#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw s SER 2 N 0.00 6.58 -0.27 1.61 0.15 -1.26 -5.09 113.70 115.42 2dkw s SER 2 Ca 0.00 0.71 -0.25 0.00 0.70 0.00 0.00 55.95 57.11 2dkw s SER 2 Cb 0.00 -2.14 0.09 0.00 -1.71 0.00 0.00 66.02 62.26 2dkw s SER 2 CO 0.00 0.16 0.86 -0.44 1.20 0.00 0.00 173.24 175.03 2dkw s SER 3 N -1.88 -0.61 0.00 5.45 0.01 -1.26 -5.04 113.70 110.38 2dkw s SER 3 Ca 0.33 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.75 2dkw s SER 3 Cb -0.13 1.17 0.00 0.00 0.21 0.00 0.00 66.02 67.27 2dkw s SER 3 CO 0.19 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2dkw n GLY 4 N 2.41 -0.56 0.10 3.44 0.00 -1.26 -4.98 105.19 104.34 2dkw n GLY 4 Ca -0.13 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2dkw n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dkw h SER 5 N 0.00 -0.13 -3.37 1.61 0.87 -2.06 -3.45 113.55 107.03 2dkw h SER 5 Ca 0.00 -0.16 -0.48 0.00 -1.23 0.00 0.00 61.79 59.93 2dkw h SER 5 Cb 0.00 0.03 0.04 0.00 -0.44 0.00 0.00 62.40 62.03 2dkw h SER 5 CO 0.00 0.08 0.06 -0.94 -0.53 0.00 0.00 176.83 175.50 2dkw s SER 6 N -5.23 5.99 0.00 6.23 1.04 -1.26 -4.49 113.70 115.98 2dkw s SER 6 Ca -0.14 0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2dkw s SER 6 Cb 0.04 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2dkw s SER 6 CO 0.64 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2dkw n GLY 7 N -2.27 2.29 0.32 7.32 0.00 -1.26 -4.76 105.19 106.83 2dkw n GLY 7 Ca 0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 2dkw n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dkw h ASN 8 N 0.00 0.90 -1.08 1.61 2.35 -1.86 -2.07 115.58 115.44 2dkw h ASN 8 Ca 0.00 -0.01 0.31 0.00 -0.55 0.00 0.00 56.30 56.05 2dkw h ASN 8 Cb 0.00 -0.21 -0.12 0.00 0.05 0.00 0.00 38.32 38.04 2dkw h ASN 8 CO 0.00 0.63 0.67 0.74 -1.65 0.00 0.00 177.43 177.82 2dkw h THR 9 N 1.06 0.39 0.12 2.81 2.02 -1.86 -0.94 112.91 116.52 2dkw h THR 9 Ca 0.33 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 2dkw h THR 9 Cb -0.02 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2dkw h THR 9 CO -0.11 0.06 -0.06 -0.07 0.37 0.00 0.00 175.52 175.72 2dkw h LEU 10 N 0.35 -0.14 -0.87 2.58 -0.00 -1.76 -3.18 115.31 112.29 2dkw h LEU 10 Ca 0.68 -0.42 0.10 0.00 -0.00 0.00 0.00 57.88 58.24 2dkw h LEU 10 Cb 1.71 0.04 -0.12 0.00 -0.00 0.00 0.00 40.66 42.29 2dkw h LEU 10 CO -0.43 0.46 -0.46 -1.14 -0.00 0.00 0.00 178.44 176.87 2dkw n ARG 11 N -4.88 -0.33 -0.08 1.13 0.00 -0.39 0.25 116.66 112.37 2dkw n ARG 11 Ca -0.08 1.32 -0.06 0.00 -0.00 0.00 0.00 57.85 59.03 2dkw n ARG 11 Cb 0.27 -1.95 -0.00 0.00 0.00 0.00 0.00 32.46 30.78 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 -0.06 0.18 -0.14 4.39 -1.58 -2.55 114.58 114.82 2dkw h GLU 12 Ca 0.19 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.91 2dkw h GLU 12 Cb 0.41 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2dkw h GLU 12 CO -0.83 -0.04 -0.28 1.25 -1.16 0.00 0.00 179.01 177.95 2dkw h LEU 13 N -0.06 -0.78 -0.90 1.33 5.85 -0.17 -0.52 115.31 120.07 2dkw h LEU 13 Ca 0.16 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.04 2dkw h LEU 13 Cb 0.30 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 41.51 2dkw h LEU 13 CO -0.36 -0.38 -0.53 -1.14 -0.34 0.00 0.00 178.44 175.69 2dkw n ARG 14 N -5.39 -0.39 -0.19 1.25 0.63 0.75 0.04 116.66 113.35 2dkw n ARG 14 Ca -0.07 1.37 -0.07 0.00 -0.92 0.00 0.00 57.85 58.16 2dkw n ARG 14 Cb 0.30 -2.02 0.02 0.00 0.45 0.00 0.00 32.46 31.22 2dkw n ARG 14 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2dkw h LEU 15 N 0.00 0.69 0.01 6.15 3.38 -1.33 -2.27 115.31 121.95 2dkw h LEU 15 Ca 0.14 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2dkw h LEU 15 Cb 0.37 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2dkw h LEU 15 CO -0.84 0.58 -0.52 0.15 0.09 0.00 0.00 178.44 177.90 2dkw h PHE 16 N 0.74 -1.51 0.19 1.13 3.57 0.13 -1.08 116.94 120.11 2dkw h PHE 16 Ca 0.19 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2dkw h PHE 16 Cb 0.04 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2dkw h PHE 16 CO -0.01 -0.57 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.26 2dkw h LEU 17 N -0.67 -0.44 -0.73 0.59 3.38 -0.66 -2.61 115.31 114.17 2dkw h LEU 17 Ca 0.02 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2dkw h LEU 17 Cb 0.72 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 2dkw h LEU 17 CO -0.35 -0.22 -0.29 -1.14 0.09 0.00 0.00 178.44 176.53 2dkw n ARG 18 N -3.30 -0.18 -0.26 1.13 0.63 -0.86 0.20 116.66 114.03 2dkw n ARG 18 Ca -0.04 1.12 0.06 0.00 -0.92 0.00 0.00 57.85 58.07 2dkw n ARG 18 Cb 0.15 -1.67 0.19 0.00 0.45 0.00 0.00 32.46 31.59 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 0.20 0.65 6.15 3.58 -1.02 0.11 116.42 126.11 2dkw h ASP 19 Ca 0.25 0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.79 2dkw h ASP 19 Cb 0.43 0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.61 2dkw h ASP 19 CO -0.72 0.06 -0.31 0.58 -2.88 0.00 0.00 179.24 175.96 2dkw h VAL 20 N 0.39 0.00 -0.52 2.25 2.07 0.27 -1.31 116.25 119.40 2dkw h VAL 20 Ca 0.42 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.82 2dkw h VAL 20 Cb 0.67 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 2dkw h VAL 20 CO -0.44 0.00 -0.27 0.74 0.02 0.00 0.00 177.57 177.62 2dkw h THR 21 N -1.09 0.27 -0.29 2.57 2.02 -0.82 -0.88 112.91 114.68 2dkw h THR 21 Ca -0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.14 2dkw h THR 21 Cb 0.67 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2dkw h THR 21 CO 0.15 0.00 0.01 0.50 0.37 0.00 0.00 175.52 176.55 2dkw h LYS 22 N -0.15 0.10 -1.04 6.66 3.64 -0.83 0.18 116.57 125.13 2dkw h LYS 22 Ca 0.23 -0.01 0.30 0.00 -1.27 0.00 0.00 60.65 59.90 2dkw h LYS 22 Cb 0.51 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2dkw h LYS 22 CO -0.61 0.07 0.75 -0.09 -2.27 0.00 0.00 179.45 177.30 2dkw h ARG 23 N 0.10 0.03 0.00 1.90 9.65 0.05 -0.67 114.38 125.44 2dkw h ARG 23 Ca 0.14 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 2dkw h ARG 23 Cb 0.18 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2dkw h ARG 23 CO -0.22 0.02 -0.41 -0.07 2.80 0.00 0.00 179.97 182.08 2dkw h LEU 24 N 0.03 0.00 -0.75 3.80 3.38 -0.59 -3.33 115.31 117.84 2dkw h LEU 24 Ca 0.50 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 58.30 2dkw h LEU 24 Cb 1.96 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.57 2dkw h LEU 24 CO -0.02 0.89 -0.20 0.00 0.09 0.00 0.00 178.44 179.19 2dkw h ALA 25 N -0.68 0.47 -0.84 1.53 0.00 -0.32 0.26 119.26 119.68 2dkw h ALA 25 Ca -0.07 0.29 0.16 0.00 0.00 0.00 0.00 54.91 55.29 2dkw h ALA 25 Cb 0.63 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 2dkw h ALA 25 CO -0.04 -0.42 0.39 0.00 0.00 0.00 0.00 179.25 179.17 2dkw h THR 26 N -0.01 0.64 -2.57 0.00 1.03 -1.32 -3.37 112.91 107.31 2dkw h THR 26 Ca 0.36 -0.18 -0.54 0.00 -0.01 0.00 0.00 66.41 66.04 2dkw h THR 26 Cb 0.56 0.08 0.01 0.00 -1.07 0.00 0.00 68.15 67.73 2dkw h THR 26 CO -0.78 0.09 1.10 -1.81 -0.01 0.00 0.00 175.52 174.11 2dkw s ASP 27 N -5.34 6.58 0.35 0.00 1.11 0.91 -4.87 116.67 115.41 2dkw s ASP 27 Ca -0.12 2.46 0.10 0.00 0.18 0.00 0.00 52.55 55.17 2dkw s ASP 27 Cb 0.22 -2.54 0.86 0.00 1.07 0.00 0.00 42.92 42.53 2dkw s ASP 27 CO 0.78 -0.95 1.83 0.50 1.18 0.00 0.00 175.17 178.50 2dkw h LYS 28 N 9.38 0.63 -0.07 8.23 1.63 -1.82 0.36 116.57 134.91 2dkw h LYS 28 Ca -0.43 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.35 2dkw h LYS 28 Cb 1.20 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2dkw h LYS 28 CO 0.94 0.42 0.20 0.00 -3.45 0.00 0.00 179.45 177.56 2dkw h ARG 29 N 0.65 0.00 -0.22 1.90 3.08 -1.89 -0.62 114.38 117.27 2dkw h ARG 29 Ca 0.51 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.37 2dkw h ARG 29 Cb 0.92 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.75 2dkw h ARG 29 CO -0.26 0.00 -0.74 1.19 -1.07 0.00 0.00 179.97 179.09 2dkw n PHE 30 N -3.26 0.78 -0.02 3.04 3.72 0.12 -4.69 117.46 117.14 2dkw n PHE 30 Ca -0.01 -1.54 0.07 0.00 -0.05 0.00 0.00 57.45 55.92 2dkw n PHE 30 Cb 0.28 -0.25 -0.15 0.00 -0.94 0.00 0.00 39.48 38.42 2dkw n PHE 30 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2dkw n ASN 31 N -0.66 0.52 0.23 4.37 4.13 -0.24 -4.24 115.26 119.38 2dkw n ASN 31 Ca 0.21 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.63 2dkw n ASN 31 Cb 0.86 1.74 0.62 0.00 -1.54 0.00 0.00 39.78 41.46 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 2dkw h ILE 32 N 0.00 0.00 0.12 2.41 3.07 -1.84 -2.91 117.51 118.35 2dkw h ILE 32 Ca -0.08 -0.41 -0.32 0.00 1.55 0.00 0.00 64.86 65.60 2dkw h ILE 32 Cb 1.10 1.31 -0.01 0.00 -0.27 0.00 0.00 36.82 38.95 2dkw h ILE 32 CO 0.00 0.00 -1.62 -0.26 -1.05 0.00 0.00 178.15 175.23 2dkw h PHE 33 N 0.00 0.44 -0.30 0.16 0.04 -1.92 -3.32 116.94 112.04 2dkw h PHE 33 Ca 0.00 -0.32 0.09 0.00 2.80 0.00 0.00 57.97 60.53 2dkw h PHE 33 Cb 0.46 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 2dkw h PHE 33 CO 0.00 1.42 0.47 1.03 -0.60 0.00 0.00 178.31 180.64 2dkw h SER 34 N 0.07 0.00 -3.12 2.17 0.87 -1.70 -3.37 113.55 108.47 2dkw h SER 34 Ca -0.28 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.65 2dkw h SER 34 Cb 2.03 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.84 2dkw h SER 34 CO 0.15 0.00 -0.73 -0.54 -0.53 0.00 0.00 176.83 175.18 2dkw s LYS 35 N -4.42 2.07 -1.12 2.24 1.02 -1.25 -4.39 119.74 113.89 2dkw s LYS 35 Ca -0.04 -1.22 -0.23 0.00 0.02 0.00 0.00 55.97 54.50 2dkw s LYS 35 Cb 0.13 -2.19 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 2dkw s LYS 35 CO 0.44 0.45 1.94 -1.25 -0.92 0.00 0.00 175.35 176.00 2dkw s PRO 36 N -2.71 2.50 0.46 -1.68 0.04 -1.26 -4.78 135.00 127.57 2dkw s PRO 36 Ca 0.24 -0.98 0.28 0.00 0.04 0.00 0.00 61.00 60.59 2dkw s PRO 36 Cb -0.09 -5.20 1.35 0.00 0.04 0.00 0.00 34.50 30.59 2dkw s PRO 36 CO 0.15 -3.86 1.74 -0.39 0.04 0.00 0.00 177.00 174.68 2dkw h VAL 37 N 6.41 0.38 -2.01 -0.36 -1.51 -1.88 -3.41 116.25 113.87 2dkw h VAL 37 Ca 0.19 -0.06 -0.20 0.00 -1.23 0.00 0.00 66.70 65.40 2dkw h VAL 37 Cb 0.95 0.18 0.12 0.00 -2.13 0.00 0.00 31.29 30.41 2dkw h VAL 37 CO 1.22 0.03 -0.10 -1.20 -1.23 0.00 0.00 177.57 176.29 2dkw n SER 38 N -4.45 -3.12 -0.05 4.19 7.64 -1.26 -4.98 113.62 111.59 2dkw n SER 38 Ca 0.29 -0.49 -0.21 0.00 1.01 0.00 0.00 58.87 59.47 2dkw n SER 38 Cb 1.17 -0.60 -0.13 0.00 -1.01 0.00 0.00 64.21 63.64 2dkw n SER 38 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2dkw h ASP 39 N -2.87 0.20 -3.24 6.43 3.58 -1.94 -3.46 116.42 115.12 2dkw h ASP 39 Ca -0.22 -0.72 -0.47 0.00 0.42 0.00 0.00 57.03 56.03 2dkw h ASP 39 Cb 0.74 -0.06 -0.37 0.00 1.72 0.00 0.00 39.33 41.35 2dkw h ASP 39 CO 0.13 1.60 -0.78 -0.47 -2.88 0.00 0.00 179.24 176.84 2dkw s TYR 40 N -2.44 1.01 -2.00 0.28 6.14 -1.26 -4.99 117.35 114.09 2dkw s TYR 40 Ca -0.25 -0.40 0.15 0.00 0.64 0.00 0.00 57.07 57.21 2dkw s TYR 40 Cb 0.05 -0.97 0.87 0.00 0.42 0.00 0.00 41.96 42.33 2dkw s TYR 40 CO 0.68 -0.39 1.35 1.47 0.64 0.00 0.00 175.55 179.29 2dkw n LEU 41 N 4.98 0.00 -0.09 6.97 -0.00 -1.26 -3.02 117.00 124.58 2dkw n LEU 41 Ca -0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.68 2dkw n LEU 41 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.80 2dkw n LEU 41 CO 0.14 0.00 -1.01 -0.62 -0.00 0.00 0.00 177.39 175.90 2dkw n GLU 42 N -0.84 0.64 0.24 1.47 1.02 -1.26 -4.23 120.64 117.68 2dkw n GLU 42 Ca 0.11 0.33 0.16 0.00 -0.02 0.00 0.00 57.16 57.73 2dkw n GLU 42 Cb 0.05 -1.62 0.86 0.00 -0.02 0.00 0.00 31.44 30.70 2dkw n GLU 42 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2dkw h VAL 43 N -0.52 0.52 -3.66 2.62 3.04 -1.97 -3.42 116.25 112.86 2dkw h VAL 43 Ca -0.51 0.00 -0.52 0.00 -1.01 0.00 0.00 66.70 64.66 2dkw h VAL 43 Cb 1.70 0.91 0.05 0.00 -2.01 0.00 0.00 31.29 31.94 2dkw h VAL 43 CO -0.17 0.00 0.66 -0.63 -1.01 0.00 0.00 177.57 176.42 2dkw s ILE 44 N -4.66 2.86 -0.07 3.17 1.01 -1.25 -4.96 121.20 117.31 2dkw s ILE 44 Ca -0.05 0.79 -0.27 0.00 0.00 0.00 0.00 60.65 61.13 2dkw s ILE 44 Cb 0.15 -3.50 -0.22 0.00 0.01 0.00 0.00 42.46 38.89 2dkw s ILE 44 CO 0.56 0.16 1.07 0.11 0.00 0.00 0.00 174.94 176.84 2dkw h LYS 45 N 4.19 0.02 -2.95 2.79 1.79 -1.92 -3.39 116.57 117.09 2dkw h LYS 45 Ca -0.47 -0.02 -0.61 0.00 -2.18 0.00 0.00 60.65 57.37 2dkw h LYS 45 Cb 1.22 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.46 2dkw h LYS 45 CO 0.71 0.71 -0.65 -1.83 -1.08 0.00 0.00 179.45 177.30 2dkw s GLU 46 N -3.45 2.16 -0.12 3.15 -1.05 -1.26 -5.08 118.70 113.05 2dkw s GLU 46 Ca -0.17 -3.10 -0.29 0.00 -0.15 0.00 0.00 54.97 51.25 2dkw s GLU 46 Cb -0.00 -3.04 -0.04 0.00 -0.44 0.00 0.00 34.13 30.61 2dkw s GLU 46 CO 0.69 -1.30 1.54 -1.25 0.95 0.00 0.00 175.26 175.88 2dkw s PRO 47 N -1.15 4.11 -0.02 -4.83 0.04 -1.26 -5.00 135.00 126.88 2dkw s PRO 47 Ca 0.26 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.24 2dkw s PRO 47 Cb -0.03 -3.94 0.02 0.00 0.04 0.00 0.00 34.50 30.59 2dkw s PRO 47 CO -0.17 -0.91 -0.01 1.41 0.04 0.00 0.00 177.00 177.37 2dkw s MET 48 N 4.03 0.27 0.29 4.56 1.75 -1.26 -5.12 119.30 123.82 2dkw s MET 48 Ca 0.68 0.02 0.03 0.00 -1.25 0.00 0.00 55.69 55.17 2dkw s MET 48 Cb -0.28 -0.39 -0.04 0.00 2.84 0.00 0.00 34.83 36.96 2dkw s MET 48 CO 0.25 -0.07 0.17 0.16 -0.65 0.00 0.00 175.02 174.88 2dkw s ASP 49 N 0.66 1.39 0.37 1.11 -4.77 -1.26 -4.71 116.67 109.46 2dkw s ASP 49 Ca -0.06 -1.56 0.27 0.00 -3.30 0.00 0.00 52.55 47.90 2dkw s ASP 49 Cb -0.09 0.40 0.94 0.00 -1.09 0.00 0.00 42.92 43.08 2dkw s ASP 49 CO -0.01 -0.90 1.79 -0.07 0.70 0.00 0.00 175.17 176.68 2dkw h LEU 50 N 2.25 0.00 0.21 2.11 3.38 -1.77 -3.13 115.31 118.36 2dkw h LEU 50 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2dkw h LEU 50 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2dkw h LEU 50 CO 0.50 0.00 -0.10 -1.28 0.09 0.00 0.00 178.44 177.65 2dkw h SER 51 N 0.00 -0.24 0.08 -0.43 0.87 -1.91 -2.95 113.55 108.98 2dkw h SER 51 Ca 0.00 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2dkw h SER 51 Cb 0.61 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2dkw h SER 51 CO 0.00 0.28 -0.02 0.00 -0.53 0.00 0.00 176.83 176.55 2dkw h THR 52 N -0.88 0.48 -0.15 2.23 1.03 -1.94 -2.36 112.91 111.31 2dkw h THR 52 Ca -0.03 -0.11 -0.05 0.00 -0.01 0.00 0.00 66.41 66.21 2dkw h THR 52 Cb 0.51 1.08 -0.00 0.00 -1.07 0.00 0.00 68.15 68.66 2dkw h THR 52 CO 0.05 0.02 -0.10 0.58 -0.01 0.00 0.00 175.52 176.06 2dkw h VAL 53 N 0.00 1.32 0.54 0.00 2.07 -1.53 -1.95 116.25 116.70 2dkw h VAL 53 Ca -0.00 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 2dkw h VAL 53 Cb 0.07 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2dkw h VAL 53 CO 0.00 0.35 -0.36 0.40 0.02 0.00 0.00 177.57 177.98 2dkw h ILE 54 N -0.00 0.26 0.10 4.57 2.04 -1.24 -2.62 117.51 120.61 2dkw h ILE 54 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 2dkw h ILE 54 Cb 0.59 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2dkw h ILE 54 CO 0.03 0.00 -0.30 0.74 0.00 0.00 0.00 178.15 178.62 2dkw h THR 55 N -0.87 0.35 -0.96 -0.27 2.02 -1.61 -2.34 112.91 109.25 2dkw h THR 55 Ca -0.06 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.34 2dkw h THR 55 Cb 0.72 0.35 -0.18 0.00 -1.74 0.00 0.00 68.15 67.30 2dkw h THR 55 CO 0.04 0.00 -0.14 0.11 0.37 0.00 0.00 175.52 175.91 2dkw h LYS 56 N -0.51 0.01 -0.94 6.66 1.57 -1.29 1.18 116.57 123.25 2dkw h LYS 56 Ca 0.04 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 2dkw h LYS 56 Cb 0.55 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.77 2dkw h LYS 56 CO -0.19 0.01 0.60 0.82 -0.57 0.00 0.00 179.45 180.12 2dkw h ILE 57 N 0.01 0.79 -0.00 1.86 2.04 -1.03 0.50 117.51 121.68 2dkw h ILE 57 Ca 0.50 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2dkw h ILE 57 Cb 0.88 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2dkw h ILE 57 CO -0.95 0.13 -0.20 -0.67 0.00 0.00 0.00 178.15 176.47 2dkw n ASP 58 N -4.61 0.40 -1.61 1.72 2.03 0.39 -3.40 116.55 111.47 2dkw n ASP 58 Ca 0.19 -0.24 0.09 0.00 0.52 0.00 0.00 54.79 55.36 2dkw n ASP 58 Cb 0.52 -0.08 0.36 0.00 -0.72 0.00 0.00 41.12 41.20 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 -1.22 3.85 -2.92 -0.67 4.76 0.17 -4.92 118.16 117.21 2dkw n LYS 59 Ca 0.10 -2.92 -0.22 0.00 -2.87 0.00 0.00 58.31 52.40 2dkw n LYS 59 Cb 0.31 -1.93 0.02 0.00 -1.84 0.00 0.00 35.03 31.59 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 1.05 -1.75 -0.05 2.13 8.25 -1.00 -4.91 115.22 118.94 2dkw n HIS 60 Ca 0.26 0.40 -0.01 0.00 -0.26 0.00 0.00 57.72 58.11 2dkw n HIS 60 Cb 0.92 -4.13 -0.00 0.00 1.12 0.00 0.00 29.99 27.91 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 -1.02 0.00 -2.97 0.41 -0.26 -1.60 -3.43 115.58 106.71 2dkw h ASN 61 Ca -0.50 0.00 -0.55 0.00 -0.56 0.00 0.00 56.30 54.69 2dkw h ASN 61 Cb 1.35 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.55 2dkw h ASN 61 CO 0.56 0.51 1.07 -0.31 -1.06 0.00 0.00 177.43 178.19 2dkw s TYR 62 N -1.62 2.38 -2.77 1.19 2.02 -1.26 -4.83 117.35 112.47 2dkw s TYR 62 Ca -0.02 0.49 0.24 0.00 -0.37 0.00 0.00 57.07 57.40 2dkw s TYR 62 Cb 0.00 -4.41 0.34 0.00 -0.40 0.00 0.00 41.96 37.49 2dkw s TYR 62 CO 0.03 -1.88 1.35 1.47 -1.57 0.00 0.00 175.55 174.95 2dkw n LEU 63 N 9.22 3.07 -4.01 -1.29 -0.00 -1.26 -4.89 117.00 117.83 2dkw n LEU 63 Ca 0.12 -1.15 -0.08 0.00 -0.00 0.00 0.00 56.01 54.90 2dkw n LEU 63 Cb 0.49 -0.10 -0.09 0.00 -0.00 0.00 0.00 43.42 43.72 2dkw n LEU 63 CO 0.71 0.58 -0.27 0.42 -0.00 0.00 0.00 177.39 178.82 2dkw s THR 64 N -1.81 0.19 0.03 1.47 -4.23 -1.26 -4.39 115.64 105.64 2dkw s THR 64 Ca 0.33 -1.58 -0.18 0.00 -1.18 0.00 0.00 61.69 59.08 2dkw s THR 64 Cb 0.21 -1.43 -0.24 0.00 1.34 0.00 0.00 72.50 72.38 2dkw s THR 64 CO 0.31 -0.87 1.12 0.00 -0.54 0.00 0.00 174.62 174.63 2dkw h ALA 65 N 3.06 0.08 -0.65 3.99 0.00 -1.92 -3.21 119.26 120.61 2dkw h ALA 65 Ca -0.34 -0.63 0.06 0.00 0.00 0.00 0.00 54.91 54.01 2dkw h ALA 65 Cb 1.16 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2dkw h ALA 65 CO 0.62 0.48 0.35 -0.22 0.00 0.00 0.00 179.25 180.48 2dkw h LYS 66 N 0.06 0.62 0.17 0.00 1.63 -1.97 -2.65 116.57 114.43 2dkw h LYS 66 Ca -0.10 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2dkw h LYS 66 Cb 1.49 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.95 2dkw h LYS 66 CO 0.16 0.41 -0.27 -0.44 -3.45 0.00 0.00 179.45 175.86 2dkw h ASP 67 N 0.64 -0.74 -0.83 4.20 5.19 -1.99 -1.22 116.42 121.67 2dkw h ASP 67 Ca 0.30 0.08 0.20 0.00 -0.62 0.00 0.00 57.03 56.99 2dkw h ASP 67 Cb 0.21 0.27 -0.15 0.00 0.18 0.00 0.00 39.33 39.85 2dkw h ASP 67 CO -0.20 -0.37 0.02 0.15 -3.12 0.00 0.00 179.24 175.73 2dkw h PHE 68 N -0.51 -0.04 0.36 4.55 3.57 -1.47 -0.80 116.94 122.61 2dkw h PHE 68 Ca 0.02 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2dkw h PHE 68 Cb 0.51 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2dkw h PHE 68 CO -0.22 -0.29 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.33 2dkw h LEU 69 N 0.09 -0.41 -0.79 0.59 3.38 -1.23 -3.02 115.31 113.91 2dkw h LEU 69 Ca 0.47 -0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.56 2dkw h LEU 69 Cb 0.86 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 2dkw h LEU 69 CO -0.73 -0.16 -0.02 0.29 0.09 0.00 0.00 178.44 177.91 2dkw n LYS 70 N -5.23 -0.06 -0.17 1.13 5.02 -0.33 0.21 118.16 118.72 2dkw n LYS 70 Ca -0.10 1.19 -0.08 0.00 -2.02 0.00 0.00 58.31 57.29 2dkw n LYS 70 Cb 0.25 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.41 2dkw n LYS 70 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dkw h ASP 71 N 0.00 0.70 -0.73 4.39 5.19 -1.37 -2.51 116.42 122.09 2dkw h ASP 71 Ca 0.46 -0.18 0.14 0.00 -0.62 0.00 0.00 57.03 56.84 2dkw h ASP 71 Cb 0.92 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.20 2dkw h ASP 71 CO -0.75 0.69 0.49 0.40 -3.12 0.00 0.00 179.24 176.95 2dkw h ILE 72 N 0.66 0.80 -0.24 0.35 1.08 0.26 -0.08 117.51 120.35 2dkw h ILE 72 Ca 0.16 -0.13 -0.17 0.00 -0.39 0.00 0.00 64.86 64.33 2dkw h ILE 72 Cb 0.22 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 2dkw h ILE 72 CO -0.01 0.07 -0.53 -0.78 -0.69 0.00 0.00 178.15 176.21 2dkw h ASP 73 N 0.39 0.79 0.08 1.72 1.82 -0.90 -2.96 116.42 117.35 2dkw h ASP 73 Ca 0.36 -0.41 -0.06 0.00 -0.39 0.00 0.00 57.03 56.52 2dkw h ASP 73 Cb 0.83 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 2dkw h ASP 73 CO -0.11 1.17 -0.20 0.25 -1.61 0.00 0.00 179.24 178.74 2dkw h LEU 74 N 0.55 0.22 0.50 2.28 5.85 -0.80 -1.39 115.31 122.52 2dkw h LEU 74 Ca 0.02 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2dkw h LEU 74 Cb 1.10 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2dkw h LEU 74 CO 0.11 0.43 -0.24 0.40 -0.34 0.00 0.00 178.44 178.80 2dkw h ILE 75 N 0.21 0.31 -0.05 4.05 2.04 -1.26 0.25 117.51 123.06 2dkw h ILE 75 Ca 0.04 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2dkw h ILE 75 Cb 0.48 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2dkw h ILE 75 CO 0.03 0.05 0.01 0.00 0.00 0.00 0.00 178.15 178.24 2dkw h SER 77 N 0.07 -0.19 -1.00 0.00 0.02 -1.19 -3.30 113.55 107.97 2dkw h SER 77 Ca 0.02 -0.20 0.40 0.00 -0.84 0.00 0.00 61.79 61.17 2dkw h SER 77 Cb 0.03 0.05 -0.18 0.00 0.14 0.00 0.00 62.40 62.44 2dkw h SER 77 CO -0.00 0.36 0.53 0.78 -1.14 0.00 0.00 176.83 177.36 2dkw h ASN 78 N -1.00 0.32 0.00 3.07 4.21 -0.38 0.42 115.58 122.22 2dkw h ASN 78 Ca -0.02 0.25 0.01 0.00 1.21 0.00 0.00 56.30 57.75 2dkw h ASN 78 Cb 0.37 0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.79 2dkw h ASN 78 CO 0.04 -0.40 -0.37 0.00 -1.29 0.00 0.00 177.43 175.41 2dkw h ALA 79 N 1.98 -0.81 -0.62 -0.83 0.00 -1.59 -0.75 119.26 116.64 2dkw h ALA 79 Ca 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.67 2dkw h ALA 79 Cb 2.14 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 20.72 2dkw h ALA 79 CO -0.75 -0.92 0.37 -0.07 0.00 0.00 0.00 179.25 177.88 2dkw h LEU 80 N -0.46 0.75 -0.88 0.00 3.38 -1.10 -2.58 115.31 114.42 2dkw h LEU 80 Ca 0.01 -0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.13 2dkw h LEU 80 Cb 0.50 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.94 2dkw h LEU 80 CO -0.24 0.59 0.37 -0.33 0.09 0.00 0.00 178.44 178.91 2dkw h GLU 81 N 0.84 0.37 -3.39 1.13 4.39 -0.76 -3.07 114.58 114.09 2dkw h GLU 81 Ca 0.22 -0.02 -0.71 0.00 0.34 0.00 0.00 59.36 59.19 2dkw h GLU 81 Cb -0.02 -0.08 -0.35 0.00 -0.10 0.00 0.00 28.75 28.20 2dkw h GLU 81 CO -0.04 0.25 -0.11 0.71 -1.16 0.00 0.00 179.01 178.66 2dkw s TYR 82 N -5.90 3.83 -0.29 4.33 1.51 -0.33 -4.99 117.35 115.50 2dkw s TYR 82 Ca -0.12 -2.93 -0.20 0.00 -1.01 0.00 0.00 57.07 52.82 2dkw s TYR 82 Cb 0.25 -3.28 0.18 0.00 -0.11 0.00 0.00 41.96 38.99 2dkw s TYR 82 CO 0.78 -0.77 1.21 -0.80 -1.11 0.00 0.00 175.55 174.85 2dkw s ASN 83 N 0.14 -0.22 0.00 2.29 0.01 -1.16 -4.77 114.94 111.22 2dkw s ASN 83 Ca 0.25 0.38 0.14 0.00 -0.71 0.00 0.00 52.86 52.93 2dkw s ASN 83 Cb -0.10 0.81 0.66 0.00 0.41 0.00 0.00 41.25 43.03 2dkw s ASN 83 CO -0.11 -0.06 1.44 -0.81 -1.51 0.00 0.00 177.10 176.05 2dkw n PRO 84 N 2.73 0.08 -3.74 -0.60 -0.04 -1.26 -4.87 135.00 127.29 2dkw n PRO 84 Ca -0.15 0.22 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 2dkw n PRO 84 Cb 0.57 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2dkw n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2dkw n ASP 85 N -1.42 0.11 0.04 3.54 5.68 -1.26 -4.69 116.55 118.55 2dkw n ASP 85 Ca 0.05 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 2dkw n ASP 85 Cb 0.15 -1.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.01 2dkw n ASP 85 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dkw n LYS 86 N -3.38 0.00 -1.41 0.11 5.02 -1.26 -5.01 118.16 112.23 2dkw n LYS 86 Ca -0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.80 2dkw n LYS 86 Cb 0.44 -0.28 0.10 0.00 -0.02 0.00 0.00 35.03 35.27 2dkw n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dkw n ASP 87 N -3.06 1.44 -4.57 4.39 9.92 -1.26 -4.88 116.55 118.52 2dkw n ASP 87 Ca 0.00 0.70 -0.41 0.00 -0.53 0.00 0.00 54.79 54.56 2dkw n ASP 87 Cb 0.17 -1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 39.10 2dkw n ASP 87 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2dkw s PRO 88 N -3.70 2.99 0.00 -0.24 0.04 -1.26 -3.49 135.00 129.34 2dkw s PRO 88 Ca 0.78 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2dkw s PRO 88 Cb -0.34 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.93 2dkw s PRO 88 CO 0.46 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.63 2dkw n GLY 89 N 5.53 2.57 0.28 0.56 0.00 -1.26 -4.96 105.19 107.91 2dkw n GLY 89 Ca 0.21 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.08 2dkw n GLY 89 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dkw h ASP 90 N 0.39 0.00 -0.63 1.61 1.82 -1.94 -2.33 116.42 115.34 2dkw h ASP 90 Ca 0.00 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.82 2dkw h ASP 90 Cb 0.00 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 2dkw h ASP 90 CO 0.00 0.05 0.71 0.11 -1.61 0.00 0.00 179.24 178.50 2dkw h LYS 91 N 0.00 0.00 0.13 0.28 1.79 -1.93 0.50 116.57 117.34 2dkw h LYS 91 Ca -0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 2dkw h LYS 91 Cb 0.13 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2dkw h LYS 91 CO 0.01 0.00 -1.57 0.82 -1.08 0.00 0.00 179.45 177.63 2dkw h ILE 92 N 0.00 1.12 -0.32 1.86 5.03 -1.84 -3.26 117.51 120.11 2dkw h ILE 92 Ca 0.30 -2.74 0.07 0.00 -0.12 0.00 0.00 64.86 62.37 2dkw h ILE 92 Cb 1.72 2.76 -0.07 0.00 -3.03 0.00 0.00 36.82 38.20 2dkw h ILE 92 CO -0.00 0.82 -0.16 0.40 -0.68 0.00 0.00 178.15 178.53 2dkw h ILE 93 N 0.08 0.52 0.00 -0.67 1.08 -0.13 0.38 117.51 118.76 2dkw h ILE 93 Ca -0.26 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2dkw h ILE 93 Cb 2.03 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.31 2dkw h ILE 93 CO 0.17 0.00 0.00 -2.11 -0.69 0.00 0.00 178.15 175.52 2dkw n ARG 94 N -5.33 0.12 0.03 2.37 1.85 -1.11 -1.42 116.66 113.18 2dkw n ARG 94 Ca 0.01 0.31 -0.22 0.00 -1.00 0.00 0.00 57.85 56.95 2dkw n ARG 94 Cb 0.24 -1.71 -0.14 0.00 -1.05 0.00 0.00 32.46 29.81 2dkw n ARG 94 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2dkw h HIS 95 N 0.00 0.57 0.02 2.89 2.76 -0.58 -3.38 115.15 117.43 2dkw h HIS 95 Ca 0.00 -0.42 -0.06 0.00 -2.20 0.00 0.00 60.37 57.69 2dkw h HIS 95 Cb 0.36 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.31 2dkw h HIS 95 CO 0.00 1.68 -0.24 0.00 -1.30 0.00 0.00 177.93 178.07 2dkw h ARG 96 N -0.03 0.13 -0.76 5.26 2.47 -0.31 -3.31 114.38 117.82 2dkw h ARG 96 Ca -0.36 -0.16 0.21 0.00 -1.26 0.00 0.00 59.98 58.41 2dkw h ARG 96 Cb 1.98 0.05 -0.14 0.00 -1.65 0.00 0.00 29.97 30.21 2dkw h ARG 96 CO 0.11 0.97 0.01 0.00 0.56 0.00 0.00 179.97 181.63 2dkw n ALA 97 N -2.57 0.38 -0.18 0.04 0.00 -0.50 0.22 120.51 117.90 2dkw n ALA 97 Ca -0.10 0.82 -0.09 0.00 0.00 0.00 0.00 53.44 54.07 2dkw n ALA 97 Cb 0.53 -0.59 0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 0.68 0.96 -0.73 0.00 2.02 0.26 -0.10 112.91 115.99 2dkw h THR 99 Ca 0.16 -0.29 0.10 0.00 0.77 0.00 0.00 66.41 67.15 2dkw h THR 99 Cb 0.29 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 2dkw h THR 99 CO -0.00 0.07 0.37 0.25 0.37 0.00 0.00 175.52 176.57 2dkw h LEU 100 N -0.29 0.47 0.70 2.58 5.85 -0.84 0.23 115.31 124.01 2dkw h LEU 100 Ca -0.02 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2dkw h LEU 100 Cb 0.24 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.26 2dkw h LEU 100 CO 0.03 0.27 -0.34 0.50 -0.34 0.00 0.00 178.44 178.56 2dkw h LYS 101 N 0.61 -0.91 -0.73 1.25 3.64 -1.22 -0.05 116.57 119.18 2dkw h LYS 101 Ca 0.36 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.94 2dkw h LYS 101 Cb 0.39 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 32.32 2dkw h LYS 101 CO -0.28 -0.59 0.25 0.22 -2.27 0.00 0.00 179.45 176.79 2dkw h ASP 102 N -1.21 0.19 0.33 4.20 3.58 -0.80 0.15 116.42 122.86 2dkw h ASP 102 Ca -0.10 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2dkw h ASP 102 Cb 0.74 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2dkw h ASP 102 CO 0.16 0.07 -0.16 0.74 -2.88 0.00 0.00 179.24 177.16 2dkw h THR 103 N 0.38 0.69 -0.37 2.25 2.02 -0.54 0.27 112.91 117.62 2dkw h THR 103 Ca 0.40 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 67.37 2dkw h THR 103 Cb 0.62 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 2dkw h THR 103 CO -0.42 0.05 0.05 0.00 0.37 0.00 0.00 175.52 175.57 2dkw h ALA 104 N 0.03 0.38 -0.54 6.16 0.00 -0.36 0.16 119.26 125.09 2dkw h ALA 104 Ca -0.05 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2dkw h ALA 104 Cb 0.43 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2dkw h ALA 104 CO 0.08 -0.36 -0.01 0.45 0.00 0.00 0.00 179.25 179.41 2dkw h HIS 105 N 0.16 1.00 -0.31 0.00 -0.00 -0.68 -2.29 115.15 113.04 2dkw h HIS 105 Ca 0.18 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 2dkw h HIS 105 Cb 0.23 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 2dkw h HIS 105 CO -0.21 0.91 0.09 0.00 -0.00 0.00 0.00 177.93 178.71 2dkw h ALA 106 N 1.13 0.40 -0.49 2.45 0.00 0.35 0.09 119.26 123.19 2dkw h ALA 106 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dkw h ALA 106 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2dkw h ALA 106 CO 0.03 0.04 0.31 0.82 0.00 0.00 0.00 179.25 180.45 2dkw h ILE 107 N 0.33 1.14 0.52 0.00 2.04 -0.59 0.51 117.51 121.46 2dkw h ILE 107 Ca 0.10 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2dkw h ILE 107 Cb 0.26 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2dkw h ILE 107 CO -0.00 0.13 -0.25 0.40 0.00 0.00 0.00 178.15 178.43 2dkw h ILE 108 N 0.66 0.36 -0.92 -0.67 1.08 -1.31 0.11 117.51 116.82 2dkw h ILE 108 Ca 0.18 -0.40 0.15 0.00 -0.39 0.00 0.00 64.86 64.40 2dkw h ILE 108 Cb -0.05 0.49 -0.08 0.00 -3.07 0.00 0.00 36.82 34.12 2dkw h ILE 108 CO -0.04 0.05 0.59 0.00 -0.69 0.00 0.00 178.15 178.06 2dkw h ALA 109 N -0.68 1.83 0.25 1.87 0.00 -0.95 1.34 119.26 122.93 2dkw h ALA 109 Ca -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2dkw h ALA 109 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2dkw h ALA 109 CO 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 179.25 179.15 2dkw h ALA 110 N 1.60 -0.34 0.29 0.00 0.00 -0.81 -3.39 119.26 116.61 2dkw h ALA 110 Ca 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2dkw h ALA 110 Cb 0.77 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dkw h ALA 110 CO -0.23 -0.40 -0.14 0.93 0.00 0.00 0.00 179.25 179.41 2dkw h GLU 111 N -0.91 -0.37 -6.08 0.00 5.08 -0.38 -3.46 114.58 108.46 2dkw h GLU 111 Ca -0.03 0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 2dkw h GLU 111 Cb 0.50 0.08 0.24 0.00 0.50 0.00 0.00 28.75 30.08 2dkw h GLU 111 CO 0.06 -0.25 -2.03 -0.11 -1.00 0.00 0.00 179.01 175.68 2dkw n LEU 112 N -4.00 -4.55 -4.14 1.33 7.94 0.46 -5.01 117.00 109.03 2dkw n LEU 112 Ca -0.05 0.12 -0.09 0.00 -1.11 0.00 0.00 56.01 54.88 2dkw n LEU 112 Cb 0.15 -0.72 -0.10 0.00 0.53 0.00 0.00 43.42 43.29 2dkw n LEU 112 CO 0.11 -4.65 -0.37 -1.81 -1.11 0.00 0.00 177.39 169.56 2dkw s ASP 113 N -1.10 0.86 0.13 1.96 1.11 -1.26 -4.82 116.67 113.54 2dkw s ASP 113 Ca 0.41 -1.01 0.19 0.00 0.18 0.00 0.00 52.55 52.31 2dkw s ASP 113 Cb -0.09 0.14 0.79 0.00 1.07 0.00 0.00 42.92 44.84 2dkw s ASP 113 CO 0.76 -0.53 1.58 -0.81 1.18 0.00 0.00 175.17 177.35 2dkw n PRO 114 N 0.01 0.10 -0.07 8.23 -0.04 -1.26 -1.65 135.00 140.32 2dkw n PRO 114 Ca -0.13 0.34 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 2dkw n PRO 114 Cb 0.61 -1.69 -0.15 0.00 -0.04 0.00 0.00 33.50 32.23 2dkw n PRO 114 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dkw n GLU 115 N -1.87 0.66 0.04 0.54 1.02 -1.26 -3.39 120.64 116.39 2dkw n GLU 115 Ca 0.03 0.12 -0.06 0.00 -0.02 0.00 0.00 57.16 57.22 2dkw n GLU 115 Cb 0.20 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 29.86 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dkw h PHE 116 N 0.00 0.00 0.13 -0.32 3.57 -1.91 -3.12 116.94 115.29 2dkw h PHE 116 Ca -0.43 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 60.79 2dkw h PHE 116 Cb 2.14 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.89 2dkw h PHE 116 CO 0.00 0.95 -1.24 -0.97 -2.23 0.00 0.00 178.31 174.82 2dkw h ASN 117 N 0.00 0.44 0.59 0.41 -1.24 -1.50 -2.74 115.58 111.54 2dkw h ASN 117 Ca -0.09 -0.46 -0.09 0.00 0.71 0.00 0.00 56.30 56.36 2dkw h ASN 117 Cb 1.80 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.70 2dkw h ASN 117 CO 0.11 1.36 -0.45 0.07 -1.29 0.00 0.00 177.43 177.23 2dkw h LYS 118 N 0.08 0.00 0.07 6.67 2.10 -1.66 -3.12 116.57 120.71 2dkw h LYS 118 Ca -0.13 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2dkw h LYS 118 Cb 1.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.29 2dkw h LYS 118 CO 0.20 0.45 -0.03 -0.07 -2.00 0.00 0.00 179.45 178.00 2dkw h LEU 119 N 0.00 -0.07 -0.90 7.07 3.38 -1.59 -2.42 115.31 120.78 2dkw h LEU 119 Ca -0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2dkw h LEU 119 Cb 0.86 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 2dkw h LEU 119 CO 0.06 0.31 0.06 0.00 0.09 0.00 0.00 178.44 178.96 2dkw h GLU 121 N 0.00 0.37 -1.08 0.00 4.11 -1.67 -3.20 114.58 113.11 2dkw h GLU 121 Ca 0.57 -0.30 0.35 0.00 0.07 0.00 0.00 59.36 60.04 2dkw h GLU 121 Cb 1.21 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 2dkw h GLU 121 CO -0.83 0.95 0.65 1.49 0.07 0.00 0.00 179.01 181.33 2dkw h GLU 122 N 0.25 0.25 -0.20 1.06 4.57 0.31 0.69 114.58 121.51 2dkw h GLU 122 Ca -0.03 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.94 2dkw h GLU 122 Cb 1.31 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2dkw h GLU 122 CO 0.12 0.16 -0.66 0.82 -1.18 0.00 0.00 179.01 178.28 2dkw h ILE 123 N 0.26 1.29 0.34 2.32 2.04 -1.51 -2.98 117.51 119.28 2dkw h ILE 123 Ca 0.75 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 2dkw h ILE 123 Cb 1.90 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2dkw h ILE 123 CO -0.53 0.60 -0.19 0.50 0.00 0.00 0.00 178.15 178.52 2dkw h LYS 124 N 0.54 -0.48 0.23 2.37 3.64 0.25 -1.87 116.57 121.25 2dkw h LYS 124 Ca -0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2dkw h LYS 124 Cb 1.26 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2dkw h LYS 124 CO 0.13 -0.32 -0.35 0.93 -2.27 0.00 0.00 179.45 177.57 2dkw h GLU 125 N -0.50 -0.59 -0.93 1.90 5.08 -1.32 -2.24 114.58 115.97 2dkw h GLU 125 Ca -0.04 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 2dkw h GLU 125 Cb 0.40 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 29.63 2dkw h GLU 125 CO 0.05 -0.40 0.30 1.03 -1.00 0.00 0.00 179.01 179.00 2dkw h SER 126 N -0.62 0.06 -3.95 1.42 0.87 -1.53 -3.48 113.55 106.32 2dkw h SER 126 Ca -0.03 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2dkw h SER 126 Cb 0.56 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2dkw h SER 126 CO -0.11 -0.21 -0.59 0.61 -0.53 0.00 0.00 176.83 175.99 2dkw n GLY 127 N -1.37 -3.72 0.17 5.77 0.00 -0.70 -1.40 105.19 103.94 2dkw n GLY 127 Ca 0.25 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 0.38 0.00 0.11 1.61 0.13 -1.87 0.69 132.00 133.05 2dkw h PRO 128 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2dkw h PRO 128 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2dkw h PRO 128 CO 0.00 0.47 -0.05 1.03 -0.23 0.00 0.00 178.00 179.21 2dkw h SER 129 N 0.00 -0.12 0.16 1.44 0.87 -1.99 -3.37 113.55 110.53 2dkw h SER 129 Ca -0.00 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2dkw h SER 129 Cb 0.85 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2dkw h SER 129 CO 0.06 0.39 -0.07 -1.28 -0.53 0.00 0.00 176.83 175.40 2dkw h SER 130 N -1.03 -0.18 0.00 6.23 0.87 -1.71 -3.55 113.55 114.19 2dkw h SER 130 Ca -0.01 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2dkw h SER 130 Cb 0.17 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2dkw h SER 130 CO 0.02 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.03