#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 7.04 0.11 1.61 0.15 -1.26 -4.95 113.70 116.40 2dkw s SER 2 Ca 0.00 2.04 -0.31 0.00 0.70 0.00 0.00 55.95 58.39 2dkw s SER 2 Cb 0.00 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.62 2dkw s SER 2 CO 0.00 -0.50 1.60 0.77 1.20 0.00 0.00 173.24 176.31 2dkw h SER 3 N 6.87 -1.08 -1.73 5.45 4.64 -2.12 -3.49 113.55 122.10 2dkw h SER 3 Ca -0.41 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2dkw h SER 3 Cb 1.21 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2dkw h SER 3 CO 0.82 -0.48 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 2dkw n GLY 4 N -1.46 -1.21 3.70 -0.77 0.00 -1.26 -5.06 105.19 99.13 2dkw n GLY 4 Ca -0.08 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2dkw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkw s SER 5 N -0.14 2.38 -0.38 1.61 0.01 -1.26 -4.93 113.70 110.99 2dkw s SER 5 Ca 0.00 0.89 -0.00 0.00 1.31 0.00 0.00 55.95 58.15 2dkw s SER 5 Cb 0.00 -1.37 0.31 0.00 0.21 0.00 0.00 66.02 65.17 2dkw s SER 5 CO 0.00 -3.25 1.91 -1.54 0.41 0.00 0.00 173.24 170.77 2dkw n SER 6 N -4.21 5.98 0.02 2.44 3.41 -1.26 -4.32 113.62 115.68 2dkw n SER 6 Ca 0.08 -3.18 -0.02 0.00 -0.26 0.00 0.00 58.87 55.49 2dkw n SER 6 Cb 0.59 -0.96 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 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 -0.10 -0.13 0.13 5.00 0.00 -1.26 -4.70 105.19 104.13 2dkw n GLY 7 Ca 0.38 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.19 -0.24 -0.94 1.61 2.35 -1.99 -2.77 115.58 113.41 2dkw h ASN 8 Ca -0.00 0.03 0.17 0.00 -0.55 0.00 0.00 56.30 55.96 2dkw h ASN 8 Cb 0.20 0.10 -0.17 0.00 0.05 0.00 0.00 38.32 38.50 2dkw h ASN 8 CO -0.00 -0.13 -0.28 0.41 -1.65 0.00 0.00 177.43 175.78 2dkw n THR 9 N -5.21 -0.43 0.40 2.81 -1.04 -1.26 -0.63 114.28 108.93 2dkw n THR 9 Ca -0.06 2.17 -0.19 0.00 -2.04 0.00 0.00 64.05 63.93 2dkw n THR 9 Cb 0.13 -2.96 -0.09 0.00 -1.82 0.00 0.00 70.33 65.59 2dkw n THR 9 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2dkw h LEU 10 N 0.00 -0.93 -0.80 -4.42 -0.00 -1.77 -2.74 115.31 104.65 2dkw h LEU 10 Ca 0.41 0.04 0.26 0.00 -0.00 0.00 0.00 57.88 58.59 2dkw h LEU 10 Cb 0.65 0.25 -0.15 0.00 -0.00 0.00 0.00 40.66 41.41 2dkw h LEU 10 CO -0.96 -0.63 0.15 -1.14 -0.00 0.00 0.00 178.44 175.86 2dkw n ARG 11 N -5.54 -0.06 0.27 1.13 0.00 0.20 0.58 116.66 113.24 2dkw n ARG 11 Ca -0.14 1.16 -0.16 0.00 -0.00 0.00 0.00 57.85 58.72 2dkw n ARG 11 Cb 0.42 -1.93 -0.08 0.00 0.00 0.00 0.00 32.46 30.87 2dkw n ARG 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dkw h GLU 12 N 0.00 -0.65 0.04 -0.14 5.08 -1.14 -2.83 114.58 114.94 2dkw h GLU 12 Ca 0.55 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.97 2dkw h GLU 12 Cb 1.26 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 2dkw h GLU 12 CO -0.71 -0.38 -0.14 1.25 -1.00 0.00 0.00 179.01 178.04 2dkw h LEU 13 N -0.81 -0.39 -0.88 1.33 5.85 0.33 0.59 115.31 121.33 2dkw h LEU 13 Ca -0.07 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.81 2dkw h LEU 13 Cb 0.58 0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.63 2dkw h LEU 13 CO 0.11 -0.20 -0.49 -0.09 -0.34 0.00 0.00 178.44 177.44 2dkw h ARG 14 N -0.25 -0.07 -0.55 1.25 2.43 -0.56 0.18 114.38 116.81 2dkw h ARG 14 Ca 0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 2dkw h ARG 14 Cb 0.29 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2dkw h ARG 14 CO -0.10 -0.05 0.01 -0.07 -1.51 0.00 0.00 179.97 178.25 2dkw h LEU 15 N -0.07 0.94 -0.00 3.80 3.38 -1.29 -2.77 115.31 119.29 2dkw h LEU 15 Ca 0.22 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2dkw h LEU 15 Cb 0.52 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dkw h LEU 15 CO -0.88 1.01 -0.02 0.15 0.09 0.00 0.00 178.44 178.78 2dkw h PHE 16 N 0.84 -0.07 -0.03 1.13 3.57 0.17 0.41 116.94 122.96 2dkw h PHE 16 Ca 0.16 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2dkw h PHE 16 Cb 0.53 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2dkw h PHE 16 CO 0.04 -0.03 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.73 2dkw h LEU 17 N -0.03 -0.93 -0.90 0.59 3.38 -1.16 -1.32 115.31 114.94 2dkw h LEU 17 Ca 0.00 0.11 0.26 0.00 0.09 0.00 0.00 57.88 58.33 2dkw h LEU 17 Cb 0.03 0.36 -0.17 0.00 0.09 0.00 0.00 40.66 40.97 2dkw h LEU 17 CO -0.02 -0.28 0.05 -1.14 0.09 0.00 0.00 178.44 177.14 2dkw n ARG 18 N -4.13 -0.07 0.14 1.13 0.63 -1.04 0.61 116.66 113.93 2dkw n ARG 18 Ca -0.04 1.35 -0.14 0.00 -0.92 0.00 0.00 57.85 58.10 2dkw n ARG 18 Cb 0.21 -2.16 -0.07 0.00 0.45 0.00 0.00 32.46 30.89 2dkw n ARG 18 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2dkw h ASP 19 N 0.00 -0.27 0.39 6.15 3.58 0.17 -0.65 116.42 125.79 2dkw h ASP 19 Ca 0.56 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 58.01 2dkw h ASP 19 Cb 1.19 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2dkw h ASP 19 CO -0.84 -0.18 -0.19 0.58 -2.88 0.00 0.00 179.24 175.73 2dkw h VAL 20 N -0.29 0.00 -0.87 2.25 2.07 0.11 -0.54 116.25 118.97 2dkw h VAL 20 Ca -0.02 -0.01 0.21 0.00 0.82 0.00 0.00 66.70 67.69 2dkw h VAL 20 Cb 0.23 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.85 2dkw h VAL 20 CO 0.03 0.00 -0.04 0.74 0.02 0.00 0.00 177.57 178.32 2dkw h THR 21 N -0.54 0.17 -0.44 2.57 2.02 -0.95 0.32 112.91 116.07 2dkw h THR 21 Ca -0.05 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2dkw h THR 21 Cb 0.40 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2dkw h THR 21 CO 0.09 0.01 0.29 0.50 0.37 0.00 0.00 175.52 176.77 2dkw h LYS 22 N 0.05 0.58 -0.20 6.66 3.64 -1.05 0.34 116.57 126.59 2dkw h LYS 22 Ca 0.48 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.88 2dkw h LYS 22 Cb 0.88 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2dkw h LYS 22 CO -0.81 0.39 0.36 -0.09 -2.27 0.00 0.00 179.45 177.02 2dkw h ARG 23 N 0.59 0.00 0.05 1.90 2.43 0.13 0.18 114.38 119.67 2dkw h ARG 23 Ca 0.16 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.97 2dkw h ARG 23 Cb -0.06 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2dkw h ARG 23 CO -0.03 0.00 -2.09 1.28 -1.51 0.00 0.00 179.97 177.61 2dkw n LEU 24 N -3.35 2.54 -0.18 3.80 4.77 -0.54 -4.12 117.00 119.91 2dkw n LEU 24 Ca 0.02 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2dkw n LEU 24 Cb 0.47 -1.00 0.19 0.00 -2.33 0.00 0.00 43.42 40.75 2dkw n LEU 24 CO 0.21 0.76 1.08 0.00 -1.33 0.00 0.00 177.39 178.11 2dkw h ALA 25 N -0.16 1.27 0.00 -1.18 0.00 0.18 -1.87 119.26 117.50 2dkw h ALA 25 Ca -0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 2dkw h ALA 25 Cb 1.84 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2dkw h ALA 25 CO -0.07 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.65 2dkw h THR 26 N 0.93 0.59 -3.36 0.00 1.03 -0.88 -3.39 112.91 107.83 2dkw h THR 26 Ca 0.22 -0.35 -0.57 0.00 -0.01 0.00 0.00 66.41 65.70 2dkw h THR 26 Cb 0.15 1.22 -0.07 0.00 -1.07 0.00 0.00 68.15 68.38 2dkw h THR 26 CO -0.02 0.08 0.15 -0.62 -0.01 0.00 0.00 175.52 175.09 2dkw s ASP 27 N -6.22 6.91 0.32 0.00 -1.08 -0.70 -4.92 116.67 110.97 2dkw s ASP 27 Ca -0.04 1.10 0.21 0.00 -0.52 0.00 0.00 52.55 53.31 2dkw s ASP 27 Cb 0.14 -2.40 1.14 0.00 -1.46 0.00 0.00 42.92 40.34 2dkw s ASP 27 CO 0.58 -0.20 1.64 0.29 0.52 0.00 0.00 175.17 178.00 2dkw n LYS 28 N 4.31 0.14 -0.00 4.34 4.01 -1.26 -1.27 118.16 128.43 2dkw n LYS 28 Ca -0.00 0.63 -0.08 0.00 -0.51 0.00 0.00 58.31 58.35 2dkw n LYS 28 Cb 0.50 -1.96 0.10 0.00 -0.51 0.00 0.00 35.03 33.16 2dkw n LYS 28 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dkw h ARG 29 N 0.00 0.55 0.00 1.97 -0.00 -1.91 -3.24 114.38 111.74 2dkw h ARG 29 Ca 0.00 -0.30 -0.02 0.00 -0.50 0.00 0.00 59.98 59.17 2dkw h ARG 29 Cb 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 29.98 2dkw h ARG 29 CO 0.00 0.89 -0.41 1.19 0.00 0.00 0.00 179.97 181.63 2dkw n PHE 30 N -4.01 0.00 0.04 3.04 3.72 -0.39 -4.65 117.46 115.20 2dkw n PHE 30 Ca -0.02 -1.23 0.07 0.00 -0.05 0.00 0.00 57.45 56.22 2dkw n PHE 30 Cb 0.54 -0.21 -0.08 0.00 -0.94 0.00 0.00 39.48 38.79 2dkw n PHE 30 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2dkw n ASN 31 N -1.03 0.55 0.15 4.37 6.94 -0.54 -4.10 115.26 121.60 2dkw n ASN 31 Ca 0.16 0.22 0.05 0.00 -0.02 0.00 0.00 54.58 54.99 2dkw n ASN 31 Cb 0.72 0.86 0.49 0.00 -2.36 0.00 0.00 39.78 39.48 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 2dkw h ILE 32 N 0.00 1.11 0.00 1.53 3.07 -1.83 -1.41 117.51 119.98 2dkw h ILE 32 Ca -0.08 -0.42 -0.02 0.00 1.55 0.00 0.00 64.86 65.89 2dkw h ILE 32 Cb 1.25 1.03 -0.00 0.00 -0.27 0.00 0.00 36.82 38.82 2dkw h ILE 32 CO 0.01 0.14 -0.22 -0.26 -1.05 0.00 0.00 178.15 176.77 2dkw h PHE 33 N 0.19 0.00 -0.23 0.16 0.04 -1.92 -3.26 116.94 111.92 2dkw h PHE 33 Ca 0.05 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.85 2dkw h PHE 33 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2dkw h PHE 33 CO 0.00 0.08 0.16 0.66 -0.60 0.00 0.00 178.31 178.61 2dkw h SER 34 N 0.00 0.14 -2.45 2.17 4.64 -1.40 -3.29 113.55 113.36 2dkw h SER 34 Ca -0.00 -0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 2dkw h SER 34 Cb 1.07 -0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 62.99 2dkw h SER 34 CO 0.01 0.10 -0.74 -0.54 -0.87 0.00 0.00 176.83 174.79 2dkw s LYS 35 N -5.19 1.82 -0.52 4.77 1.02 -1.23 -3.49 119.74 116.92 2dkw s LYS 35 Ca -0.06 -1.60 -0.27 0.00 0.02 0.00 0.00 55.97 54.05 2dkw s LYS 35 Cb 0.18 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 2dkw s LYS 35 CO 0.70 0.36 1.81 -1.25 -0.92 0.00 0.00 175.35 176.05 2dkw s PRO 36 N -3.34 2.88 0.25 -1.68 0.04 -1.26 -4.83 135.00 127.06 2dkw s PRO 36 Ca 0.28 0.84 0.23 0.00 0.04 0.00 0.00 61.00 62.40 2dkw s PRO 36 Cb -0.06 -4.31 0.97 0.00 0.04 0.00 0.00 34.50 31.14 2dkw s PRO 36 CO 0.15 -2.42 1.70 1.33 0.04 0.00 0.00 177.00 177.80 2dkw n VAL 37 N 7.25 0.84 -0.93 -0.36 0.24 -1.26 -4.78 118.33 119.33 2dkw n VAL 37 Ca 0.21 0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 62.46 2dkw n VAL 37 Cb 0.50 -1.17 0.23 0.00 -1.47 0.00 0.00 33.84 31.94 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 -4.18 1.12 0.00 -1.34 0.01 -1.26 -5.05 113.70 103.00 2dkw s SER 38 Ca 0.04 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2dkw s SER 38 Cb 0.09 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.90 2dkw s SER 38 CO 0.38 -4.03 0.00 0.47 0.41 0.00 0.00 173.24 170.47 2dkw n ASP 39 N -4.74 0.00 -4.39 2.44 8.00 -1.26 -4.99 116.55 111.60 2dkw n ASP 39 Ca 0.09 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.15 2dkw n ASP 39 Cb 0.58 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 2dkw n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dkw n TYR 40 N -2.21 -0.90 -1.32 1.24 4.19 -1.26 -4.39 117.16 112.52 2dkw n TYR 40 Ca 0.00 0.73 -0.22 0.00 3.31 0.00 0.00 57.90 61.72 2dkw n TYR 40 Cb 0.00 -1.93 -0.19 0.00 0.49 0.00 0.00 39.34 37.71 2dkw n TYR 40 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 2dkw n LEU 41 N 1.86 -1.02 -2.91 2.98 0.00 -1.26 -1.45 117.00 115.21 2dkw n LEU 41 Ca 0.13 -0.37 -0.20 0.00 0.00 0.00 0.00 56.01 55.58 2dkw n LEU 41 Cb 0.34 -0.53 -0.04 0.00 0.00 0.00 0.00 43.42 43.20 2dkw n LEU 41 CO 0.56 -1.15 -0.07 -0.62 0.00 0.00 0.00 177.39 176.10 2dkw n GLU 42 N 5.30 -1.03 -0.30 1.96 -0.58 -1.26 -4.63 120.64 120.10 2dkw n GLU 42 Ca 0.59 0.06 0.29 0.00 -0.42 0.00 0.00 57.16 57.69 2dkw n GLU 42 Cb 0.11 -2.52 0.52 0.00 -0.57 0.00 0.00 31.44 28.98 2dkw n GLU 42 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2dkw n VAL 43 N -2.26 -0.34 -1.37 2.62 3.14 -0.53 -4.53 118.33 115.07 2dkw n VAL 43 Ca 0.05 1.72 -0.42 0.00 -2.96 0.00 0.00 64.34 62.74 2dkw n VAL 43 Cb 0.25 -2.80 0.00 0.00 -1.06 0.00 0.00 33.84 30.22 2dkw n VAL 43 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2dkw n ILE 44 N -4.86 1.17 -0.02 1.55 -0.00 -1.26 -4.92 119.36 111.02 2dkw n ILE 44 Ca 0.33 -0.50 -0.20 0.00 -0.00 0.00 0.00 62.75 62.38 2dkw n ILE 44 Cb 1.16 -0.22 -0.13 0.00 -0.00 0.00 0.00 39.64 40.44 2dkw n ILE 44 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2dkw h LYS 45 N 0.53 0.17 -3.17 0.38 1.79 -2.00 -3.41 116.57 110.87 2dkw h LYS 45 Ca -0.38 -0.29 -0.65 0.00 -2.18 0.00 0.00 60.65 57.15 2dkw h LYS 45 Cb 1.43 0.11 -0.40 0.00 -1.58 0.00 0.00 32.23 31.79 2dkw h LYS 45 CO 0.49 1.14 -0.42 -1.83 -1.08 0.00 0.00 179.45 177.75 2dkw s GLU 46 N -2.41 2.72 0.22 3.15 1.03 -1.26 -5.08 118.70 117.07 2dkw s GLU 46 Ca -0.20 -3.32 -0.30 0.00 0.03 0.00 0.00 54.97 51.18 2dkw s GLU 46 Cb 0.03 -3.60 -0.09 0.00 -0.80 0.00 0.00 34.13 29.67 2dkw s GLU 46 CO 0.73 -1.28 1.29 -1.25 -1.33 0.00 0.00 175.26 173.43 2dkw s PRO 47 N -1.41 4.40 -0.25 -4.83 0.04 -1.26 -4.95 135.00 126.75 2dkw s PRO 47 Ca 0.26 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 2dkw s PRO 47 Cb -0.06 -3.18 0.10 0.00 0.04 0.00 0.00 34.50 31.40 2dkw s PRO 47 CO -0.15 -0.21 0.57 1.41 0.04 0.00 0.00 177.00 178.65 2dkw s MET 48 N -0.36 0.51 0.12 4.56 1.75 -1.26 -5.11 119.30 119.52 2dkw s MET 48 Ca 0.55 1.22 -0.03 0.00 -1.25 0.00 0.00 55.69 56.17 2dkw s MET 48 Cb -0.36 0.47 -0.03 0.00 2.84 0.00 0.00 34.83 37.75 2dkw s MET 48 CO 0.40 -0.20 0.10 0.16 -0.65 0.00 0.00 175.02 174.83 2dkw s ASP 49 N 2.38 0.26 0.62 1.11 1.47 -1.26 -4.55 116.67 116.70 2dkw s ASP 49 Ca -0.06 -1.08 0.34 0.00 1.18 0.00 0.00 52.55 52.94 2dkw s ASP 49 Cb -0.10 0.32 1.99 0.00 -0.34 0.00 0.00 42.92 44.79 2dkw s ASP 49 CO -0.17 -0.75 2.26 -0.07 0.68 0.00 0.00 175.17 177.13 2dkw h LEU 50 N 2.83 0.00 0.87 2.11 3.38 -1.72 -2.74 115.31 120.03 2dkw h LEU 50 Ca -0.34 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2dkw h LEU 50 Cb 1.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 2dkw h LEU 50 CO 0.57 0.00 -0.42 -1.28 0.09 0.00 0.00 178.44 177.40 2dkw h SER 51 N 0.00 -0.99 -0.04 -0.43 0.87 -1.86 -1.05 113.55 110.06 2dkw h SER 51 Ca 0.01 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2dkw h SER 51 Cb 0.09 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2dkw h SER 51 CO -0.00 -0.65 0.03 0.00 -0.53 0.00 0.00 176.83 175.68 2dkw h THR 52 N -1.28 0.79 0.26 2.23 1.03 -1.80 -2.60 112.91 111.55 2dkw h THR 52 Ca -0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.27 2dkw h THR 52 Cb 0.90 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 2dkw h THR 52 CO 0.20 0.00 -0.13 0.58 -0.01 0.00 0.00 175.52 176.16 2dkw h VAL 53 N 0.00 0.74 -0.97 0.00 2.07 -1.27 0.43 116.25 117.25 2dkw h VAL 53 Ca 0.02 -0.73 0.14 0.00 0.82 0.00 0.00 66.70 66.95 2dkw h VAL 53 Cb 0.08 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 2dkw h VAL 53 CO -0.00 0.14 0.59 0.40 0.02 0.00 0.00 177.57 178.72 2dkw h ILE 54 N -0.77 0.84 0.34 4.57 2.04 -0.86 -2.23 117.51 121.44 2dkw h ILE 54 Ca -0.04 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2dkw h ILE 54 Cb 0.50 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2dkw h ILE 54 CO 0.06 0.16 -0.16 0.74 0.00 0.00 0.00 178.15 178.95 2dkw h THR 55 N 0.88 0.31 -0.98 -0.27 2.02 -1.47 -3.25 112.91 110.16 2dkw h THR 55 Ca 0.51 -0.75 0.36 0.00 0.77 0.00 0.00 66.41 67.30 2dkw h THR 55 Cb 0.61 0.51 -0.18 0.00 -1.74 0.00 0.00 68.15 67.35 2dkw h THR 55 CO -0.31 0.08 0.33 0.29 0.37 0.00 0.00 175.52 176.28 2dkw n LYS 56 N -5.08 -0.07 -0.10 6.66 5.02 0.14 0.10 118.16 124.82 2dkw n LYS 56 Ca -0.07 1.39 -0.06 0.00 -2.02 0.00 0.00 58.31 57.55 2dkw n LYS 56 Cb 0.24 -2.39 0.01 0.00 -0.02 0.00 0.00 35.03 32.88 2dkw n LYS 56 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2dkw h ILE 57 N 0.00 0.91 0.00 -0.18 2.04 -1.45 0.41 117.51 119.24 2dkw h ILE 57 Ca 0.74 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.50 2dkw h ILE 57 Cb 1.82 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2dkw h ILE 57 CO -0.82 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 176.71 2dkw n ASP 58 N -5.01 0.00 -0.92 1.72 2.03 0.28 -2.60 116.55 112.05 2dkw n ASP 58 Ca 0.01 -0.66 0.09 0.00 0.52 0.00 0.00 54.79 54.75 2dkw n ASP 58 Cb 0.12 -0.08 0.20 0.00 -0.72 0.00 0.00 41.12 40.64 2dkw n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dkw n LYS 59 N -1.08 2.45 -3.29 -0.67 4.76 0.05 -4.97 118.16 115.41 2dkw n LYS 59 Ca 0.19 -2.15 -0.16 0.00 -2.87 0.00 0.00 58.31 53.31 2dkw n LYS 59 Cb 0.13 -1.40 0.08 0.00 -1.84 0.00 0.00 35.03 32.00 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 1.06 -2.04 -0.12 2.13 8.25 -0.93 -4.95 115.22 118.62 2dkw n HIS 60 Ca 0.16 0.83 -0.20 0.00 -0.26 0.00 0.00 57.72 58.24 2dkw n HIS 60 Cb 0.50 -4.62 -0.10 0.00 1.12 0.00 0.00 29.99 26.89 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 -2.72 2.02 -4.50 0.41 3.02 -0.68 -4.88 115.26 107.93 2dkw n ASN 61 Ca -0.19 0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 53.97 2dkw n ASN 61 Cb 0.62 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 2dkw n ASN 61 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dkw s TYR 62 N -2.47 3.09 -0.38 3.10 2.02 -1.26 -4.87 117.35 116.57 2dkw s TYR 62 Ca -0.33 -0.21 0.19 0.00 -0.37 0.00 0.00 57.07 56.35 2dkw s TYR 62 Cb 0.10 -3.27 -0.26 0.00 -0.40 0.00 0.00 41.96 38.14 2dkw s TYR 62 CO 0.51 -0.86 0.57 1.47 -1.57 0.00 0.00 175.55 175.67 2dkw n LEU 63 N 6.10 0.36 -4.14 -1.29 -0.00 -1.26 -4.78 117.00 111.99 2dkw n LEU 63 Ca -0.04 -0.21 -0.23 0.00 -0.00 0.00 0.00 56.01 55.53 2dkw n LEU 63 Cb 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.74 2dkw n LEU 63 CO 0.52 0.09 -0.49 0.42 -0.00 0.00 0.00 177.39 177.93 2dkw s THR 64 N -3.09 1.26 0.49 1.47 -4.23 -1.26 -4.56 115.64 105.72 2dkw s THR 64 Ca -0.01 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.91 2dkw s THR 64 Cb 0.13 -1.05 0.27 0.00 1.34 0.00 0.00 72.50 73.19 2dkw s THR 64 CO 0.78 0.32 2.12 0.00 -0.54 0.00 0.00 174.62 177.30 2dkw h ALA 65 N 5.65 1.93 -0.17 3.99 0.00 -1.92 -1.84 119.26 126.91 2dkw h ALA 65 Ca -0.36 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 2dkw h ALA 65 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dkw h ALA 65 CO 0.48 0.05 -0.69 -0.22 0.00 0.00 0.00 179.25 178.87 2dkw h LYS 66 N 0.17 0.69 0.00 0.00 3.64 -1.95 -2.53 116.57 116.59 2dkw h LYS 66 Ca 0.06 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2dkw h LYS 66 Cb 0.02 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2dkw h LYS 66 CO -0.01 1.14 0.00 -0.25 -2.27 0.00 0.00 179.45 178.06 2dkw n ASP 67 N -3.93 0.24 -0.09 4.20 9.92 -0.73 -2.49 116.55 123.68 2dkw n ASP 67 Ca -0.06 0.56 -0.13 0.00 -0.53 0.00 0.00 54.79 54.63 2dkw n ASP 67 Cb 0.70 -0.61 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 2dkw n ASP 67 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2dkw n PHE 68 N -1.76 0.82 -0.34 1.24 7.35 -1.01 -4.24 117.46 119.53 2dkw n PHE 68 Ca 0.03 0.36 0.10 0.00 -0.76 0.00 0.00 57.45 57.17 2dkw n PHE 68 Cb 0.19 -0.88 0.29 0.00 0.35 0.00 0.00 39.48 39.43 2dkw n PHE 68 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dkw h LEU 69 N -1.00 0.84 -0.81 -2.13 3.38 -1.46 -1.06 115.31 113.06 2dkw h LEU 69 Ca -0.17 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.03 2dkw h LEU 69 Cb 0.91 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 2dkw h LEU 69 CO -0.11 0.41 0.30 0.07 0.09 0.00 0.00 178.44 179.20 2dkw h LYS 70 N 0.88 0.37 -0.05 1.13 2.10 -1.68 0.42 116.57 119.73 2dkw h LYS 70 Ca 0.51 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 59.08 2dkw h LYS 70 Cb 0.64 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 2dkw h LYS 70 CO -0.28 0.24 -0.24 -0.44 -2.00 0.00 0.00 179.45 176.73 2dkw h ASP 71 N 0.38 0.08 0.28 7.07 5.19 -1.37 -2.47 116.42 125.58 2dkw h ASP 71 Ca 0.47 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.73 2dkw h ASP 71 Cb 0.81 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 2dkw h ASP 71 CO -0.48 0.33 -0.50 0.40 -3.12 0.00 0.00 179.24 175.86 2dkw h ILE 72 N 0.08 1.35 0.00 0.35 1.08 -0.11 -2.70 117.51 117.55 2dkw h ILE 72 Ca 0.01 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 2dkw h ILE 72 Cb 0.48 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 2dkw h ILE 72 CO 0.03 0.52 0.00 -0.78 -0.69 0.00 0.00 178.15 177.23 2dkw h ASP 73 N 0.21 0.00 1.11 1.72 1.82 -0.80 -2.73 116.42 117.75 2dkw h ASP 73 Ca 0.01 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.47 2dkw h ASP 73 Cb 0.96 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.94 2dkw h ASP 73 CO 0.08 0.00 -0.91 0.25 -1.61 0.00 0.00 179.24 177.05 2dkw h LEU 74 N 0.00 0.00 -1.35 2.28 5.85 -1.38 -3.27 115.31 117.44 2dkw h LEU 74 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2dkw h LEU 74 Cb 0.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2dkw h LEU 74 CO 0.00 0.82 -0.16 0.40 -0.34 0.00 0.00 178.44 179.17 2dkw h ILE 75 N 0.00 1.19 0.00 4.05 2.04 -1.41 -2.20 117.51 121.18 2dkw h ILE 75 Ca -0.03 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 64.86 2dkw h ILE 75 Cb 1.65 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 2dkw h ILE 75 CO 0.10 0.27 -0.51 0.00 0.00 0.00 0.00 178.15 178.01 2dkw h SER 77 N 0.00 -0.27 0.11 0.00 0.87 -1.45 -2.55 113.55 110.26 2dkw h SER 77 Ca -0.01 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2dkw h SER 77 Cb 1.18 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2dkw h SER 77 CO 0.07 -0.14 -0.06 -0.55 -0.53 0.00 0.00 176.83 175.61 2dkw h ASN 78 N -0.41 0.00 0.83 6.23 7.08 -1.66 0.79 115.58 128.43 2dkw h ASN 78 Ca -0.03 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 2dkw h ASN 78 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 2dkw h ASN 78 CO 0.05 0.06 0.00 0.00 -2.08 0.00 0.00 177.43 175.47 2dkw h ALA 79 N 1.94 1.00 -1.42 4.14 0.00 -1.43 -3.24 119.26 120.25 2dkw h ALA 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dkw h ALA 79 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dkw h ALA 79 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2dkw n LEU 80 N -2.37 0.00 -0.04 0.00 4.77 -0.14 -4.35 117.00 114.87 2dkw n LEU 80 Ca 0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2dkw n LEU 80 Cb 0.25 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2dkw n LEU 80 CO 0.22 -0.26 0.38 1.21 -1.33 0.00 0.00 177.39 177.60 2dkw n GLU 81 N -1.85 -0.04 -0.36 3.23 2.13 0.09 0.83 120.64 124.66 2dkw n GLU 81 Ca 0.00 0.81 0.08 0.00 0.66 0.00 0.00 57.16 58.71 2dkw n GLU 81 Cb 0.00 -1.21 0.25 0.00 0.27 0.00 0.00 31.44 30.74 2dkw n GLU 81 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2dkw h TYR 82 N 0.00 1.14 -1.44 4.31 -1.99 -1.72 -3.43 116.97 113.84 2dkw h TYR 82 Ca 0.02 0.03 -0.65 0.00 2.00 0.00 0.00 58.73 60.13 2dkw h TYR 82 Cb 0.04 -0.36 0.11 0.00 2.00 0.00 0.00 36.73 38.52 2dkw h TYR 82 CO -0.72 0.44 -0.35 -1.71 -0.00 0.00 0.00 178.16 175.82 2dkw n ASN 83 N -4.63 -0.55 -4.77 3.88 2.85 0.24 -4.91 115.26 107.39 2dkw n ASN 83 Ca 0.19 1.14 -0.32 0.00 -0.11 0.00 0.00 54.58 55.48 2dkw n ASN 83 Cb 0.37 -1.05 0.08 0.00 1.24 0.00 0.00 39.78 40.42 2dkw n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2dkw s PRO 84 N -1.16 2.44 0.00 1.20 0.04 -1.26 -4.95 135.00 131.31 2dkw s PRO 84 Ca 0.62 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2dkw s PRO 84 Cb -0.86 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 31.77 2dkw s PRO 84 CO 0.57 -1.51 0.26 -3.47 0.04 0.00 0.00 177.00 172.89 2dkw n ASP 85 N -3.13 0.51 -1.78 6.66 -0.08 -1.26 -4.66 116.55 112.80 2dkw n ASP 85 Ca 0.10 -0.76 -0.16 0.00 -1.51 0.00 0.00 54.79 52.46 2dkw n ASP 85 Cb 0.53 0.49 0.08 0.00 2.34 0.00 0.00 41.12 44.56 2dkw n ASP 85 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2dkw n LYS 86 N -0.49 1.79 -3.79 -0.67 3.00 -1.26 -4.86 118.16 111.89 2dkw n LYS 86 Ca 0.00 -1.76 -0.13 0.00 -0.00 0.00 0.00 58.31 56.42 2dkw n LYS 86 Cb 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 35.03 33.24 2dkw n LYS 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2dkw s ASP 87 N -0.27 -0.19 0.04 3.14 -4.77 -1.26 -5.07 116.67 108.29 2dkw s ASP 87 Ca 0.34 0.19 -0.20 0.00 -3.30 0.00 0.00 52.55 49.57 2dkw s ASP 87 Cb 0.28 0.38 -0.14 0.00 -1.09 0.00 0.00 42.92 42.35 2dkw s ASP 87 CO 0.04 -0.32 1.34 1.55 0.70 0.00 0.00 175.17 178.48 2dkw h PRO 88 N 4.52 0.35 -1.43 2.11 0.13 -1.97 -3.18 132.00 132.53 2dkw h PRO 88 Ca -0.29 -0.18 0.46 0.00 -0.87 0.00 0.00 66.00 65.12 2dkw h PRO 88 Cb 1.18 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2dkw h PRO 88 CO 0.38 0.74 0.95 0.78 -0.23 0.00 0.00 178.00 180.61 2dkw h GLY 89 N -0.02 1.07 -0.55 1.56 0.00 -1.99 0.34 103.07 103.48 2dkw h GLY 89 Ca 0.02 -0.09 0.32 0.00 0.00 0.00 0.00 47.33 47.59 2dkw h GLY 89 CO 0.04 -0.34 0.54 -1.80 0.00 0.00 0.00 176.54 174.97 2dkw h ASP 90 N 0.05 0.45 -0.92 0.19 1.82 -1.87 0.34 116.42 116.48 2dkw h ASP 90 Ca 0.84 0.20 0.26 0.00 -0.39 0.00 0.00 57.03 57.94 2dkw h ASP 90 Cb 2.81 0.16 -0.14 0.00 0.68 0.00 0.00 39.33 42.83 2dkw h ASP 90 CO -0.35 -0.16 0.38 0.11 -1.61 0.00 0.00 179.24 177.61 2dkw h LYS 91 N 0.29 0.28 0.00 0.28 1.79 -0.54 0.25 116.57 118.93 2dkw h LYS 91 Ca 0.73 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 2dkw h LYS 91 Cb 1.66 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 2dkw h LYS 91 CO -0.62 0.19 0.00 -0.89 -1.08 0.00 0.00 179.45 177.04 2dkw n ILE 92 N -5.13 0.00 -0.35 1.86 -0.00 0.12 -3.53 119.36 112.33 2dkw n ILE 92 Ca 0.25 0.82 0.04 0.00 -0.00 0.00 0.00 62.75 63.85 2dkw n ILE 92 Cb 0.77 -1.67 0.11 0.00 -0.00 0.00 0.00 39.64 38.85 2dkw n ILE 92 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2dkw n ILE 93 N -1.60 -0.43 -0.35 1.39 5.41 -1.11 0.31 119.36 122.98 2dkw n ILE 93 Ca 0.00 2.21 0.08 0.00 1.00 0.00 0.00 62.75 66.03 2dkw n ILE 93 Cb 0.00 -3.01 0.17 0.00 -0.71 0.00 0.00 39.64 36.08 2dkw n ILE 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2dkw h ARG 94 N 0.00 0.00 0.26 0.38 1.12 -0.62 -0.04 114.38 115.49 2dkw h ARG 94 Ca 0.42 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.28 2dkw h ARG 94 Cb 0.66 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 2dkw h ARG 94 CO -0.98 0.00 -0.13 1.25 -3.11 0.00 0.00 179.97 177.01 2dkw h HIS 95 N 0.00 -0.33 -0.73 2.20 2.76 -0.19 -3.24 115.15 115.62 2dkw h HIS 95 Ca 0.50 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.78 2dkw h HIS 95 Cb 0.83 0.11 -0.12 0.00 1.55 0.00 0.00 27.41 29.77 2dkw h HIS 95 CO -0.70 -0.17 -0.26 0.54 -1.30 0.00 0.00 177.93 176.03 2dkw n ARG 96 N -5.01 -0.15 0.12 5.26 5.12 -0.52 -0.22 116.66 121.25 2dkw n ARG 96 Ca -0.05 1.12 -0.13 0.00 -1.93 0.00 0.00 57.85 56.87 2dkw n ARG 96 Cb 0.16 -1.67 -0.08 0.00 -1.16 0.00 0.00 32.46 29.71 2dkw n ARG 96 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dkw h ALA 97 N 1.10 -0.93 -0.74 7.54 0.00 -1.15 0.94 119.26 126.02 2dkw h ALA 97 Ca 0.27 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.24 2dkw h ALA 97 Cb 0.46 0.76 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2dkw h ALA 97 CO -0.73 -1.02 -0.14 0.00 0.00 0.00 0.00 179.25 177.37 2dkw h THR 99 N 0.02 0.49 -0.42 0.00 2.02 -0.70 -3.01 112.91 111.32 2dkw h THR 99 Ca 0.37 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.58 2dkw h THR 99 Cb 0.58 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2dkw h THR 99 CO -0.73 0.00 -0.25 -0.11 0.37 0.00 0.00 175.52 174.80 2dkw n LEU 100 N -5.37 -0.44 -0.33 2.58 7.94 0.28 -0.38 117.00 121.28 2dkw n LEU 100 Ca -0.10 1.27 -0.09 0.00 -1.11 0.00 0.00 56.01 55.99 2dkw n LEU 100 Cb 0.28 -0.36 -0.05 0.00 0.53 0.00 0.00 43.42 43.81 2dkw n LEU 100 CO 0.32 -0.87 0.53 0.50 -1.11 0.00 0.00 177.39 176.76 2dkw h LYS 101 N 0.00 -0.10 -0.51 1.96 3.64 -1.46 0.18 116.57 120.29 2dkw h LYS 101 Ca 0.07 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.55 2dkw h LYS 101 Cb 0.17 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 2dkw h LYS 101 CO -0.39 -0.07 0.02 0.22 -2.27 0.00 0.00 179.45 176.96 2dkw h ASP 102 N -0.10 -0.18 -0.33 4.20 3.58 -0.89 -1.69 116.42 121.01 2dkw h ASP 102 Ca 0.20 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.84 2dkw h ASP 102 Cb 0.51 0.20 -0.08 0.00 1.72 0.00 0.00 39.33 41.68 2dkw h ASP 102 CO -0.85 -0.06 -0.24 0.74 -2.88 0.00 0.00 179.24 175.95 2dkw h THR 103 N 0.14 0.38 0.12 2.25 2.02 0.22 0.99 112.91 119.03 2dkw h THR 103 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 2dkw h THR 103 Cb 0.39 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2dkw h THR 103 CO -0.41 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.40 2dkw h ALA 104 N 0.94 -0.95 -1.13 6.16 0.00 -0.52 -1.21 119.26 122.55 2dkw h ALA 104 Ca 0.17 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 55.43 2dkw h ALA 104 Cb 0.46 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 2dkw h ALA 104 CO -0.45 -0.94 0.67 0.45 0.00 0.00 0.00 179.25 178.98 2dkw h HIS 105 N -0.19 0.74 0.67 0.00 -0.00 -1.24 0.12 115.15 115.25 2dkw h HIS 105 Ca -0.02 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 2dkw h HIS 105 Cb 0.15 -0.18 0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2dkw h HIS 105 CO 0.07 -0.26 -0.32 0.00 -0.00 0.00 0.00 177.93 177.42 2dkw h ALA 106 N 1.79 -0.90 -0.73 2.45 0.00 -0.49 0.13 119.26 121.51 2dkw h ALA 106 Ca 0.79 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.60 2dkw h ALA 106 Cb 2.17 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 20.23 2dkw h ALA 106 CO -0.57 -0.93 0.33 0.82 0.00 0.00 0.00 179.25 178.90 2dkw h ILE 107 N -1.05 0.77 -0.15 0.00 2.04 0.41 0.21 117.51 119.75 2dkw h ILE 107 Ca -0.09 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2dkw h ILE 107 Cb 0.72 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2dkw h ILE 107 CO 0.15 0.10 0.03 0.40 0.00 0.00 0.00 178.15 178.83 2dkw h ILE 108 N 0.54 1.21 0.00 -0.67 1.08 -1.09 0.19 117.51 118.76 2dkw h ILE 108 Ca 0.37 -0.65 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2dkw h ILE 108 Cb 0.47 1.36 -0.00 0.00 -3.07 0.00 0.00 36.82 35.58 2dkw h ILE 108 CO -0.32 0.20 -0.12 0.00 -0.69 0.00 0.00 178.15 177.22 2dkw h ALA 109 N 0.83 1.39 0.00 1.87 0.00 -0.03 1.11 119.26 124.43 2dkw h ALA 109 Ca 0.05 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2dkw h ALA 109 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2dkw h ALA 109 CO 0.00 0.15 -1.21 0.00 0.00 0.00 0.00 179.25 178.19 2dkw h ALA 110 N 1.88 0.65 0.00 0.00 0.00 -0.26 -3.42 119.26 118.11 2dkw h ALA 110 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2dkw h ALA 110 Cb 0.29 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dkw h ALA 110 CO 0.02 0.96 -0.38 0.39 0.00 0.00 0.00 179.25 180.23 2dkw n GLU 111 N -3.02 0.20 -1.59 0.00 1.02 0.63 -4.95 120.64 112.94 2dkw n GLU 111 Ca -0.07 0.08 -0.64 0.00 -0.02 0.00 0.00 57.16 56.51 2dkw n GLU 111 Cb 0.85 -0.84 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 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 -3.25 1.20 -4.84 -4.62 7.94 0.38 -4.89 117.00 108.92 2dkw n LEU 112 Ca -0.05 1.01 -0.32 0.00 -1.11 0.00 0.00 56.01 55.53 2dkw n LEU 112 Cb 0.20 -0.92 -0.04 0.00 0.53 0.00 0.00 43.42 43.19 2dkw n LEU 112 CO 0.08 -0.78 0.68 -1.81 -1.11 0.00 0.00 177.39 174.45 2dkw s ASP 113 N 4.07 6.62 0.07 1.96 1.01 -1.26 -4.76 116.67 124.37 2dkw s ASP 113 Ca 1.09 1.61 0.17 0.00 0.71 0.00 0.00 52.55 56.12 2dkw s ASP 113 Cb -1.44 -2.52 0.70 0.00 1.01 0.00 0.00 42.92 40.67 2dkw s ASP 113 CO 0.75 -0.59 1.52 -0.81 0.21 0.00 0.00 175.17 176.25 2dkw n PRO 114 N -1.46 0.05 -0.11 8.23 -0.04 -1.26 -1.95 135.00 138.45 2dkw n PRO 114 Ca 0.07 0.30 -0.15 0.00 -0.04 0.00 0.00 63.50 63.68 2dkw n PRO 114 Cb 0.54 -1.60 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.69 0.67 -0.05 0.54 0.28 -1.26 -4.29 120.64 114.84 2dkw n GLU 115 Ca 0.03 0.10 -0.16 0.00 -0.16 0.00 0.00 57.16 56.97 2dkw n GLU 115 Cb 0.18 -1.54 -0.07 0.00 1.43 0.00 0.00 31.44 31.44 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 0.86 -0.88 -1.84 3.04 -1.91 -2.93 116.94 113.27 2dkw h PHE 116 Ca -0.55 -0.34 0.17 0.00 3.98 0.00 0.00 57.97 61.23 2dkw h PHE 116 Cb 2.05 -0.15 -0.07 0.00 2.56 0.00 0.00 35.95 40.34 2dkw h PHE 116 CO 0.02 1.13 0.57 -0.97 -2.02 0.00 0.00 178.31 177.04 2dkw h ASN 117 N 0.34 0.55 1.28 0.41 -1.24 -1.61 0.28 115.58 115.59 2dkw h ASN 117 Ca -0.02 0.04 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 2dkw h ASN 117 Cb 1.14 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 2dkw h ASN 117 CO 0.11 0.26 -0.43 0.11 -1.29 0.00 0.00 177.43 176.19 2dkw h LYS 118 N 0.57 0.00 0.46 6.67 1.57 -1.73 -3.20 116.57 120.91 2dkw h LYS 118 Ca 0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 2dkw h LYS 118 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2dkw h LYS 118 CO -0.20 0.43 -0.22 -0.07 -0.57 0.00 0.00 179.45 178.82 2dkw h LEU 119 N 0.00 -0.52 -0.45 2.94 3.38 -0.29 -2.35 115.31 118.02 2dkw h LEU 119 Ca -0.00 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2dkw h LEU 119 Cb 1.18 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 2dkw h LEU 119 CO 0.06 -0.10 -0.36 0.00 0.09 0.00 0.00 178.44 178.12 2dkw h GLU 121 N -0.26 0.00 -0.90 0.00 4.11 -1.66 -2.28 114.58 113.60 2dkw h GLU 121 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2dkw h GLU 121 Cb 0.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2dkw h GLU 121 CO -0.58 0.00 0.58 1.49 0.07 0.00 0.00 179.01 180.56 2dkw h GLU 122 N 0.00 1.19 -0.49 1.06 4.22 0.10 -2.54 114.58 118.13 2dkw h GLU 122 Ca 0.00 -0.09 -0.08 0.00 0.08 0.00 0.00 59.36 59.27 2dkw h GLU 122 Cb 0.09 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2dkw h GLU 122 CO 0.00 0.81 -0.02 0.82 -2.18 0.00 0.00 179.01 178.44 2dkw h ILE 123 N 1.22 1.26 0.27 2.32 2.04 -1.35 -2.69 117.51 120.59 2dkw h ILE 123 Ca 0.33 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 2dkw h ILE 123 Cb -0.11 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2dkw h ILE 123 CO -0.07 0.39 -0.42 0.50 0.00 0.00 0.00 178.15 178.55 2dkw h LYS 124 N 0.74 -0.70 0.02 2.37 3.64 -1.54 -2.23 116.57 118.87 2dkw h LYS 124 Ca 0.14 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2dkw h LYS 124 Cb 0.54 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 2dkw h LYS 124 CO 0.03 -0.47 -0.51 0.93 -2.27 0.00 0.00 179.45 177.16 2dkw h GLU 125 N -0.73 -0.65 -0.88 1.90 4.39 -1.53 -2.21 114.58 114.87 2dkw h GLU 125 Ca -0.03 0.04 0.14 0.00 0.34 0.00 0.00 59.36 59.86 2dkw h GLU 125 Cb 0.67 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 29.32 2dkw h GLU 125 CO -0.13 -0.43 -0.32 0.45 -1.16 0.00 0.00 179.01 177.41 2dkw n SER 126 N -5.47 -0.53 -2.93 1.42 2.88 -1.01 -4.88 113.62 103.10 2dkw n SER 126 Ca -0.07 1.54 -0.10 0.00 -1.33 0.00 0.00 58.87 58.90 2dkw n SER 126 Cb 0.40 -0.37 0.01 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.44 -1.70 0.20 0.46 0.00 -0.83 -4.87 105.19 97.00 2dkw n GLY 127 Ca 0.10 1.02 0.14 0.00 0.00 0.00 0.00 46.02 47.28 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 2.33 0.00 -0.54 1.61 0.13 -1.82 -3.00 132.00 130.71 2dkw h PRO 128 Ca -0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 2dkw h PRO 128 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 2dkw h PRO 128 CO 0.17 0.00 0.13 0.77 -0.23 0.00 0.00 178.00 178.85 2dkw h SER 129 N 0.00 0.77 -0.89 1.44 0.02 -1.98 -2.46 113.55 110.46 2dkw h SER 129 Ca 0.00 -0.13 -0.53 0.00 -0.84 0.00 0.00 61.79 60.28 2dkw h SER 129 Cb 0.42 -0.20 -0.27 0.00 0.14 0.00 0.00 62.40 62.49 2dkw h SER 129 CO 0.00 0.75 0.68 -1.54 -1.14 0.00 0.00 176.83 175.58 2dkw n SER 130 N -4.28 5.57 0.00 3.07 3.41 -1.13 -5.32 113.62 114.94 2dkw n SER 130 Ca 0.04 -3.53 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 2dkw n SER 130 Cb 0.22 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2dkw n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49