#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjw h ARG 3 N 0.00 0.04 -0.26 -1.46 2.43 -2.05 -0.76 114.38 112.32 1sjw h ARG 3 Ca 0.00 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1sjw h ARG 3 Cb 0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1sjw h ARG 3 CO 0.00 0.03 -0.40 1.96 -1.51 0.00 0.00 179.97 180.05 1sjw h GLN 4 N 0.05 0.61 -0.73 0.20 4.20 -2.00 -1.79 115.11 115.64 1sjw h GLN 4 Ca 0.25 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1sjw h GLN 4 Cb 0.38 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1sjw h GLN 4 CO -0.48 0.90 0.49 1.15 -0.67 0.00 0.00 178.83 180.22 1sjw h THR 5 N 0.50 1.19 -0.32 -0.54 2.02 -1.87 -2.11 112.91 111.77 1sjw h THR 5 Ca 0.04 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 1sjw h THR 5 Cb 0.91 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1sjw h THR 5 CO 0.08 0.18 -0.14 -0.33 0.37 0.00 0.00 175.52 175.68 1sjw h GLU 6 N 0.99 0.57 -0.43 6.66 4.39 -0.53 -0.36 114.58 125.88 1sjw h GLU 6 Ca 0.27 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1sjw h GLU 6 Cb -0.11 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1sjw h GLU 6 CO -0.06 0.69 0.26 0.82 -1.16 0.00 0.00 179.01 179.56 1sjw h ILE 7 N 0.52 1.13 -0.34 3.13 2.04 -0.97 -1.63 117.51 121.38 1sjw h ILE 7 Ca 0.09 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1sjw h ILE 7 Cb 0.54 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1sjw h ILE 7 CO 0.03 0.13 -0.14 0.58 0.00 0.00 0.00 178.15 178.76 1sjw h VAL 8 N 0.57 1.25 -0.02 1.67 2.07 -1.05 -1.85 116.25 118.89 1sjw h VAL 8 Ca 0.15 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1sjw h VAL 8 Cb -0.02 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1sjw h VAL 8 CO -0.03 0.37 -0.12 0.03 0.02 0.00 0.00 177.57 177.84 1sjw h ARG 9 N 0.55 0.03 -0.38 1.57 3.08 -0.72 -0.87 114.38 117.64 1sjw h ARG 9 Ca 0.10 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1sjw h ARG 9 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1sjw h ARG 9 CO 0.04 0.15 -0.30 -0.09 -1.07 0.00 0.00 179.97 178.69 1sjw h ARG 10 N 0.03 0.82 -0.19 0.04 2.43 -0.52 0.08 114.38 117.07 1sjw h ARG 10 Ca 0.01 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1sjw h ARG 10 Cb 0.22 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1sjw h ARG 10 CO 0.02 1.01 0.08 1.98 -1.51 0.00 0.00 179.97 181.55 1sjw h MET 11 N 0.70 0.28 -0.61 0.20 4.05 -0.75 -1.56 114.93 117.24 1sjw h MET 11 Ca 0.08 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.52 1sjw h MET 11 Cb 0.84 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.54 1sjw h MET 11 CO 0.07 0.34 0.30 0.28 0.23 0.00 0.00 176.91 178.14 1sjw h VAL 12 N 0.16 0.91 -0.67 -5.77 2.07 -1.03 -1.78 116.25 110.15 1sjw h VAL 12 Ca 0.06 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1sjw h VAL 12 Cb 0.16 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1sjw h VAL 12 CO -0.01 0.10 0.38 -1.28 0.02 0.00 0.00 177.57 176.78 1sjw h SER 13 N 0.56 0.81 -0.88 0.57 0.87 -0.66 -1.65 113.55 113.17 1sjw h SER 13 Ca 0.28 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1sjw h SER 13 Cb 0.23 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1sjw h SER 13 CO -0.21 0.65 0.54 0.00 -0.53 0.00 0.00 176.83 177.28 1sjw h ALA 14 N 1.49 1.29 -0.16 6.23 0.00 -0.39 0.70 119.26 128.42 1sjw h ALA 14 Ca 0.24 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1sjw h ALA 14 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1sjw h ALA 14 CO -0.04 0.62 -0.19 0.74 0.00 0.00 0.00 179.25 180.37 1sjw h PHE 15 N 1.21 0.29 0.00 0.00 0.04 -1.13 0.22 116.94 117.57 1sjw h PHE 15 Ca 0.32 -0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.91 1sjw h PHE 15 Cb -0.06 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1sjw h PHE 15 CO 0.00 0.45 -0.62 -0.91 -0.60 0.00 0.00 178.31 176.64 1sjw h ASN 16 N 0.25 0.00 0.00 2.17 2.35 -0.68 -3.37 115.58 116.30 1sjw h ASN 16 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1sjw h ASN 16 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1sjw h ASN 16 CO 0.03 0.62 -1.21 0.35 -1.65 0.00 0.00 177.43 175.57 1sjw n THR 17 N -3.36 0.00 -0.99 2.81 -2.24 0.08 -4.97 114.28 105.62 1sjw n THR 17 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1sjw n THR 17 Cb 0.74 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1sjw n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjw n GLY 18 N 1.73 0.58 3.63 3.38 0.00 0.76 -4.99 105.19 110.28 1sjw n GLY 18 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1sjw n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sjw s ARG 19 N -0.15 3.89 0.00 1.61 3.52 -1.25 -4.85 118.95 121.71 1sjw s ARG 19 Ca 0.00 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1sjw s ARG 19 Cb 0.00 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 1sjw s ARG 19 CO 0.00 -1.15 0.64 0.25 -0.81 0.00 0.00 175.30 174.22 1sjw n THR 20 N 6.29 0.39 0.28 4.11 -2.24 -1.26 -4.68 114.28 117.18 1sjw n THR 20 Ca 0.14 -0.46 0.17 0.00 -2.27 0.00 0.00 64.05 61.63 1sjw n THR 20 Cb 0.47 0.92 0.77 0.00 -2.10 0.00 0.00 70.33 70.39 1sjw n THR 20 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1sjw h ASP 21 N 0.00 0.00 -0.15 3.42 2.03 -2.03 -3.07 116.42 116.62 1sjw h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sjw h ASP 21 Cb 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 1sjw h ASP 21 CO 0.00 0.06 0.00 -0.90 -1.03 0.00 0.00 179.24 177.37 1sjw n ASP 22 N -3.24 2.89 0.28 4.15 5.75 -1.26 -4.72 116.55 120.40 1sjw n ASP 22 Ca -0.01 -2.64 0.13 0.00 -0.01 0.00 0.00 54.79 52.26 1sjw n ASP 22 Cb 0.26 -0.34 0.82 0.00 -1.03 0.00 0.00 41.12 40.82 1sjw n ASP 22 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1sjw h VAL 23 N 0.99 0.67 0.00 2.12 -1.51 -1.88 -1.09 116.25 115.54 1sjw h VAL 23 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1sjw h VAL 23 Cb 0.99 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1sjw h VAL 23 CO 0.07 0.02 0.00 -0.90 -1.23 0.00 0.00 177.57 175.53 1sjw n ASP 24 N -4.00 0.41 0.19 4.19 3.85 -1.26 -1.15 116.55 118.76 1sjw n ASP 24 Ca -0.03 0.62 0.09 0.00 -0.71 0.00 0.00 54.79 54.76 1sjw n ASP 24 Cb 0.11 -0.70 0.12 0.00 -1.35 0.00 0.00 41.12 39.29 1sjw n ASP 24 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1sjw h GLU 25 N 0.00 0.00 0.00 0.11 5.08 -1.58 -3.39 114.58 114.80 1sjw h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sjw h GLU 25 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1sjw h GLU 25 CO 0.00 0.13 0.00 2.48 -1.00 0.00 0.00 179.01 180.62 1sjw n TYR 26 N -3.09 0.00 -4.23 4.33 0.18 -0.87 -4.88 117.16 108.60 1sjw n TYR 26 Ca 0.03 -0.01 -0.34 0.00 1.88 0.00 0.00 57.90 59.46 1sjw n TYR 26 Cb 0.59 -0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.42 1sjw n TYR 26 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1sjw s ILE 27 N -0.02 3.64 0.48 -3.48 -1.09 -0.30 -0.68 121.20 119.76 1sjw s ILE 27 Ca 0.00 -0.43 -0.22 0.00 -2.23 0.00 0.00 60.65 57.77 1sjw s ILE 27 Cb 0.00 -2.62 -0.07 0.00 -1.58 0.00 0.00 42.46 38.19 1sjw s ILE 27 CO 0.00 0.46 1.21 -2.28 -1.23 0.00 0.00 174.94 173.09 1sjw s HIS 28 N 0.86 2.74 0.56 3.97 2.46 0.18 -4.54 115.29 121.51 1sjw s HIS 28 Ca -0.01 1.50 0.33 0.00 0.47 0.00 0.00 55.06 57.35 1sjw s HIS 28 Cb -0.15 -3.47 1.47 0.00 -0.13 0.00 0.00 32.58 30.31 1sjw s HIS 28 CO 0.01 -1.81 1.80 -1.35 -2.47 0.00 0.00 174.74 170.92 1sjw h PRO 29 N 1.88 0.00 -0.37 2.88 0.11 -1.94 -0.52 132.00 134.04 1sjw h PRO 29 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sjw h PRO 29 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sjw h PRO 29 CO 0.59 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 1sjw n ASP 30 N -4.00 3.14 -4.57 -2.05 8.00 -1.26 -3.32 116.55 112.50 1sjw n ASP 30 Ca 0.20 -1.91 -0.49 0.00 0.71 0.00 0.00 54.79 53.30 1sjw n ASP 30 Cb 1.08 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.89 1sjw n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjw n TYR 31 N 1.09 1.19 -3.72 1.24 9.36 -0.20 -4.64 117.16 121.48 1sjw n TYR 31 Ca 0.16 0.71 -0.11 0.00 3.32 0.00 0.00 57.90 61.97 1sjw n TYR 31 Cb 0.50 -2.26 -0.12 0.00 -0.63 0.00 0.00 39.34 36.84 1sjw n TYR 31 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1sjw s LEU 32 N 0.72 0.20 -0.27 2.98 2.96 -0.69 -0.93 118.68 123.66 1sjw s LEU 32 Ca 0.73 0.73 -0.04 0.00 -0.22 0.00 0.00 54.13 55.33 1sjw s LEU 32 Cb -0.87 1.10 0.02 0.00 0.50 0.00 0.00 46.19 46.94 1sjw s LEU 32 CO 0.53 -0.17 -0.00 0.21 -1.32 0.00 0.00 176.35 175.59 1sjw s ASN 33 N 1.18 4.67 0.37 3.68 3.84 -1.26 -2.24 114.94 125.18 1sjw s ASN 33 Ca -0.08 -0.86 0.27 0.00 0.21 0.00 0.00 52.86 52.40 1sjw s ASN 33 Cb -0.08 -1.75 1.28 0.00 -0.55 0.00 0.00 41.25 40.15 1sjw s ASN 33 CO -0.09 -0.17 1.81 1.55 -2.79 0.00 0.00 177.10 177.41 1sjw h PRO 34 N 8.09 0.00 0.00 0.43 0.13 -1.98 -2.36 132.00 136.32 1sjw h PRO 34 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1sjw h PRO 34 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1sjw h PRO 34 CO 0.58 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.26 1sjw h ALA 35 N 2.10 0.98 0.00 -0.56 0.00 -1.95 -3.30 119.26 116.52 1sjw h ALA 35 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sjw h ALA 35 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sjw h ALA 35 CO 0.00 0.11 -0.14 1.79 0.00 0.00 0.00 179.25 181.01 1sjw h THR 36 N 0.00 0.00 -0.44 0.00 1.35 -1.70 -3.33 112.91 108.79 1sjw h THR 36 Ca -0.00 -0.69 0.04 0.00 -0.55 0.00 0.00 66.41 65.21 1sjw h THR 36 Cb 0.78 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1sjw h THR 36 CO 0.01 0.00 0.29 -0.07 -0.25 0.00 0.00 175.52 175.50 1sjw h LEU 37 N 0.00 0.38 0.00 3.87 3.38 -1.64 -1.05 115.31 120.24 1sjw h LEU 37 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sjw h LEU 37 Cb 0.84 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1sjw h LEU 37 CO 0.00 0.26 0.00 -1.84 0.09 0.00 0.00 178.44 176.95 1sjw n GLU 38 N -4.48 0.65 0.01 1.13 0.28 -1.25 -2.14 120.64 114.84 1sjw n GLU 38 Ca 0.05 0.02 0.11 0.00 -0.16 0.00 0.00 57.16 57.18 1sjw n GLU 38 Cb 0.18 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.57 1sjw n GLU 38 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1sjw n HIS 39 N -1.11 0.10 0.00 -1.84 8.25 -0.41 -4.94 115.22 115.27 1sjw n HIS 39 Ca 0.17 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1sjw n HIS 39 Cb 0.13 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1sjw n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sjw n GLY 40 N 1.44 0.41 3.61 -1.41 0.00 -0.91 -5.08 105.19 103.25 1sjw n GLY 40 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1sjw n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjw s ILE 41 N -2.00 4.27 0.00 -0.61 1.01 -1.14 -5.00 121.20 117.72 1sjw s ILE 41 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1sjw s ILE 41 Cb 0.00 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1sjw s ILE 41 CO 0.00 -0.81 0.00 1.41 0.00 0.00 0.00 174.94 175.54 1sjw n HIS 42 N 7.62 0.00 -4.41 3.97 8.25 -1.26 -3.58 115.22 125.80 1sjw n HIS 42 Ca 0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.38 1sjw n HIS 42 Cb 0.48 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 1sjw n HIS 42 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1sjw s THR 43 N 1.29 1.51 0.00 1.59 -4.23 -1.26 -4.70 115.64 109.84 1sjw s THR 43 Ca 0.00 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1sjw s THR 43 Cb 0.00 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1sjw s THR 43 CO 0.00 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1sjw n GLY 44 N -0.55 -2.06 0.36 3.99 0.00 -0.10 -3.56 105.19 103.26 1sjw n GLY 44 Ca -0.05 -1.41 0.11 0.00 0.00 0.00 0.00 46.02 44.66 1sjw n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sjw h PRO 45 N 0.00 0.82 -0.61 1.61 0.11 -1.80 -0.16 132.00 131.97 1sjw h PRO 45 Ca 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1sjw h PRO 45 Cb 0.01 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 1sjw h PRO 45 CO 0.00 0.54 0.20 -0.22 -0.21 0.00 0.00 178.00 178.32 1sjw h LYS 46 N 0.84 0.92 -0.52 1.05 3.64 -1.96 0.10 116.57 120.64 1sjw h LYS 46 Ca 0.53 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1sjw h LYS 46 Cb 0.73 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1sjw h LYS 46 CO -0.31 0.78 0.17 0.00 -2.27 0.00 0.00 179.45 177.81 1sjw h ALA 47 N 1.33 0.68 -0.57 5.00 0.00 -1.10 -0.62 119.26 123.98 1sjw h ALA 47 Ca 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1sjw h ALA 47 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1sjw h ALA 47 CO -0.01 0.33 0.18 0.35 0.00 0.00 0.00 179.25 180.09 1sjw h PHE 48 N 0.70 0.92 -0.79 0.00 3.57 -0.93 -0.21 116.94 120.21 1sjw h PHE 48 Ca 0.17 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1sjw h PHE 48 Cb 0.27 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1sjw h PHE 48 CO 0.01 0.77 0.47 0.00 -2.23 0.00 0.00 178.31 177.34 1sjw h ALA 49 N 1.04 1.09 -0.57 2.41 0.00 -0.76 -1.10 119.26 121.36 1sjw h ALA 49 Ca 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1sjw h ALA 49 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1sjw h ALA 49 CO -0.01 0.17 0.11 1.96 0.00 0.00 0.00 179.25 181.48 1sjw h GLN 50 N 0.84 0.90 -0.47 0.00 4.20 -0.70 -1.77 115.11 118.12 1sjw h GLN 50 Ca 0.36 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1sjw h GLN 50 Cb 0.22 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1sjw h GLN 50 CO -0.19 0.83 0.18 1.25 -0.67 0.00 0.00 178.83 180.23 1sjw h LEU 51 N 0.86 0.65 -0.50 1.46 5.85 -0.25 -0.24 115.31 123.14 1sjw h LEU 51 Ca 0.18 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1sjw h LEU 51 Cb 0.35 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1sjw h LEU 51 CO 0.00 0.65 0.14 0.58 -0.34 0.00 0.00 178.44 179.47 1sjw h VAL 52 N 0.62 0.78 -0.57 1.05 2.07 -0.97 0.35 116.25 119.58 1sjw h VAL 52 Ca 0.16 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1sjw h VAL 52 Cb 0.20 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1sjw h VAL 52 CO -0.01 0.05 0.27 1.23 0.02 0.00 0.00 177.57 179.14 1sjw h GLY 53 N 0.30 0.80 0.97 2.17 0.00 -1.09 -1.89 103.07 104.33 1sjw h GLY 53 Ca 0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1sjw h GLY 53 CO -0.28 0.09 0.13 -0.25 0.00 0.00 0.00 176.54 176.23 1sjw h TRP 54 N 0.51 0.82 -0.46 5.60 7.01 -0.41 -0.08 115.95 128.94 1sjw h TRP 54 Ca 0.26 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.17 1sjw h TRP 54 Cb 0.21 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1sjw h TRP 54 CO -0.11 0.73 0.30 0.28 -2.79 0.00 0.00 178.44 176.85 1sjw h VAL 55 N 0.68 1.11 -0.06 2.65 2.07 -0.65 -0.45 116.25 121.60 1sjw h VAL 55 Ca 0.16 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1sjw h VAL 55 Cb 0.31 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1sjw h VAL 55 CO -0.00 0.11 -0.58 0.03 0.02 0.00 0.00 177.57 177.16 1sjw h ARG 56 N 0.62 0.18 -0.02 1.57 3.08 -1.11 0.24 114.38 118.94 1sjw h ARG 56 Ca 0.17 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1sjw h ARG 56 Cb -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1sjw h ARG 56 CO -0.04 0.70 -0.45 0.00 -1.07 0.00 0.00 179.97 179.11 1sjw h ALA 57 N 1.27 1.22 0.10 0.04 0.00 -0.73 -0.51 119.26 120.65 1sjw h ALA 57 Ca -0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 54.91 54.13 1sjw h ALA 57 Cb 1.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1sjw h ALA 57 CO 0.09 0.57 -2.02 2.41 0.00 0.00 0.00 179.25 180.30 1sjw n THR 58 N -4.00 1.73 -0.05 0.00 -1.04 -0.20 -3.36 114.28 107.36 1sjw n THR 58 Ca -0.02 -0.60 0.03 0.00 -2.04 0.00 0.00 64.05 61.42 1sjw n THR 58 Cb 0.48 -1.72 0.08 0.00 -1.82 0.00 0.00 70.33 67.35 1sjw n THR 58 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1sjw n PHE 59 N -3.53 0.24 0.00 -1.42 3.72 0.05 -1.46 117.46 115.07 1sjw n PHE 59 Ca -0.34 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.64 1sjw n PHE 59 Cb 1.02 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 1sjw n PHE 59 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1sjw n SER 60 N 0.16 0.00 0.00 4.37 3.41 -0.20 -1.34 113.62 120.01 1sjw n SER 60 Ca 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.75 1sjw n SER 60 Cb 0.33 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.62 1sjw n SER 60 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sjw n GLU 61 N -0.21 0.01 -0.13 4.33 1.02 -1.22 -1.17 120.64 123.27 1sjw n GLU 61 Ca 0.00 0.23 0.10 0.00 -0.02 0.00 0.00 57.16 57.47 1sjw n GLU 61 Cb 0.00 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.22 1sjw n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sjw n GLU 62 N -1.49 1.98 -1.74 3.49 4.71 -1.26 -4.97 120.64 121.37 1sjw n GLU 62 Ca 0.04 -1.48 -0.40 0.00 -0.01 0.00 0.00 57.16 55.30 1sjw n GLU 62 Cb 0.18 -1.42 0.02 0.00 -1.01 0.00 0.00 31.44 29.21 1sjw n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sjw n ALA 63 N 0.70 1.71 -3.65 0.62 0.00 -0.32 -4.82 120.51 114.76 1sjw n ALA 63 Ca 0.17 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 1sjw n ALA 63 Cb 0.41 -2.34 -0.16 0.00 0.00 0.00 0.00 19.45 17.35 1sjw n ALA 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1sjw s ARG 64 N -2.38 0.79 -0.32 0.00 6.06 0.11 -4.74 118.95 118.45 1sjw s ARG 64 Ca 0.62 -0.07 -0.06 0.00 -2.50 0.00 0.00 55.73 53.71 1sjw s ARG 64 Cb -0.47 -0.85 0.03 0.00 0.06 0.00 0.00 34.95 33.72 1sjw s ARG 64 CO 0.57 -0.11 0.09 -1.17 -2.50 0.00 0.00 175.30 172.18 1sjw s LEU 65 N 1.05 4.13 -0.01 -0.88 2.96 -1.26 -0.44 118.68 124.23 1sjw s LEU 65 Ca -0.09 -0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 52.81 1sjw s LEU 65 Cb -0.14 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1sjw s LEU 65 CO -0.01 -0.28 0.17 -1.61 -1.32 0.00 0.00 176.35 173.31 1sjw s GLU 66 N 1.43 3.41 -0.20 1.98 2.02 0.21 -4.90 118.70 122.65 1sjw s GLU 66 Ca -0.00 -0.33 -0.20 0.00 0.02 0.00 0.00 54.97 54.46 1sjw s GLU 66 Cb -0.19 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 1sjw s GLU 66 CO 0.02 0.67 0.59 -2.00 0.02 0.00 0.00 175.26 174.57 1sjw s GLU 67 N -1.91 4.20 -0.17 1.61 2.12 -1.26 -0.82 118.70 122.46 1sjw s GLU 67 Ca 0.27 0.54 -0.16 0.00 0.36 0.00 0.00 54.97 55.97 1sjw s GLU 67 Cb -0.13 -3.58 -0.12 0.00 0.26 0.00 0.00 34.13 30.56 1sjw s GLU 67 CO 0.18 -0.22 0.08 0.28 -0.54 0.00 0.00 175.26 175.04 1sjw h VAL 68 N 5.18 0.56 -1.93 3.70 2.07 -1.12 -3.48 116.25 121.23 1sjw h VAL 68 Ca -0.32 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 65.58 1sjw h VAL 68 Cb 1.15 1.31 -0.19 0.00 -1.52 0.00 0.00 31.29 32.03 1sjw h VAL 68 CO 0.76 0.19 0.43 0.00 0.02 0.00 0.00 177.57 178.97 1sjw s ARG 69 N -2.26 0.80 -0.08 1.57 1.70 -0.99 -5.03 118.95 114.65 1sjw s ARG 69 Ca -0.21 0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.10 1sjw s ARG 69 Cb 0.04 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1sjw s ARG 69 CO 0.42 -0.28 -0.14 0.42 -1.08 0.00 0.00 175.30 174.63 1sjw s ILE 70 N -1.77 1.36 0.17 4.99 1.01 -1.26 -0.71 121.20 124.98 1sjw s ILE 70 Ca -0.02 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1sjw s ILE 70 Cb -0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1sjw s ILE 70 CO 0.00 0.41 -0.12 -1.61 0.00 0.00 0.00 174.94 173.62 1sjw s GLU 71 N 0.75 1.97 0.06 2.79 2.02 0.07 -4.98 118.70 121.37 1sjw s GLU 71 Ca -0.12 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.60 1sjw s GLU 71 Cb -0.16 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 1sjw s GLU 71 CO 0.03 0.44 -0.05 -1.83 0.02 0.00 0.00 175.26 173.87 1sjw s GLU 72 N -2.69 0.60 -0.24 1.61 -1.05 -1.26 -0.50 118.70 115.18 1sjw s GLU 72 Ca 0.23 -1.08 -0.04 0.00 -0.15 0.00 0.00 54.97 53.94 1sjw s GLU 72 Cb -0.09 0.02 0.13 0.00 -0.44 0.00 0.00 34.13 33.75 1sjw s GLU 72 CO 0.14 -0.05 0.41 0.50 0.95 0.00 0.00 175.26 177.20 1sjw s ARG 73 N -3.14 0.36 6.93 -4.83 3.52 -0.11 -5.00 118.95 116.69 1sjw s ARG 73 Ca 0.02 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.31 1sjw s ARG 73 Cb 0.02 -0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.21 1sjw s ARG 73 CO -0.06 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.30 1sjw n GLY 74 N 5.38 3.05 0.36 8.12 0.00 -1.26 -1.26 105.19 119.58 1sjw n GLY 74 Ca -0.05 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.80 1sjw n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sjw n PRO 75 N 13.80 1.47 -3.74 1.61 -0.04 -1.26 -4.86 135.00 141.98 1sjw n PRO 75 Ca 0.00 -0.71 -0.37 0.00 -0.04 0.00 0.00 63.50 62.38 1sjw n PRO 75 Cb 0.00 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 1sjw n PRO 75 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1sjw s TRP 76 N -1.86 3.65 -0.03 0.54 0.52 -0.39 -0.68 118.94 120.67 1sjw s TRP 76 Ca 0.30 0.70 0.04 0.00 0.02 0.00 0.00 56.10 57.16 1sjw s TRP 76 Cb 0.16 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 1sjw s TRP 76 CO 0.24 0.70 -0.16 0.08 0.02 0.00 0.00 176.95 177.83 1sjw s VAL 77 N -1.05 1.36 -0.17 4.03 1.01 0.12 -0.93 120.40 124.77 1sjw s VAL 77 Ca 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1sjw s VAL 77 Cb -0.14 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1sjw s VAL 77 CO 0.08 0.39 -0.17 -0.75 0.00 0.00 0.00 175.10 174.65 1sjw s LYS 78 N -0.06 3.12 -0.20 2.72 2.20 0.35 -0.90 119.74 126.96 1sjw s LYS 78 Ca -0.01 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 1sjw s LYS 78 Cb -0.10 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 1sjw s LYS 78 CO 0.01 -0.10 -0.04 0.00 -0.36 0.00 0.00 175.35 174.86 1sjw s ALA 79 N 1.08 2.85 -0.40 3.13 0.00 0.64 -0.75 121.76 128.30 1sjw s ALA 79 Ca -0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 1sjw s ALA 79 Cb -0.14 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1sjw s ALA 79 CO -0.06 -0.26 0.40 0.71 0.00 0.00 0.00 175.76 176.55 1sjw s TYR 80 N 1.20 3.19 0.38 0.00 2.02 0.11 -1.05 117.35 123.21 1sjw s TYR 80 Ca 0.02 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1sjw s TYR 80 Cb -0.14 -2.80 -0.06 0.00 -0.40 0.00 0.00 41.96 38.56 1sjw s TYR 80 CO -0.01 -0.63 0.05 -0.51 -1.57 0.00 0.00 175.55 172.88 1sjw s LEU 81 N 2.04 2.37 -0.05 -1.29 1.43 0.05 -0.51 118.68 122.71 1sjw s LEU 81 Ca 0.11 -1.45 0.01 0.00 -1.03 0.00 0.00 54.13 51.77 1sjw s LEU 81 Cb -0.17 -0.53 0.02 0.00 0.03 0.00 0.00 46.19 45.54 1sjw s LEU 81 CO 0.13 -0.64 -0.05 -0.69 0.23 0.00 0.00 176.35 175.33 1sjw s VAL 82 N -3.07 0.60 -0.11 -1.59 1.01 0.00 -0.86 120.40 116.38 1sjw s VAL 82 Ca 0.31 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1sjw s VAL 82 Cb 0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1sjw s VAL 82 CO 0.15 0.25 0.41 -0.22 0.00 0.00 0.00 175.10 175.69 1sjw s LEU 83 N 1.10 4.30 -0.17 3.92 2.96 0.07 -0.62 118.68 130.24 1sjw s LEU 83 Ca -0.08 0.75 -0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1sjw s LEU 83 Cb -0.14 -2.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.97 1sjw s LEU 83 CO -0.01 0.09 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.67 1sjw s TYR 84 N 0.29 2.83 0.08 5.38 2.02 0.42 -0.75 117.35 127.61 1sjw s TYR 84 Ca 0.23 -1.08 -0.01 0.00 -0.37 0.00 0.00 57.07 55.84 1sjw s TYR 84 Cb -0.15 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1sjw s TYR 84 CO 0.09 -0.53 0.12 0.41 -1.57 0.00 0.00 175.55 174.08 1sjw n GLY 85 N 4.31 2.51 2.86 0.71 0.00 -0.42 -0.72 105.19 114.44 1sjw n GLY 85 Ca -0.19 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 1sjw n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sjw s ARG 86 N -2.11 0.03 -0.96 1.61 3.52 -0.45 -1.35 118.95 119.24 1sjw s ARG 86 Ca 0.05 0.26 -0.24 0.00 -0.13 0.00 0.00 55.73 55.67 1sjw s ARG 86 Cb -0.00 -0.18 0.03 0.00 -1.56 0.00 0.00 34.95 33.23 1sjw s ARG 86 CO 0.04 -0.15 1.53 -1.58 -0.81 0.00 0.00 175.30 174.33 1sjw s HIS 87 N 0.99 2.36 -0.60 5.12 5.65 0.25 -3.55 115.29 125.51 1sjw s HIS 87 Ca -0.08 -0.47 0.07 0.00 0.25 0.00 0.00 55.06 54.84 1sjw s HIS 87 Cb -0.11 -4.56 -0.02 0.00 -1.18 0.00 0.00 32.58 26.71 1sjw s HIS 87 CO -0.04 -1.93 0.49 1.33 -0.65 0.00 0.00 174.74 173.94 1sjw n VAL 88 N 7.02 0.00 -4.33 0.89 0.24 -0.53 -0.56 118.33 121.05 1sjw n VAL 88 Ca 0.31 -0.41 -0.22 0.00 -2.04 0.00 0.00 64.34 61.98 1sjw n VAL 88 Cb 0.50 1.07 -0.11 0.00 -1.47 0.00 0.00 33.84 33.83 1sjw n VAL 88 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1sjw s GLY 89 N -1.22 1.40 0.28 7.63 0.00 -0.78 -4.79 107.32 109.84 1sjw s GLY 89 Ca 0.05 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 1sjw s GLY 89 CO 0.20 -1.54 1.38 -2.13 0.00 0.00 0.00 173.10 171.01 1sjw n ARG 90 N 0.29 2.13 -3.75 2.90 0.63 -1.26 -4.32 116.66 113.28 1sjw n ARG 90 Ca -0.13 0.76 -0.23 0.00 -0.92 0.00 0.00 57.85 57.32 1sjw n ARG 90 Cb 0.57 -2.40 -0.17 0.00 0.45 0.00 0.00 32.46 30.91 1sjw n ARG 90 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1sjw s LEU 91 N -0.35 0.60 -1.60 6.15 2.96 -0.53 -4.83 118.68 121.07 1sjw s LEU 91 Ca 0.63 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1sjw s LEU 91 Cb -0.60 -0.42 0.04 0.00 0.50 0.00 0.00 46.19 45.71 1sjw s LEU 91 CO 0.54 -0.22 0.10 1.33 -1.32 0.00 0.00 176.35 176.78 1sjw n VAL 92 N 5.16 -0.82 -0.82 1.68 0.24 -1.26 -0.26 118.33 122.24 1sjw n VAL 92 Ca -0.07 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1sjw n VAL 92 Cb 0.50 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 1sjw n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sjw n GLY 93 N -2.32 0.89 3.58 7.63 0.00 -1.26 -4.59 105.19 109.12 1sjw n GLY 93 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1sjw n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sjw s MET 94 N -0.18 3.83 0.81 1.61 -1.94 0.64 -1.75 119.30 122.31 1sjw s MET 94 Ca 0.00 -0.32 -0.13 0.00 -1.71 0.00 0.00 55.69 53.53 1sjw s MET 94 Cb 0.00 -3.71 0.08 0.00 2.01 0.00 0.00 34.83 33.22 1sjw s MET 94 CO 0.00 -0.29 1.21 -2.30 -0.01 0.00 0.00 175.02 173.62 1sjw n PRO 95 N 5.17 0.19 -1.75 2.03 -0.02 -1.26 -1.46 135.00 137.90 1sjw n PRO 95 Ca -0.12 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1sjw n PRO 95 Cb 0.51 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1sjw n PRO 95 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1sjw s PRO 96 N -4.11 4.15 0.31 0.52 0.02 -1.26 -4.84 135.00 129.78 1sjw s PRO 96 Ca 0.74 2.56 0.24 0.00 0.02 0.00 0.00 61.00 64.56 1sjw s PRO 96 Cb -0.29 -3.57 0.53 0.00 0.02 0.00 0.00 34.50 31.19 1sjw s PRO 96 CO 0.51 -0.82 1.64 1.79 -0.33 0.00 0.00 177.00 179.78 1sjw h THR 97 N 4.66 0.00 -0.52 0.99 1.35 -1.89 -3.48 112.91 114.03 1sjw h THR 97 Ca -0.45 -0.74 -0.22 0.00 -0.55 0.00 0.00 66.41 64.44 1sjw h THR 97 Cb 1.21 1.69 -0.09 0.00 -1.73 0.00 0.00 68.15 69.24 1sjw h THR 97 CO 0.95 0.00 -0.20 -0.67 -0.25 0.00 0.00 175.52 175.34 1sjw n ASP 98 N -2.65 -5.02 -4.77 5.36 -0.08 0.27 -4.99 116.55 104.66 1sjw n ASP 98 Ca 0.04 0.27 -0.39 0.00 -1.51 0.00 0.00 54.79 53.20 1sjw n ASP 98 Cb 0.48 -3.48 -0.06 0.00 2.34 0.00 0.00 41.12 40.41 1sjw n ASP 98 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1sjw s ARG 99 N -2.76 4.42 0.49 -0.67 0.52 -1.26 -4.68 118.95 115.01 1sjw s ARG 99 Ca 0.00 0.96 -0.20 0.00 -0.52 0.00 0.00 55.73 55.97 1sjw s ARG 99 Cb 0.00 -3.30 -0.08 0.00 0.52 0.00 0.00 34.95 32.09 1sjw s ARG 99 CO 0.00 0.46 1.03 1.03 0.02 0.00 0.00 175.30 177.84 1sjw s ARG 100 N -0.63 3.80 0.18 3.54 1.81 -1.26 -0.58 118.95 125.80 1sjw s ARG 100 Ca 0.34 1.30 -0.16 0.00 -1.72 0.00 0.00 55.73 55.49 1sjw s ARG 100 Cb -0.21 -2.10 0.03 0.00 -0.45 0.00 0.00 34.95 32.22 1sjw s ARG 100 CO 0.22 -0.42 0.48 -0.59 -0.68 0.00 0.00 175.30 174.30 1sjw s PHE 101 N -2.08 -0.08 -0.03 -0.53 -0.12 -0.45 -4.76 117.98 109.92 1sjw s PHE 101 Ca 0.66 -0.26 -0.05 0.00 -0.05 0.00 0.00 56.93 57.23 1sjw s PHE 101 Cb -0.15 0.32 0.01 0.00 -0.63 0.00 0.00 43.02 42.57 1sjw s PHE 101 CO 0.21 -0.86 0.12 0.45 -0.05 0.00 0.00 175.22 175.10 1sjw s SER 102 N -2.87 -0.07 -0.21 1.98 0.15 -1.26 -1.30 113.70 110.12 1sjw s SER 102 Ca 0.09 0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.62 1sjw s SER 102 Cb -0.00 0.23 0.06 0.00 -1.71 0.00 0.00 66.02 64.60 1sjw s SER 102 CO -0.04 -0.13 0.61 -0.83 1.20 0.00 0.00 173.24 174.05 1sjw s GLY 103 N -0.35 -0.46 0.68 9.45 0.00 0.07 -4.79 107.32 111.92 1sjw s GLY 103 Ca -0.04 1.66 -0.17 0.00 0.00 0.00 0.00 44.72 46.17 1sjw s GLY 103 CO 0.00 1.41 1.27 -0.54 0.00 0.00 0.00 173.10 175.24 1sjw s GLU 104 N 0.13 2.36 -0.00 2.90 2.02 -1.26 -0.75 118.70 124.09 1sjw s GLU 104 Ca -0.01 1.97 -0.07 0.00 0.02 0.00 0.00 54.97 56.88 1sjw s GLU 104 Cb -0.04 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1sjw s GLU 104 CO 0.02 -1.72 0.14 -0.65 0.02 0.00 0.00 175.26 173.06 1sjw s GLN 105 N -3.57 0.45 -0.09 1.61 -0.21 -0.04 -2.19 119.66 115.62 1sjw s GLN 105 Ca 0.80 -0.35 0.04 0.00 0.02 0.00 0.00 55.36 55.87 1sjw s GLN 105 Cb -0.35 0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.85 1sjw s GLN 105 CO 0.42 -0.10 -0.22 0.08 -2.12 0.00 0.00 175.29 173.34 1sjw s VAL 106 N -1.25 1.94 -0.01 1.09 1.01 -0.94 -0.77 120.40 121.46 1sjw s VAL 106 Ca -0.13 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 60.95 1sjw s VAL 106 Cb -0.07 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1sjw s VAL 106 CO 0.01 0.53 -0.18 -1.00 0.00 0.00 0.00 175.10 174.47 1sjw s HIS 107 N 0.37 2.58 -0.12 5.22 3.76 -0.21 -0.15 115.29 126.74 1sjw s HIS 107 Ca -0.18 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 1sjw s HIS 107 Cb -0.18 -1.54 0.02 0.00 1.11 0.00 0.00 32.58 31.99 1sjw s HIS 107 CO 0.08 0.17 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.83 1sjw s LEU 108 N -0.98 1.70 0.00 0.89 2.96 0.05 -0.26 118.68 123.04 1sjw s LEU 108 Ca 0.12 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1sjw s LEU 108 Cb -0.10 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 1sjw s LEU 108 CO 0.02 -0.00 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.90 1sjw s MET 109 N 1.11 0.83 -0.21 1.98 -1.94 -0.08 -1.08 119.30 119.91 1sjw s MET 109 Ca -0.04 -0.44 -0.08 0.00 -1.71 0.00 0.00 55.69 53.42 1sjw s MET 109 Cb -0.14 -0.80 -0.04 0.00 2.01 0.00 0.00 34.83 35.85 1sjw s MET 109 CO -0.04 0.22 0.08 0.50 -0.01 0.00 0.00 175.02 175.77 1sjw s ARG 110 N -0.43 3.92 -0.16 2.03 3.52 -0.15 -0.70 118.95 126.99 1sjw s ARG 110 Ca 0.03 -0.36 -0.16 0.00 -0.13 0.00 0.00 55.73 55.11 1sjw s ARG 110 Cb -0.05 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1sjw s ARG 110 CO -0.00 0.12 0.38 0.42 -0.81 0.00 0.00 175.30 175.41 1sjw s ILE 111 N 0.80 5.24 -0.13 4.11 -1.09 0.14 -1.11 121.20 129.15 1sjw s ILE 111 Ca 0.04 0.71 -0.00 0.00 -2.23 0.00 0.00 60.65 59.17 1sjw s ILE 111 Cb -0.13 -3.72 0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1sjw s ILE 111 CO 0.02 0.33 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.30 1sjw s VAL 112 N 0.78 1.08 -1.51 2.92 1.01 0.07 -4.79 120.40 119.96 1sjw s VAL 112 Ca 0.20 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1sjw s VAL 112 Cb -0.14 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.12 1sjw s VAL 112 CO 0.07 0.28 0.38 0.47 0.00 0.00 0.00 175.10 176.30 1sjw n ASP 113 N 4.91 -0.55 0.00 3.32 8.00 -1.26 -1.70 116.55 129.27 1sjw n ASP 113 Ca -0.12 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1sjw n ASP 113 Cb 0.49 -2.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.00 1sjw n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sjw n GLY 114 N -2.01 0.81 3.12 0.44 0.00 -1.26 -5.02 105.19 101.27 1sjw n GLY 114 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1sjw n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjw s LYS 115 N -0.36 0.70 -0.19 1.61 1.02 -0.69 -4.82 119.74 117.01 1sjw s LYS 115 Ca 0.00 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.67 1sjw s LYS 115 Cb 0.00 -0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 36.97 1sjw s LYS 115 CO 0.00 0.04 1.21 0.42 -0.92 0.00 0.00 175.35 176.10 1sjw s ILE 116 N -2.30 4.36 -0.13 2.17 1.01 0.15 -0.75 121.20 125.72 1sjw s ILE 116 Ca 0.00 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.27 1sjw s ILE 116 Cb -0.04 -4.08 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 1sjw s ILE 116 CO -0.01 -0.17 -0.14 -1.14 0.00 0.00 0.00 174.94 173.48 1sjw n ARG 117 N 6.59 0.29 -4.62 2.79 0.63 -0.27 -0.65 116.66 121.42 1sjw n ARG 117 Ca 0.13 0.10 -0.33 0.00 -0.92 0.00 0.00 57.85 56.83 1sjw n ARG 117 Cb 0.45 -1.11 -0.13 0.00 0.45 0.00 0.00 32.46 32.12 1sjw n ARG 117 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1sjw s ASP 118 N -5.67 4.38 -0.08 6.15 1.01 -1.18 -1.71 116.67 119.58 1sjw s ASP 118 Ca -0.17 -0.22 -0.03 0.00 0.71 0.00 0.00 52.55 52.83 1sjw s ASP 118 Cb 0.06 -1.63 0.04 0.00 1.01 0.00 0.00 42.92 42.40 1sjw s ASP 118 CO 0.26 0.19 0.14 -2.28 0.21 0.00 0.00 175.17 173.68 1sjw s HIS 119 N 0.24 -0.14 0.03 4.23 2.46 -0.95 -0.97 115.29 120.19 1sjw s HIS 119 Ca -0.06 0.54 0.08 0.00 0.47 0.00 0.00 55.06 56.10 1sjw s HIS 119 Cb -0.15 -0.29 -0.03 0.00 -0.13 0.00 0.00 32.58 31.99 1sjw s HIS 119 CO 0.04 -0.25 -0.25 0.50 -2.47 0.00 0.00 174.74 172.31 1sjw s ARG 120 N 2.22 1.73 0.06 2.88 3.52 -0.24 -4.04 118.95 125.07 1sjw s ARG 120 Ca 0.03 -1.02 0.05 0.00 -0.13 0.00 0.00 55.73 54.67 1sjw s ARG 120 Cb -0.12 -1.85 -0.03 0.00 -1.56 0.00 0.00 34.95 31.40 1sjw s ARG 120 CO -0.05 0.48 -0.15 0.16 -0.81 0.00 0.00 175.30 174.93 1sjw s ASP 121 N -1.08 1.82 -0.44 -2.12 -4.77 -1.26 -0.77 116.67 108.05 1sjw s ASP 121 Ca 0.10 -0.53 0.02 0.00 -3.30 0.00 0.00 52.55 48.84 1sjw s ASP 121 Cb -0.10 -0.10 0.13 0.00 -1.09 0.00 0.00 42.92 41.76 1sjw s ASP 121 CO 0.01 0.01 0.22 0.26 0.70 0.00 0.00 175.17 176.38 1sjw s TRP 122 N -1.01 2.36 0.84 2.11 0.51 0.79 -5.01 118.94 119.53 1sjw s TRP 122 Ca 0.01 -2.58 -0.10 0.00 -2.12 0.00 0.00 56.10 51.31 1sjw s TRP 122 Cb -0.09 -2.16 0.10 0.00 -0.81 0.00 0.00 33.47 30.51 1sjw s TRP 122 CO 0.02 -0.79 1.11 -2.14 -0.51 0.00 0.00 176.95 174.64 1sjw s PRO 123 N 0.34 1.68 -1.32 4.98 0.02 -1.26 -2.22 135.00 137.22 1sjw s PRO 123 Ca 0.16 1.25 -0.14 0.00 0.02 0.00 0.00 61.00 62.30 1sjw s PRO 123 Cb -0.24 -1.82 0.11 0.00 0.02 0.00 0.00 34.50 32.56 1sjw s PRO 123 CO -0.02 -2.08 1.84 -3.47 -0.33 0.00 0.00 177.00 172.94 1sjw n ASP 124 N -3.83 4.75 -0.22 2.53 2.03 -0.93 -4.80 116.55 116.08 1sjw n ASP 124 Ca 0.10 -2.95 -0.06 0.00 0.52 0.00 0.00 54.79 52.39 1sjw n ASP 124 Cb 0.53 -1.63 0.04 0.00 -0.72 0.00 0.00 41.12 39.34 1sjw n ASP 124 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1sjw h PHE 125 N 6.65 0.80 -0.52 -0.67 -1.00 -1.91 -1.40 116.94 118.89 1sjw h PHE 125 Ca 0.44 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 61.18 1sjw h PHE 125 Cb 0.76 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 1sjw h PHE 125 CO 1.33 0.52 0.14 1.96 -1.61 0.00 0.00 178.31 180.65 1sjw h GLN 126 N 0.84 0.83 -0.39 1.51 4.20 -1.99 -0.29 115.11 119.81 1sjw h GLN 126 Ca 0.22 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1sjw h GLN 126 Cb -0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1sjw h GLN 126 CO -0.05 0.78 -0.23 0.78 -0.67 0.00 0.00 178.83 179.45 1sjw h GLY 127 N 0.72 0.85 0.98 3.46 0.00 -1.93 -1.02 103.07 106.13 1sjw h GLY 127 Ca 0.16 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1sjw h GLY 127 CO 0.00 0.67 -0.04 -0.84 0.00 0.00 0.00 176.54 176.33 1sjw h THR 128 N 0.68 0.92 -0.71 4.70 2.02 -0.92 -1.31 112.91 118.29 1sjw h THR 128 Ca 0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1sjw h THR 128 Cb 0.75 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1sjw h THR 128 CO 0.06 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 176.33 1sjw h LEU 129 N -0.09 0.74 -0.40 2.58 3.38 -0.88 -0.59 115.31 120.06 1sjw h LEU 129 Ca -0.00 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1sjw h LEU 129 Cb 0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1sjw h LEU 129 CO 0.00 0.52 0.10 0.03 0.09 0.00 0.00 178.44 179.18 1sjw h ARG 130 N 0.88 0.23 0.00 1.13 3.08 -0.98 0.52 114.38 119.24 1sjw h ARG 130 Ca 0.28 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1sjw h ARG 130 Cb -0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1sjw h ARG 130 CO -0.10 0.15 -0.13 1.96 -1.07 0.00 0.00 179.97 180.78 1sjw h GLN 131 N 0.24 0.00 -0.10 0.04 4.20 -0.37 -0.55 115.11 118.56 1sjw h GLN 131 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1sjw h GLN 131 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1sjw h GLN 131 CO -0.23 0.13 0.00 1.28 -0.67 0.00 0.00 178.83 179.33 1sjw n LEU 132 N -3.45 0.88 -0.20 1.46 4.77 -0.31 -4.86 117.00 115.29 1sjw n LEU 132 Ca -0.01 -0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 55.57 1sjw n LEU 132 Cb 0.30 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1sjw n LEU 132 CO 0.30 0.19 -0.02 0.61 -1.33 0.00 0.00 177.39 177.14 1sjw n GLY 133 N 0.93 0.32 3.52 -0.72 0.00 -0.21 -4.27 105.19 104.76 1sjw n GLY 133 Ca 0.13 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1sjw n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjw n ASP 134 N 1.66 -5.93 -4.72 1.61 8.00 0.14 -4.96 116.55 112.36 1sjw n ASP 134 Ca -0.02 -0.81 -0.30 0.00 0.71 0.00 0.00 54.79 54.37 1sjw n ASP 134 Cb 0.46 -3.85 0.13 0.00 -0.02 0.00 0.00 41.12 37.85 1sjw n ASP 134 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1sjw s PRO 135 N -5.13 1.43 0.14 -0.24 0.04 -1.26 -5.06 135.00 124.92 1sjw s PRO 135 Ca 0.36 0.98 0.10 0.00 0.04 0.00 0.00 61.00 62.48 1sjw s PRO 135 Cb -0.11 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1sjw s PRO 135 CO 0.83 -2.17 -0.24 -1.58 0.04 0.00 0.00 177.00 173.88 1sjw s TRP 136 N -2.88 2.11 0.64 0.56 0.52 -1.26 -5.09 118.94 113.53 1sjw s TRP 136 Ca 0.63 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 56.20 1sjw s TRP 136 Cb -0.18 -1.11 -0.01 0.00 -1.15 0.00 0.00 33.47 31.01 1sjw s TRP 136 CO 0.57 0.34 1.12 -1.25 0.02 0.00 0.00 176.95 177.75 1sjw s PRO 137 N -2.25 2.88 0.61 4.98 0.05 -1.26 -4.51 135.00 135.50 1sjw s PRO 137 Ca 0.14 1.45 -0.06 0.00 0.05 0.00 0.00 61.00 62.58 1sjw s PRO 137 Cb -0.09 -1.96 0.13 0.00 0.05 0.00 0.00 34.50 32.64 1sjw s PRO 137 CO 0.06 -1.20 0.83 -0.40 0.05 0.00 0.00 177.00 176.35 1sjw n ASP 138 N -2.20 0.49 -0.06 6.66 5.68 -0.72 -4.91 116.55 121.49 1sjw n ASP 138 Ca 0.11 -1.56 0.12 0.00 -0.50 0.00 0.00 54.79 52.96 1sjw n ASP 138 Cb 0.52 -0.60 0.52 0.00 -1.14 0.00 0.00 41.12 40.41 1sjw n ASP 138 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sjw h ASP 139 N -0.86 0.33 -0.35 -1.12 3.32 -1.97 -1.51 116.42 114.27 1sjw h ASP 139 Ca -0.27 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 1sjw h ASP 139 Cb 0.86 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1sjw h ASP 139 CO 0.23 0.20 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.82 1sjw h GLU 140 N 0.37 0.75 0.00 3.56 4.81 -1.93 -3.48 114.58 118.66 1sjw h GLU 140 Ca 0.26 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1sjw h GLU 140 Cb 0.55 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1sjw h GLU 140 CO -0.07 0.80 0.00 0.41 -0.73 0.00 0.00 179.01 179.42 1sjw n GLY 141 N -0.58 0.66 0.03 1.92 0.00 -0.57 -4.29 105.19 102.36 1sjw n GLY 141 Ca 0.02 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.23 1sjw n GLY 141 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1sjw n TRP 142 N 0.00 0.00 -0.32 1.61 2.14 -1.26 -4.19 117.44 115.42 1sjw n TRP 142 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1sjw n TRP 142 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1sjw n TRP 142 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63