#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpj n ASN -1 N 0.00 -5.37 0.00 6.43 3.02 -1.26 -5.03 115.26 113.05 3dpj n ASN -1 Ca 0.00 0.02 0.16 0.00 -0.03 0.00 0.00 54.58 54.73 3dpj n ASN -1 Cb 0.00 -4.43 0.91 0.00 -0.61 0.00 0.00 39.78 35.65 3dpj n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dpj n ALA 0 N -1.64 2.65 0.00 5.41 0.00 -1.26 -3.69 120.51 121.98 3dpj n ALA 0 Ca -0.22 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3dpj n ALA 0 Cb 0.66 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3dpj n ALA 0 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3dpj n VAL 2 N -1.01 0.00 0.24 0.00 3.14 -1.26 -4.84 118.33 114.60 3dpj n VAL 2 Ca 0.23 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.73 3dpj n VAL 2 Cb 0.11 0.00 0.59 0.00 -1.06 0.00 0.00 33.84 33.48 3dpj n VAL 2 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 3dpj h GLN 3 N 0.00 0.00 0.00 1.45 -0.00 -1.96 1.09 115.11 115.69 3dpj h GLN 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3dpj h GLN 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3dpj h GLN 3 CO 0.00 0.16 -0.14 0.00 -0.00 0.00 0.00 178.83 178.86 3dpj h ALA 4 N 1.84 0.92 0.00 0.06 0.00 -1.88 0.61 119.26 120.81 3dpj h ALA 4 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dpj h ALA 4 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dpj h ALA 4 CO 0.02 0.00 -1.56 1.04 0.00 0.00 0.00 179.25 178.75 3dpj n GLN 5 N -2.66 0.41 0.06 0.00 6.02 -0.62 -3.11 117.38 117.48 3dpj n GLN 5 Ca 0.04 -0.11 -0.13 0.00 -0.01 0.00 0.00 57.00 56.80 3dpj n GLN 5 Cb 0.49 -1.53 -0.09 0.00 1.02 0.00 0.00 30.24 30.13 3dpj n GLN 5 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3dpj h THR 6 N 0.00 1.02 -0.48 5.09 2.02 0.14 -2.81 112.91 117.89 3dpj h THR 6 Ca 0.00 -0.92 0.10 0.00 0.77 0.00 0.00 66.41 66.36 3dpj h THR 6 Cb 0.81 1.56 -0.10 0.00 -1.74 0.00 0.00 68.15 68.69 3dpj h THR 6 CO 0.00 0.21 -0.17 -0.09 0.37 0.00 0.00 175.52 175.84 3dpj h ARG 7 N -0.64 -0.06 -0.83 6.66 2.43 -1.02 -1.68 114.38 119.23 3dpj h ARG 7 Ca -0.02 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 3dpj h ARG 7 Cb 0.49 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.97 3dpj h ARG 7 CO 0.03 -0.04 0.44 -0.44 -1.51 0.00 0.00 179.97 178.46 3dpj h ASP 8 N -0.06 0.58 -0.84 -3.80 3.32 -1.59 0.49 116.42 114.52 3dpj h ASP 8 Ca 0.23 0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.46 3dpj h ASP 8 Cb 0.42 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 3dpj h ASP 8 CO -0.53 0.29 0.55 1.56 -1.72 0.00 0.00 179.24 179.39 3dpj h GLN 9 N 0.69 0.73 0.16 3.56 4.20 -1.03 1.00 115.11 124.42 3dpj h GLN 9 Ca 0.43 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 3dpj h GLN 9 Cb 0.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3dpj h GLN 9 CO -0.31 0.48 -0.08 0.82 -0.67 0.00 0.00 178.83 179.08 3dpj h ILE 10 N 0.75 0.97 -0.41 2.54 5.03 -0.66 0.22 117.51 125.96 3dpj h ILE 10 Ca 0.40 -0.74 -0.07 0.00 -0.12 0.00 0.00 64.86 64.32 3dpj h ILE 10 Cb 0.51 1.41 -0.02 0.00 -3.03 0.00 0.00 36.82 35.70 3dpj h ILE 10 CO -0.16 0.17 -0.04 0.58 -0.68 0.00 0.00 178.15 178.01 3dpj h VAL 11 N -0.59 1.24 0.25 1.67 2.07 -0.56 0.22 116.25 120.55 3dpj h VAL 11 Ca -0.02 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3dpj h VAL 11 Cb 0.44 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3dpj h VAL 11 CO 0.04 0.34 -0.12 0.00 0.02 0.00 0.00 177.57 177.85 3dpj h ALA 12 N 1.32 -0.34 -0.70 1.67 0.00 1.00 0.06 119.26 122.26 3dpj h ALA 12 Ca 0.12 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.00 3dpj h ALA 12 Cb 0.46 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 3dpj h ALA 12 CO 0.02 -0.53 0.18 0.00 0.00 0.00 0.00 179.25 178.92 3dpj h ALA 13 N -0.04 0.90 -0.61 0.00 0.00 -0.32 -2.15 119.26 117.04 3dpj h ALA 13 Ca -0.03 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3dpj h ALA 13 Cb 0.47 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3dpj h ALA 13 CO 0.06 -0.31 0.06 0.00 0.00 0.00 0.00 179.25 179.05 3dpj h ALA 14 N 1.57 0.81 -0.59 0.00 0.00 -0.52 -2.52 119.26 118.01 3dpj h ALA 14 Ca 0.39 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3dpj h ALA 14 Cb 0.63 -0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 3dpj h ALA 14 CO -0.47 0.60 -0.45 0.22 0.00 0.00 0.00 179.25 179.15 3dpj h ASP 15 N 0.94 -1.55 -0.25 0.00 3.58 -0.30 0.34 116.42 119.17 3dpj h ASP 15 Ca 0.18 0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.83 3dpj h ASP 15 Cb 0.48 0.70 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 3dpj h ASP 15 CO 0.02 -0.34 -0.05 -0.08 -2.88 0.00 0.00 179.24 175.92 3dpj h GLU 16 N -0.23 0.47 -0.72 0.28 4.57 -1.44 -2.81 114.58 114.71 3dpj h GLU 16 Ca 0.17 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3dpj h GLU 16 Cb 0.56 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3dpj h GLU 16 CO -0.70 0.68 0.24 -0.07 -1.18 0.00 0.00 179.01 177.98 3dpj h LEU 17 N 0.22 1.03 -0.92 1.64 3.38 -1.14 -0.55 115.31 118.97 3dpj h LEU 17 Ca 0.06 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3dpj h LEU 17 Cb 0.50 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3dpj h LEU 17 CO 0.02 0.96 0.60 -0.26 0.09 0.00 0.00 178.44 179.85 3dpj h PHE 18 N 1.05 1.14 0.08 1.13 0.04 -0.33 0.13 116.94 120.19 3dpj h PHE 18 Ca 0.23 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 3dpj h PHE 18 Cb 0.28 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3dpj h PHE 18 CO 0.02 0.68 -0.04 -0.92 -0.60 0.00 0.00 178.31 177.46 3dpj h TYR 19 N 1.20 -0.11 -0.45 -0.55 3.20 -1.14 0.43 116.97 119.56 3dpj h TYR 19 Ca 0.35 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.13 3dpj h TYR 19 Cb -0.07 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3dpj h TYR 19 CO -0.01 0.30 -0.07 0.00 -1.64 0.00 0.00 178.16 176.75 3dpj h ARG 20 N -0.54 0.84 0.00 1.82 3.08 -1.00 -3.36 114.38 115.22 3dpj h ARG 20 Ca -0.01 -0.30 -0.34 0.00 0.07 0.00 0.00 59.98 59.39 3dpj h ARG 20 Cb 0.45 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 3dpj h ARG 20 CO 0.02 0.93 -2.31 1.04 -1.07 0.00 0.00 179.97 178.58 3dpj n GLN 21 N -4.31 0.84 0.00 0.04 6.02 0.46 -4.96 117.38 115.48 3dpj n GLN 21 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3dpj n GLN 21 Cb 0.35 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3dpj n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dpj n GLY 22 N 1.80 2.06 0.08 1.08 0.00 0.15 -4.60 105.19 105.76 3dpj n GLY 22 Ca -0.31 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.56 3dpj n GLY 22 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dpj h PHE 23 N 0.00 0.01 -0.79 1.61 3.57 -1.89 -3.08 116.94 116.37 3dpj h PHE 23 Ca 0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.65 3dpj h PHE 23 Cb 0.00 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 3dpj h PHE 23 CO 0.00 1.19 0.32 0.00 -2.23 0.00 0.00 178.31 177.59 3dpj h ALA 24 N -0.18 1.14 -0.26 2.41 0.00 -1.95 -2.95 119.26 117.47 3dpj h ALA 24 Ca -0.13 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3dpj h ALA 24 Cb 1.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3dpj h ALA 24 CO -0.08 -0.23 -0.43 1.96 0.00 0.00 0.00 179.25 180.47 3dpj h GLN 25 N 0.44 0.66 -6.30 0.00 1.08 -1.81 -3.43 115.11 105.74 3dpj h GLN 25 Ca 0.44 -0.35 -0.57 0.00 -1.45 0.00 0.00 58.65 56.72 3dpj h GLN 25 Cb 0.71 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 3dpj h GLN 25 CO -0.43 0.96 1.14 0.99 -0.95 0.00 0.00 178.83 180.54 3dpj s THR 26 N -4.22 3.70 0.40 -0.54 2.01 -1.11 -4.98 115.64 110.89 3dpj s THR 26 Ca -0.08 0.77 0.01 0.00 0.31 0.00 0.00 61.69 62.70 3dpj s THR 26 Cb 0.12 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3dpj s THR 26 CO 0.84 -0.36 0.61 -0.94 -0.69 0.00 0.00 174.62 174.08 3dpj s SER 27 N 4.42 6.02 0.31 3.53 1.04 -1.26 -4.97 113.70 122.80 3dpj s SER 27 Ca 0.71 0.31 0.07 0.00 0.48 0.00 0.00 55.95 57.52 3dpj s SER 27 Cb -0.23 -1.69 0.79 0.00 0.10 0.00 0.00 66.02 64.99 3dpj s SER 27 CO 0.30 -0.53 1.77 -0.26 0.98 0.00 0.00 173.24 175.50 3dpj h PHE 28 N 0.57 1.03 0.00 5.02 -1.00 -1.99 -1.77 116.94 118.81 3dpj h PHE 28 Ca -0.47 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.34 3dpj h PHE 28 Cb 1.24 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.49 3dpj h PHE 28 CO 0.47 0.20 -0.00 0.28 -1.61 0.00 0.00 178.31 177.65 3dpj h VAL 29 N 0.71 1.03 -0.57 -0.55 2.07 -1.98 0.10 116.25 117.06 3dpj h VAL 29 Ca 0.59 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 68.10 3dpj h VAL 29 Cb 0.99 1.10 -0.11 0.00 -1.52 0.00 0.00 31.29 31.75 3dpj h VAL 29 CO -0.39 0.03 -0.43 0.44 0.02 0.00 0.00 177.57 177.24 3dpj h ASP 30 N -0.05 -1.48 0.43 0.57 3.32 -1.72 0.16 116.42 117.65 3dpj h ASP 30 Ca -0.00 0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 3dpj h ASP 30 Cb 0.05 0.67 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3dpj h ASP 30 CO 0.00 -0.33 -0.54 0.40 -1.72 0.00 0.00 179.24 177.05 3dpj h ILE 31 N -0.23 1.38 -0.01 0.35 2.04 -1.04 -1.17 117.51 118.83 3dpj h ILE 31 Ca 0.18 -1.85 -0.21 0.00 1.00 0.00 0.00 64.86 63.98 3dpj h ILE 31 Cb 0.56 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3dpj h ILE 31 CO -0.68 0.54 -0.88 0.77 0.00 0.00 0.00 178.15 177.89 3dpj h SER 32 N 0.10 0.44 -0.04 1.72 4.64 -0.32 -2.07 113.55 118.01 3dpj h SER 32 Ca -0.00 -0.34 -0.12 0.00 -0.47 0.00 0.00 61.79 60.86 3dpj h SER 32 Cb 0.99 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3dpj h SER 32 CO 0.08 1.13 -0.35 0.00 -0.87 0.00 0.00 176.83 176.82 3dpj h ALA 33 N 0.84 0.94 0.40 5.18 0.00 -0.55 0.30 119.26 126.37 3dpj h ALA 33 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3dpj h ALA 33 Cb 1.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3dpj h ALA 33 CO 0.15 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 179.83 3dpj h ALA 34 N 1.17 -0.53 -0.03 0.00 0.00 -1.16 -3.22 119.26 115.49 3dpj h ALA 34 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3dpj h ALA 34 Cb 0.82 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3dpj h ALA 34 CO 0.07 -0.69 -0.51 0.28 0.00 0.00 0.00 179.25 178.40 3dpj h VAL 35 N -0.75 1.36 -3.90 0.00 2.07 -1.37 -3.48 116.25 110.18 3dpj h VAL 35 Ca -0.05 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.61 3dpj h VAL 35 Cb 0.52 1.91 0.08 0.00 -1.52 0.00 0.00 31.29 32.28 3dpj h VAL 35 CO 0.09 0.51 -0.33 0.61 0.02 0.00 0.00 177.57 178.47 3dpj n GLY 36 N -0.03 0.13 3.36 2.17 0.00 0.10 -5.08 105.19 105.84 3dpj n GLY 36 Ca -0.02 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3dpj n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dpj s ILE 37 N -3.15 0.87 0.64 -0.61 -4.36 -1.15 -5.06 121.20 108.38 3dpj s ILE 37 Ca 0.16 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.38 3dpj s ILE 37 Cb -0.02 -2.61 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 3dpj s ILE 37 CO 0.28 -0.09 1.17 -0.94 0.24 0.00 0.00 174.94 175.61 3dpj s SER 38 N -3.36 4.95 0.24 4.36 1.04 -1.26 -4.87 113.70 114.80 3dpj s SER 38 Ca 0.35 2.26 -0.05 0.00 0.48 0.00 0.00 55.95 58.99 3dpj s SER 38 Cb 0.08 -2.58 0.46 0.00 0.10 0.00 0.00 66.02 64.07 3dpj s SER 38 CO 0.13 -1.75 1.69 -0.09 0.98 0.00 0.00 173.24 174.20 3dpj h ARG 39 N 0.37 0.28 -0.24 4.02 9.65 -2.00 -1.95 114.38 124.51 3dpj h ARG 39 Ca -0.49 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.24 3dpj h ARG 39 Cb 1.28 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.79 3dpj h ARG 39 CO 0.53 0.18 -0.41 0.78 2.80 0.00 0.00 179.97 183.86 3dpj h GLY 40 N 0.29 0.61 1.63 2.80 0.00 -1.99 -2.52 103.07 103.88 3dpj h GLY 40 Ca 0.41 -0.61 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 3dpj h GLY 40 CO -0.50 0.56 -0.79 -0.57 0.00 0.00 0.00 176.54 175.23 3dpj h ASN 41 N 0.46 0.43 -0.34 0.19 -0.73 -1.81 -3.07 115.58 110.71 3dpj h ASN 41 Ca 0.04 -0.30 -0.05 0.00 1.87 0.00 0.00 56.30 57.86 3dpj h ASN 41 Cb 0.92 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 3dpj h ASN 41 CO 0.08 1.06 0.02 0.15 -0.37 0.00 0.00 177.43 178.37 3dpj h PHE 42 N 0.22 0.63 0.00 0.67 3.04 -1.29 -3.11 116.94 117.10 3dpj h PHE 42 Ca -0.04 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.81 3dpj h PHE 42 Cb 1.39 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.73 3dpj h PHE 42 CO 0.04 0.68 0.00 1.88 -2.02 0.00 0.00 178.31 178.89 3dpj h TYR 43 N 0.40 0.00 -0.30 0.41 0.05 -1.46 -2.35 116.97 113.72 3dpj h TYR 43 Ca 0.10 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 3dpj h TYR 43 Cb 0.41 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3dpj h TYR 43 CO 0.03 0.00 -0.23 -0.92 -1.05 0.00 0.00 178.16 175.99 3dpj h TYR 44 N 0.00 0.64 0.00 4.88 3.20 -1.46 -3.35 116.97 120.88 3dpj h TYR 44 Ca 0.00 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 3dpj h TYR 44 Cb 0.38 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3dpj h TYR 44 CO 0.00 0.76 -0.25 0.45 -1.64 0.00 0.00 178.16 177.47 3dpj h HIS 45 N 0.50 0.00 -4.19 -3.82 3.86 -1.55 -3.47 115.15 106.48 3dpj h HIS 45 Ca 0.07 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.78 3dpj h HIS 45 Cb 0.68 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.87 3dpj h HIS 45 CO 0.03 0.63 -0.82 -0.06 0.86 0.00 0.00 177.93 178.57 3dpj s PHE 46 N -2.03 1.40 -0.23 2.45 0.08 -1.16 -5.03 117.98 113.47 3dpj s PHE 46 Ca -0.14 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.66 3dpj s PHE 46 Cb -0.00 -0.88 -0.17 0.00 -0.57 0.00 0.00 43.02 41.41 3dpj s PHE 46 CO 0.39 0.01 -0.16 1.63 -0.10 0.00 0.00 175.22 176.99 3dpj n LYS 47 N 2.40 0.66 -4.24 0.44 5.02 -1.26 -4.43 118.16 116.75 3dpj n LYS 47 Ca -0.16 0.11 -0.23 0.00 -2.02 0.00 0.00 58.31 56.01 3dpj n LYS 47 Cb 0.54 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 3dpj n LYS 47 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3dpj s THR 48 N -2.47 3.15 0.35 -0.18 -4.23 -1.26 -4.99 115.64 106.01 3dpj s THR 48 Ca -0.28 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 3dpj s THR 48 Cb 0.08 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 71.22 3dpj s THR 48 CO 0.58 -0.28 1.91 0.11 -0.54 0.00 0.00 174.62 176.41 3dpj h LYS 49 N 1.76 0.51 -0.36 3.99 1.79 -1.99 -3.10 116.57 119.18 3dpj h LYS 49 Ca -0.44 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 57.91 3dpj h LYS 49 Cb 1.25 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 3dpj h LYS 49 CO 0.63 0.50 0.11 -0.44 -1.08 0.00 0.00 179.45 179.17 3dpj h ASP 50 N 0.49 0.52 -0.97 0.86 5.19 -1.99 -1.18 116.42 119.34 3dpj h ASP 50 Ca 0.11 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3dpj h ASP 50 Cb 0.26 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 3dpj h ASP 50 CO 0.00 0.59 0.61 -0.33 -3.12 0.00 0.00 179.24 176.99 3dpj h GLU 51 N 0.43 1.30 -0.21 3.56 5.08 -1.95 -0.83 114.58 121.97 3dpj h GLU 51 Ca 0.12 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3dpj h GLU 51 Cb 0.25 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3dpj h GLU 51 CO -0.00 0.89 -0.26 0.82 -1.00 0.00 0.00 179.01 179.45 3dpj h ILE 52 N 1.33 1.33 0.39 3.13 2.04 -1.44 -2.85 117.51 121.44 3dpj h ILE 52 Ca 0.35 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 3dpj h ILE 52 Cb -0.10 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3dpj h ILE 52 CO -0.07 0.45 -0.48 0.25 0.00 0.00 0.00 178.15 178.30 3dpj h LEU 53 N 0.22 -1.34 -1.70 1.44 5.85 -0.98 0.73 115.31 119.54 3dpj h LEU 53 Ca 0.03 0.12 0.38 0.00 0.84 0.00 0.00 57.88 59.24 3dpj h LEU 53 Cb 0.83 0.46 -0.08 0.00 0.37 0.00 0.00 40.66 42.24 3dpj h LEU 53 CO 0.06 -0.61 0.89 0.00 -0.34 0.00 0.00 178.44 178.44 3dpj h ALA 54 N -0.65 2.92 0.20 1.25 0.00 -1.14 0.39 119.26 122.22 3dpj h ALA 54 Ca -0.04 0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 3dpj h ALA 54 Cb 0.81 0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.74 3dpj h ALA 54 CO -0.12 -1.38 -1.38 0.93 0.00 0.00 0.00 179.25 177.31 3dpj h GLU 55 N 0.12 0.56 -0.50 0.00 4.39 -1.07 -3.23 114.58 114.85 3dpj h GLU 55 Ca 0.69 -0.86 0.09 0.00 0.34 0.00 0.00 59.36 59.62 3dpj h GLU 55 Cb 2.38 0.31 -0.08 0.00 -0.10 0.00 0.00 28.75 31.25 3dpj h GLU 55 CO -0.18 1.41 0.02 0.28 -1.16 0.00 0.00 179.01 179.37 3dpj h VAL 56 N 0.19 0.63 -0.75 3.13 2.07 0.21 -2.03 116.25 119.71 3dpj h VAL 56 Ca -0.22 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3dpj h VAL 56 Cb 2.06 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 3dpj h VAL 56 CO 0.26 0.02 0.34 0.40 0.02 0.00 0.00 177.57 178.61 3dpj h ILE 57 N 0.13 1.25 -0.27 4.57 2.04 -1.31 0.18 117.51 124.11 3dpj h ILE 57 Ca 0.25 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3dpj h ILE 57 Cb 0.37 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3dpj h ILE 57 CO -0.40 0.30 0.03 0.03 0.00 0.00 0.00 178.15 178.11 3dpj h ARG 58 N 1.06 0.44 -0.52 2.37 3.08 -1.53 1.06 114.38 120.34 3dpj h ARG 58 Ca 0.25 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 60.27 3dpj h ARG 58 Cb 0.15 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 3dpj h ARG 58 CO -0.03 0.57 0.11 1.25 -1.07 0.00 0.00 179.97 180.80 3dpj h LEU 59 N 0.25 0.01 -0.12 3.04 5.85 -0.93 1.15 115.31 124.57 3dpj h LEU 59 Ca 0.08 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3dpj h LEU 59 Cb 0.35 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3dpj h LEU 59 CO 0.01 0.03 0.04 0.03 -0.34 0.00 0.00 178.44 178.20 3dpj h ARG 60 N 0.25 0.18 -0.49 1.25 3.08 -0.30 0.13 114.38 118.48 3dpj h ARG 60 Ca 0.26 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.34 3dpj h ARG 60 Cb 0.35 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3dpj h ARG 60 CO -0.33 0.32 0.33 -0.07 -1.07 0.00 0.00 179.97 179.15 3dpj h LEU 61 N 0.00 0.35 0.30 3.04 3.38 0.19 0.19 115.31 122.76 3dpj h LEU 61 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3dpj h LEU 61 Cb 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dpj h LEU 61 CO -0.00 0.22 -0.15 0.00 0.09 0.00 0.00 178.44 178.61 3dpj h ALA 62 N 1.74 -0.62 -0.99 1.53 0.00 0.16 -2.50 119.26 118.58 3dpj h ALA 62 Ca 0.22 -0.09 0.33 0.00 0.00 0.00 0.00 54.91 55.37 3dpj h ALA 62 Cb 0.36 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 3dpj h ALA 62 CO -0.05 -0.59 0.51 0.00 0.00 0.00 0.00 179.25 179.11 3dpj h ARG 63 N -0.69 0.23 0.24 0.00 3.08 -0.50 -0.06 114.38 116.69 3dpj h ARG 63 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3dpj h ARG 63 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3dpj h ARG 63 CO 0.07 0.16 -0.12 1.15 -1.07 0.00 0.00 179.97 180.16 3dpj h THR 64 N 0.24 0.65 -0.53 2.04 2.02 -0.67 -2.97 112.91 113.68 3dpj h THR 64 Ca 0.73 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 67.04 3dpj h THR 64 Cb 1.71 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 3dpj h THR 64 CO -0.65 0.16 0.35 0.00 0.37 0.00 0.00 175.52 175.75 3dpj h ALA 65 N -0.45 1.79 0.00 6.16 0.00 -1.28 0.25 119.26 125.74 3dpj h ALA 65 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dpj h ALA 65 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dpj h ALA 65 CO 0.05 0.13 0.00 0.94 0.00 0.00 0.00 179.25 180.38 3dpj n GLN 66 N -4.47 0.01 0.00 0.00 -0.06 -0.05 -1.71 117.38 111.10 3dpj n GLN 66 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 3dpj n GLN 66 Cb 0.18 -1.01 0.00 0.00 -4.06 0.00 0.00 30.24 25.36 3dpj n GLN 66 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3dpj n LEU 68 N 0.43 0.00 -0.31 1.69 4.77 0.88 -3.08 117.00 121.39 3dpj n LEU 68 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3dpj n LEU 68 Cb 0.00 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.42 3dpj n LEU 68 CO 0.00 0.00 1.22 0.00 -1.33 0.00 0.00 177.39 177.28 3dpj h ALA 69 N 0.00 1.71 0.00 -1.18 0.00 -1.57 0.30 119.26 118.52 3dpj h ALA 69 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dpj h ALA 69 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3dpj h ALA 69 CO 0.00 0.03 0.00 -0.44 0.00 0.00 0.00 179.25 178.84 3dpj h ASP 70 N 0.81 0.00 0.30 0.00 5.19 -1.77 0.29 116.42 121.24 3dpj h ASP 70 Ca 0.48 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.73 3dpj h ASP 70 Cb 0.66 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 3dpj h ASP 70 CO -0.24 0.00 -0.64 -0.50 -3.12 0.00 0.00 179.24 174.74 3dpj h TRP 71 N 0.00 0.42 0.29 4.55 6.55 -0.73 -3.03 115.95 124.01 3dpj h TRP 71 Ca 0.00 -0.17 -0.01 0.00 0.95 0.00 0.00 58.89 59.66 3dpj h TRP 71 Cb 0.56 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.79 3dpj h TRP 71 CO 0.00 0.87 -0.14 0.37 -1.05 0.00 0.00 178.44 178.49 3dpj h GLN 72 N 0.23 -0.38 -0.81 0.49 5.75 -0.27 0.11 115.11 120.23 3dpj h GLN 72 Ca -0.01 0.03 0.18 0.00 -0.15 0.00 0.00 58.65 58.69 3dpj h GLN 72 Cb 1.17 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.75 3dpj h GLN 72 CO 0.10 -0.25 0.55 0.78 -2.65 0.00 0.00 178.83 177.36 3dpj h GLY 73 N -0.48 0.67 -2.98 2.39 0.00 -1.61 1.35 103.07 102.42 3dpj h GLY 73 Ca -0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3dpj h GLY 73 CO 0.07 0.02 0.08 2.41 0.00 0.00 0.00 176.54 179.12 3dpj n THR 74 N -4.47 2.13 -4.84 4.70 -1.04 -1.14 -4.83 114.28 104.79 3dpj n THR 74 Ca 0.16 -1.09 -0.32 0.00 -2.04 0.00 0.00 64.05 60.76 3dpj n THR 74 Cb 0.64 -0.39 -0.17 0.00 -1.82 0.00 0.00 70.33 68.60 3dpj n THR 74 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3dpj s GLY 75 N -0.59 1.35 0.13 3.41 0.00 0.46 -4.93 107.32 107.17 3dpj s GLY 75 Ca 0.40 -1.05 0.11 0.00 0.00 0.00 0.00 44.72 44.18 3dpj s GLY 75 CO 0.11 -0.12 1.19 1.29 0.00 0.00 0.00 173.10 175.57 3dpj h ASP 76 N 7.13 0.00 -4.55 1.64 2.03 -1.87 -3.47 116.42 117.33 3dpj h ASP 76 Ca -0.28 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.06 3dpj h ASP 76 Cb 1.21 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.51 3dpj h ASP 76 CO 0.53 0.82 0.41 -0.94 -1.03 0.00 0.00 179.24 179.03 3dpj s SER 77 N -6.45 -0.47 0.17 4.15 1.04 -1.26 -5.07 113.70 105.81 3dpj s SER 77 Ca 0.01 0.37 -0.22 0.00 0.48 0.00 0.00 55.95 56.59 3dpj s SER 77 Cb 0.09 0.41 0.09 0.00 0.10 0.00 0.00 66.02 66.71 3dpj s SER 77 CO 0.80 -0.53 1.60 -0.65 0.98 0.00 0.00 173.24 175.44 3dpj h PRO 78 N 2.51 -0.20 0.00 4.02 0.11 -1.90 -1.93 132.00 134.61 3dpj h PRO 78 Ca -0.23 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3dpj h PRO 78 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dpj h PRO 78 CO 0.34 -0.13 0.00 -2.13 -0.21 0.00 0.00 178.00 175.86 3dpj n ARG 79 N -5.42 0.00 0.20 1.05 0.63 -1.26 0.88 116.66 112.74 3dpj n ARG 79 Ca 0.02 0.50 0.14 0.00 -0.92 0.00 0.00 57.85 57.59 3dpj n ARG 79 Cb 0.34 -0.75 0.67 0.00 0.45 0.00 0.00 32.46 33.17 3dpj n ARG 79 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dpj h ALA 80 N -0.56 1.00 0.00 5.13 0.00 -1.78 -1.16 119.26 121.90 3dpj h ALA 80 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dpj h ALA 80 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dpj h ALA 80 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.17 3dpj h ARG 81 N 0.00 0.00 -0.64 0.00 3.08 0.11 -1.21 114.38 115.73 3dpj h ARG 81 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 3dpj h ARG 81 Cb 0.21 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.14 3dpj h ARG 81 CO 0.00 0.70 -0.17 0.82 -1.07 0.00 0.00 179.97 180.26 3dpj h ILE 82 N -1.00 0.35 0.00 2.04 2.04 -0.39 0.26 117.51 120.81 3dpj h ILE 82 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3dpj h ILE 82 Cb 0.73 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3dpj h ILE 82 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.14 3dpj n ALA 83 N -3.08 1.40 -0.01 1.87 0.00 -0.46 0.39 120.51 120.62 3dpj n ALA 83 Ca 0.08 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 3dpj n ALA 83 Cb 0.33 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 3dpj n ALA 83 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3dpj h SER 84 N 0.00 0.93 -0.75 0.00 0.02 0.76 -1.63 113.55 112.87 3dpj h SER 84 Ca 0.00 -0.65 0.13 0.00 -0.84 0.00 0.00 61.79 60.44 3dpj h SER 84 Cb 0.22 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.39 3dpj h SER 84 CO 0.00 1.43 0.32 0.15 -1.14 0.00 0.00 176.83 177.58 3dpj h PHE 85 N 0.49 0.55 0.26 3.45 3.57 0.92 -2.69 116.94 123.49 3dpj h PHE 85 Ca -0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3dpj h PHE 85 Cb 1.43 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.05 3dpj h PHE 85 CO 0.09 0.10 -0.13 0.82 -2.23 0.00 0.00 178.31 176.96 3dpj h ILE 86 N 0.48 0.79 0.00 1.41 2.04 -1.18 -3.25 117.51 117.80 3dpj h ILE 86 Ca 0.41 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3dpj h ILE 86 Cb 0.59 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3dpj h ILE 86 CO -0.38 0.11 -0.06 0.44 0.00 0.00 0.00 178.15 178.26 3dpj h ASP 87 N -0.63 0.00 0.00 1.72 3.32 -1.21 -3.37 116.42 116.25 3dpj h ASP 87 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3dpj h ASP 87 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3dpj h ASP 87 CO 0.06 0.06 0.00 -0.11 -1.72 0.00 0.00 179.24 177.53 3dpj n LEU 88 N -3.36 0.00 -0.32 1.55 7.94 -1.02 -4.66 117.00 117.13 3dpj n LEU 88 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3dpj n LEU 88 Cb 0.21 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.16 3dpj n LEU 88 CO 0.27 0.00 0.00 -0.38 -1.11 0.00 0.00 177.39 176.17 3dpj n ILE 90 N 0.82 0.00 0.00 1.96 2.08 -1.26 -4.49 119.36 118.47 3dpj n ILE 90 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3dpj n ILE 90 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3dpj n ILE 90 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3dpj n ASN 92 N 0.24 0.00 0.09 4.38 3.02 -1.26 -4.70 115.26 117.03 3dpj n ASN 92 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 3dpj n ASN 92 Cb 0.01 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 39.76 3dpj n ASN 92 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 3dpj h ARG 93 N 0.00 0.17 0.33 3.52 0.11 -1.94 0.27 114.38 116.84 3dpj h ARG 93 Ca 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 3dpj h ARG 93 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.04 3dpj h ARG 93 CO 0.00 0.11 -0.16 0.00 0.10 0.00 0.00 179.97 180.02 3dpj h ALA 94 N 1.84 -0.44 -0.14 0.08 0.00 -1.98 0.52 119.26 119.13 3dpj h ALA 94 Ca 0.14 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dpj h ALA 94 Cb 0.32 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dpj h ALA 94 CO -0.02 -0.49 0.01 0.87 0.00 0.00 0.00 179.25 179.62 3dpj h LYS 95 N -0.96 0.06 -0.55 0.00 1.57 -1.80 0.13 116.57 115.03 3dpj h LYS 95 Ca -0.05 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3dpj h LYS 95 Cb 0.51 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 3dpj h LYS 95 CO 0.07 0.04 0.18 0.82 -0.57 0.00 0.00 179.45 180.00 3dpj h ILE 96 N 0.07 0.78 -0.46 1.86 2.04 -0.56 0.76 117.51 121.99 3dpj h ILE 96 Ca 0.06 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3dpj h ILE 96 Cb 0.06 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3dpj h ILE 96 CO -0.09 0.06 0.24 0.74 0.00 0.00 0.00 178.15 179.10 3dpj h THR 97 N 0.35 1.15 0.00 -0.27 2.02 -0.03 0.41 112.91 116.53 3dpj h THR 97 Ca 0.27 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3dpj h THR 97 Cb 0.33 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3dpj h THR 97 CO -0.29 0.16 -0.20 -0.09 0.37 0.00 0.00 175.52 175.48 3dpj h ARG 98 N 0.63 0.00 -0.01 6.66 9.65 0.11 -3.38 114.38 128.04 3dpj h ARG 98 Ca 0.16 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3dpj h ARG 98 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 3dpj h ARG 98 CO -0.03 0.97 -0.04 0.66 2.80 0.00 0.00 179.97 184.33 3dpj n TYR 99 N -4.59 0.00 -0.39 2.20 4.01 0.25 -5.06 117.16 113.59 3dpj n TYR 99 Ca -0.13 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.66 3dpj n TYR 99 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 3dpj n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dpj n GLY 100 N 0.75 -1.75 3.71 2.72 0.00 0.14 -4.80 105.19 105.96 3dpj n GLY 100 Ca 0.07 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3dpj n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpj h PRO 102 N 6.99 0.00 0.00 0.00 0.13 -1.96 -1.82 132.00 135.34 3dpj h PRO 102 Ca -0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 3dpj h PRO 102 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3dpj h PRO 102 CO 0.95 0.02 -0.64 0.28 -0.23 0.00 0.00 178.00 178.38 3dpj h VAL 103 N 0.00 1.27 0.00 1.56 2.07 -1.99 -3.32 116.25 115.84 3dpj h VAL 103 Ca -0.00 -2.20 -0.12 0.00 0.82 0.00 0.00 66.70 65.20 3dpj h VAL 103 Cb 0.03 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3dpj h VAL 103 CO 0.00 0.43 -0.59 1.23 0.02 0.00 0.00 177.57 178.67 3dpj h GLY 104 N -1.00 0.00 1.24 2.17 0.00 -1.96 -2.75 103.07 100.78 3dpj h GLY 104 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 3dpj h GLY 104 CO -0.11 0.00 -0.29 1.48 0.00 0.00 0.00 176.54 177.62 3dpj h SER 105 N 0.00 0.89 -0.00 0.19 4.64 -1.51 -2.06 113.55 115.69 3dpj h SER 105 Ca -0.01 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3dpj h SER 105 Cb 1.07 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3dpj h SER 105 CO 0.08 1.11 -0.00 0.25 -0.87 0.00 0.00 176.83 177.40 3dpj h LEU 106 N 0.72 0.01 -1.19 5.97 5.85 -1.65 -2.30 115.31 122.72 3dpj h LEU 106 Ca 0.08 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.58 3dpj h LEU 106 Cb 0.85 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 3dpj h LEU 106 CO 0.07 0.33 0.58 0.00 -0.34 0.00 0.00 178.44 179.09 3dpj h THR 108 N 0.87 0.95 -0.01 0.00 1.35 -1.36 -2.02 112.91 112.69 3dpj h THR 108 Ca 0.43 -2.17 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 3dpj h THR 108 Cb 0.46 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3dpj h THR 108 CO -0.19 0.51 -0.04 -0.08 -0.25 0.00 0.00 175.52 175.47 3dpj h GLU 109 N 0.00 0.04 -0.04 4.72 4.81 -0.59 -1.64 114.58 121.88 3dpj h GLU 109 Ca -0.01 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3dpj h GLU 109 Cb 1.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 3dpj h GLU 109 CO 0.07 0.70 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.78 3dpj h LEU 110 N -0.61 0.06 -0.04 1.64 3.38 -1.01 0.83 115.31 119.56 3dpj h LEU 110 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3dpj h LEU 110 Cb 0.71 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3dpj h LEU 110 CO 0.01 0.26 -0.00 -1.28 0.09 0.00 0.00 178.44 177.52 3dpj h SER 111 N 0.06 0.08 -0.14 -0.43 0.87 -1.41 0.49 113.55 113.07 3dpj h SER 111 Ca 0.01 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 60.14 3dpj h SER 111 Cb 0.38 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3dpj h SER 111 CO 0.03 0.40 -0.19 0.50 -0.53 0.00 0.00 176.83 177.04 3dpj h LYS 112 N -0.24 0.56 0.00 2.24 1.63 -0.12 0.18 116.57 120.82 3dpj h LYS 112 Ca 0.01 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3dpj h LYS 112 Cb 0.36 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3dpj h LYS 112 CO 0.00 0.72 0.00 1.28 -3.45 0.00 0.00 179.45 178.00 3dpj n LEU 113 N -4.15 0.00 -2.88 5.20 4.77 0.27 -4.92 117.00 115.29 3dpj n LEU 113 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 3dpj n LEU 113 Cb 0.38 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3dpj n LEU 113 CO 0.42 0.00 -0.17 -0.67 -1.33 0.00 0.00 177.39 175.63 3dpj n ASP 114 N -0.93 -3.32 -4.59 -1.43 -0.08 0.64 -4.90 116.55 101.93 3dpj n ASP 114 Ca 0.17 -0.30 -0.31 0.00 -1.51 0.00 0.00 54.79 52.83 3dpj n ASP 114 Cb 0.08 -1.01 -0.10 0.00 2.34 0.00 0.00 41.12 42.42 3dpj n ASP 114 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 3dpj s HIS 115 N -1.56 2.83 0.08 -0.67 2.46 0.16 -5.00 115.29 113.58 3dpj s HIS 115 Ca 0.16 -0.09 -0.20 0.00 0.47 0.00 0.00 55.06 55.39 3dpj s HIS 115 Cb -0.02 -1.54 -0.07 0.00 -0.13 0.00 0.00 32.58 30.83 3dpj s HIS 115 CO 0.57 0.39 1.34 0.00 -2.47 0.00 0.00 174.74 174.56 3dpj h ALA 116 N 4.16 -0.58 0.00 1.58 0.00 -1.90 -0.61 119.26 121.91 3dpj h ALA 116 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dpj h ALA 116 Cb 1.17 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3dpj h ALA 116 CO 0.53 -0.75 0.00 0.00 0.00 0.00 0.00 179.25 179.03 3dpj n ALA 117 N -2.96 0.87 -1.00 0.00 0.00 -1.26 -3.84 120.51 112.32 3dpj n ALA 117 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3dpj n ALA 117 Cb 0.21 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3dpj n ALA 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dpj n GLN 118 N -0.62 0.00 0.28 0.00 6.02 -0.24 -0.68 117.38 122.13 3dpj n GLN 118 Ca 0.00 0.33 0.18 0.00 -0.01 0.00 0.00 57.00 57.49 3dpj n GLN 118 Cb 0.00 -0.99 0.94 0.00 1.02 0.00 0.00 30.24 31.21 3dpj n GLN 118 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3dpj h GLY 119 N 0.00 0.00 1.05 1.08 0.00 -1.84 0.26 103.07 103.63 3dpj h GLY 119 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 3dpj h GLY 119 CO 0.00 0.00 -1.15 -1.61 0.00 0.00 0.00 176.54 173.78 3dpj h GLN 120 N 0.00 0.50 -0.55 4.80 4.15 -1.76 -2.76 115.11 119.49 3dpj h GLN 120 Ca 0.00 -0.75 -0.10 0.00 0.77 0.00 0.00 58.65 58.57 3dpj h GLN 120 Cb 0.12 0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 3dpj h GLN 120 CO 0.00 1.34 -0.05 0.00 -1.93 0.00 0.00 178.83 178.19 3dpj h ALA 121 N 0.19 0.86 0.00 3.38 0.00 0.17 -2.19 119.26 121.68 3dpj h ALA 121 Ca -0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3dpj h ALA 121 Cb 1.87 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3dpj h ALA 121 CO 0.22 0.65 0.00 -1.71 0.00 0.00 0.00 179.25 178.41 3dpj n ASN 122 N -4.17 0.00 0.26 0.00 2.85 0.58 -0.45 115.26 114.34 3dpj n ASN 122 Ca 0.02 0.44 0.11 0.00 -0.11 0.00 0.00 54.58 55.04 3dpj n ASN 122 Cb 0.37 -0.47 0.72 0.00 1.24 0.00 0.00 39.78 41.64 3dpj n ASN 122 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3dpj h GLY 123 N 2.29 0.00 1.01 8.20 0.00 -1.08 -2.24 103.07 111.25 3dpj h GLY 123 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3dpj h GLY 123 CO 0.00 0.00 0.39 1.41 0.00 0.00 0.00 176.54 178.34 3dpj h LEU 124 N 0.00 0.93 -0.96 3.11 3.38 -0.89 -2.46 115.31 118.42 3dpj h LEU 124 Ca -0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3dpj h LEU 124 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3dpj h LEU 124 CO 0.01 0.77 0.13 -0.26 0.09 0.00 0.00 178.44 179.18 3dpj h PHE 125 N 1.02 0.92 0.00 1.13 0.04 -1.55 -3.14 116.94 115.36 3dpj h PHE 125 Ca 0.26 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.93 3dpj h PHE 125 Cb 0.06 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 37.94 3dpj h PHE 125 CO 0.00 0.77 0.00 1.79 -0.60 0.00 0.00 178.31 180.27 3dpj h THR 126 N 0.85 0.00 -0.01 -1.55 1.35 -1.20 0.34 112.91 112.68 3dpj h THR 126 Ca 0.18 -0.40 -0.12 0.00 -0.55 0.00 0.00 66.41 65.52 3dpj h THR 126 Cb 0.33 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 3dpj h THR 126 CO 0.00 0.00 -0.55 -0.07 -0.25 0.00 0.00 175.52 174.65 3dpj h LEU 127 N 0.00 0.03 0.01 3.87 3.38 -1.44 -3.16 115.31 117.99 3dpj h LEU 127 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dpj h LEU 127 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3dpj h LEU 127 CO 0.00 0.57 -0.00 -0.26 0.09 0.00 0.00 178.44 178.84 3dpj h PHE 128 N 0.02 -0.01 -0.04 1.13 0.04 -1.33 -3.00 116.94 113.76 3dpj h PHE 128 Ca -0.00 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3dpj h PHE 128 Cb 0.98 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 3dpj h PHE 128 CO 0.00 0.26 1.00 -0.09 -0.60 0.00 0.00 178.31 178.88 3dpj h ARG 129 N -1.00 0.00 0.00 1.51 2.43 -1.04 0.39 114.38 116.67 3dpj h ARG 129 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3dpj h ARG 129 Cb 0.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3dpj h ARG 129 CO 0.00 0.00 -1.23 -0.25 -1.51 0.00 0.00 179.97 176.99 3dpj n ASP 130 N -2.53 3.82 0.28 -3.80 8.00 -1.19 -3.20 116.55 117.91 3dpj n ASP 130 Ca 0.01 -0.02 0.16 0.00 0.71 0.00 0.00 54.79 55.66 3dpj n ASP 130 Cb 1.01 0.09 0.76 0.00 -0.02 0.00 0.00 41.12 42.96 3dpj n ASP 130 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3dpj h TRP 131 N 0.00 0.00 0.00 1.24 7.01 -1.21 0.62 115.95 123.61 3dpj h TRP 131 Ca -0.09 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.82 3dpj h TRP 131 Cb 1.15 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.20 3dpj h TRP 131 CO 0.00 0.06 -0.64 1.25 -2.79 0.00 0.00 178.44 176.32 3dpj h LEU 132 N 0.00 0.00 0.17 0.65 5.85 -0.44 -2.05 115.31 119.49 3dpj h LEU 132 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3dpj h LEU 132 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3dpj h LEU 132 CO 0.01 0.37 -0.08 -0.61 -0.34 0.00 0.00 178.44 177.79 3dpj h GLN 133 N 0.00 -0.22 -0.14 1.25 4.15 -1.06 -2.40 115.11 116.70 3dpj h GLN 133 Ca -0.03 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.44 3dpj h GLN 133 Cb 1.31 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 3dpj h GLN 133 CO 0.04 -0.13 0.53 -0.09 -1.93 0.00 0.00 178.83 177.25 3dpj h ARG 134 N -1.06 0.00 0.03 1.69 1.12 0.04 0.15 114.38 116.35 3dpj h ARG 134 Ca -0.02 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.72 3dpj h ARG 134 Cb 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 3dpj h ARG 134 CO 0.04 0.00 -0.67 1.96 -3.11 0.00 0.00 179.97 178.19 3dpj h GLN 135 N 0.00 0.07 -0.04 0.20 1.08 -1.42 -2.76 115.11 112.24 3dpj h GLN 135 Ca 0.06 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 3dpj h GLN 135 Cb 1.11 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 3dpj h GLN 135 CO -0.00 1.06 -0.23 0.74 -0.95 0.00 0.00 178.83 179.44 3dpj h PHE 136 N -0.83 0.07 0.10 2.96 0.04 -0.60 -2.38 116.94 116.30 3dpj h PHE 136 Ca -0.16 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 3dpj h PHE 136 Cb 1.27 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.41 3dpj h PHE 136 CO 0.19 0.30 -0.05 0.00 -0.60 0.00 0.00 178.31 178.15 3dpj h ALA 137 N 1.71 -0.16 0.00 2.45 0.00 -0.75 0.75 119.26 123.26 3dpj h ALA 137 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dpj h ALA 137 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3dpj h ALA 137 CO 0.03 -0.15 0.22 0.93 0.00 0.00 0.00 179.25 180.28 3dpj h GLU 138 N -0.84 0.00 -0.02 0.00 5.08 -1.58 1.35 114.58 118.57 3dpj h GLU 138 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dpj h GLU 138 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3dpj h GLU 138 CO 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 179.01 178.00 3dpj n ALA 139 N -1.64 2.63 0.00 3.43 0.00 -0.90 -4.89 120.51 119.13 3dpj n ALA 139 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3dpj n ALA 139 Cb 0.25 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3dpj n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dpj n GLY 140 N 1.23 0.92 2.48 0.00 0.00 0.46 -4.94 105.19 105.35 3dpj n GLY 140 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3dpj n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpj h THR 142 N 2.10 0.30 -0.18 0.00 2.02 -1.63 -2.33 112.91 113.18 3dpj h THR 142 Ca 0.44 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.67 3dpj h THR 142 Cb 0.66 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 3dpj h THR 142 CO 0.97 0.00 -0.13 0.74 0.37 0.00 0.00 175.52 177.47 3dpj h THR 143 N -0.33 0.62 -0.51 3.16 2.02 -1.93 -2.65 112.91 113.30 3dpj h THR 143 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3dpj h THR 143 Cb 0.52 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3dpj h THR 143 CO -0.40 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 174.87 3dpj n GLU 144 N -5.28 3.68 0.30 6.66 -0.58 -1.21 -4.71 120.64 119.49 3dpj n GLU 144 Ca -0.02 -2.46 -0.16 0.00 -0.42 0.00 0.00 57.16 54.09 3dpj n GLU 144 Cb 0.20 -1.94 -0.09 0.00 -0.57 0.00 0.00 31.44 29.05 3dpj n GLU 144 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dpj h ALA 145 N 3.78 -0.73 -0.14 0.62 0.00 -1.03 0.28 119.26 122.04 3dpj h ALA 145 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3dpj h ALA 145 Cb 1.45 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3dpj h ALA 145 CO 0.29 -0.88 0.11 -1.35 0.00 0.00 0.00 179.25 177.42 3dpj h PRO 146 N -0.79 0.00 -0.05 0.00 0.11 -1.84 -2.14 132.00 127.29 3dpj h PRO 146 Ca -0.07 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 3dpj h PRO 146 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3dpj h PRO 146 CO 0.12 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 177.76 3dpj h ALA 147 N 1.92 0.08 -0.96 -0.75 0.00 -1.78 -3.23 119.26 114.54 3dpj h ALA 147 Ca 0.06 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3dpj h ALA 147 Cb 0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3dpj h ALA 147 CO -0.00 0.00 0.62 -0.07 0.00 0.00 0.00 179.25 179.81 3dpj h LEU 148 N -0.35 1.05 -0.86 0.00 3.38 -0.84 -2.63 115.31 115.05 3dpj h LEU 148 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dpj h LEU 148 Cb 0.77 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dpj h LEU 148 CO 0.03 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.28 3dpj n ALA 149 N -2.36 0.90 0.00 1.53 0.00 -0.82 -1.19 120.51 118.58 3dpj n ALA 149 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3dpj n ALA 149 Cb 0.08 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3dpj n ALA 149 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3dpj n HIS 151 N 0.31 0.00 -0.01 0.00 -0.00 -0.99 -0.68 115.22 113.84 3dpj n HIS 151 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 3dpj n HIS 151 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 3dpj n HIS 151 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3dpj h LEU 152 N 0.00 -0.81 -0.87 0.27 5.85 -1.43 0.13 115.31 118.45 3dpj h LEU 152 Ca 0.00 0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3dpj h LEU 152 Cb 0.00 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 3dpj h LEU 152 CO 0.00 -0.30 0.51 0.25 -0.34 0.00 0.00 178.44 178.56 3dpj h LEU 153 N -0.31 0.72 -0.38 2.25 5.85 -1.14 -1.06 115.31 121.24 3dpj h LEU 153 Ca 0.11 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.72 3dpj h LEU 153 Cb 0.48 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3dpj h LEU 153 CO -0.34 0.39 -0.43 0.00 -0.34 0.00 0.00 178.44 177.72 3dpj h ALA 154 N 1.49 0.56 -0.17 1.25 0.00 -1.63 -2.30 119.26 118.46 3dpj h ALA 154 Ca 0.43 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dpj h ALA 154 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dpj h ALA 154 CO -0.27 0.68 0.08 0.00 0.00 0.00 0.00 179.25 179.74 3dpj h ARG 155 N 0.73 0.23 0.00 0.00 2.47 0.43 -0.08 114.38 118.16 3dpj h ARG 155 Ca 0.05 -0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.61 3dpj h ARG 155 Cb 1.02 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 3dpj h ARG 155 CO 0.10 0.18 -0.67 0.66 0.56 0.00 0.00 179.97 180.80 3dpj h SER 156 N 0.24 0.00 0.08 7.04 4.64 -0.89 -2.42 113.55 122.23 3dpj h SER 156 Ca 0.06 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.10 3dpj h SER 156 Cb 0.03 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.15 3dpj h SER 156 CO -0.01 0.67 -1.16 1.56 -0.87 0.00 0.00 176.83 177.03 3dpj h GLN 157 N 0.00 0.64 -0.23 4.77 1.08 -0.64 -2.38 115.11 118.36 3dpj h GLN 157 Ca -0.01 -0.80 0.03 0.00 -1.45 0.00 0.00 58.65 56.42 3dpj h GLN 157 Cb 1.37 0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 29.03 3dpj h GLN 157 CO 0.09 1.36 0.04 0.78 -0.95 0.00 0.00 178.83 180.15 3dpj h GLY 158 N 0.29 0.25 0.71 3.46 0.00 -1.10 -1.39 103.07 105.30 3dpj h GLY 158 Ca -0.17 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.16 3dpj h GLY 158 CO 0.22 -0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.63 3dpj h ALA 159 N 1.16 -0.17 -0.78 3.60 0.00 -1.51 -2.92 119.26 118.65 3dpj h ALA 159 Ca 0.10 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3dpj h ALA 159 Cb 0.10 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3dpj h ALA 159 CO -0.14 -0.63 0.49 0.00 0.00 0.00 0.00 179.25 178.98 3dpj h ALA 160 N 0.71 1.02 -0.50 0.00 0.00 -1.34 -0.95 119.26 118.20 3dpj h ALA 160 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3dpj h ALA 160 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3dpj h ALA 160 CO -0.11 0.29 0.12 1.15 0.00 0.00 0.00 179.25 180.71 3dpj h THR 161 N 0.96 1.24 0.03 0.00 2.02 -1.19 0.18 112.91 116.14 3dpj h THR 161 Ca 0.31 -0.84 -0.22 0.00 0.77 0.00 0.00 66.41 66.43 3dpj h THR 161 Cb 0.03 0.83 0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3dpj h THR 161 CO -0.12 0.31 -0.89 -0.07 0.37 0.00 0.00 175.52 175.12 3dpj h LEU 162 N 0.69 0.73 0.01 2.58 3.38 -1.45 0.12 115.31 121.37 3dpj h LEU 162 Ca 0.16 -0.78 0.03 0.00 0.09 0.00 0.00 57.88 57.38 3dpj h LEU 162 Cb 0.33 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3dpj h LEU 162 CO 0.00 1.42 -0.29 0.00 0.09 0.00 0.00 178.44 179.66 3dpj h ALA 163 N 0.33 -0.41 -0.03 1.53 0.00 -1.11 0.34 119.26 119.91 3dpj h ALA 163 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dpj h ALA 163 Cb 1.58 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 3dpj h ALA 163 CO 0.17 -0.80 0.02 0.37 0.00 0.00 0.00 179.25 179.02 3dpj h GLN 164 N -0.44 0.04 -0.45 0.00 4.15 -0.67 1.23 115.11 118.98 3dpj h GLN 164 Ca 0.06 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 3dpj h GLN 164 Cb 0.52 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 3dpj h GLN 164 CO -0.24 0.04 0.07 1.03 -1.93 0.00 0.00 178.83 177.80 3dpj h SER 165 N 0.03 0.64 0.64 -0.69 0.87 -0.50 -1.62 113.55 112.92 3dpj h SER 165 Ca 0.01 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3dpj h SER 165 Cb 0.01 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3dpj h SER 165 CO -0.00 0.67 -0.66 0.49 -0.53 0.00 0.00 176.83 176.79 3dpj n PHE 166 N -4.28 0.29 -3.69 2.24 3.72 0.12 -5.00 117.46 110.87 3dpj n PHE 166 Ca 0.03 0.08 -0.30 0.00 -0.05 0.00 0.00 57.45 57.22 3dpj n PHE 166 Cb 0.23 -0.46 0.03 0.00 -0.94 0.00 0.00 39.48 38.35 3dpj n PHE 166 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3dpj n HIS 167 N -1.85 -1.96 -3.73 1.38 8.25 0.40 -5.01 115.22 112.69 3dpj n HIS 167 Ca 0.04 0.52 -0.30 0.00 -0.26 0.00 0.00 57.72 57.72 3dpj n HIS 167 Cb 0.40 -3.32 -0.15 0.00 1.12 0.00 0.00 29.99 28.04 3dpj n HIS 167 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dpj s ASP 168 N -3.36 3.90 0.55 0.41 -1.08 0.21 -4.98 116.67 112.33 3dpj s ASP 168 Ca 0.37 -1.54 0.31 0.00 -0.52 0.00 0.00 52.55 51.17 3dpj s ASP 168 Cb -0.14 -0.82 1.62 0.00 -1.46 0.00 0.00 42.92 42.11 3dpj s ASP 168 CO 0.87 -0.40 2.12 -0.33 0.52 0.00 0.00 175.17 177.95 3dpj h GLU 169 N 8.11 0.00 -0.10 4.34 5.08 -1.87 -2.78 114.58 127.37 3dpj h GLU 169 Ca -0.14 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 3dpj h GLU 169 Cb 1.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.29 3dpj h GLU 169 CO 0.46 0.08 -0.85 0.78 -1.00 0.00 0.00 179.01 178.47 3dpj h GLY 170 N 0.81 0.77 1.51 -3.84 0.00 -1.97 -0.46 103.07 99.89 3dpj h GLY 170 Ca -0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 47.33 46.09 3dpj h GLY 170 CO 0.01 1.03 -0.13 -2.75 0.00 0.00 0.00 176.54 174.70 3dpj h PHE 171 N 0.45 0.63 -0.73 5.60 3.57 -1.94 -0.31 116.94 124.21 3dpj h PHE 171 Ca -0.07 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.28 3dpj h PHE 171 Cb 1.48 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 3dpj h PHE 171 CO 0.08 0.69 0.29 1.25 -2.23 0.00 0.00 178.31 178.39 3dpj h LEU 172 N 0.53 1.00 0.14 0.59 5.85 -1.27 -2.35 115.31 119.80 3dpj h LEU 172 Ca 0.09 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3dpj h LEU 172 Cb 0.54 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3dpj h LEU 172 CO 0.03 0.89 -0.07 0.03 -0.34 0.00 0.00 178.44 178.98 3dpj h ARG 173 N 1.06 -0.18 0.00 1.25 3.08 -0.53 -2.55 114.38 116.50 3dpj h ARG 173 Ca 0.25 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3dpj h ARG 173 Cb 0.21 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dpj h ARG 173 CO -0.02 0.23 -0.03 0.66 -1.07 0.00 0.00 179.97 179.74 3dpj h SER 174 N -0.67 0.00 0.02 7.04 4.64 -1.04 0.25 113.55 123.79 3dpj h SER 174 Ca -0.02 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.06 3dpj h SER 174 Cb 0.50 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3dpj h SER 174 CO 0.03 0.03 -0.94 -0.33 -0.87 0.00 0.00 176.83 174.76 3dpj h GLU 175 N 0.00 0.61 0.21 4.77 4.39 -1.47 -2.63 114.58 120.46 3dpj h GLU 175 Ca -0.00 -0.67 -0.01 0.00 0.34 0.00 0.00 59.36 59.02 3dpj h GLU 175 Cb 0.07 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3dpj h GLU 175 CO 0.00 1.27 -0.10 0.28 -1.16 0.00 0.00 179.01 179.30 3dpj h VAL 176 N 0.23 0.86 -0.99 3.13 2.07 -0.70 -2.56 116.25 118.28 3dpj h VAL 176 Ca -0.12 -0.40 0.16 0.00 0.82 0.00 0.00 66.70 67.15 3dpj h VAL 176 Cb 1.61 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 32.38 3dpj h VAL 176 CO 0.18 0.09 0.61 0.00 0.02 0.00 0.00 177.57 178.47 3dpj h ALA 177 N 0.25 1.58 0.00 1.67 0.00 -1.15 -2.15 119.26 119.46 3dpj h ALA 177 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dpj h ALA 177 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dpj h ALA 177 CO 0.05 0.07 0.00 -3.47 0.00 0.00 0.00 179.25 175.90 3dpj n ASP 178 N -4.71 1.87 0.00 0.00 2.03 -0.97 -2.34 116.55 112.43 3dpj n ASP 178 Ca 0.21 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.29 3dpj n ASP 178 Cb 0.47 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 3dpj n ASP 178 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3dpj n HIS 180 N 1.11 0.00 -0.07 -0.67 8.25 -0.81 -1.04 115.22 121.99 3dpj n HIS 180 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3dpj n HIS 180 Cb 0.24 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 3dpj n HIS 180 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3dpj h ARG 181 N 0.00 0.00 -0.48 -0.41 2.43 -1.73 -2.84 114.38 111.35 3dpj h ARG 181 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3dpj h ARG 181 Cb 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.45 3dpj h ARG 181 CO 0.00 0.86 -0.38 2.35 -1.51 0.00 0.00 179.97 181.29 3dpj h TRP 182 N -1.00 -1.09 0.11 2.20 7.01 -1.37 -1.69 115.95 120.11 3dpj h TRP 182 Ca -0.03 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3dpj h TRP 182 Cb 0.89 0.55 -0.01 0.00 -2.10 0.00 0.00 29.16 28.49 3dpj h TRP 182 CO 0.22 -0.41 -0.13 1.25 -2.79 0.00 0.00 178.44 176.58 3dpj h LEU 183 N -0.25 -0.36 -2.19 0.65 5.85 -1.83 0.93 115.31 118.11 3dpj h LEU 183 Ca 0.18 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.97 3dpj h LEU 183 Cb 0.56 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3dpj h LEU 183 CO -0.61 -0.17 0.27 0.44 -0.34 0.00 0.00 178.44 178.04 3dpj h ASP 184 N -0.25 0.00 1.40 1.25 5.19 -1.52 1.13 116.42 123.63 3dpj h ASP 184 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3dpj h ASP 184 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 3dpj h ASP 184 CO -0.02 0.00 -0.25 0.78 -3.12 0.00 0.00 179.24 176.62 3dpj h ASN 185 N 0.00 0.00 0.20 6.45 -0.26 -0.60 -3.33 115.58 118.04 3dpj h ASN 185 Ca 0.07 -0.05 -0.34 0.00 -0.56 0.00 0.00 56.30 55.41 3dpj h ASN 185 Cb 0.61 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.82 3dpj h ASN 185 CO -0.00 0.03 -2.08 0.41 -1.06 0.00 0.00 177.43 174.73 3dpj n THR 186 N -2.47 1.56 -3.10 2.81 -1.04 0.37 -4.90 114.28 107.51 3dpj n THR 186 Ca 0.04 -0.75 -0.39 0.00 -2.04 0.00 0.00 64.05 60.90 3dpj n THR 186 Cb 0.47 -1.06 -0.05 0.00 -1.82 0.00 0.00 70.33 67.87 3dpj n THR 186 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dpj s LEU 187 N -6.16 4.29 0.00 -4.42 1.43 0.11 -5.09 118.68 108.84 3dpj s LEU 187 Ca -0.14 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 3dpj s LEU 187 Cb 0.07 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3dpj s LEU 187 CO 0.78 -0.12 0.00 -2.65 0.23 0.00 0.00 176.35 174.59 3dpj n PRO 188 N 3.94 0.00 0.00 1.29 -0.02 -1.26 -4.87 135.00 134.08 3dpj n PRO 188 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3dpj n PRO 188 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 3dpj n PRO 188 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3dpj n THR 190 N 0.00 0.00 -1.49 3.45 5.66 -1.26 -5.09 114.28 115.56 3dpj n THR 190 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3dpj n THR 190 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3dpj n THR 190 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43