 122 Ca 0.05 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.86 2dkw h GLU 122 Cb 0.27 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2dkw h GLU 122 CO 0.01 -0.04 0.39 0.82 -1.16 0.00 0.00 179.01 179.03 2dkw h ILE 123 N -0.06 0.86 0.27 3.13 2.04 -1.39 -2.15 117.51 120.21 2dkw h ILE 123 Ca 0.04 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2dkw h ILE 123 Cb 0.12 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2dkw h ILE 123 CO -0.09 0.06 -0.13 0.50 0.00 0.00 0.00 178.15 178.49 2dkw h LYS 124 N 0.31 -0.35 0.11 2.37 3.64 -1.31 0.31 116.57 121.65 2dkw h LYS 124 Ca 0.27 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2dkw h LYS 124 Cb 0.63 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2dkw h LYS 124 CO -0.06 -0.19 -0.09 0.93 -2.27 0.00 0.00 179.45 177.76 2dkw h GLU 125 N -0.41 -0.19 -0.17 1.90 5.08 -1.14 -2.25 114.58 117.39 2dkw h GLU 125 Ca -0.04 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2dkw h GLU 125 Cb 0.31 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2dkw h GLU 125 CO 0.06 -0.13 0.25 0.77 -1.00 0.00 0.00 179.01 178.97 2dkw h SER 126 N -0.20 0.00 -2.42 1.42 0.02 -1.57 -3.36 113.55 107.44 2dkw h SER 126 Ca -0.01 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.56 2dkw h SER 126 Cb 0.17 0.00 0.20 0.00 0.14 0.00 0.00 62.40 62.91 2dkw h SER 126 CO -0.00 0.00 -0.57 0.61 -1.14 0.00 0.00 176.83 175.72 2dkw n GLY 127 N -1.34 -2.69 0.27 -3.77 0.00 0.11 -4.86 105.19 92.91 2dkw n GLY 127 Ca 0.01 -1.01 0.17 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.61 0.00 0.63 1.61 0.13 -1.83 -3.27 132.00 126.66 2dkw h PRO 128 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2dkw h PRO 128 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2dkw h PRO 128 CO 0.32 0.00 -0.46 0.77 -0.23 0.00 0.00 178.00 178.40 2dkw h SER 129 N 0.00 -1.21 -1.43 1.44 0.02 -1.86 -3.31 113.55 107.20 2dkw h SER 129 Ca 0.00 0.08 -0.66 0.00 -0.84 0.00 0.00 61.79 60.37 2dkw h SER 129 Cb 0.48 0.37 -0.12 0.00 0.14 0.00 0.00 62.40 63.27 2dkw h SER 129 CO 0.00 -0.67 1.58 -0.44 -1.14 0.00 0.00 176.83 176.16 2dkw s SER 130 N -4.05 6.72 0.00 3.07 0.01 -1.23 -5.15 113.70 113.07 2dkw s SER 130 Ca -0.17 -2.12 0.00 0.00 1.31 0.00 0.00 55.95 54.97 2dkw s SER 130 Cb 0.03 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2dkw s SER 130 CO 0.55 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.61