#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw n SER 2 N 0.00 -5.09 -4.38 1.61 7.64 -1.26 -5.00 113.62 107.14 2dkw n SER 2 Ca 0.00 -0.51 -0.33 0.00 1.01 0.00 0.00 58.87 59.05 2dkw n SER 2 Cb 0.00 -4.64 -0.14 0.00 -1.01 0.00 0.00 64.21 58.42 2dkw n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkw s SER 3 N -3.51 3.93 0.00 6.43 1.04 -1.26 -4.62 113.70 115.72 2dkw s SER 3 Ca 0.41 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2dkw s SER 3 Cb -0.18 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.49 2dkw s SER 3 CO 0.66 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.69 2dkw n GLY 4 N 3.30 -2.22 3.73 7.32 0.00 -1.26 -5.17 105.19 110.90 2dkw n GLY 4 Ca -0.18 0.74 -0.26 0.00 0.00 0.00 0.00 46.02 46.32 2dkw n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dkw n SER 5 N -0.51 2.74 -2.29 1.61 3.41 -1.26 -5.01 113.62 112.31 2dkw n SER 5 Ca 0.00 -2.86 -0.23 0.00 -0.26 0.00 0.00 58.87 55.52 2dkw n SER 5 Cb 0.00 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.87 2dkw n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dkw n SER 6 N -1.82 6.31 0.03 4.04 3.41 -1.26 -4.32 113.62 120.01 2dkw n SER 6 Ca -0.02 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 2dkw n SER 6 Cb 0.61 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 0.96 -0.02 0.23 5.00 0.00 -1.26 -4.76 105.19 105.35 2dkw n GLY 7 Ca 0.44 0.00 -0.05 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 -0.60 -0.91 1.61 -0.73 -1.92 -1.24 115.58 111.78 2dkw h ASN 8 Ca 0.00 0.15 0.15 0.00 1.87 0.00 0.00 56.30 58.47 2dkw h ASN 8 Cb 0.00 0.34 -0.15 0.00 0.27 0.00 0.00 38.32 38.77 2dkw h ASN 8 CO 0.00 -0.21 -0.35 0.74 -0.37 0.00 0.00 177.43 177.24 2dkw h THR 9 N -0.10 0.04 -0.41 -3.57 2.02 -1.82 0.24 112.91 109.32 2dkw h THR 9 Ca 0.20 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 2dkw h THR 9 Cb 0.40 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2dkw h THR 9 CO -0.47 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.43 2dkw h LEU 10 N -0.03 0.63 -0.68 2.58 3.38 -1.65 -3.05 115.31 116.49 2dkw h LEU 10 Ca 0.34 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2dkw h LEU 10 Cb 0.60 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.06 2dkw h LEU 10 CO -0.93 0.72 -0.17 -0.09 0.09 0.00 0.00 178.44 178.06 2dkw h ARG 11 N 0.52 -0.00 -0.95 1.13 9.65 0.56 0.27 114.38 125.56 2dkw h ARG 11 Ca 0.12 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 2dkw h ARG 11 Cb 0.35 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.87 2dkw h ARG 11 CO 0.01 -0.00 0.62 0.93 2.80 0.00 0.00 179.97 184.32 2dkw h GLU 12 N -0.00 1.16 0.81 0.20 5.08 -1.15 -2.97 114.58 117.70 2dkw h GLU 12 Ca 0.32 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2dkw h GLU 12 Cb 0.49 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2dkw h GLU 12 CO -0.70 0.77 -0.39 1.25 -1.00 0.00 0.00 179.01 178.94 2dkw h LEU 13 N 1.20 -0.92 -0.82 1.33 5.85 -0.50 -1.30 115.31 120.16 2dkw h LEU 13 Ca 0.38 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.27 2dkw h LEU 13 Cb -0.00 0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.12 2dkw h LEU 13 CO -0.12 -0.56 -0.24 0.54 -0.34 0.00 0.00 178.44 177.72 2dkw n ARG 14 N -5.50 -0.11 -0.02 1.25 1.74 0.12 0.51 116.66 114.66 2dkw n ARG 14 Ca -0.14 1.27 -0.12 0.00 -0.77 0.00 0.00 57.85 58.09 2dkw n ARG 14 Cb 0.43 -1.89 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 2dkw n ARG 14 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dkw h LEU 15 N 0.00 0.11 -0.47 0.55 3.38 -1.49 -1.00 115.31 116.39 2dkw h LEU 15 Ca 0.36 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 58.09 2dkw h LEU 15 Cb 0.56 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 2dkw h LEU 15 CO -0.83 0.41 -0.12 0.15 0.09 0.00 0.00 178.44 178.14 2dkw h PHE 16 N -0.19 -0.27 0.41 1.13 3.57 0.13 0.22 116.94 121.94 2dkw h PHE 16 Ca 0.02 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2dkw h PHE 16 Cb 0.36 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2dkw h PHE 16 CO 0.04 -0.21 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.64 2dkw h LEU 17 N -0.01 -0.47 -0.89 0.59 3.38 -0.60 -2.94 115.31 114.38 2dkw h LEU 17 Ca 0.23 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.40 2dkw h LEU 17 Cb 0.35 0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.06 2dkw h LEU 17 CO -0.49 -0.25 -0.16 -0.09 0.09 0.00 0.00 178.44 177.54 2dkw h ARG 18 N -0.71 0.01 -0.97 1.13 2.43 -1.05 0.90 114.38 116.12 2dkw h ARG 18 Ca -0.06 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.29 2dkw h ARG 18 Cb 0.42 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 2dkw h ARG 18 CO 0.09 0.01 0.61 0.22 -1.51 0.00 0.00 179.97 179.39 2dkw h ASP 19 N 0.01 0.71 0.36 -3.80 3.58 -0.59 0.24 116.42 116.93 2dkw h ASP 19 Ca 0.45 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.96 2dkw h ASP 19 Cb 0.75 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2dkw h ASP 19 CO -0.89 0.28 -0.17 0.58 -2.88 0.00 0.00 179.24 176.16 2dkw h VAL 20 N 0.71 0.00 -0.57 2.25 2.07 0.10 -3.01 116.25 117.80 2dkw h VAL 20 Ca 0.53 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.91 2dkw h VAL 20 Cb 0.90 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 2dkw h VAL 20 CO -0.30 0.00 0.03 0.74 0.02 0.00 0.00 177.57 178.06 2dkw h THR 21 N -0.75 0.56 -0.58 2.57 2.02 -1.10 -1.76 112.91 113.88 2dkw h THR 21 Ca -0.05 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.19 2dkw h THR 21 Cb 0.37 0.40 -0.11 0.00 -1.74 0.00 0.00 68.15 67.08 2dkw h THR 21 CO 0.08 0.03 -0.32 0.50 0.37 0.00 0.00 175.52 176.18 2dkw h LYS 22 N 0.15 -0.15 -0.22 6.66 3.64 -0.62 -0.42 116.57 125.60 2dkw h LYS 22 Ca 0.30 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 2dkw h LYS 22 Cb 0.46 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 2dkw h LYS 22 CO -0.46 -0.10 -0.10 -0.09 -2.27 0.00 0.00 179.45 176.42 2dkw h ARG 23 N -0.15 -0.07 -0.00 1.90 2.43 -1.18 0.29 114.38 117.59 2dkw h ARG 23 Ca 0.24 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2dkw h ARG 23 Cb 0.54 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 2dkw h ARG 23 CO -0.67 -0.05 -0.47 -0.07 -1.51 0.00 0.00 179.97 177.21 2dkw h LEU 24 N -0.08 -1.43 0.49 3.80 3.38 -0.76 0.67 115.31 121.38 2dkw h LEU 24 Ca 0.12 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2dkw h LEU 24 Cb 0.26 0.55 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2dkw h LEU 24 CO -0.27 -0.49 -0.48 0.00 0.09 0.00 0.00 178.44 177.29 2dkw h ALA 25 N -0.19 -1.08 -0.85 1.53 0.00 -0.92 -2.58 119.26 115.17 2dkw h ALA 25 Ca 0.03 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.98 2dkw h ALA 25 Cb 0.69 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 2dkw h ALA 25 CO -0.34 -1.14 0.13 1.79 0.00 0.00 0.00 179.25 179.69 2dkw h THR 26 N -0.97 0.29 -3.33 0.00 1.35 -0.73 -3.35 112.91 106.17 2dkw h THR 26 Ca -0.06 -0.05 -0.53 0.00 -0.55 0.00 0.00 66.41 65.22 2dkw h THR 26 Cb 0.85 0.13 0.08 0.00 -1.73 0.00 0.00 68.15 67.47 2dkw h THR 26 CO -0.06 0.03 0.85 -1.81 -0.25 0.00 0.00 175.52 174.28 2dkw s ASP 27 N -5.12 6.45 0.46 5.36 1.01 0.21 -4.89 116.67 120.15 2dkw s ASP 27 Ca -0.13 2.87 0.13 0.00 0.71 0.00 0.00 52.55 56.14 2dkw s ASP 27 Cb 0.25 -2.63 1.04 0.00 1.01 0.00 0.00 42.92 42.59 2dkw s ASP 27 CO 0.77 -0.86 2.03 0.50 0.21 0.00 0.00 175.17 177.82 2dkw h LYS 28 N 4.93 0.08 -0.51 8.23 1.63 -1.83 -2.41 116.57 126.70 2dkw h LYS 28 Ca -0.47 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.37 2dkw h LYS 28 Cb 1.22 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.79 2dkw h LYS 28 CO 0.79 0.17 0.26 -0.09 -3.45 0.00 0.00 179.45 177.13 2dkw h ARG 29 N 0.08 0.48 -1.70 1.90 2.43 -1.90 -3.02 114.38 112.66 2dkw h ARG 29 Ca 0.02 -0.03 -0.62 0.00 -0.81 0.00 0.00 59.98 58.54 2dkw h ARG 29 Cb 0.20 -0.11 -0.40 0.00 -0.42 0.00 0.00 29.97 29.25 2dkw h ARG 29 CO 0.01 0.32 -0.43 1.19 -1.51 0.00 0.00 179.97 179.55 2dkw n PHE 30 N -4.89 3.43 -0.13 2.20 3.72 -0.98 -4.70 117.46 116.11 2dkw n PHE 30 Ca 0.05 -3.11 -0.18 0.00 -0.05 0.00 0.00 57.45 54.15 2dkw n PHE 30 Cb 0.14 -0.31 -0.12 0.00 -0.94 0.00 0.00 39.48 38.26 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 -0.45 2.02 0.18 4.37 6.94 -0.94 -3.41 115.26 123.97 2dkw n ASN 31 Ca 0.40 -0.11 0.15 0.00 -0.02 0.00 0.00 54.58 55.00 2dkw n ASN 31 Cb 0.56 -0.43 0.53 0.00 -2.36 0.00 0.00 39.78 38.08 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 -0.06 0.08 0.23 1.53 3.07 -1.84 0.62 117.51 121.13 2dkw h ILE 32 Ca -0.58 0.00 -0.34 0.00 1.55 0.00 0.00 64.86 65.49 2dkw h ILE 32 Cb 1.86 0.38 0.03 0.00 -0.27 0.00 0.00 36.82 38.82 2dkw h ILE 32 CO -0.11 0.00 -1.59 -0.26 -1.05 0.00 0.00 178.15 175.14 2dkw h PHE 33 N 0.00 0.87 -1.17 0.16 0.04 -1.94 -3.32 116.94 111.58 2dkw h PHE 33 Ca 0.13 -0.63 0.34 0.00 2.80 0.00 0.00 57.97 60.60 2dkw h PHE 33 Cb 1.49 -0.03 -0.10 0.00 2.20 0.00 0.00 35.95 39.51 2dkw h PHE 33 CO 0.00 1.61 0.77 1.03 -0.60 0.00 0.00 178.31 181.11 2dkw h SER 34 N 0.13 0.31 -2.13 2.17 0.87 0.06 -3.33 113.55 111.62 2dkw h SER 34 Ca -0.29 0.09 -0.56 0.00 -1.23 0.00 0.00 61.79 59.80 2dkw h SER 34 Cb 2.14 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 64.06 2dkw h SER 34 CO 0.24 -0.02 -0.62 -0.54 -0.53 0.00 0.00 176.83 175.36 2dkw s LYS 35 N -5.34 2.31 -0.43 2.24 1.02 -1.21 -3.90 119.74 114.43 2dkw s LYS 35 Ca -0.08 -1.45 -0.28 0.00 0.02 0.00 0.00 55.97 54.18 2dkw s LYS 35 Cb 0.26 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2dkw s LYS 35 CO 0.81 0.31 1.75 -1.25 -0.92 0.00 0.00 175.35 176.04 2dkw s PRO 36 N -3.71 3.18 -0.49 -1.68 0.04 -1.26 -4.88 135.00 126.19 2dkw s PRO 36 Ca 0.33 1.10 -0.07 0.00 0.04 0.00 0.00 61.00 62.40 2dkw s PRO 36 Cb -0.05 -4.22 -0.20 0.00 0.04 0.00 0.00 34.50 30.06 2dkw s PRO 36 CO 0.20 -2.05 3.40 1.33 0.04 0.00 0.00 177.00 179.92 2dkw n VAL 37 N 7.29 3.42 -3.95 -0.36 0.24 -1.26 -4.81 118.33 118.90 2dkw n VAL 37 Ca 0.21 -1.89 -0.12 0.00 -2.04 0.00 0.00 64.34 60.49 2dkw n VAL 37 Cb 0.48 -2.16 -0.01 0.00 -1.47 0.00 0.00 33.84 30.68 2dkw n VAL 37 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2dkw n SER 38 N 2.75 -1.78 -0.09 -1.34 3.41 -1.26 -4.52 113.62 110.79 2dkw n SER 38 Ca 0.54 -2.79 -0.15 0.00 -0.26 0.00 0.00 58.87 56.20 2dkw n SER 38 Cb 0.70 3.12 -0.08 0.00 -0.26 0.00 0.00 64.21 67.69 2dkw n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dkw n ASP 39 N -1.58 2.23 -4.59 4.04 2.03 -1.26 -4.98 116.55 112.45 2dkw n ASP 39 Ca -0.03 -0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.93 2dkw n ASP 39 Cb 0.60 -0.37 -0.11 0.00 -0.72 0.00 0.00 41.12 40.52 2dkw n ASP 39 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2dkw s TYR 40 N -2.37 3.07 -0.02 -0.67 6.14 -1.26 -5.01 117.35 117.23 2dkw s TYR 40 Ca -0.26 -0.04 -0.17 0.00 0.64 0.00 0.00 57.07 57.25 2dkw s TYR 40 Cb 0.08 -1.86 -0.33 0.00 0.42 0.00 0.00 41.96 40.26 2dkw s TYR 40 CO 0.40 0.22 0.87 1.37 0.64 0.00 0.00 175.55 179.06 2dkw h LEU 41 N 5.89 0.67 0.07 6.97 8.10 -1.95 -3.37 115.31 131.69 2dkw h LEU 41 Ca -0.42 -0.93 -0.00 0.00 0.11 0.00 0.00 57.88 56.64 2dkw h LEU 41 Cb 1.19 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.19 2dkw h LEU 41 CO 0.58 1.63 -0.03 -0.33 -4.11 0.00 0.00 178.44 176.18 2dkw h GLU 42 N -0.05 -0.09 -1.37 0.17 4.39 -2.01 -2.82 114.58 112.80 2dkw h GLU 42 Ca -0.25 0.01 0.41 0.00 0.34 0.00 0.00 59.36 59.87 2dkw h GLU 42 Cb 1.98 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.58 2dkw h GLU 42 CO 0.21 0.11 0.97 1.55 -1.16 0.00 0.00 179.01 180.68 2dkw n VAL 43 N -5.04 -0.05 -2.99 3.13 3.14 -1.26 -4.08 118.33 111.17 2dkw n VAL 43 Ca -0.08 1.19 -0.40 0.00 -2.96 0.00 0.00 64.34 62.09 2dkw n VAL 43 Cb 0.14 -1.97 -0.05 0.00 -1.06 0.00 0.00 33.84 30.91 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 -4.51 4.90 -0.10 1.55 1.01 -1.07 -4.99 121.20 118.00 2dkw s ILE 44 Ca -0.04 1.57 -0.19 0.00 0.00 0.00 0.00 60.65 61.99 2dkw s ILE 44 Cb 0.21 -4.09 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 2dkw s ILE 44 CO 0.66 0.29 0.64 0.11 0.00 0.00 0.00 174.94 176.64 2dkw h LYS 45 N 6.30 -0.07 -3.09 2.79 6.56 -1.86 -3.41 116.57 123.79 2dkw h LYS 45 Ca -0.42 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.55 2dkw h LYS 45 Cb 1.20 0.02 -0.42 0.00 -0.57 0.00 0.00 32.23 32.46 2dkw h LYS 45 CO 0.73 0.49 -0.58 -1.21 -2.06 0.00 0.00 179.45 176.82 2dkw s GLU 46 N -2.52 2.40 -0.37 3.15 0.41 -1.26 -5.07 118.70 115.44 2dkw s GLU 46 Ca -0.12 -3.28 -0.28 0.00 -0.41 0.00 0.00 54.97 50.88 2dkw s GLU 46 Cb -0.01 -3.38 -0.01 0.00 -1.78 0.00 0.00 34.13 28.95 2dkw s GLU 46 CO 0.45 -1.28 1.71 -1.25 -0.49 0.00 0.00 175.26 174.41 2dkw s PRO 47 N -1.35 3.34 -0.09 0.39 0.04 -1.26 -4.98 135.00 131.10 2dkw s PRO 47 Ca 0.24 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 2dkw s PRO 47 Cb -0.06 -4.17 0.02 0.00 0.04 0.00 0.00 34.50 30.33 2dkw s PRO 47 CO -0.16 -1.85 -0.05 1.41 0.04 0.00 0.00 177.00 176.39 2dkw s MET 48 N 5.59 1.17 0.10 4.56 1.75 -1.26 -5.07 119.30 126.13 2dkw s MET 48 Ca 0.75 -0.14 -0.03 0.00 -1.25 0.00 0.00 55.69 55.02 2dkw s MET 48 Cb -0.20 -1.28 -0.03 0.00 2.84 0.00 0.00 34.83 36.16 2dkw s MET 48 CO 0.32 -0.23 0.08 -0.51 -0.65 0.00 0.00 175.02 174.03 2dkw s ASP 49 N 1.60 0.31 0.45 1.11 1.01 -1.26 -4.56 116.67 115.32 2dkw s ASP 49 Ca 0.01 -0.98 0.22 0.00 0.71 0.00 0.00 52.55 52.51 2dkw s ASP 49 Cb -0.13 0.29 1.20 0.00 1.01 0.00 0.00 42.92 45.29 2dkw s ASP 49 CO -0.05 -0.70 1.84 -0.07 0.21 0.00 0.00 175.17 176.40 2dkw h LEU 50 N 2.91 0.30 0.04 1.23 3.38 -1.84 -2.38 115.31 118.96 2dkw h LEU 50 Ca -0.34 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2dkw h LEU 50 Cb 1.18 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2dkw h LEU 50 CO 0.60 0.10 -0.12 -1.28 0.09 0.00 0.00 178.44 177.83 2dkw h SER 51 N 0.29 -0.35 -0.66 -0.43 0.87 -1.81 -0.42 113.55 111.04 2dkw h SER 51 Ca 0.49 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 61.23 2dkw h SER 51 Cb 1.43 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.47 2dkw h SER 51 CO -0.16 -0.13 0.45 0.00 -0.53 0.00 0.00 176.83 176.47 2dkw h THR 52 N -0.17 0.80 -0.45 2.23 1.03 -1.81 -1.16 112.91 113.37 2dkw h THR 52 Ca -0.00 -0.10 0.01 0.00 -0.01 0.00 0.00 66.41 66.30 2dkw h THR 52 Cb 0.17 0.47 -0.02 0.00 -1.07 0.00 0.00 68.15 67.69 2dkw h THR 52 CO -0.06 0.06 0.29 0.58 -0.01 0.00 0.00 175.52 176.38 2dkw h VAL 53 N 0.30 1.10 -0.25 0.00 2.07 -0.87 -0.01 116.25 118.59 2dkw h VAL 53 Ca 0.32 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 2dkw h VAL 53 Cb 0.83 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2dkw h VAL 53 CO -0.08 0.11 0.00 0.40 0.02 0.00 0.00 177.57 178.02 2dkw h ILE 54 N 0.59 1.25 -0.17 4.57 2.04 0.13 -2.94 117.51 122.99 2dkw h ILE 54 Ca 0.17 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.15 2dkw h ILE 54 Cb -0.05 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2dkw h ILE 54 CO -0.05 0.28 0.06 0.74 0.00 0.00 0.00 178.15 179.18 2dkw h THR 55 N 0.22 0.96 -0.44 -0.27 2.02 -1.23 -2.81 112.91 111.35 2dkw h THR 55 Ca 0.07 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.29 2dkw h THR 55 Cb 0.41 0.81 -0.09 0.00 -1.74 0.00 0.00 68.15 67.54 2dkw h THR 55 CO 0.01 0.03 -0.18 0.11 0.37 0.00 0.00 175.52 175.85 2dkw h LYS 56 N 0.14 -0.09 -0.70 6.66 1.57 -0.98 -1.00 116.57 122.17 2dkw h LYS 56 Ca 0.07 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.01 2dkw h LYS 56 Cb 0.05 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.25 2dkw h LYS 56 CO -0.08 -0.06 -0.04 0.82 -0.57 0.00 0.00 179.45 179.53 2dkw h ILE 57 N -0.09 0.37 -1.00 1.86 2.04 -1.31 0.24 117.51 119.62 2dkw h ILE 57 Ca 0.21 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 66.10 2dkw h ILE 57 Cb 0.42 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2dkw h ILE 57 CO -0.51 0.01 0.65 -0.78 0.00 0.00 0.00 178.15 177.53 2dkw h ASP 58 N 0.08 1.06 -0.18 1.72 3.58 -1.10 -1.67 116.42 119.92 2dkw h ASP 58 Ca 0.37 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.71 2dkw h ASP 58 Cb 0.62 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 2dkw h ASP 58 CO -0.64 0.69 0.14 0.29 -2.88 0.00 0.00 179.24 176.85 2dkw n LYS 59 N -4.48 1.28 -3.80 0.28 4.01 0.78 -4.81 118.16 111.41 2dkw n LYS 59 Ca 0.15 -0.57 -0.24 0.00 -0.51 0.00 0.00 58.31 57.14 2dkw n LYS 59 Cb 0.15 -1.22 -0.07 0.00 -0.51 0.00 0.00 35.03 33.38 2dkw n LYS 59 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2dkw n HIS 60 N 0.83 -0.90 -0.06 2.13 8.25 -0.63 -4.81 115.22 120.03 2dkw n HIS 60 Ca 0.11 0.45 -0.12 0.00 -0.26 0.00 0.00 57.72 57.90 2dkw n HIS 60 Cb 0.58 -1.91 -0.11 0.00 1.12 0.00 0.00 29.99 29.67 2dkw n HIS 60 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2dkw h ASN 61 N -0.95 -0.00 -3.58 0.41 -0.73 -1.53 -3.46 115.58 105.74 2dkw h ASN 61 Ca -0.47 -0.84 -0.52 0.00 1.87 0.00 0.00 56.30 56.34 2dkw h ASN 61 Cb 1.02 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.58 2dkw h ASN 61 CO 0.54 0.91 0.12 -0.31 -0.37 0.00 0.00 177.43 178.32 2dkw s TYR 62 N -2.21 3.66 0.00 0.67 2.02 -1.26 -4.96 117.35 115.27 2dkw s TYR 62 Ca -0.16 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 2dkw s TYR 62 Cb -0.02 -2.63 0.00 0.00 -0.40 0.00 0.00 41.96 38.90 2dkw s TYR 62 CO 0.59 0.34 0.03 1.47 -1.57 0.00 0.00 175.55 176.42 2dkw n LEU 63 N 0.76 0.07 -3.95 -1.29 -0.00 -1.26 -4.92 117.00 106.40 2dkw n LEU 63 Ca -0.02 -0.38 -0.08 0.00 -0.00 0.00 0.00 56.01 55.52 2dkw n LEU 63 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 2dkw n LEU 63 CO 0.43 0.02 -0.21 0.42 -0.00 0.00 0.00 177.39 178.04 2dkw s THR 64 N -0.63 0.17 0.15 1.47 -4.23 -1.26 -4.58 115.64 106.72 2dkw s THR 64 Ca 0.00 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 2dkw s THR 64 Cb 0.00 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.58 2dkw s THR 64 CO 0.00 -0.75 1.59 0.00 -0.54 0.00 0.00 174.62 174.92 2dkw h ALA 65 N 3.14 0.66 -0.65 3.99 0.00 -1.97 -3.08 119.26 121.34 2dkw h ALA 65 Ca -0.34 -0.30 0.14 0.00 0.00 0.00 0.00 54.91 54.41 2dkw h ALA 65 Cb 1.18 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 2dkw h ALA 65 CO 0.58 0.49 0.09 -0.22 0.00 0.00 0.00 179.25 180.18 2dkw h LYS 66 N 0.73 0.19 0.18 0.00 1.63 -1.98 -2.54 116.57 114.78 2dkw h LYS 66 Ca 0.13 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2dkw h LYS 66 Cb 0.55 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2dkw h LYS 66 CO 0.03 0.13 -0.21 0.22 -3.45 0.00 0.00 179.45 176.17 2dkw h ASP 67 N 0.20 -0.58 -0.83 4.20 1.82 -1.97 -2.84 116.42 116.42 2dkw h ASP 67 Ca 0.35 0.05 0.13 0.00 -0.39 0.00 0.00 57.03 57.17 2dkw h ASP 67 Cb 0.57 0.19 -0.13 0.00 0.68 0.00 0.00 39.33 40.64 2dkw h ASP 67 CO -0.50 -0.26 -0.33 0.33 -1.61 0.00 0.00 179.24 176.87 2dkw n PHE 68 N -3.59 0.01 -0.25 0.28 7.35 -1.02 0.78 117.46 121.01 2dkw n PHE 68 Ca -0.05 1.03 0.00 0.00 -0.76 0.00 0.00 57.45 57.67 2dkw n PHE 68 Cb 0.18 -0.80 0.07 0.00 0.35 0.00 0.00 39.48 39.29 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 0.00 -0.73 -0.93 -2.13 3.38 -1.24 -1.16 115.31 112.50 2dkw h LEU 69 Ca 0.28 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.58 2dkw h LEU 69 Cb 0.49 0.47 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 2dkw h LEU 69 CO -0.83 -0.25 -0.52 0.11 0.09 0.00 0.00 178.44 177.05 2dkw h LYS 70 N -0.02 -0.04 -0.67 1.13 1.57 0.59 0.27 116.57 119.40 2dkw h LYS 70 Ca 0.34 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.26 2dkw h LYS 70 Cb 0.53 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.73 2dkw h LYS 70 CO -0.74 -0.03 -0.13 -0.44 -0.57 0.00 0.00 179.45 177.55 2dkw h ASP 71 N -0.04 -0.55 -0.98 0.86 3.32 -1.20 0.28 116.42 118.12 2dkw h ASP 71 Ca 0.21 0.19 0.16 0.00 0.02 0.00 0.00 57.03 57.61 2dkw h ASP 71 Cb 0.49 0.39 -0.09 0.00 0.22 0.00 0.00 39.33 40.34 2dkw h ASP 71 CO -0.91 -0.20 0.61 0.40 -1.72 0.00 0.00 179.24 177.41 2dkw h ILE 72 N 0.02 0.80 0.00 0.35 1.08 -0.40 0.29 117.51 119.65 2dkw h ILE 72 Ca 0.33 -0.27 -0.05 0.00 -0.39 0.00 0.00 64.86 64.48 2dkw h ILE 72 Cb 0.52 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 2dkw h ILE 72 CO -0.67 0.14 -0.24 -0.78 -0.69 0.00 0.00 178.15 175.92 2dkw h ASP 73 N 0.79 0.00 -0.06 1.72 3.58 0.25 -1.54 116.42 121.16 2dkw h ASP 73 Ca 0.52 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.97 2dkw h ASP 73 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2dkw h ASP 73 CO -0.29 0.24 0.00 -0.11 -2.88 0.00 0.00 179.24 176.20 2dkw n LEU 74 N -3.78 1.03 -0.09 2.28 7.94 0.99 -3.83 117.00 121.53 2dkw n LEU 74 Ca -0.01 -0.39 -0.16 0.00 -1.11 0.00 0.00 56.01 54.33 2dkw n LEU 74 Cb 0.34 -0.04 -0.07 0.00 0.53 0.00 0.00 43.42 44.18 2dkw n LEU 74 CO 0.34 0.20 -1.10 -0.38 -1.11 0.00 0.00 177.39 175.33 2dkw n ILE 75 N -0.15 1.01 0.19 1.96 5.41 -0.63 -3.82 119.36 123.33 2dkw n ILE 75 Ca 0.18 -0.32 0.14 0.00 1.00 0.00 0.00 62.75 63.75 2dkw n ILE 75 Cb 0.25 -1.42 0.74 0.00 -0.71 0.00 0.00 39.64 38.50 2dkw n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2dkw h SER 77 N 0.00 0.00 -1.38 0.00 0.87 -1.79 -3.20 113.55 108.06 2dkw h SER 77 Ca 0.09 -0.36 0.40 0.00 -1.23 0.00 0.00 61.79 60.69 2dkw h SER 77 Cb 0.39 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.29 2dkw h SER 77 CO -0.00 0.97 0.99 0.78 -0.53 0.00 0.00 176.83 179.04 2dkw h ASN 78 N -1.00 0.01 1.03 6.23 4.21 -1.62 1.34 115.58 125.79 2dkw h ASN 78 Ca -0.10 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.21 2dkw h ASN 78 Cb 0.74 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.91 2dkw h ASN 78 CO -0.06 -0.00 -0.99 0.00 -1.29 0.00 0.00 177.43 175.09 2dkw h ALA 79 N 1.32 0.46 0.00 -0.83 0.00 -1.53 -0.23 119.26 118.45 2dkw h ALA 79 Ca 0.66 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2dkw h ALA 79 Cb 2.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.34 2dkw h ALA 79 CO -0.02 1.16 0.00 1.28 0.00 0.00 0.00 179.25 181.67 2dkw n LEU 80 N -3.29 0.67 -0.09 0.00 4.77 0.45 -3.88 117.00 115.64 2dkw n LEU 80 Ca -0.02 0.58 -0.16 0.00 -0.03 0.00 0.00 56.01 56.38 2dkw n LEU 80 Cb 0.91 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2dkw n LEU 80 CO 0.46 -0.21 -1.12 1.21 -1.33 0.00 0.00 177.39 176.39 2dkw n GLU 81 N -2.15 0.43 -3.08 3.23 2.13 -0.47 -4.86 120.64 115.87 2dkw n GLU 81 Ca 0.05 0.14 -0.45 0.00 0.66 0.00 0.00 57.16 57.56 2dkw n GLU 81 Cb 0.39 -1.29 -0.04 0.00 0.27 0.00 0.00 31.44 30.77 2dkw n GLU 81 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2dkw s TYR 82 N -2.36 3.05 -0.20 4.31 2.02 -0.10 -4.98 117.35 119.09 2dkw s TYR 82 Ca -0.25 -1.07 -0.28 0.00 -0.37 0.00 0.00 57.07 55.09 2dkw s TYR 82 Cb 0.08 -4.06 0.12 0.00 -0.40 0.00 0.00 41.96 37.70 2dkw s TYR 82 CO 0.38 -1.33 1.01 0.54 -1.57 0.00 0.00 175.55 174.58 2dkw s ASN 83 N 3.51 -0.40 -0.47 2.29 2.20 -1.26 -4.64 114.94 116.17 2dkw s ASN 83 Ca 0.16 0.57 -0.28 0.00 -0.94 0.00 0.00 52.86 52.37 2dkw s ASN 83 Cb -0.20 0.50 -0.02 0.00 -2.00 0.00 0.00 41.25 39.54 2dkw s ASN 83 CO 0.03 -0.28 1.77 -2.16 -2.94 0.00 0.00 177.10 173.52 2dkw s PRO 84 N -0.64 3.05 1.04 3.55 0.04 -1.26 -4.99 135.00 135.79 2dkw s PRO 84 Ca -0.00 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 2dkw s PRO 84 Cb -0.02 -4.26 0.21 0.00 0.04 0.00 0.00 34.50 30.47 2dkw s PRO 84 CO -0.01 -2.20 1.07 -0.51 0.04 0.00 0.00 177.00 175.39 2dkw s ASP 85 N 6.67 2.19 -1.40 6.66 1.11 -1.26 -3.49 116.67 127.15 2dkw s ASP 85 Ca 0.72 1.38 -0.10 0.00 0.18 0.00 0.00 52.55 54.73 2dkw s ASP 85 Cb -0.17 -2.08 0.10 0.00 1.07 0.00 0.00 42.92 41.84 2dkw s ASP 85 CO 0.28 -3.43 0.25 0.29 1.18 0.00 0.00 175.17 173.73 2dkw n LYS 86 N -4.39 -0.86 -3.88 8.23 4.76 -1.26 -4.88 118.16 115.89 2dkw n LYS 86 Ca 0.05 0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 2dkw n LYS 86 Cb 0.56 -3.38 -0.08 0.00 -1.84 0.00 0.00 35.03 30.30 2dkw n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dkw s ASP 87 N -3.47 0.15 -0.29 4.39 1.11 -1.23 -5.12 116.67 112.22 2dkw s ASP 87 Ca 0.35 -0.68 -0.29 0.00 0.18 0.00 0.00 52.55 52.11 2dkw s ASP 87 Cb -0.20 0.32 -0.02 0.00 1.07 0.00 0.00 42.92 44.09 2dkw s ASP 87 CO 0.82 -0.71 1.66 -2.16 1.18 0.00 0.00 175.17 175.96 2dkw s PRO 88 N -3.82 3.60 0.00 8.23 0.04 -1.26 -3.53 135.00 138.25 2dkw s PRO 88 Ca 0.05 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2dkw s PRO 88 Cb 0.05 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2dkw s PRO 88 CO -0.11 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.81 2dkw n GLY 89 N 5.00 3.78 0.26 0.56 0.00 -1.26 -4.98 105.19 108.56 2dkw n GLY 89 Ca 0.20 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 2dkw n GLY 89 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dkw h ASP 90 N 0.00 -0.74 -1.37 1.61 5.19 -1.77 0.16 116.42 119.50 2dkw h ASP 90 Ca 0.00 0.16 0.41 0.00 -0.62 0.00 0.00 57.03 56.97 2dkw h ASP 90 Cb 0.00 0.38 -0.08 0.00 0.18 0.00 0.00 39.33 39.81 2dkw h ASP 90 CO 0.00 -0.25 0.95 0.07 -3.12 0.00 0.00 179.24 176.89 2dkw h LYS 91 N -0.16 0.09 0.05 3.56 2.10 -1.93 0.12 116.57 120.40 2dkw h LYS 91 Ca 0.18 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.71 2dkw h LYS 91 Cb 0.45 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2dkw h LYS 91 CO -0.47 0.06 -0.61 0.82 -2.00 0.00 0.00 179.45 177.24 2dkw h ILE 92 N 0.09 1.47 0.00 0.07 5.03 -1.13 -3.36 117.51 119.68 2dkw h ILE 92 Ca 0.72 -2.37 0.00 0.00 -0.12 0.00 0.00 64.86 63.09 2dkw h ILE 92 Cb 2.55 3.05 0.00 0.00 -3.03 0.00 0.00 36.82 39.39 2dkw h ILE 92 CO -0.17 0.59 0.00 -0.38 -0.68 0.00 0.00 178.15 177.51 2dkw n ILE 93 N -4.37 0.00 -0.23 -0.67 5.41 0.38 -0.16 119.36 119.72 2dkw n ILE 93 Ca -0.17 1.31 0.21 0.00 1.00 0.00 0.00 62.75 65.10 2dkw n ILE 93 Cb 0.65 -1.84 0.39 0.00 -0.71 0.00 0.00 39.64 38.13 2dkw n ILE 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2dkw n ARG 94 N -2.17 -0.05 0.20 0.38 1.74 -1.07 0.23 116.66 115.93 2dkw n ARG 94 Ca 0.00 1.01 -0.09 0.00 -0.77 0.00 0.00 57.85 58.01 2dkw n ARG 94 Cb 0.00 -1.78 -0.04 0.00 -1.02 0.00 0.00 32.46 29.62 2dkw n ARG 94 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2dkw h HIS 95 N 0.00 -0.52 0.00 -1.55 2.76 -0.76 -3.11 115.15 111.96 2dkw h HIS 95 Ca 0.58 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.74 2dkw h HIS 95 Cb 1.50 0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.64 2dkw h HIS 95 CO -0.07 -0.32 0.00 2.89 -1.30 0.00 0.00 177.93 179.13 2dkw n ARG 96 N -4.61 0.48 0.05 5.26 1.85 1.00 -2.77 116.66 117.91 2dkw n ARG 96 Ca -0.07 0.02 -0.21 0.00 -1.00 0.00 0.00 57.85 56.59 2dkw n ARG 96 Cb 0.22 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 29.99 2dkw n ARG 96 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dkw h ALA 97 N 3.00 -0.06 0.01 2.89 0.00 0.30 -3.26 119.26 122.14 2dkw h ALA 97 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 2dkw h ALA 97 Cb 0.02 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dkw h ALA 97 CO 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 179.25 179.67 2dkw h THR 99 N -0.86 0.24 -0.68 0.00 2.02 -1.72 0.20 112.91 112.11 2dkw h THR 99 Ca -0.01 -0.03 0.15 0.00 0.77 0.00 0.00 66.41 67.29 2dkw h THR 99 Cb 0.96 0.15 -0.11 0.00 -1.74 0.00 0.00 68.15 67.41 2dkw h THR 99 CO 0.01 0.01 0.03 0.25 0.37 0.00 0.00 175.52 176.19 2dkw h LEU 100 N 0.08 -0.26 -0.04 2.58 5.85 -1.67 0.19 115.31 122.05 2dkw h LEU 100 Ca 0.47 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.38 2dkw h LEU 100 Cb 0.87 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2dkw h LEU 100 CO -0.75 -0.12 -0.09 0.50 -0.34 0.00 0.00 178.44 177.64 2dkw h LYS 101 N 0.13 -0.13 -0.30 1.25 3.64 -0.74 0.41 116.57 120.83 2dkw h LYS 101 Ca 0.37 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 2dkw h LYS 101 Cb 0.62 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2dkw h LYS 101 CO -0.57 -0.08 0.16 0.22 -2.27 0.00 0.00 179.45 176.90 2dkw h ASP 102 N -0.13 0.25 0.34 4.20 3.58 -0.88 -0.99 116.42 122.79 2dkw h ASP 102 Ca 0.05 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2dkw h ASP 102 Cb 0.19 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2dkw h ASP 102 CO -0.12 0.18 -0.27 0.74 -2.88 0.00 0.00 179.24 176.90 2dkw h THR 103 N 0.33 0.44 0.28 2.25 2.02 -0.38 0.94 112.91 118.78 2dkw h THR 103 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2dkw h THR 103 Cb 0.02 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 2dkw h THR 103 CO -0.07 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.48 2dkw h ALA 104 N -0.03 -0.98 -0.88 6.16 0.00 -0.79 0.11 119.26 122.85 2dkw h ALA 104 Ca -0.03 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 54.97 2dkw h ALA 104 Cb 0.53 0.60 -0.12 0.00 0.00 0.00 0.00 17.79 18.81 2dkw h ALA 104 CO -0.01 -1.01 0.39 0.45 0.00 0.00 0.00 179.25 179.07 2dkw h HIS 105 N -0.62 0.66 -0.44 0.00 -0.00 -1.18 0.87 115.15 114.43 2dkw h HIS 105 Ca -0.03 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2dkw h HIS 105 Cb 0.55 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 2dkw h HIS 105 CO -0.23 0.01 0.29 0.00 -0.00 0.00 0.00 177.93 177.99 2dkw h ALA 106 N 1.67 0.56 -0.15 2.45 0.00 -0.34 0.14 119.26 123.59 2dkw h ALA 106 Ca 0.53 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 2dkw h ALA 106 Cb 0.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2dkw h ALA 106 CO -0.48 -0.01 -0.28 0.82 0.00 0.00 0.00 179.25 179.29 2dkw h ILE 107 N 0.58 1.26 -0.01 0.00 2.04 0.11 -1.65 117.51 119.84 2dkw h ILE 107 Ca 0.17 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 2dkw h ILE 107 Cb -0.04 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2dkw h ILE 107 CO -0.05 0.37 -0.02 0.40 0.00 0.00 0.00 178.15 178.85 2dkw h ILE 108 N 0.25 1.48 -0.13 -0.67 1.08 -0.36 -1.38 117.51 117.78 2dkw h ILE 108 Ca 0.04 -1.46 0.01 0.00 -0.39 0.00 0.00 64.86 63.05 2dkw h ILE 108 Cb 0.63 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.83 2dkw h ILE 108 CO 0.05 0.38 0.07 0.00 -0.69 0.00 0.00 178.15 177.96 2dkw h ALA 109 N 0.39 0.16 0.82 1.87 0.00 -0.70 0.42 119.26 122.22 2dkw h ALA 109 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2dkw h ALA 109 Cb 0.64 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2dkw h ALA 109 CO 0.01 -0.37 -0.39 0.00 0.00 0.00 0.00 179.25 178.49 2dkw h ALA 110 N 1.06 -1.10 0.46 0.00 0.00 -1.39 -3.33 119.26 114.95 2dkw h ALA 110 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2dkw h ALA 110 Cb -0.00 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dkw h ALA 110 CO -0.03 -1.06 -0.26 0.93 0.00 0.00 0.00 179.25 178.83 2dkw h GLU 111 N -1.22 -0.63 -6.49 0.00 5.08 -1.24 -3.43 114.58 106.65 2dkw h GLU 111 Ca -0.11 0.04 -0.61 0.00 -1.00 0.00 0.00 59.36 57.68 2dkw h GLU 111 Cb 0.86 0.14 0.09 0.00 0.50 0.00 0.00 28.75 30.34 2dkw h GLU 111 CO 0.19 -0.42 0.38 -0.11 -1.00 0.00 0.00 179.01 178.04 2dkw n LEU 112 N -3.91 2.33 -4.75 1.33 7.94 0.15 -4.99 117.00 115.10 2dkw n LEU 112 Ca -0.08 1.16 -0.23 0.00 -1.11 0.00 0.00 56.01 55.75 2dkw n LEU 112 Cb 0.27 -1.33 -0.06 0.00 0.53 0.00 0.00 43.42 42.83 2dkw n LEU 112 CO 0.19 -0.96 -0.24 -1.81 -1.11 0.00 0.00 177.39 173.47 2dkw s ASP 113 N -0.05 5.13 0.00 1.96 1.11 -1.26 -4.74 116.67 118.81 2dkw s ASP 113 Ca 0.66 -0.40 0.14 0.00 0.18 0.00 0.00 52.55 53.14 2dkw s ASP 113 Cb -0.72 -1.18 0.67 0.00 1.07 0.00 0.00 42.92 42.76 2dkw s ASP 113 CO 0.54 -0.01 1.43 -0.81 1.18 0.00 0.00 175.17 177.49 2dkw n PRO 114 N -1.00 0.11 -0.07 8.23 -0.04 -1.26 -1.76 135.00 139.21 2dkw n PRO 114 Ca -0.07 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2dkw n PRO 114 Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.39 1.69 0.06 0.54 0.28 -1.26 -4.34 120.64 116.22 2dkw n GLU 115 Ca 0.05 -0.01 -0.21 0.00 -0.16 0.00 0.00 57.16 56.83 2dkw n GLU 115 Cb 0.14 -1.36 -0.14 0.00 1.43 0.00 0.00 31.44 31.52 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 0.74 -0.54 -1.84 3.57 -1.91 -3.21 116.94 113.75 2dkw h PHE 116 Ca -0.37 -0.49 0.06 0.00 3.53 0.00 0.00 57.97 60.71 2dkw h PHE 116 Cb 1.82 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.46 2dkw h PHE 116 CO 0.00 1.35 0.24 -0.97 -2.23 0.00 0.00 178.31 176.70 2dkw h ASN 117 N -0.09 0.30 -0.74 0.41 -1.24 -1.59 -1.42 115.58 111.22 2dkw h ASN 117 Ca -0.16 0.05 0.05 0.00 0.71 0.00 0.00 56.30 56.95 2dkw h ASN 117 Cb 1.71 -0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.71 2dkw h ASN 117 CO 0.18 0.20 0.45 0.11 -1.29 0.00 0.00 177.43 177.08 2dkw h LYS 118 N 0.46 0.81 -0.74 6.67 1.57 -1.76 -1.26 116.57 122.33 2dkw h LYS 118 Ca 0.25 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2dkw h LYS 118 Cb 0.22 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2dkw h LYS 118 CO -0.21 0.54 0.30 -0.07 -0.57 0.00 0.00 179.45 179.43 2dkw h LEU 119 N 0.84 1.00 0.54 2.94 3.38 -1.35 -1.36 115.31 121.29 2dkw h LEU 119 Ca 0.32 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2dkw h LEU 119 Cb 0.12 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.61 2dkw h LEU 119 CO -0.15 0.89 -0.26 0.00 0.09 0.00 0.00 178.44 179.01 2dkw h GLU 121 N -0.87 0.00 -0.72 0.00 4.11 -1.28 -0.97 114.58 114.86 2dkw h GLU 121 Ca -0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2dkw h GLU 121 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2dkw h GLU 121 CO 0.12 0.00 0.41 1.49 0.07 0.00 0.00 179.01 181.10 2dkw h GLU 122 N 0.00 0.98 -0.05 1.06 4.81 -0.97 -2.33 114.58 118.07 2dkw h GLU 122 Ca 0.00 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 2dkw h GLU 122 Cb 0.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2dkw h GLU 122 CO 0.00 0.70 -0.75 0.82 -0.73 0.00 0.00 179.01 179.05 2dkw h ILE 123 N 0.99 1.41 -0.17 2.32 2.04 -1.23 -2.34 117.51 120.53 2dkw h ILE 123 Ca 0.26 -2.24 0.05 0.00 1.00 0.00 0.00 64.86 63.92 2dkw h ILE 123 Cb -0.01 2.19 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 2dkw h ILE 123 CO -0.04 0.67 -0.43 0.50 0.00 0.00 0.00 178.15 178.84 2dkw h LYS 124 N 0.22 -0.46 -0.02 2.37 3.64 -1.48 -1.43 116.57 119.41 2dkw h LYS 124 Ca -0.03 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2dkw h LYS 124 Cb 1.33 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2dkw h LYS 124 CO 0.12 -0.31 -0.04 1.05 -2.27 0.00 0.00 179.45 178.01 2dkw h GLU 125 N -0.48 0.05 -0.94 1.90 4.11 -1.62 -3.25 114.58 114.35 2dkw h GLU 125 Ca 0.08 -0.04 0.27 0.00 0.07 0.00 0.00 59.36 59.74 2dkw h GLU 125 Cb 0.63 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.71 2dkw h GLU 125 CO -0.43 0.62 0.07 0.43 0.07 0.00 0.00 179.01 179.77 2dkw n SER 126 N -4.76 -0.07 0.00 3.06 7.64 -0.88 -4.07 113.62 114.55 2dkw n SER 126 Ca -0.09 1.59 0.00 0.00 1.01 0.00 0.00 58.87 61.38 2dkw n SER 126 Cb 0.32 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2dkw n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkw n GLY 127 N -1.45 1.25 3.59 0.23 0.00 -0.56 -5.03 105.19 103.22 2dkw n GLY 127 Ca 0.23 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2dkw n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkw s PRO 128 N 0.00 -1.28 0.32 1.61 0.04 -1.25 -5.09 135.00 129.36 2dkw s PRO 128 Ca 0.00 -0.08 0.06 0.00 0.04 0.00 0.00 61.00 61.02 2dkw s PRO 128 Cb 0.00 -1.59 -0.06 0.00 0.04 0.00 0.00 34.50 32.89 2dkw s PRO 128 CO 0.00 -3.75 -0.01 -1.12 0.04 0.00 0.00 177.00 172.16 2dkw s SER 129 N -3.90 2.90 -0.27 6.66 0.01 -1.26 -4.42 113.70 113.42 2dkw s SER 129 Ca 0.71 -1.29 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 2dkw s SER 129 Cb -0.09 -0.19 0.10 0.00 0.21 0.00 0.00 66.02 66.04 2dkw s SER 129 CO 0.56 -0.44 0.62 -0.94 0.41 0.00 0.00 173.24 173.45 2dkw s SER 130 N -3.52 -0.92 0.00 2.44 1.04 -1.26 -5.15 113.70 106.34 2dkw s SER 130 Ca 0.33 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2dkw s SER 130 Cb 0.06 1.69 0.00 0.00 0.10 0.00 0.00 66.02 67.87 2dkw s SER 130 CO 0.15 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.75