#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 3.61 1.07 1.61 0.15 -1.26 -5.12 113.70 113.76 2dkw s SER 2 Ca 0.00 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.11 2dkw s SER 2 Cb 0.00 -1.42 0.23 0.00 -1.71 0.00 0.00 66.02 63.12 2dkw s SER 2 CO 0.00 0.18 1.06 -0.94 1.20 0.00 0.00 173.24 174.75 2dkw s SER 3 N 0.23 1.83 -0.36 5.45 1.04 -1.26 -4.83 113.70 115.80 2dkw s SER 3 Ca -0.12 1.52 -0.27 0.00 0.48 0.00 0.00 55.95 57.56 2dkw s SER 3 Cb -0.16 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 2dkw s SER 3 CO 0.06 -3.67 2.29 -0.83 0.98 0.00 0.00 173.24 172.07 2dkw s GLY 4 N -2.84 0.06 -0.28 7.32 0.00 -1.26 -4.89 107.32 105.42 2dkw s GLY 4 Ca 0.67 0.38 -0.20 0.00 0.00 0.00 0.00 44.72 45.57 2dkw s GLY 4 CO 0.61 3.95 0.94 -0.45 0.00 0.00 0.00 173.10 178.15 2dkw s SER 5 N 10.11 -0.56 -0.79 1.64 0.15 -1.26 -4.95 113.70 118.04 2dkw s SER 5 Ca 0.98 0.96 -0.23 0.00 0.70 0.00 0.00 55.95 58.36 2dkw s SER 5 Cb -0.25 1.13 -0.17 0.00 -1.71 0.00 0.00 66.02 65.03 2dkw s SER 5 CO 0.30 -0.16 2.38 -0.24 1.20 0.00 0.00 173.24 176.73 2dkw n SER 6 N 3.23 1.27 0.15 5.45 2.88 -1.26 -4.22 113.62 121.11 2dkw n SER 6 Ca -0.16 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.26 2dkw n SER 6 Cb 0.57 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2dkw n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkw n GLY 7 N 6.46 -0.68 0.12 0.46 0.00 -1.26 -4.94 105.19 105.35 2dkw n GLY 7 Ca 0.50 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 46.40 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 0.51 -1.27 1.61 -0.73 -1.98 -3.17 115.58 110.55 2dkw h ASN 8 Ca 0.00 -0.92 0.37 0.00 1.87 0.00 0.00 56.30 57.62 2dkw h ASN 8 Cb 0.00 -0.17 -0.08 0.00 0.27 0.00 0.00 38.32 38.34 2dkw h ASN 8 CO 0.00 1.52 0.88 0.74 -0.37 0.00 0.00 177.43 180.19 2dkw h THR 9 N -0.26 0.33 0.17 -3.57 2.02 -1.93 0.46 112.91 110.14 2dkw h THR 9 Ca -0.21 -0.04 -0.32 0.00 0.77 0.00 0.00 66.41 66.61 2dkw h THR 9 Cb 1.77 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2dkw h THR 9 CO 0.15 0.02 -1.52 -0.07 0.37 0.00 0.00 175.52 174.47 2dkw h LEU 10 N 0.12 0.56 0.37 2.58 -0.00 -1.93 -3.24 115.31 113.77 2dkw h LEU 10 Ca 0.67 -0.70 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2dkw h LEU 10 Cb 2.32 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 42.77 2dkw h LEU 10 CO -0.16 1.57 -0.46 -0.09 -0.00 0.00 0.00 178.44 179.30 2dkw h ARG 11 N 0.10 -0.82 -0.93 1.13 9.65 -0.06 0.28 114.38 123.73 2dkw h ARG 11 Ca -0.25 0.06 0.16 0.00 -1.10 0.00 0.00 59.98 58.84 2dkw h ARG 11 Cb 2.07 0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 30.75 2dkw h ARG 11 CO 0.20 -0.54 0.59 1.05 2.80 0.00 0.00 179.97 184.07 2dkw h GLU 12 N -0.85 0.67 -0.26 0.20 4.11 -1.56 0.63 114.58 117.52 2dkw h GLU 12 Ca -0.04 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 2dkw h GLU 12 Cb 0.76 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2dkw h GLU 12 CO -0.10 0.45 -0.31 1.25 0.07 0.00 0.00 179.01 180.36 2dkw h LEU 13 N 0.69 0.56 0.64 3.06 5.85 -1.41 -2.31 115.31 122.39 2dkw h LEU 13 Ca 0.48 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2dkw h LEU 13 Cb 0.80 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2dkw h LEU 13 CO -0.24 0.84 -0.35 -0.09 -0.34 0.00 0.00 178.44 178.26 2dkw h ARG 14 N 0.47 -0.88 -1.01 1.25 2.43 0.19 -0.73 114.38 116.10 2dkw h ARG 14 Ca 0.06 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2dkw h ARG 14 Cb 0.77 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 2dkw h ARG 14 CO 0.06 -0.59 0.67 -0.07 -1.51 0.00 0.00 179.97 178.53 2dkw h LEU 15 N -0.91 1.13 0.17 3.80 3.38 -1.49 -1.16 115.31 120.22 2dkw h LEU 15 Ca -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2dkw h LEU 15 Cb 0.72 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2dkw h LEU 15 CO 0.11 0.79 -0.09 0.15 0.09 0.00 0.00 178.44 179.50 2dkw h PHE 16 N 1.32 -0.24 -0.39 1.13 3.57 -1.19 -0.29 116.94 120.85 2dkw h PHE 16 Ca 0.39 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.96 2dkw h PHE 16 Cb -0.07 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.66 2dkw h PHE 16 CO -0.00 -0.14 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.56 2dkw h LEU 17 N -0.24 -1.01 -0.93 0.59 3.38 -1.12 0.42 115.31 116.41 2dkw h LEU 17 Ca -0.02 0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.32 2dkw h LEU 17 Cb 0.19 0.48 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 2dkw h LEU 17 CO 0.03 -0.31 0.50 -0.09 0.09 0.00 0.00 178.44 178.66 2dkw h ARG 18 N -0.24 0.59 -0.94 1.13 2.43 -1.22 0.16 114.38 116.29 2dkw h ARG 18 Ca 0.18 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2dkw h ARG 18 Cb 0.52 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 2dkw h ARG 18 CO -0.52 0.39 0.61 0.22 -1.51 0.00 0.00 179.97 179.16 2dkw h ASP 19 N 0.60 1.09 0.66 -3.80 3.58 0.92 -1.20 116.42 118.27 2dkw h ASP 19 Ca 0.55 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.93 2dkw h ASP 19 Cb 0.91 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.69 2dkw h ASP 19 CO -0.43 0.80 -0.32 0.58 -2.88 0.00 0.00 179.24 176.99 2dkw h VAL 20 N 1.28 0.23 0.24 2.25 2.07 -0.07 -3.09 116.25 119.15 2dkw h VAL 20 Ca 0.34 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2dkw h VAL 20 Cb -0.13 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 2dkw h VAL 20 CO -0.07 0.02 -0.47 0.74 0.02 0.00 0.00 177.57 177.82 2dkw h THR 21 N -1.08 0.09 -0.74 2.57 2.02 -1.29 -2.68 112.91 111.80 2dkw h THR 21 Ca -0.09 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.18 2dkw h THR 21 Cb 0.72 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 67.11 2dkw h THR 21 CO 0.15 0.00 -0.36 1.17 0.37 0.00 0.00 175.52 176.85 2dkw n LYS 22 N -5.50 -0.25 -0.12 6.66 0.00 -0.46 0.10 118.16 118.59 2dkw n LYS 22 Ca -0.09 1.13 -0.05 0.00 0.00 0.00 0.00 58.31 59.31 2dkw n LYS 22 Cb 0.41 -1.67 0.02 0.00 0.00 0.00 0.00 35.03 33.78 2dkw n LYS 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2dkw h ARG 23 N 0.00 -0.00 0.32 1.64 2.43 -1.40 0.30 114.38 117.67 2dkw h ARG 23 Ca 0.19 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2dkw h ARG 23 Cb 0.38 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2dkw h ARG 23 CO -0.72 -0.00 -0.47 -0.07 -1.51 0.00 0.00 179.97 177.20 2dkw h LEU 24 N -0.00 -1.35 0.00 3.80 3.38 0.96 0.35 115.31 122.46 2dkw h LEU 24 Ca 0.20 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2dkw h LEU 24 Cb 0.30 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2dkw h LEU 24 CO -0.42 -0.57 0.00 0.00 0.09 0.00 0.00 178.44 177.54 2dkw n ALA 25 N -2.81 -0.33 -0.32 1.53 0.00 -0.40 -2.46 120.51 115.72 2dkw n ALA 25 Ca -0.10 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.51 2dkw n ALA 25 Cb 0.40 0.15 0.34 0.00 0.00 0.00 0.00 19.45 20.35 2dkw n ALA 25 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dkw h THR 26 N 0.00 0.19 -1.98 0.00 1.35 -0.98 -3.29 112.91 108.19 2dkw h THR 26 Ca 0.00 -0.04 -0.63 0.00 -0.55 0.00 0.00 66.41 65.18 2dkw h THR 26 Cb 0.00 0.05 0.03 0.00 -1.73 0.00 0.00 68.15 66.49 2dkw h THR 26 CO 0.00 0.02 0.96 -0.67 -0.25 0.00 0.00 175.52 175.59 2dkw n ASP 27 N -5.30 3.09 0.03 5.36 2.03 0.12 -4.81 116.55 117.07 2dkw n ASP 27 Ca 0.25 1.02 -0.13 0.00 0.52 0.00 0.00 54.79 56.45 2dkw n ASP 27 Cb 0.81 -1.33 -0.08 0.00 -0.72 0.00 0.00 41.12 39.79 2dkw n ASP 27 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2dkw h LYS 28 N 7.91 -0.51 -0.83 -0.67 1.79 -1.83 0.33 116.57 122.76 2dkw h LYS 28 Ca -0.47 0.03 0.22 0.00 -2.18 0.00 0.00 60.65 58.25 2dkw h LYS 28 Cb 1.28 0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 31.89 2dkw h LYS 28 CO 0.93 -0.34 -0.02 0.54 -1.08 0.00 0.00 179.45 179.48 2dkw n ARG 29 N -4.94 -0.07 -2.14 3.15 5.12 -1.26 0.89 116.66 117.41 2dkw n ARG 29 Ca -0.06 1.25 -0.31 0.00 -1.93 0.00 0.00 57.85 56.80 2dkw n ARG 29 Cb 0.32 -1.96 0.02 0.00 -1.16 0.00 0.00 32.46 29.68 2dkw n ARG 29 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2dkw n PHE 30 N -5.21 3.18 0.62 -1.55 3.72 -0.57 -4.55 117.46 113.09 2dkw n PHE 30 Ca 0.18 -2.74 0.07 0.00 -0.05 0.00 0.00 57.45 54.91 2dkw n PHE 30 Cb 0.60 -0.59 -0.08 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.57 0.69 0.12 4.37 2.85 0.26 -3.63 115.26 119.35 2dkw n ASN 31 Ca 0.47 -0.79 0.02 0.00 -0.11 0.00 0.00 54.58 54.16 2dkw n ASN 31 Cb 0.57 1.03 0.00 0.00 1.24 0.00 0.00 39.78 42.62 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 0.84 -0.02 -1.44 3.07 -1.80 -3.33 117.51 114.83 2dkw h ILE 32 Ca 0.00 -2.23 -0.13 0.00 1.55 0.00 0.00 64.86 64.05 2dkw h ILE 32 Cb 0.34 2.37 0.01 0.00 -0.27 0.00 0.00 36.82 39.27 2dkw h ILE 32 CO 0.00 0.48 -0.51 -0.26 -1.05 0.00 0.00 178.15 176.81 2dkw h PHE 33 N 0.00 0.54 -1.07 0.16 0.04 -1.91 -3.26 116.94 111.44 2dkw h PHE 33 Ca -0.03 -0.28 0.43 0.00 2.80 0.00 0.00 57.97 60.88 2dkw h PHE 33 Cb 1.43 -0.07 -0.17 0.00 2.20 0.00 0.00 35.95 39.34 2dkw h PHE 33 CO 0.00 1.09 0.60 1.03 -0.60 0.00 0.00 178.31 180.43 2dkw h SER 34 N -0.15 0.31 -2.89 2.17 0.87 -1.77 -3.39 113.55 108.69 2dkw h SER 34 Ca -0.06 0.24 -0.48 0.00 -1.23 0.00 0.00 61.79 60.26 2dkw h SER 34 Cb 1.21 0.25 0.01 0.00 -0.44 0.00 0.00 62.40 63.42 2dkw h SER 34 CO 0.10 -0.40 -0.18 -0.54 -0.53 0.00 0.00 176.83 175.28 2dkw s LYS 35 N -5.48 3.51 -0.63 2.24 3.01 -1.23 -4.08 119.74 117.08 2dkw s LYS 35 Ca -0.09 -0.27 -0.26 0.00 -1.01 0.00 0.00 55.97 54.34 2dkw s LYS 35 Cb 0.33 -2.66 -0.02 0.00 -1.01 0.00 0.00 37.83 34.47 2dkw s LYS 35 CO 0.79 0.15 1.87 -1.25 0.51 0.00 0.00 175.35 177.42 2dkw s PRO 36 N -4.18 2.62 -1.40 -1.68 0.04 -1.26 -4.88 135.00 124.26 2dkw s PRO 36 Ca 0.41 0.56 -0.09 0.00 0.04 0.00 0.00 61.00 61.91 2dkw s PRO 36 Cb -0.10 -4.43 -0.08 0.00 0.04 0.00 0.00 34.50 29.93 2dkw s PRO 36 CO 0.35 -2.78 2.97 1.33 0.04 0.00 0.00 177.00 178.92 2dkw n VAL 37 N 7.25 4.27 -4.03 -0.36 0.24 -1.26 -4.83 118.33 119.61 2dkw n VAL 37 Ca 0.22 -2.67 -0.10 0.00 -2.04 0.00 0.00 64.34 59.75 2dkw n VAL 37 Cb 0.52 -2.47 -0.06 0.00 -1.47 0.00 0.00 33.84 30.36 2dkw n VAL 37 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2dkw s SER 38 N 1.92 -0.04 -0.08 -1.34 0.01 -1.26 -4.74 113.70 108.17 2dkw s SER 38 Ca 0.68 -1.00 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 2dkw s SER 38 Cb 0.20 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.98 2dkw s SER 38 CO -0.06 -1.10 0.06 -0.78 0.41 0.00 0.00 173.24 171.77 2dkw h ASP 39 N 2.31 -0.04 -5.14 2.44 3.58 -1.94 -3.48 116.42 114.14 2dkw h ASP 39 Ca -0.27 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.88 2dkw h ASP 39 Cb 1.25 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 2dkw h ASP 39 CO 0.38 0.37 -0.09 0.00 -2.88 0.00 0.00 179.24 177.01 2dkw n TYR 40 N -4.34 -1.82 -0.06 0.28 9.36 -1.26 -5.08 117.16 114.24 2dkw n TYR 40 Ca -0.01 -1.24 -0.10 0.00 3.32 0.00 0.00 57.90 59.87 2dkw n TYR 40 Cb 0.02 -0.28 -0.05 0.00 -0.63 0.00 0.00 39.34 38.40 2dkw n TYR 40 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 2dkw n LEU 41 N 0.00 2.19 0.01 2.98 -0.00 -1.26 -4.72 117.00 116.20 2dkw n LEU 41 Ca 0.04 0.02 -0.12 0.00 -0.00 0.00 0.00 56.01 55.95 2dkw n LEU 41 Cb 0.34 -0.38 -0.08 0.00 -0.00 0.00 0.00 43.42 43.30 2dkw n LEU 41 CO 0.21 0.52 0.76 -0.33 -0.00 0.00 0.00 177.39 178.56 2dkw h GLU 42 N -0.16 0.02 -1.34 1.47 4.39 -2.01 -2.76 114.58 114.19 2dkw h GLU 42 Ca -0.27 -0.00 0.39 0.00 0.34 0.00 0.00 59.36 59.81 2dkw h GLU 42 Cb 1.34 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.94 2dkw h GLU 42 CO -0.09 0.24 1.21 1.55 -1.16 0.00 0.00 179.01 180.76 2dkw n VAL 43 N -4.97 0.00 -3.07 3.13 3.14 -1.26 -4.10 118.33 111.20 2dkw n VAL 43 Ca -0.07 1.25 -0.40 0.00 -2.96 0.00 0.00 64.34 62.16 2dkw n VAL 43 Cb 0.13 -2.16 -0.05 0.00 -1.06 0.00 0.00 33.84 30.70 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 -4.44 5.03 -0.06 1.55 1.01 -1.04 -4.98 121.20 118.26 2dkw s ILE 44 Ca -0.03 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 61.81 2dkw s ILE 44 Cb 0.18 -4.00 -0.11 0.00 0.01 0.00 0.00 42.46 38.54 2dkw s ILE 44 CO 0.60 0.19 0.60 0.11 0.00 0.00 0.00 174.94 176.44 2dkw h LYS 45 N 7.01 -0.24 -3.24 2.79 1.79 -1.86 -3.40 116.57 119.41 2dkw h LYS 45 Ca -0.37 0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.46 2dkw h LYS 45 Cb 1.17 0.06 -0.39 0.00 -1.58 0.00 0.00 32.23 31.49 2dkw h LYS 45 CO 0.77 0.06 -0.38 -1.83 -1.08 0.00 0.00 179.45 176.99 2dkw s GLU 46 N -2.88 2.74 -0.30 3.15 1.03 -1.26 -5.06 118.70 116.11 2dkw s GLU 46 Ca -0.09 -3.19 -0.29 0.00 0.03 0.00 0.00 54.97 51.44 2dkw s GLU 46 Cb 0.00 -3.64 -0.02 0.00 -0.80 0.00 0.00 34.13 29.67 2dkw s GLU 46 CO 0.32 -1.25 1.67 -1.25 -1.33 0.00 0.00 175.26 173.41 2dkw s PRO 47 N -1.19 3.54 -0.04 -4.83 0.04 -1.26 -4.99 135.00 126.27 2dkw s PRO 47 Ca 0.24 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.76 2dkw s PRO 47 Cb -0.09 -4.11 -0.01 0.00 0.04 0.00 0.00 34.50 30.33 2dkw s PRO 47 CO -0.12 -1.60 -0.19 1.41 0.04 0.00 0.00 177.00 176.53 2dkw s MET 48 N 5.18 1.86 -0.17 4.56 1.75 -1.26 -5.07 119.30 126.15 2dkw s MET 48 Ca 0.74 -0.69 -0.21 0.00 -1.25 0.00 0.00 55.69 54.28 2dkw s MET 48 Cb -0.22 -1.66 0.05 0.00 2.84 0.00 0.00 34.83 35.85 2dkw s MET 48 CO 0.32 0.33 0.55 -0.51 -0.65 0.00 0.00 175.02 175.05 2dkw s ASP 49 N -0.16 -0.55 0.63 1.11 1.11 -1.26 -4.76 116.67 112.80 2dkw s ASP 49 Ca -0.00 0.96 0.21 0.00 0.18 0.00 0.00 52.55 53.90 2dkw s ASP 49 Cb -0.11 0.97 1.03 0.00 1.07 0.00 0.00 42.92 45.88 2dkw s ASP 49 CO 0.01 -0.28 1.54 -0.07 1.18 0.00 0.00 175.17 177.56 2dkw h LEU 50 N 4.79 0.00 -0.06 1.23 3.38 -1.80 0.27 115.31 123.13 2dkw h LEU 50 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2dkw h LEU 50 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2dkw h LEU 50 CO 0.21 0.00 -0.00 0.28 0.09 0.00 0.00 178.44 179.02 2dkw h SER 51 N 0.00 0.11 1.02 -0.43 0.02 -1.91 -1.95 113.55 110.40 2dkw h SER 51 Ca 0.17 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 2dkw h SER 51 Cb 1.64 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 64.15 2dkw h SER 51 CO -0.00 0.41 -0.12 0.00 -1.14 0.00 0.00 176.83 175.97 2dkw h THR 52 N -0.19 0.30 -0.09 -2.27 1.03 -0.83 -3.10 112.91 107.77 2dkw h THR 52 Ca 0.02 -0.86 -0.16 0.00 -0.01 0.00 0.00 66.41 65.39 2dkw h THR 52 Cb 0.35 1.67 0.01 0.00 -1.07 0.00 0.00 68.15 69.11 2dkw h THR 52 CO 0.00 0.12 -0.57 0.58 -0.01 0.00 0.00 175.52 175.64 2dkw h VAL 53 N 0.00 1.36 -0.27 0.00 2.07 -1.25 -3.01 116.25 115.15 2dkw h VAL 53 Ca -0.00 -1.89 0.08 0.00 0.82 0.00 0.00 66.70 65.70 2dkw h VAL 53 Cb 0.66 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2dkw h VAL 53 CO 0.02 0.57 0.20 0.40 0.02 0.00 0.00 177.57 178.77 2dkw h ILE 54 N 0.16 0.86 -0.06 4.57 2.04 -1.27 -1.83 117.51 121.97 2dkw h ILE 54 Ca -0.05 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.67 2dkw h ILE 54 Cb 1.22 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2dkw h ILE 54 CO 0.12 0.00 -0.54 0.74 0.00 0.00 0.00 178.15 178.47 2dkw h THR 55 N 0.00 1.39 -0.19 -0.27 2.02 -1.59 -3.27 112.91 111.01 2dkw h THR 55 Ca 0.13 -1.93 0.05 0.00 0.77 0.00 0.00 66.41 65.43 2dkw h THR 55 Cb 0.52 2.37 -0.06 0.00 -1.74 0.00 0.00 68.15 69.24 2dkw h THR 55 CO -0.00 0.57 -0.17 0.11 0.37 0.00 0.00 175.52 176.39 2dkw h LYS 56 N 0.01 -0.18 -0.93 6.66 1.79 -1.20 0.25 116.57 122.97 2dkw h LYS 56 Ca -0.05 0.01 0.23 0.00 -2.18 0.00 0.00 60.65 58.66 2dkw h LYS 56 Cb 1.21 0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 31.78 2dkw h LYS 56 CO 0.11 -0.12 0.46 0.82 -1.08 0.00 0.00 179.45 179.64 2dkw h ILE 57 N -0.19 0.50 0.00 1.86 2.04 -1.58 0.34 117.51 120.49 2dkw h ILE 57 Ca 0.12 -0.16 -0.19 0.00 1.00 0.00 0.00 64.86 65.63 2dkw h ILE 57 Cb 0.37 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2dkw h ILE 57 CO -0.30 0.08 -0.88 -0.78 0.00 0.00 0.00 178.15 176.27 2dkw h ASP 58 N 0.46 0.00 -0.26 1.72 3.58 -1.31 -3.22 116.42 117.39 2dkw h ASP 58 Ca 0.59 -0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.88 2dkw h ASP 58 Cb 1.11 -0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.08 2dkw h ASP 58 CO -0.51 0.88 0.19 0.29 -2.88 0.00 0.00 179.24 177.22 2dkw n LYS 59 N -3.49 1.37 -3.76 0.28 4.76 0.11 -4.83 118.16 112.60 2dkw n LYS 59 Ca -0.00 -0.81 -0.29 0.00 -2.87 0.00 0.00 58.31 54.33 2dkw n LYS 59 Cb 0.84 -1.32 -0.06 0.00 -1.84 0.00 0.00 35.03 32.65 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 0.35 -0.87 -0.01 2.13 8.25 -1.05 -4.75 115.22 119.27 2dkw n HIS 60 Ca 0.16 0.49 -0.10 0.00 -0.26 0.00 0.00 57.72 58.01 2dkw n HIS 60 Cb 0.71 -1.53 -0.14 0.00 1.12 0.00 0.00 29.99 30.16 2dkw n HIS 60 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2dkw h ASN 61 N -0.74 0.05 -3.06 0.41 4.21 -1.56 -3.46 115.58 111.42 2dkw h ASN 61 Ca -0.45 -0.10 -0.63 0.00 1.21 0.00 0.00 56.30 56.34 2dkw h ASN 61 Cb 1.02 -0.01 -0.11 0.00 -1.12 0.00 0.00 38.32 38.09 2dkw h ASN 61 CO 0.62 1.08 -0.50 -0.31 -1.29 0.00 0.00 177.43 177.04 2dkw s TYR 62 N -2.60 3.44 -0.01 1.19 2.02 -1.26 -4.96 117.35 115.17 2dkw s TYR 62 Ca -0.06 0.35 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 2dkw s TYR 62 Cb 0.08 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 2dkw s TYR 62 CO 0.82 0.43 0.00 1.47 -1.57 0.00 0.00 175.55 176.70 2dkw n LEU 63 N 2.94 0.00 0.00 -1.29 -0.00 -1.26 -4.92 117.00 112.47 2dkw n LEU 63 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.53 2dkw n LEU 63 Cb 0.53 0.01 -0.06 0.00 -0.00 0.00 0.00 43.42 43.90 2dkw n LEU 63 CO 0.34 0.01 -0.23 0.35 -0.00 0.00 0.00 177.39 177.87 2dkw n THR 64 N -1.97 0.00 0.18 1.47 -2.24 -1.26 -4.62 114.28 105.85 2dkw n THR 64 Ca -0.01 -2.27 0.12 0.00 -2.27 0.00 0.00 64.05 59.62 2dkw n THR 64 Cb 0.46 0.46 0.04 0.00 -2.10 0.00 0.00 70.33 69.19 2dkw n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dkw h ALA 65 N 1.25 0.55 -0.03 6.98 0.00 -1.98 -3.36 119.26 122.67 2dkw h ALA 65 Ca -0.40 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2dkw h ALA 65 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2dkw h ALA 65 CO 0.66 0.00 -0.17 -0.22 0.00 0.00 0.00 179.25 179.52 2dkw h LYS 66 N 0.00 0.17 -0.05 0.00 1.63 -1.99 -2.85 116.57 113.48 2dkw h LYS 66 Ca 0.00 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2dkw h LYS 66 Cb 0.96 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2dkw h LYS 66 CO 0.00 0.80 0.14 0.38 -3.45 0.00 0.00 179.45 177.32 2dkw h ASP 67 N -0.42 0.00 1.02 4.20 3.04 -2.00 0.21 116.42 122.48 2dkw h ASP 67 Ca -0.01 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.65 2dkw h ASP 67 Cb 0.83 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.10 2dkw h ASP 67 CO 0.03 0.00 -1.04 0.15 -2.04 0.00 0.00 179.24 176.35 2dkw h PHE 68 N 0.00 0.00 0.17 4.15 3.57 -1.69 -3.31 116.94 119.83 2dkw h PHE 68 Ca 0.02 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.20 2dkw h PHE 68 Cb 0.31 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.06 2dkw h PHE 68 CO 0.00 0.50 -1.60 -0.07 -2.23 0.00 0.00 178.31 174.91 2dkw h LEU 69 N 0.00 0.55 -1.76 0.59 3.38 -0.44 -3.27 115.31 114.36 2dkw h LEU 69 Ca -0.09 -0.75 0.02 0.00 0.09 0.00 0.00 57.88 57.15 2dkw h LEU 69 Cb 1.46 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2dkw h LEU 69 CO 0.05 1.62 0.20 0.07 0.09 0.00 0.00 178.44 180.47 2dkw h LYS 70 N 0.10 0.31 -0.08 1.13 2.10 -1.21 -1.14 116.57 117.77 2dkw h LYS 70 Ca -0.28 -0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.19 2dkw h LYS 70 Cb 2.07 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 33.32 2dkw h LYS 70 CO 0.19 0.20 -0.65 0.38 -2.00 0.00 0.00 179.45 177.57 2dkw h ASP 71 N 0.32 0.39 -0.25 7.07 3.04 -1.66 -3.18 116.42 122.15 2dkw h ASP 71 Ca 0.12 -0.23 -0.11 0.00 -3.24 0.00 0.00 57.03 53.57 2dkw h ASP 71 Cb 0.08 -0.11 -0.00 0.00 -1.04 0.00 0.00 39.33 38.25 2dkw h ASP 71 CO -0.03 0.93 -0.26 0.40 -2.04 0.00 0.00 179.24 178.25 2dkw h ILE 72 N 0.24 1.31 -0.23 4.15 1.08 -1.29 -2.91 117.51 119.87 2dkw h ILE 72 Ca -0.01 -1.43 0.07 0.00 -0.39 0.00 0.00 64.86 63.09 2dkw h ILE 72 Cb 1.19 1.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.60 2dkw h ILE 72 CO 0.11 0.45 0.21 -0.78 -0.69 0.00 0.00 178.15 177.45 2dkw h ASP 73 N 0.33 0.00 0.03 1.72 1.82 -1.35 -1.24 116.42 117.73 2dkw h ASP 73 Ca 0.04 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.46 2dkw h ASP 73 Cb 0.83 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.85 2dkw h ASP 73 CO 0.06 0.00 -0.86 0.25 -1.61 0.00 0.00 179.24 177.09 2dkw h LEU 74 N 0.00 0.71 0.46 2.28 5.85 -1.50 -3.02 115.31 120.09 2dkw h LEU 74 Ca 0.11 -0.77 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 2dkw h LEU 74 Cb 0.53 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2dkw h LEU 74 CO -0.00 1.40 -0.36 0.40 -0.34 0.00 0.00 178.44 179.53 2dkw h ILE 75 N 0.10 0.26 -0.16 4.05 2.04 -1.07 0.16 117.51 122.90 2dkw h ILE 75 Ca -0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.80 2dkw h ILE 75 Cb 1.55 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 2dkw h ILE 75 CO 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 178.06 2dkw h SER 77 N -0.30 -1.12 -0.84 0.00 0.02 -1.39 -2.82 113.55 107.10 2dkw h SER 77 Ca 0.11 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.24 2dkw h SER 77 Cb 0.47 0.37 -0.12 0.00 0.14 0.00 0.00 62.40 63.26 2dkw h SER 77 CO -0.34 -0.58 -0.54 0.78 -1.14 0.00 0.00 176.83 175.01 2dkw h ASN 78 N -0.88 -1.94 -0.72 3.07 2.35 -0.40 0.47 115.58 117.53 2dkw h ASN 78 Ca -0.05 0.30 0.12 0.00 -0.55 0.00 0.00 56.30 56.12 2dkw h ASN 78 Cb 0.77 0.87 -0.13 0.00 0.05 0.00 0.00 38.32 39.87 2dkw h ASN 78 CO -0.04 -0.28 -0.37 0.00 -1.65 0.00 0.00 177.43 175.09 2dkw h ALA 79 N 0.52 -0.02 -0.73 -0.83 0.00 -1.19 0.30 119.26 117.31 2dkw h ALA 79 Ca 0.17 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.38 2dkw h ALA 79 Cb 0.49 0.89 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 2dkw h ALA 79 CO -0.85 -0.68 0.35 -0.07 0.00 0.00 0.00 179.25 177.99 2dkw h LEU 80 N -0.12 0.42 -0.07 0.00 3.38 -0.70 -2.15 115.31 116.07 2dkw h LEU 80 Ca 0.26 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2dkw h LEU 80 Cb 0.56 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dkw h LEU 80 CO -0.78 0.22 0.02 -0.33 0.09 0.00 0.00 178.44 177.67 2dkw h GLU 81 N 0.57 0.11 -3.70 1.13 4.39 0.61 -3.35 114.58 114.33 2dkw h GLU 81 Ca 0.37 -0.02 -0.77 0.00 0.34 0.00 0.00 59.36 59.28 2dkw h GLU 81 Cb 0.45 -0.02 -0.29 0.00 -0.10 0.00 0.00 28.75 28.80 2dkw h GLU 81 CO -0.31 0.27 0.07 0.71 -1.16 0.00 0.00 179.01 178.59 2dkw s TYR 82 N -5.44 3.80 -0.25 4.33 2.02 0.68 -4.99 117.35 117.50 2dkw s TYR 82 Ca -0.14 -2.31 -0.26 0.00 -0.37 0.00 0.00 57.07 53.99 2dkw s TYR 82 Cb 0.05 -3.68 0.10 0.00 -0.40 0.00 0.00 41.96 38.04 2dkw s TYR 82 CO 0.68 -0.94 0.92 -0.80 -1.57 0.00 0.00 175.55 173.84 2dkw s ASN 83 N 1.60 -0.54 -0.18 2.29 0.01 -1.19 -4.67 114.94 112.25 2dkw s ASN 83 Ca 0.21 0.98 -0.29 0.00 -0.71 0.00 0.00 52.86 53.05 2dkw s ASN 83 Cb -0.12 0.97 -0.03 0.00 0.41 0.00 0.00 41.25 42.49 2dkw s ASN 83 CO -0.08 -0.22 1.59 -2.16 -1.51 0.00 0.00 177.10 174.71 2dkw s PRO 84 N 0.06 3.92 -0.06 -0.60 0.04 -1.26 -4.91 135.00 132.19 2dkw s PRO 84 Ca 0.01 1.77 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 2dkw s PRO 84 Cb -0.04 -4.00 -0.31 0.00 0.04 0.00 0.00 34.50 30.19 2dkw s PRO 84 CO -0.02 -1.14 0.86 0.38 0.04 0.00 0.00 177.00 177.11 2dkw h ASP 85 N 10.23 0.42 -0.79 6.66 2.03 -2.00 -3.35 116.42 129.62 2dkw h ASP 85 Ca -0.34 -0.95 0.15 0.00 -0.73 0.00 0.00 57.03 55.16 2dkw h ASP 85 Cb 1.15 -0.14 -0.15 0.00 -0.83 0.00 0.00 39.33 39.37 2dkw h ASP 85 CO 0.99 1.37 -0.24 0.50 -1.03 0.00 0.00 179.24 180.83 2dkw h LYS 86 N -0.43 -0.03 -6.98 4.15 1.63 -2.05 -3.40 116.57 109.46 2dkw h LYS 86 Ca -0.14 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.13 2dkw h LYS 86 Cb 1.59 0.01 0.10 0.00 -0.60 0.00 0.00 32.23 33.32 2dkw h LYS 86 CO 0.13 -0.02 0.62 -0.51 -3.45 0.00 0.00 179.45 176.22 2dkw s ASP 87 N -5.24 6.02 -0.01 4.20 1.01 -1.26 -4.96 116.67 116.43 2dkw s ASP 87 Ca -0.14 2.71 -0.25 0.00 0.71 0.00 0.00 52.55 55.58 2dkw s ASP 87 Cb 0.22 -2.64 -0.19 0.00 1.01 0.00 0.00 42.92 41.31 2dkw s ASP 87 CO 0.74 -1.06 1.28 1.55 0.21 0.00 0.00 175.17 177.90 2dkw h PRO 88 N 2.34 0.07 -0.90 8.23 0.13 -1.89 -3.22 132.00 136.75 2dkw h PRO 88 Ca -0.50 -0.04 0.34 0.00 -0.87 0.00 0.00 66.00 64.93 2dkw h PRO 88 Cb 1.26 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 2dkw h PRO 88 CO 0.61 0.54 0.55 0.41 -0.23 0.00 0.00 178.00 179.87 2dkw n GLY 89 N 0.22 -0.59 0.37 1.56 0.00 -1.26 0.07 105.19 105.55 2dkw n GLY 89 Ca -0.08 0.58 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 2dkw n GLY 89 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dkw h ASP 90 N 0.00 -1.26 -0.94 1.61 2.03 -1.78 0.38 116.42 116.46 2dkw h ASP 90 Ca 0.64 0.29 0.30 0.00 -0.73 0.00 0.00 57.03 57.53 2dkw h ASP 90 Cb 1.92 0.69 -0.17 0.00 -0.83 0.00 0.00 39.33 40.93 2dkw h ASP 90 CO -0.44 -0.30 0.16 0.29 -1.03 0.00 0.00 179.24 177.92 2dkw n LYS 91 N -5.49 -0.07 0.27 4.15 5.02 0.11 -0.95 118.16 121.19 2dkw n LYS 91 Ca 0.10 1.37 -0.10 0.00 -2.02 0.00 0.00 58.31 57.66 2dkw n LYS 91 Cb 0.41 -2.25 -0.05 0.00 -0.02 0.00 0.00 35.03 33.12 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 0.00 -0.04 -0.18 2.04 -0.40 -1.63 117.51 117.30 2dkw h ILE 92 Ca 0.63 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.47 2dkw h ILE 92 Cb 1.44 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2dkw h ILE 92 CO -0.83 0.00 -0.08 0.40 0.00 0.00 0.00 178.15 177.64 2dkw h ILE 93 N -0.71 0.00 -1.00 -0.67 2.04 -0.97 0.75 117.51 116.95 2dkw h ILE 93 Ca -0.07 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.17 2dkw h ILE 93 Cb 0.52 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.43 2dkw h ILE 93 CO 0.11 0.00 0.54 0.08 0.00 0.00 0.00 178.15 178.89 2dkw h ARG 94 N -0.06 0.12 -0.24 2.37 0.11 -1.27 0.69 114.38 116.10 2dkw h ARG 94 Ca 0.01 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2dkw h ARG 94 Cb 0.08 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 2dkw h ARG 94 CO -0.07 0.08 0.07 1.25 0.10 0.00 0.00 179.97 181.40 2dkw h HIS 95 N 0.13 0.39 -0.22 4.08 2.76 -0.04 -3.13 115.15 119.11 2dkw h HIS 95 Ca 0.80 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.92 2dkw h HIS 95 Cb 2.01 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.85 2dkw h HIS 95 CO -0.02 0.45 0.09 0.00 -1.30 0.00 0.00 177.93 177.15 2dkw h ARG 96 N 0.21 0.33 -0.75 5.26 -0.00 0.25 -3.11 114.38 116.57 2dkw h ARG 96 Ca 0.08 -0.06 0.12 0.00 -0.50 0.00 0.00 59.98 59.62 2dkw h ARG 96 Cb 0.24 -0.05 -0.12 0.00 0.00 0.00 0.00 29.97 30.04 2dkw h ARG 96 CO -0.00 0.37 -0.28 0.00 0.00 0.00 0.00 179.97 180.06 2dkw n ALA 97 N -2.24 -0.05 -0.06 0.04 0.00 0.05 0.11 120.51 118.36 2dkw n ALA 97 Ca -0.03 0.76 -0.08 0.00 0.00 0.00 0.00 53.44 54.09 2dkw n ALA 97 Cb 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 0.08 0.00 -0.72 0.00 2.02 0.77 -2.51 112.91 112.55 2dkw h THR 99 Ca 0.12 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.40 2dkw h THR 99 Cb 0.15 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.45 2dkw h THR 99 CO -0.20 0.00 -0.31 -0.11 0.37 0.00 0.00 175.52 175.27 2dkw n LEU 100 N -4.26 -0.53 0.06 2.58 7.94 0.06 -0.75 117.00 122.11 2dkw n LEU 100 Ca -0.09 1.25 -0.05 0.00 -1.11 0.00 0.00 56.01 56.01 2dkw n LEU 100 Cb 0.32 -0.26 -0.03 0.00 0.53 0.00 0.00 43.42 43.98 2dkw n LEU 100 CO 0.22 -1.10 0.51 0.50 -1.11 0.00 0.00 177.39 176.40 2dkw h LYS 101 N 0.00 -0.24 -0.94 1.96 3.64 -1.39 -2.02 116.57 117.57 2dkw h LYS 101 Ca 0.22 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.78 2dkw h LYS 101 Cb 0.40 0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 32.11 2dkw h LYS 101 CO -0.70 -0.16 -0.32 -0.44 -2.27 0.00 0.00 179.45 175.55 2dkw h ASP 102 N -0.25 -1.19 -0.04 4.20 3.32 -0.55 -1.47 116.42 120.45 2dkw h ASP 102 Ca -0.01 0.29 0.01 0.00 0.02 0.00 0.00 57.03 57.34 2dkw h ASP 102 Cb 0.23 0.67 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 2dkw h ASP 102 CO -0.04 -0.30 -0.11 0.74 -1.72 0.00 0.00 179.24 177.80 2dkw h THR 103 N -0.01 0.00 -0.82 0.35 2.02 -0.67 0.29 112.91 114.06 2dkw h THR 103 Ca 0.38 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.70 2dkw h THR 103 Cb 0.63 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.90 2dkw h THR 103 CO -0.96 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 174.57 2dkw h ALA 104 N -1.18 0.10 -0.85 6.16 0.00 -0.57 0.52 119.26 123.44 2dkw h ALA 104 Ca 0.01 0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.30 2dkw h ALA 104 Cb 0.14 0.90 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 2dkw h ALA 104 CO -0.09 -0.63 0.44 0.45 0.00 0.00 0.00 179.25 179.41 2dkw h HIS 105 N -0.07 0.76 -0.35 0.00 -0.00 -0.80 0.98 115.15 115.67 2dkw h HIS 105 Ca 0.30 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.60 2dkw h HIS 105 Cb 0.58 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 2dkw h HIS 105 CO -0.76 0.17 -0.19 0.00 -0.00 0.00 0.00 177.93 177.16 2dkw h ALA 106 N 1.56 0.49 -0.36 2.45 0.00 0.20 -1.43 119.26 122.19 2dkw h ALA 106 Ca 0.47 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dkw h ALA 106 Cb 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2dkw h ALA 106 CO -0.37 0.43 0.21 0.82 0.00 0.00 0.00 179.25 180.34 2dkw h ILE 107 N 0.52 1.13 0.16 0.00 2.04 0.70 0.14 117.51 122.20 2dkw h ILE 107 Ca 0.08 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2dkw h ILE 107 Cb 0.73 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2dkw h ILE 107 CO 0.05 0.13 -0.08 0.40 0.00 0.00 0.00 178.15 178.66 2dkw h ILE 108 N 0.46 0.95 -0.51 -0.67 1.08 -0.85 0.34 117.51 118.30 2dkw h ILE 108 Ca 0.13 -0.50 0.04 0.00 -0.39 0.00 0.00 64.86 64.13 2dkw h ILE 108 Cb 0.02 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 2dkw h ILE 108 CO -0.02 0.12 0.27 0.00 -0.69 0.00 0.00 178.15 177.83 2dkw h ALA 109 N 0.34 0.65 0.57 1.87 0.00 -1.19 0.78 119.26 122.27 2dkw h ALA 109 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2dkw h ALA 109 Cb 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2dkw h ALA 109 CO 0.04 -0.06 -0.27 0.00 0.00 0.00 0.00 179.25 178.95 2dkw h ALA 110 N 1.26 -0.76 0.89 0.00 0.00 -0.68 -3.35 119.26 116.62 2dkw h ALA 110 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2dkw h ALA 110 Cb 0.10 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dkw h ALA 110 CO -0.14 -0.72 -0.48 0.93 0.00 0.00 0.00 179.25 178.84 2dkw h GLU 111 N -1.16 -1.22 -6.95 0.00 5.08 -0.29 -3.43 114.58 106.61 2dkw h GLU 111 Ca -0.08 0.08 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2dkw h GLU 111 Cb 0.61 0.28 0.15 0.00 0.50 0.00 0.00 28.75 30.29 2dkw h GLU 111 CO 0.13 -0.81 0.38 -0.11 -1.00 0.00 0.00 179.01 177.59 2dkw n LEU 112 N -5.55 4.77 -4.54 1.33 7.94 0.27 -5.02 117.00 116.20 2dkw n LEU 112 Ca -0.16 0.89 -0.25 0.00 -1.11 0.00 0.00 56.01 55.38 2dkw n LEU 112 Cb 0.51 -1.49 -0.09 0.00 0.53 0.00 0.00 43.42 42.88 2dkw n LEU 112 CO 0.37 -1.20 -0.43 -1.81 -1.11 0.00 0.00 177.39 173.21 2dkw s ASP 113 N -1.13 4.02 0.00 1.96 1.01 -1.26 -4.73 116.67 116.54 2dkw s ASP 113 Ca 0.75 -0.77 0.14 0.00 0.71 0.00 0.00 52.55 53.38 2dkw s ASP 113 Cb -0.42 -0.56 0.69 0.00 1.01 0.00 0.00 42.92 43.64 2dkw s ASP 113 CO 0.47 0.06 1.42 -0.81 0.21 0.00 0.00 175.17 176.52 2dkw n PRO 114 N -0.38 0.14 -0.11 8.23 -0.04 -1.26 -2.22 135.00 139.37 2dkw n PRO 114 Ca -0.08 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 2dkw n PRO 114 Cb 0.58 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.36 0.75 -0.03 0.54 -0.00 -1.26 -4.12 120.64 115.16 2dkw n GLU 115 Ca 0.06 0.08 -0.12 0.00 -0.00 0.00 0.00 57.16 57.18 2dkw n GLU 115 Cb 0.13 -1.46 0.02 0.00 -0.00 0.00 0.00 31.44 30.13 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2dkw h PHE 116 N 0.00 0.87 0.40 -1.84 3.57 -1.93 -3.16 116.94 114.85 2dkw h PHE 116 Ca -0.50 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 60.67 2dkw h PHE 116 Cb 1.91 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.48 2dkw h PHE 116 CO 0.02 1.08 -0.19 -0.97 -2.23 0.00 0.00 178.31 176.02 2dkw h ASN 117 N 0.54 -0.46 -1.12 0.41 -1.24 -1.67 -2.60 115.58 109.44 2dkw h ASN 117 Ca 0.01 -0.06 0.32 0.00 0.71 0.00 0.00 56.30 57.28 2dkw h ASN 117 Cb 1.11 0.12 -0.06 0.00 0.73 0.00 0.00 38.32 40.22 2dkw h ASN 117 CO 0.11 -0.22 0.78 0.11 -1.29 0.00 0.00 177.43 176.92 2dkw h LYS 118 N -0.68 0.11 -0.21 6.67 1.57 -1.71 0.25 116.57 122.56 2dkw h LYS 118 Ca -0.05 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2dkw h LYS 118 Cb 0.49 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2dkw h LYS 118 CO 0.09 0.07 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.80 2dkw h LEU 119 N 0.11 0.52 0.48 2.94 3.38 -1.44 -2.28 115.31 119.03 2dkw h LEU 119 Ca 0.56 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2dkw h LEU 119 Cb 2.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.61 2dkw h LEU 119 CO -0.10 0.87 -0.23 0.00 0.09 0.00 0.00 178.44 179.07 2dkw h GLU 121 N -0.92 0.22 -0.96 0.00 4.11 -1.25 -0.18 114.58 115.59 2dkw h GLU 121 Ca -0.07 -0.01 0.29 0.00 0.07 0.00 0.00 59.36 59.64 2dkw h GLU 121 Cb 0.49 -0.05 -0.17 0.00 0.50 0.00 0.00 28.75 29.52 2dkw h GLU 121 CO 0.11 0.14 0.18 1.49 0.07 0.00 0.00 179.01 181.00 2dkw h GLU 122 N 0.22 0.06 -0.25 1.06 4.57 -1.36 1.25 114.58 120.13 2dkw h GLU 122 Ca 0.63 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.70 2dkw h GLU 122 Cb 1.94 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.50 2dkw h GLU 122 CO -0.23 0.04 -0.29 0.82 -1.18 0.00 0.00 179.01 178.17 2dkw h ILE 123 N 0.06 1.28 -0.59 2.32 2.04 -1.16 0.38 117.51 121.83 2dkw h ILE 123 Ca 0.64 -1.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 2dkw h ILE 123 Cb 1.40 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 2dkw h ILE 123 CO -0.82 0.43 -0.04 0.50 0.00 0.00 0.00 178.15 178.22 2dkw h LYS 124 N 0.44 1.07 0.00 2.37 3.64 0.14 -3.36 116.57 120.87 2dkw h LYS 124 Ca 0.06 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2dkw h LYS 124 Cb 0.74 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2dkw h LYS 124 CO 0.06 1.06 -0.10 1.49 -2.27 0.00 0.00 179.45 179.69 2dkw h GLU 125 N 0.97 0.00 -1.21 1.90 4.81 -0.81 -3.49 114.58 116.75 2dkw h GLU 125 Ca 0.16 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.51 2dkw h GLU 125 Cb 0.60 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.77 2dkw h GLU 125 CO 0.04 0.00 -0.13 0.45 -0.73 0.00 0.00 179.01 178.63 2dkw s SER 126 N -4.25 -1.13 0.00 1.04 0.15 0.13 -5.07 113.70 104.57 2dkw s SER 126 Ca -0.03 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2dkw s SER 126 Cb 0.00 2.07 0.00 0.00 -1.71 0.00 0.00 66.02 66.38 2dkw s SER 126 CO 0.04 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dkw n GLY 127 N 5.40 -0.48 0.14 9.45 0.00 -1.13 -4.54 105.19 114.02 2dkw n GLY 127 Ca -0.06 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.36 -0.45 1.61 0.13 -1.88 -3.29 132.00 128.48 2dkw h PRO 128 Ca 0.00 -0.19 0.08 0.00 -0.87 0.00 0.00 66.00 65.01 2dkw h PRO 128 Cb 0.00 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2dkw h PRO 128 CO 0.00 0.75 -0.41 0.77 -0.23 0.00 0.00 178.00 178.88 2dkw h SER 129 N -0.01 -1.38 -0.82 1.44 0.02 -1.94 -3.42 113.55 107.45 2dkw h SER 129 Ca 0.02 0.22 -0.52 0.00 -0.84 0.00 0.00 61.79 60.67 2dkw h SER 129 Cb 0.68 0.62 0.09 0.00 0.14 0.00 0.00 62.40 63.93 2dkw h SER 129 CO 0.04 -0.35 -0.44 -0.24 -1.14 0.00 0.00 176.83 174.70 2dkw n SER 130 N -5.41 -1.07 0.00 3.07 2.88 -1.24 -5.22 113.62 106.63 2dkw n SER 130 Ca 0.00 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 2dkw n SER 130 Cb 0.35 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2dkw n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42