#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g5w h ASP 2 N 0.00 0.45 -0.36 6.55 1.82 -1.99 -3.01 116.42 119.88 1g5w h ASP 2 Ca 0.00 -0.14 0.07 0.00 -0.39 0.00 0.00 57.03 56.56 1g5w h ASP 2 Cb 0.00 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 39.87 1g5w h ASP 2 CO 0.00 0.68 0.25 0.00 -1.61 0.00 0.00 179.24 178.56 1g5w h ALA 3 N 1.36 2.09 0.00 -0.78 0.00 -2.02 -2.69 119.26 117.22 1g5w h ALA 3 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1g5w h ALA 3 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1g5w h ALA 3 CO 0.04 -0.16 -0.23 0.74 0.00 0.00 0.00 179.25 179.64 1g5w h PHE 4 N 0.20 0.00 -3.11 0.00 -1.00 -1.95 -3.46 116.94 107.62 1g5w h PHE 4 Ca 0.16 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.39 1g5w h PHE 4 Cb 0.39 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.89 1g5w h PHE 4 CO -0.00 0.23 1.05 -0.51 -1.61 0.00 0.00 178.31 177.47 1g5w s LEU 5 N -7.52 3.48 0.00 1.54 1.43 -1.02 -4.46 118.68 112.14 1g5w s LEU 5 Ca -0.02 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1g5w s LEU 5 Cb 0.13 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1g5w s LEU 5 CO 0.64 -1.55 0.00 0.61 0.23 0.00 0.00 176.35 176.28 1g5w n GLY 6 N 5.13 0.20 3.85 -3.19 0.00 -0.83 -5.00 105.19 105.35 1g5w n GLY 6 Ca 0.13 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1g5w n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g5w s THR 7 N -1.90 4.94 -0.16 2.61 2.01 -0.83 -2.31 115.64 120.00 1g5w s THR 7 Ca 0.00 0.77 -0.04 0.00 0.31 0.00 0.00 61.69 62.73 1g5w s THR 7 Cb 0.00 -3.72 0.06 0.00 0.01 0.00 0.00 72.50 68.84 1g5w s THR 7 CO 0.00 0.35 0.07 0.26 -0.69 0.00 0.00 174.62 174.61 1g5w s TRP 8 N -1.34 0.40 -0.06 4.92 0.52 -0.56 -0.93 118.94 121.89 1g5w s TRP 8 Ca 0.33 -0.38 -0.05 0.00 0.02 0.00 0.00 56.10 56.03 1g5w s TRP 8 Cb -0.15 -0.76 -0.04 0.00 -1.15 0.00 0.00 33.47 31.37 1g5w s TRP 8 CO 0.18 -0.49 0.16 0.15 0.02 0.00 0.00 176.95 176.96 1g5w s LYS 9 N 2.07 3.42 0.03 4.98 1.02 -0.79 -1.84 119.74 128.62 1g5w s LYS 9 Ca 0.02 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.46 1g5w s LYS 9 Cb -0.16 -3.13 -0.07 0.00 -0.52 0.00 0.00 37.83 33.96 1g5w s LYS 9 CO -0.08 0.72 1.57 -1.17 -0.92 0.00 0.00 175.35 175.47 1g5w s LEU 10 N -1.48 4.34 -0.26 3.17 2.96 -1.26 -2.66 118.68 123.50 1g5w s LEU 10 Ca 0.21 2.34 -0.14 0.00 -0.22 0.00 0.00 54.13 56.32 1g5w s LEU 10 Cb -0.12 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.86 1g5w s LEU 10 CO 0.11 -0.84 -0.19 0.52 -1.32 0.00 0.00 176.35 174.64 1g5w n VAL 11 N 4.78 1.54 -3.89 1.68 0.31 -0.54 -4.91 118.33 117.29 1g5w n VAL 11 Ca 0.15 -0.34 -0.11 0.00 -0.01 0.00 0.00 64.34 64.03 1g5w n VAL 11 Cb 0.42 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 31.39 1g5w n VAL 11 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1g5w s ASP 12 N -7.24 0.07 -0.33 4.52 -1.08 -0.86 -5.01 116.67 106.75 1g5w s ASP 12 Ca -0.36 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.40 1g5w s ASP 12 Cb 0.12 0.19 0.11 0.00 -1.46 0.00 0.00 42.92 41.87 1g5w s ASP 12 CO 0.54 -0.37 0.12 -0.94 0.52 0.00 0.00 175.17 175.04 1g5w s SER 13 N -1.44 4.02 -0.08 -0.34 1.04 -1.26 -1.75 113.70 113.88 1g5w s SER 13 Ca -0.15 -1.86 -0.25 0.00 0.48 0.00 0.00 55.95 54.17 1g5w s SER 13 Cb -0.08 -0.95 -0.03 0.00 0.10 0.00 0.00 66.02 65.06 1g5w s SER 13 CO 0.01 -0.39 0.80 -0.54 0.98 0.00 0.00 173.24 174.10 1g5w s LYS 14 N 1.33 4.43 -1.51 4.02 1.02 -0.99 -4.45 119.74 123.60 1g5w s LYS 14 Ca 0.11 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1g5w s LYS 14 Cb -0.19 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1g5w s LYS 14 CO -0.19 -0.07 0.00 0.09 -0.92 0.00 0.00 175.35 174.26 1g5w n ASN 15 N 4.20 -4.79 0.08 2.83 3.02 -1.26 -2.87 115.26 116.46 1g5w n ASN 15 Ca 0.02 0.19 -0.12 0.00 -0.03 0.00 0.00 54.58 54.64 1g5w n ASN 15 Cb 0.51 -3.80 -0.08 0.00 -0.61 0.00 0.00 39.78 35.80 1g5w n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1g5w h PHE 16 N 0.00 -0.22 -0.97 3.10 3.57 -1.92 -2.27 116.94 118.24 1g5w h PHE 16 Ca -0.35 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.46 1g5w h PHE 16 Cb 1.15 0.07 -0.18 0.00 2.79 0.00 0.00 35.95 39.78 1g5w h PHE 16 CO 0.43 0.18 0.17 -0.40 -2.23 0.00 0.00 178.31 176.46 1g5w n ASP 17 N -4.99 0.02 0.03 0.41 5.68 -1.26 -1.06 116.55 115.38 1g5w n ASP 17 Ca -0.09 1.63 -0.13 0.00 -0.50 0.00 0.00 54.79 55.71 1g5w n ASP 17 Cb 0.26 -0.65 -0.08 0.00 -1.14 0.00 0.00 41.12 39.50 1g5w n ASP 17 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1g5w h ASP 18 N 0.00 -0.03 -0.52 -1.12 1.82 -1.94 -1.50 116.42 113.13 1g5w h ASP 18 Ca 0.66 -0.19 0.10 0.00 -0.39 0.00 0.00 57.03 57.21 1g5w h ASP 18 Cb 1.49 0.01 -0.08 0.00 0.68 0.00 0.00 39.33 41.43 1g5w h ASP 18 CO -0.86 0.17 0.04 0.22 -1.61 0.00 0.00 179.24 177.20 1g5w h TYR 19 N -0.23 0.05 -0.65 0.28 3.20 -1.16 -1.85 116.97 116.61 1g5w h TYR 19 Ca -0.00 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1g5w h TYR 19 Cb 0.22 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1g5w h TYR 19 CO -0.01 -0.08 0.07 0.52 -1.64 0.00 0.00 178.16 177.02 1g5w h MET 20 N 0.17 1.10 -0.66 1.82 2.86 -1.11 -2.01 114.93 117.09 1g5w h MET 20 Ca 0.26 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1g5w h MET 20 Cb 0.39 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1g5w h MET 20 CO -0.40 1.03 0.40 -0.22 1.06 0.00 0.00 176.91 178.78 1g5w h LYS 21 N 1.01 0.89 -0.96 1.72 3.64 -1.25 -2.21 116.57 119.41 1g5w h LYS 21 Ca 0.19 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1g5w h LYS 21 Cb 0.49 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1g5w h LYS 21 CO 0.02 0.64 0.63 0.77 -2.27 0.00 0.00 179.45 179.24 1g5w h SER 22 N 0.90 1.06 -0.54 4.20 0.02 -1.23 -3.06 113.55 114.90 1g5w h SER 22 Ca 0.24 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1g5w h SER 22 Cb -0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1g5w h SER 22 CO -0.04 0.74 0.13 -0.07 -1.14 0.00 0.00 176.83 176.45 1g5w h LEU 23 N 1.24 0.83 0.00 5.07 3.38 -1.35 -3.49 115.31 120.98 1g5w h LEU 23 Ca 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1g5w h LEU 23 Cb -0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1g5w h LEU 23 CO -0.10 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.88 1g5w n GLY 24 N -0.62 0.74 2.83 0.83 0.00 -0.86 -5.12 105.19 103.00 1g5w n GLY 24 Ca 0.02 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1g5w n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g5w s VAL 25 N -0.51 0.32 0.00 1.61 1.01 -1.01 -5.02 120.40 116.81 1g5w s VAL 25 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1g5w s VAL 25 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1g5w s VAL 25 CO 0.00 0.19 0.33 0.61 0.00 0.00 0.00 175.10 176.23 1g5w n GLY 26 N 4.30 -1.40 2.00 4.51 0.00 -1.26 -4.57 105.19 108.78 1g5w n GLY 26 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1g5w n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1g5w n PHE 27 N -0.49 -1.70 -0.29 1.61 -1.74 -1.26 -4.88 117.46 108.71 1g5w n PHE 27 Ca 0.00 0.04 -0.05 0.00 -0.56 0.00 0.00 57.45 56.88 1g5w n PHE 27 Cb 0.00 0.57 0.07 0.00 1.52 0.00 0.00 39.48 41.64 1g5w n PHE 27 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1g5w h ALA 28 N 0.00 1.00 0.16 1.98 0.00 -2.00 -1.99 119.26 118.42 1g5w h ALA 28 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 1g5w h ALA 28 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1g5w h ALA 28 CO 0.00 0.48 -1.31 1.15 0.00 0.00 0.00 179.25 179.57 1g5w h THR 29 N 1.08 1.44 -0.63 0.00 2.02 -1.97 -3.13 112.91 111.72 1g5w h THR 29 Ca 0.28 -2.97 0.03 0.00 0.77 0.00 0.00 66.41 64.52 1g5w h THR 29 Cb -0.03 2.97 -0.04 0.00 -1.74 0.00 0.00 68.15 69.32 1g5w h THR 29 CO -0.05 0.87 0.39 -0.09 0.37 0.00 0.00 175.52 177.01 1g5w h ARG 30 N 0.09 0.74 0.06 6.66 2.43 -1.86 -2.29 114.38 120.22 1g5w h ARG 30 Ca -0.17 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.66 1g5w h ARG 30 Cb 2.03 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 31.38 1g5w h ARG 30 CO 0.22 0.49 -1.61 1.96 -1.51 0.00 0.00 179.97 179.52 1g5w h GLN 31 N 0.76 0.13 -0.16 0.20 1.08 -1.54 -3.23 115.11 112.36 1g5w h GLN 31 Ca 0.25 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1g5w h GLN 31 Cb 0.02 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1g5w h GLN 31 CO -0.10 0.89 -0.13 0.28 -0.95 0.00 0.00 178.83 178.81 1g5w h VAL 32 N 0.04 1.34 0.00 -0.54 2.07 -1.63 -3.17 116.25 114.35 1g5w h VAL 32 Ca -0.26 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1g5w h VAL 32 Cb 1.99 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1g5w h VAL 32 CO 0.12 0.37 -0.13 0.00 0.02 0.00 0.00 177.57 177.95 1g5w h ALA 33 N 0.63 1.22 -0.03 1.67 0.00 -1.60 -2.26 119.26 118.91 1g5w h ALA 33 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1g5w h ALA 33 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1g5w h ALA 33 CO 0.03 0.17 -0.01 0.66 0.00 0.00 0.00 179.25 180.10 1g5w h SER 34 N 0.00 0.05 0.44 0.00 4.64 -1.63 -3.30 113.55 113.75 1g5w h SER 34 Ca -0.00 -0.41 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1g5w h SER 34 Cb 0.40 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1g5w h SER 34 CO 0.02 0.45 -0.09 0.00 -0.87 0.00 0.00 176.83 176.34 1g5w h MET 35 N -0.34 0.00 -7.10 4.77 -0.00 -1.52 -3.46 114.93 107.28 1g5w h MET 35 Ca 0.01 0.00 -0.51 0.00 -0.00 0.00 0.00 59.70 59.20 1g5w h MET 35 Cb 0.43 0.00 0.08 0.00 -0.00 0.00 0.00 31.60 32.11 1g5w h MET 35 CO 0.00 0.09 0.43 0.99 -0.00 0.00 0.00 176.91 178.42 1g5w s THR 36 N -4.08 3.09 -0.59 -0.10 2.01 -0.85 -5.05 115.64 110.06 1g5w s THR 36 Ca -0.02 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 1g5w s THR 36 Cb 0.12 -3.24 0.13 0.00 0.01 0.00 0.00 72.50 69.53 1g5w s THR 36 CO 0.55 -0.17 0.58 -1.59 -0.69 0.00 0.00 174.62 173.30 1g5w s LYS 37 N -3.41 3.07 -0.99 4.92 -2.85 -1.26 -5.00 119.74 114.23 1g5w s LYS 37 Ca 0.73 -1.71 -0.22 0.00 -1.00 0.00 0.00 55.97 53.76 1g5w s LYS 37 Cb -0.24 -4.32 0.07 0.00 -2.06 0.00 0.00 37.83 31.28 1g5w s LYS 37 CO 0.30 -1.38 1.37 -1.25 0.10 0.00 0.00 175.35 174.50 1g5w s PRO 38 N 1.68 3.58 -0.46 1.78 0.04 -1.26 -4.56 135.00 135.79 1g5w s PRO 38 Ca 0.07 -1.23 -0.29 0.00 0.04 0.00 0.00 61.00 59.58 1g5w s PRO 38 Cb -0.26 -5.22 0.03 0.00 0.04 0.00 0.00 34.50 29.08 1g5w s PRO 38 CO 0.02 -2.11 1.14 0.99 0.04 0.00 0.00 177.00 177.09 1g5w s THR 39 N 4.50 4.22 -0.32 1.26 2.01 -0.66 -4.56 115.64 122.08 1g5w s THR 39 Ca 0.43 1.26 -0.24 0.00 0.31 0.00 0.00 61.69 63.45 1g5w s THR 39 Cb -0.01 -4.58 0.00 0.00 0.01 0.00 0.00 72.50 67.92 1g5w s THR 39 CO -0.09 -0.96 0.81 -0.89 -0.69 0.00 0.00 174.62 172.80 1g5w s THR 40 N 4.43 4.75 -0.36 -0.82 2.01 -0.77 -1.28 115.64 123.61 1g5w s THR 40 Ca 0.48 1.15 -0.03 0.00 0.31 0.00 0.00 61.69 63.61 1g5w s THR 40 Cb -0.08 -4.18 0.08 0.00 0.01 0.00 0.00 72.50 68.33 1g5w s THR 40 CO 0.30 -0.31 0.11 -0.63 -0.69 0.00 0.00 174.62 173.40 1g5w s ILE 41 N 3.05 3.26 -0.23 1.82 1.01 -0.53 -1.50 121.20 128.08 1g5w s ILE 41 Ca 0.33 -1.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.16 1g5w s ILE 41 Cb -0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1g5w s ILE 41 CO 0.14 -0.40 0.40 -0.63 0.00 0.00 0.00 174.94 174.45 1g5w s ILE 42 N 1.22 5.18 -0.12 2.92 1.09 -0.98 -1.76 121.20 128.76 1g5w s ILE 42 Ca 0.02 0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 60.24 1g5w s ILE 42 Cb -0.21 -3.73 0.03 0.00 -1.06 0.00 0.00 42.46 37.49 1g5w s ILE 42 CO -0.02 0.20 -0.03 -0.70 -0.10 0.00 0.00 174.94 174.30 1g5w s GLU 43 N 1.66 1.03 -0.31 2.79 -6.30 -0.94 -1.97 118.70 114.66 1g5w s GLU 43 Ca 0.18 -0.18 -0.20 0.00 -2.50 0.00 0.00 54.97 52.27 1g5w s GLU 43 Cb -0.15 -1.48 -0.01 0.00 0.00 0.00 0.00 34.13 32.49 1g5w s GLU 43 CO 0.09 -0.36 0.63 0.21 0.02 0.00 0.00 175.26 175.85 1g5w s LYS 44 N 1.82 3.89 -0.09 4.30 2.20 -1.26 -1.64 119.74 128.96 1g5w s LYS 44 Ca 0.03 0.29 -0.14 0.00 -0.36 0.00 0.00 55.97 55.80 1g5w s LYS 44 Cb -0.13 -3.73 -0.11 0.00 -1.51 0.00 0.00 37.83 32.34 1g5w s LYS 44 CO -0.07 -0.58 0.48 -0.97 -0.36 0.00 0.00 175.35 173.85 1g5w h ASN 45 N 8.20 -0.10 0.00 1.43 -0.73 -1.85 -3.50 115.58 119.03 1g5w h ASN 45 Ca -0.27 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.57 1g5w h ASN 45 Cb 1.12 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.73 1g5w h ASN 45 CO 0.81 0.53 0.00 0.61 -0.37 0.00 0.00 177.43 179.00 1g5w n GLY 46 N 1.28 -1.33 0.20 1.57 0.00 -1.26 -4.94 105.19 100.71 1g5w n GLY 46 Ca -0.05 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.33 1g5w n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1g5w h ASP 47 N 0.00 0.75 -2.98 1.61 5.19 -1.96 -3.46 116.42 115.57 1g5w h ASP 47 Ca 0.00 -0.52 -0.57 0.00 -0.62 0.00 0.00 57.03 55.32 1g5w h ASP 47 Cb 0.00 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.24 1g5w h ASP 47 CO 0.00 1.30 0.85 -0.63 -3.12 0.00 0.00 179.24 177.64 1g5w s ILE 48 N -3.60 4.40 -0.42 0.35 -1.09 -1.26 -4.32 121.20 115.26 1g5w s ILE 48 Ca -0.08 1.69 -0.15 0.00 -2.23 0.00 0.00 60.65 59.88 1g5w s ILE 48 Cb 0.09 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1g5w s ILE 48 CO 0.88 -0.13 0.33 -0.76 -1.23 0.00 0.00 174.94 174.03 1g5w s LEU 49 N 3.28 5.19 -0.58 2.97 1.43 -0.54 -2.13 118.68 128.32 1g5w s LEU 49 Ca 0.52 -0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 52.46 1g5w s LEU 49 Cb -0.20 -2.19 0.10 0.00 0.03 0.00 0.00 46.19 43.94 1g5w s LEU 49 CO 0.13 -0.51 0.67 -0.89 0.23 0.00 0.00 176.35 175.98 1g5w s THR 50 N 1.72 4.88 -0.45 5.49 2.01 -0.65 -1.96 115.64 126.67 1g5w s THR 50 Ca 0.05 -1.01 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 1g5w s THR 50 Cb -0.20 -4.45 0.06 0.00 0.01 0.00 0.00 72.50 67.92 1g5w s THR 50 CO 0.10 -1.06 0.36 -0.22 -0.69 0.00 0.00 174.62 173.11 1g5w s LEU 51 N 2.53 5.47 -0.38 4.42 0.20 -0.41 -2.22 118.68 128.29 1g5w s LEU 51 Ca 0.11 -1.23 -0.13 0.00 0.69 0.00 0.00 54.13 53.57 1g5w s LEU 51 Cb -0.24 -2.16 0.01 0.00 -0.43 0.00 0.00 46.19 43.36 1g5w s LEU 51 CO 0.06 -0.59 0.24 -0.54 -0.29 0.00 0.00 176.35 175.24 1g5w s LYS 52 N 1.64 3.06 -0.75 1.98 1.02 -0.72 -2.04 119.74 123.92 1g5w s LYS 52 Ca 0.04 -0.94 -0.17 0.00 0.02 0.00 0.00 55.97 54.92 1g5w s LYS 52 Cb -0.23 -3.83 0.15 0.00 -0.52 0.00 0.00 37.83 33.40 1g5w s LYS 52 CO 0.07 -0.64 0.83 0.99 -0.92 0.00 0.00 175.35 175.68 1g5w s THR 53 N 1.64 5.04 -0.70 2.17 2.01 -0.72 -1.46 115.64 123.62 1g5w s THR 53 Ca 0.04 -1.60 -0.27 0.00 0.31 0.00 0.00 61.69 60.18 1g5w s THR 53 Cb -0.19 -4.56 0.04 0.00 0.01 0.00 0.00 72.50 67.80 1g5w s THR 53 CO 0.09 -1.19 1.22 -1.00 -0.69 0.00 0.00 174.62 173.05 1g5w s HIS 54 N 1.91 2.38 0.03 4.92 3.76 -0.40 -3.03 115.29 124.87 1g5w s HIS 54 Ca 0.19 -0.04 0.05 0.00 -0.15 0.00 0.00 55.06 55.10 1g5w s HIS 54 Cb -0.15 -4.56 -0.03 0.00 1.11 0.00 0.00 32.58 28.94 1g5w s HIS 54 CO -0.02 -1.94 -0.10 0.45 -0.85 0.00 0.00 174.74 172.27 1g5w s SER 55 N 3.60 4.36 0.60 1.40 0.15 -1.26 -1.66 113.70 120.89 1g5w s SER 55 Ca 0.34 -0.26 0.29 0.00 0.70 0.00 0.00 55.95 57.02 1g5w s SER 55 Cb -0.09 -0.91 1.49 0.00 -1.71 0.00 0.00 66.02 64.80 1g5w s SER 55 CO 0.16 0.26 1.90 0.74 1.20 0.00 0.00 173.24 177.49 1g5w h THR 56 N 3.72 0.33 -3.42 6.45 2.02 -1.95 -3.21 112.91 116.85 1g5w h THR 56 Ca -0.48 0.00 -0.72 0.00 0.77 0.00 0.00 66.41 65.98 1g5w h THR 56 Cb 1.16 0.62 -0.34 0.00 -1.74 0.00 0.00 68.15 67.86 1g5w h THR 56 CO 0.52 0.00 -0.09 0.12 0.37 0.00 0.00 175.52 176.44 1g5w s PHE 57 N -4.56 3.82 0.12 3.16 5.36 -1.26 -5.00 117.98 119.61 1g5w s PHE 57 Ca -0.04 -2.87 0.00 0.00 -0.96 0.00 0.00 56.93 53.06 1g5w s PHE 57 Cb 0.15 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 1g5w s PHE 57 CO 0.52 -0.79 0.00 1.63 -1.46 0.00 0.00 175.22 175.12 1g5w n LYS 58 N 2.70 -5.11 -2.64 10.12 5.02 -1.21 -4.86 118.16 122.18 1g5w n LYS 58 Ca 0.18 3.69 -0.43 0.00 -2.02 0.00 0.00 58.31 59.73 1g5w n LYS 58 Cb 0.38 -4.22 -0.02 0.00 -0.02 0.00 0.00 35.03 31.15 1g5w n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1g5w s ASN 59 N -0.52 7.12 -0.18 4.39 4.22 -1.26 -4.40 114.94 124.30 1g5w s ASN 59 Ca 0.00 1.45 -0.16 0.00 -2.14 0.00 0.00 52.86 52.01 1g5w s ASN 59 Cb 0.00 -2.54 -0.04 0.00 1.28 0.00 0.00 41.25 39.95 1g5w s ASN 59 CO 0.00 -0.63 0.41 0.42 -2.04 0.00 0.00 177.10 175.27 1g5w s THR 60 N 2.94 5.20 -0.32 0.54 -4.23 -1.17 -4.93 115.64 113.67 1g5w s THR 60 Ca 0.46 0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 61.64 1g5w s THR 60 Cb -0.17 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 69.94 1g5w s THR 60 CO 0.10 0.27 0.14 -0.70 -0.54 0.00 0.00 174.62 173.89 1g5w s GLU 61 N 1.16 3.12 -0.13 3.99 -6.30 -1.26 -1.76 118.70 117.51 1g5w s GLU 61 Ca 0.20 -0.86 0.01 0.00 -2.50 0.00 0.00 54.97 51.82 1g5w s GLU 61 Cb -0.15 -3.54 -0.01 0.00 0.00 0.00 0.00 34.13 30.44 1g5w s GLU 61 CO 0.08 -0.50 -0.17 0.96 0.02 0.00 0.00 175.26 175.65 1g5w s ILE 62 N 1.56 2.63 -0.25 -3.70 -4.36 -0.87 -4.99 121.20 111.22 1g5w s ILE 62 Ca 0.03 -0.81 -0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1g5w s ILE 62 Cb -0.18 -2.08 0.04 0.00 1.25 0.00 0.00 42.46 41.49 1g5w s ILE 62 CO 0.05 0.53 -0.08 -0.94 0.24 0.00 0.00 174.94 174.75 1g5w s SER 63 N 0.46 4.33 0.00 4.36 1.04 -1.26 -1.29 113.70 121.35 1g5w s SER 63 Ca -0.12 -1.06 -0.02 0.00 0.48 0.00 0.00 55.95 55.23 1g5w s SER 63 Cb -0.16 -1.62 -0.01 0.00 0.10 0.00 0.00 66.02 64.33 1g5w s SER 63 CO 0.05 -0.16 0.03 0.72 0.98 0.00 0.00 173.24 174.87 1g5w s PHE 64 N 1.25 0.09 -0.19 5.02 -0.12 -0.83 -4.91 117.98 118.30 1g5w s PHE 64 Ca -0.03 -0.18 0.15 0.00 -0.05 0.00 0.00 56.93 56.82 1g5w s PHE 64 Cb -0.18 -0.08 0.41 0.00 -0.63 0.00 0.00 43.02 42.54 1g5w s PHE 64 CO -0.05 -0.13 1.28 1.63 -0.05 0.00 0.00 175.22 177.90 1g5w n LYS 65 N 2.21 1.80 -2.33 1.99 5.02 -1.26 -1.47 118.16 124.11 1g5w n LYS 65 Ca -0.19 -2.91 -0.02 0.00 -2.02 0.00 0.00 58.31 53.18 1g5w n LYS 65 Cb 0.57 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1g5w n LYS 65 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1g5w n LEU 66 N -1.12 -5.76 -0.17 -0.35 4.32 -1.25 -4.68 117.00 108.00 1g5w n LEU 66 Ca 0.21 1.31 0.00 0.00 -0.02 0.00 0.00 56.01 57.50 1g5w n LEU 66 Cb 0.78 -2.67 0.00 0.00 -1.62 0.00 0.00 43.42 39.90 1g5w n LEU 66 CO 0.06 -2.58 0.00 0.61 -1.22 0.00 0.00 177.39 174.27 1g5w n GLY 67 N 0.81 0.77 2.77 -0.72 0.00 -0.35 -4.92 105.19 103.54 1g5w n GLY 67 Ca -0.13 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 1g5w n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g5w s VAL 68 N -2.34 0.41 0.07 1.61 1.01 -1.26 -5.05 120.40 114.84 1g5w s VAL 68 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 1g5w s VAL 68 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1g5w s VAL 68 CO 0.00 0.18 0.73 -0.70 0.00 0.00 0.00 175.10 175.30 1g5w s GLU 69 N 1.95 4.46 -0.05 2.72 2.12 -1.26 -4.46 118.70 124.18 1g5w s GLU 69 Ca 0.04 1.01 -0.05 0.00 0.36 0.00 0.00 54.97 56.33 1g5w s GLU 69 Cb -0.13 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.95 1g5w s GLU 69 CO -0.06 0.39 0.14 -0.59 -0.54 0.00 0.00 175.26 174.60 1g5w s PHE 70 N -0.41 -0.16 0.17 5.30 -0.71 -0.73 -4.96 117.98 116.49 1g5w s PHE 70 Ca 0.36 0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 56.34 1g5w s PHE 70 Cb -0.21 0.04 -0.07 0.00 -1.21 0.00 0.00 43.02 41.57 1g5w s PHE 70 CO 0.22 -0.08 1.10 0.16 -1.34 0.00 0.00 175.22 175.29 1g5w s ASP 71 N 0.15 7.26 -0.09 1.98 1.47 -1.26 -1.40 116.67 124.79 1g5w s ASP 71 Ca -0.01 2.08 -0.07 0.00 1.18 0.00 0.00 52.55 55.73 1g5w s ASP 71 Cb -0.02 -2.60 0.03 0.00 -0.34 0.00 0.00 42.92 39.99 1g5w s ASP 71 CO -0.00 -0.23 0.22 -0.70 0.68 0.00 0.00 175.17 175.14 1g5w s GLU 72 N -0.27 0.23 -0.17 2.11 2.56 -0.86 -4.98 118.70 117.31 1g5w s GLU 72 Ca 0.50 0.38 -0.13 0.00 0.00 0.00 0.00 54.97 55.71 1g5w s GLU 72 Cb -0.29 0.04 -0.05 0.00 2.00 0.00 0.00 34.13 35.83 1g5w s GLU 72 CO 0.34 -0.08 0.26 0.99 -0.56 0.00 0.00 175.26 176.22 1g5w s THR 73 N 0.51 5.33 0.66 -1.70 2.01 -1.26 -1.44 115.64 119.76 1g5w s THR 73 Ca -0.03 0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 1g5w s THR 73 Cb -0.05 -3.60 0.07 0.00 0.01 0.00 0.00 72.50 68.93 1g5w s THR 73 CO -0.03 0.40 0.94 0.42 -0.69 0.00 0.00 174.62 175.66 1g5w s THR 74 N 0.45 2.38 0.28 -0.82 -4.23 -0.99 -4.90 115.64 107.80 1g5w s THR 74 Ca 0.15 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1g5w s THR 74 Cb -0.13 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 71.07 1g5w s THR 74 CO 0.03 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.94 1g5w h ALA 75 N -0.39 1.48 -0.87 3.99 0.00 -1.89 -2.96 119.26 118.63 1g5w h ALA 75 Ca -0.42 0.03 -0.76 0.00 0.00 0.00 0.00 54.91 53.75 1g5w h ALA 75 Cb 1.30 -0.19 -0.18 0.00 0.00 0.00 0.00 17.79 18.71 1g5w h ALA 75 CO 0.53 0.20 1.86 -3.47 0.00 0.00 0.00 179.25 178.36 1g5w n ASP 76 N -4.64 7.77 -1.74 0.00 2.03 -1.26 -4.88 116.55 113.83 1g5w n ASP 76 Ca 0.19 -3.35 -0.03 0.00 0.52 0.00 0.00 54.79 52.11 1g5w n ASP 76 Cb 0.36 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1g5w n ASP 76 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1g5w n ASP 77 N 1.02 -0.44 -3.66 1.67 2.03 -1.12 -4.98 116.55 111.08 1g5w n ASP 77 Ca 0.57 -0.04 -0.21 0.00 0.52 0.00 0.00 54.79 55.62 1g5w n ASP 77 Cb 0.26 -0.14 -0.18 0.00 -0.72 0.00 0.00 41.12 40.34 1g5w n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1g5w s ARG 78 N -0.97 -0.01 -0.27 -0.67 3.52 -1.26 -4.92 118.95 114.36 1g5w s ARG 78 Ca 0.02 0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 55.60 1g5w s ARG 78 Cb -0.00 -0.81 -0.01 0.00 -1.56 0.00 0.00 34.95 32.57 1g5w s ARG 78 CO 0.08 -0.40 1.43 -1.59 -0.81 0.00 0.00 175.30 174.00 1g5w s LYS 79 N 2.15 3.86 -0.03 5.12 0.00 -1.26 -2.34 119.74 127.23 1g5w s LYS 79 Ca 0.04 1.40 0.01 0.00 0.00 0.00 0.00 55.97 57.42 1g5w s LYS 79 Cb -0.13 -3.94 0.02 0.00 0.00 0.00 0.00 37.83 33.77 1g5w s LYS 79 CO -0.04 -1.20 -0.04 0.14 0.00 0.00 0.00 175.35 174.20 1g5w s VAL 80 N 4.73 0.48 -0.29 1.79 -7.23 -0.52 -4.66 120.40 114.70 1g5w s VAL 80 Ca 0.62 -0.13 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 1g5w s VAL 80 Cb -0.20 -0.49 -0.00 0.00 0.56 0.00 0.00 36.38 36.25 1g5w s VAL 80 CO 0.26 0.19 0.76 -0.75 -0.31 0.00 0.00 175.10 175.25 1g5w s LYS 81 N 0.66 4.02 -0.28 4.82 2.20 -0.48 -2.04 119.74 128.64 1g5w s LYS 81 Ca -0.08 0.62 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 1g5w s LYS 81 Cb -0.12 -3.70 0.06 0.00 -1.51 0.00 0.00 37.83 32.56 1g5w s LYS 81 CO -0.00 -0.60 -0.05 -1.12 -0.36 0.00 0.00 175.35 173.21 1g5w s SER 82 N 1.55 4.68 -0.20 1.43 0.01 -0.49 -1.80 113.70 118.88 1g5w s SER 82 Ca 0.31 -1.35 0.01 0.00 1.31 0.00 0.00 55.95 56.23 1g5w s SER 82 Cb -0.15 -1.63 0.04 0.00 0.21 0.00 0.00 66.02 64.49 1g5w s SER 82 CO 0.11 -0.23 -0.13 -0.51 0.41 0.00 0.00 173.24 172.89 1g5w s ILE 83 N 1.17 1.80 -0.09 1.44 1.10 -0.84 -1.78 121.20 124.01 1g5w s ILE 83 Ca -0.07 -1.03 0.03 0.00 -0.51 0.00 0.00 60.65 59.07 1g5w s ILE 83 Cb -0.20 -1.80 0.01 0.00 0.15 0.00 0.00 42.46 40.62 1g5w s ILE 83 CO -0.03 0.26 -0.19 0.54 -2.11 0.00 0.00 174.94 173.41 1g5w s VAL 84 N 1.34 1.69 0.10 4.00 0.11 -1.26 -1.63 120.40 124.75 1g5w s VAL 84 Ca -0.00 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 1g5w s VAL 84 Cb -0.16 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 1g5w s VAL 84 CO -0.09 0.48 -0.09 0.28 -3.33 0.00 0.00 175.10 172.35 1g5w s THR 85 N 0.51 0.87 -0.30 5.04 -1.32 -1.05 -1.22 115.64 118.17 1g5w s THR 85 Ca -0.16 -1.74 -0.17 0.00 -1.21 0.00 0.00 61.69 58.40 1g5w s THR 85 Cb -0.17 -1.47 -0.02 0.00 -1.51 0.00 0.00 72.50 69.33 1g5w s THR 85 CO 0.06 -0.67 0.46 -0.22 -2.21 0.00 0.00 174.62 172.04 1g5w s LEU 86 N -2.66 4.17 -0.99 9.08 2.96 -1.26 -1.64 118.68 128.35 1g5w s LEU 86 Ca 0.08 0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 1g5w s LEU 86 Cb -0.00 -2.54 0.25 0.00 0.50 0.00 0.00 46.19 44.39 1g5w s LEU 86 CO -0.01 -0.32 0.93 -0.62 -1.32 0.00 0.00 176.35 175.01 1g5w s ASP 87 N 1.66 6.69 0.00 3.68 -1.08 -0.57 -4.89 116.67 122.17 1g5w s ASP 87 Ca 0.18 -3.54 0.00 0.00 -0.52 0.00 0.00 52.55 48.67 1g5w s ASP 87 Cb -0.16 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1g5w s ASP 87 CO 0.11 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.14 1g5w n GLY 88 N 2.69 2.10 2.58 2.66 0.00 -1.26 -3.38 105.19 110.58 1g5w n GLY 88 Ca 0.21 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1g5w n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g5w n GLY 89 N 0.00 1.78 2.78 -0.02 0.00 -1.26 -4.82 105.19 103.65 1g5w n GLY 89 Ca 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 1g5w n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g5w s LYS 90 N -1.52 0.18 -0.82 1.61 1.02 -1.22 -4.09 119.74 114.90 1g5w s LYS 90 Ca 0.28 0.28 -0.24 0.00 0.02 0.00 0.00 55.97 56.31 1g5w s LYS 90 Cb 0.39 -1.02 0.05 0.00 -0.52 0.00 0.00 37.83 36.73 1g5w s LYS 90 CO -0.04 -0.60 1.25 -0.51 -0.92 0.00 0.00 175.35 174.54 1g5w s LEU 91 N 2.33 3.66 -0.82 3.17 1.43 -0.56 -1.51 118.68 126.39 1g5w s LEU 91 Ca 0.06 -0.97 -0.22 0.00 -1.03 0.00 0.00 54.13 51.97 1g5w s LEU 91 Cb -0.15 -2.52 0.09 0.00 0.03 0.00 0.00 46.19 43.63 1g5w s LEU 91 CO -0.11 -1.60 1.12 -0.69 0.23 0.00 0.00 176.35 175.29 1g5w s VAL 92 N 4.94 4.37 0.04 -1.59 1.01 -0.65 -1.90 120.40 126.62 1g5w s VAL 92 Ca 0.35 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1g5w s VAL 92 Cb -0.07 -4.79 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 1g5w s VAL 92 CO 0.05 -1.58 0.24 -2.28 0.00 0.00 0.00 175.10 171.53 1g5w s HIS 93 N 3.83 3.53 -0.11 5.22 5.04 -1.15 -2.52 115.29 129.12 1g5w s HIS 93 Ca 0.30 0.38 -0.04 0.00 -1.54 0.00 0.00 55.06 54.17 1g5w s HIS 93 Cb -0.09 -1.86 0.06 0.00 0.04 0.00 0.00 32.58 30.73 1g5w s HIS 93 CO 0.00 0.59 0.22 -1.17 -2.34 0.00 0.00 174.74 172.04 1g5w s LEU 94 N -2.24 -0.21 -0.23 8.88 2.96 -0.65 -0.86 118.68 126.33 1g5w s LEU 94 Ca 0.32 0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 54.65 1g5w s LEU 94 Cb -0.13 0.53 -0.03 0.00 0.50 0.00 0.00 46.19 47.06 1g5w s LEU 94 CO 0.23 -0.24 0.07 -1.10 -1.32 0.00 0.00 176.35 173.98 1g5w s GLN 95 N 2.37 3.73 -0.07 1.98 -0.21 -0.75 -1.98 119.66 124.72 1g5w s GLN 95 Ca 0.02 -0.45 0.03 0.00 0.02 0.00 0.00 55.36 54.98 1g5w s GLN 95 Cb -0.12 -3.29 0.01 0.00 1.00 0.00 0.00 33.01 30.61 1g5w s GLN 95 CO -0.07 -0.07 -0.17 0.15 -2.12 0.00 0.00 175.29 173.01 1g5w s LYS 96 N 1.30 2.16 -0.24 2.91 1.02 -0.75 -1.84 119.74 124.30 1g5w s LYS 96 Ca 0.05 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.41 1g5w s LYS 96 Cb -0.15 -1.72 0.13 0.00 -0.52 0.00 0.00 37.83 35.57 1g5w s LYS 96 CO 0.03 0.11 0.44 1.67 -0.92 0.00 0.00 175.35 176.68 1g5w s TRP 97 N 0.47 -0.97 -1.26 3.18 -2.14 -0.41 -1.38 118.94 116.44 1g5w s TRP 97 Ca -0.15 1.22 -0.07 0.00 2.66 0.00 0.00 56.10 59.76 1g5w s TRP 97 Cb -0.16 0.22 -0.01 0.00 -3.10 0.00 0.00 33.47 30.42 1g5w s TRP 97 CO 0.05 -0.69 0.68 -3.47 -2.66 0.00 0.00 176.95 170.87 1g5w n ASP 98 N 5.39 -2.62 0.00 -2.66 2.03 -1.26 -2.04 116.55 115.39 1g5w n ASP 98 Ca -0.05 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1g5w n ASP 98 Cb 0.50 -3.72 0.00 0.00 -0.72 0.00 0.00 41.12 37.18 1g5w n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g5w n GLY 99 N -1.67 1.72 3.77 0.27 0.00 -1.26 -5.03 105.19 102.99 1g5w n GLY 99 Ca -0.22 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1g5w n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g5w s GLN 100 N 0.00 4.48 -0.06 1.61 -0.21 -0.87 -5.09 119.66 119.53 1g5w s GLN 100 Ca 0.00 1.04 -0.03 0.00 0.02 0.00 0.00 55.36 56.39 1g5w s GLN 100 Cb 0.00 -3.31 0.03 0.00 1.00 0.00 0.00 33.01 30.73 1g5w s GLN 100 CO 0.00 0.45 0.14 -1.83 -2.12 0.00 0.00 175.29 171.92 1g5w s GLU 101 N -0.62 0.10 -0.13 2.91 -1.05 -1.26 -1.28 118.70 117.37 1g5w s GLU 101 Ca 0.36 0.30 0.01 0.00 -0.15 0.00 0.00 54.97 55.49 1g5w s GLU 101 Cb -0.21 -0.10 -0.01 0.00 -0.44 0.00 0.00 34.13 33.37 1g5w s GLU 101 CO 0.23 -0.12 -0.17 -0.08 0.95 0.00 0.00 175.26 176.07 1g5w s THR 102 N 0.83 2.61 -0.18 1.83 -1.32 -0.76 -4.69 115.64 113.95 1g5w s THR 102 Ca -0.06 -0.81 -0.18 0.00 -1.21 0.00 0.00 61.69 59.42 1g5w s THR 102 Cb -0.08 -2.07 -0.03 0.00 -1.51 0.00 0.00 72.50 68.80 1g5w s THR 102 CO -0.04 0.53 0.50 0.42 -2.21 0.00 0.00 174.62 173.83 1g5w s THR 103 N 0.48 5.13 -0.95 5.08 -4.23 -1.05 -1.82 115.64 118.28 1g5w s THR 103 Ca -0.12 0.94 -0.06 0.00 -1.18 0.00 0.00 61.69 61.27 1g5w s THR 103 Cb -0.16 -3.83 0.24 0.00 1.34 0.00 0.00 72.50 70.08 1g5w s THR 103 CO 0.05 0.22 0.88 -0.76 -0.54 0.00 0.00 174.62 174.46 1g5w s LEU 104 N 1.38 5.95 -0.53 4.79 1.02 -0.04 -2.17 118.68 129.09 1g5w s LEU 104 Ca 0.24 -3.50 -0.22 0.00 0.02 0.00 0.00 54.13 50.66 1g5w s LEU 104 Cb -0.15 -2.05 0.05 0.00 0.02 0.00 0.00 46.19 44.05 1g5w s LEU 104 CO 0.10 -0.28 0.83 -0.69 0.02 0.00 0.00 176.35 176.33 1g5w s VAL 105 N -1.06 4.56 -0.31 -1.59 1.01 -0.83 -2.95 120.40 119.22 1g5w s VAL 105 Ca 0.27 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.16 1g5w s VAL 105 Cb -0.10 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1g5w s VAL 105 CO -0.10 -0.99 0.31 -0.13 0.00 0.00 0.00 175.10 174.19 1g5w s ARG 106 N 3.49 3.75 -0.03 2.72 0.52 -0.80 -1.59 118.95 127.02 1g5w s ARG 106 Ca 0.26 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.15 1g5w s ARG 106 Cb -0.15 -3.74 0.02 0.00 0.52 0.00 0.00 34.95 31.61 1g5w s ARG 106 CO 0.17 -0.37 -0.01 -1.83 0.02 0.00 0.00 175.30 173.28 1g5w s GLU 107 N 1.93 0.39 -0.28 3.54 -1.05 -0.98 -1.49 118.70 120.76 1g5w s GLU 107 Ca 0.11 0.02 -0.28 0.00 -0.15 0.00 0.00 54.97 54.66 1g5w s GLU 107 Cb -0.16 -0.51 0.01 0.00 -0.44 0.00 0.00 34.13 33.02 1g5w s GLU 107 CO 0.11 -0.10 1.02 -0.51 0.95 0.00 0.00 175.26 176.74 1g5w s LEU 108 N 0.86 4.02 -0.31 1.83 2.01 -1.26 -1.80 118.68 124.03 1g5w s LEU 108 Ca -0.09 1.15 0.02 0.00 0.01 0.00 0.00 54.13 55.21 1g5w s LEU 108 Cb -0.12 -3.48 0.09 0.00 0.01 0.00 0.00 46.19 42.69 1g5w s LEU 108 CO -0.01 -0.75 0.05 -0.63 1.01 0.00 0.00 176.35 176.01 1g5w s ILE 109 N 3.37 1.62 -1.21 -0.59 -1.09 -0.80 -4.89 121.20 117.62 1g5w s ILE 109 Ca 0.43 -1.79 -0.00 0.00 -2.23 0.00 0.00 60.65 57.06 1g5w s ILE 109 Cb -0.14 -2.15 -0.00 0.00 -1.58 0.00 0.00 42.46 38.60 1g5w s ILE 109 CO 0.11 -0.54 0.96 0.47 -1.23 0.00 0.00 174.94 174.71 1g5w n ASP 110 N 4.55 -2.02 -1.77 3.58 8.00 -1.26 -2.77 116.55 124.86 1g5w n ASP 110 Ca -0.01 -0.65 -0.15 0.00 0.71 0.00 0.00 54.79 54.69 1g5w n ASP 110 Cb 0.42 -4.98 -0.00 0.00 -0.02 0.00 0.00 41.12 36.54 1g5w n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g5w n GLY 111 N -1.20 -0.25 2.85 0.44 0.00 -1.26 -5.05 105.19 100.72 1g5w n GLY 111 Ca -0.29 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 1g5w n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g5w s LYS 112 N -4.81 0.51 -0.36 1.61 1.02 -1.11 -4.41 119.74 112.19 1g5w s LYS 112 Ca 0.02 0.01 -0.27 0.00 0.02 0.00 0.00 55.97 55.74 1g5w s LYS 112 Cb -0.01 -0.63 0.02 0.00 -0.52 0.00 0.00 37.83 36.68 1g5w s LYS 112 CO 0.03 -0.12 1.01 -1.17 -0.92 0.00 0.00 175.35 174.18 1g5w s LEU 113 N 1.01 3.92 -0.49 3.17 2.96 -0.87 -1.89 118.68 126.48 1g5w s LEU 113 Ca -0.10 0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 54.46 1g5w s LEU 113 Cb -0.14 -3.41 0.12 0.00 0.50 0.00 0.00 46.19 43.26 1g5w s LEU 113 CO -0.01 -0.92 0.39 -0.63 -1.32 0.00 0.00 176.35 173.87 1g5w s ILE 114 N 3.67 4.52 -0.69 6.68 -1.09 -0.75 -2.07 121.20 131.47 1g5w s ILE 114 Ca 0.42 -1.70 -0.21 0.00 -2.23 0.00 0.00 60.65 56.93 1g5w s ILE 114 Cb -0.11 -3.95 0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1g5w s ILE 114 CO 0.19 -0.80 0.94 -0.22 -1.23 0.00 0.00 174.94 173.82 1g5w s LEU 115 N 1.43 4.70 -0.47 2.97 2.96 -0.67 -2.31 118.68 127.30 1g5w s LEU 115 Ca 0.05 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.50 1g5w s LEU 115 Cb -0.27 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.06 1g5w s LEU 115 CO 0.00 -1.32 0.67 -0.89 -1.32 0.00 0.00 176.35 173.50 1g5w s THR 116 N 3.56 4.79 -0.80 3.68 2.01 -0.62 -1.43 115.64 126.83 1g5w s THR 116 Ca 0.22 -0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.08 1g5w s THR 116 Cb -0.16 -4.27 0.21 0.00 0.01 0.00 0.00 72.50 68.29 1g5w s THR 116 CO 0.06 -0.70 0.73 -0.76 -0.69 0.00 0.00 174.62 173.26 1g5w s LEU 117 N 2.91 6.63 -0.31 4.42 1.43 -0.58 -1.97 118.68 131.20 1g5w s LEU 117 Ca 0.22 -2.66 -0.15 0.00 -1.03 0.00 0.00 54.13 50.51 1g5w s LEU 117 Cb -0.15 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1g5w s LEU 117 CO 0.17 -0.57 0.38 -0.89 0.23 0.00 0.00 176.35 175.68 1g5w s THR 118 N 0.22 5.15 -0.44 5.49 2.01 -0.92 -1.59 115.64 125.55 1g5w s THR 118 Ca 0.17 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.50 1g5w s THR 118 Cb -0.12 -3.79 0.13 0.00 0.01 0.00 0.00 72.50 68.74 1g5w s THR 118 CO -0.08 -0.00 0.22 -2.28 -0.69 0.00 0.00 174.62 171.79 1g5w s HIS 119 N 2.09 2.26 0.00 4.92 5.04 -1.22 -2.54 115.29 125.85 1g5w s HIS 119 Ca 0.14 -2.55 0.00 0.00 -1.54 0.00 0.00 55.06 51.11 1g5w s HIS 119 Cb -0.16 -2.10 0.00 0.00 0.04 0.00 0.00 32.58 30.36 1g5w s HIS 119 CO 0.11 -0.79 0.00 0.41 -2.34 0.00 0.00 174.74 172.13 1g5w n GLY 120 N 3.58 1.49 0.09 1.59 0.00 -1.26 -3.35 105.19 107.32 1g5w n GLY 120 Ca 0.07 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1g5w n GLY 120 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1g5w h THR 121 N 0.00 0.56 -3.26 2.61 2.02 -2.00 -3.46 112.91 109.38 1g5w h THR 121 Ca 0.00 -1.66 -0.60 0.00 0.77 0.00 0.00 66.41 64.92 1g5w h THR 121 Cb 0.00 1.29 -0.11 0.00 -1.74 0.00 0.00 68.15 67.59 1g5w h THR 121 CO 0.00 0.19 0.64 0.00 0.37 0.00 0.00 175.52 176.72 1g5w s ALA 122 N -2.51 3.14 -0.23 6.16 0.00 -1.21 -5.03 121.76 122.09 1g5w s ALA 122 Ca -0.21 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 1g5w s ALA 122 Cb 0.03 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1g5w s ALA 122 CO 0.41 -2.39 0.20 0.54 0.00 0.00 0.00 175.76 174.53 1g5w s VAL 123 N 4.10 5.34 -0.43 0.00 0.11 -1.26 -3.40 120.40 124.86 1g5w s VAL 123 Ca 0.33 0.29 -0.09 0.00 -2.93 0.00 0.00 61.98 59.58 1g5w s VAL 123 Cb -0.11 -3.54 0.09 0.00 -1.53 0.00 0.00 36.38 31.28 1g5w s VAL 123 CO 0.21 0.34 0.27 0.00 -3.33 0.00 0.00 175.10 172.59 1g5w s THR 125 N 1.40 4.72 -0.34 0.00 2.01 -1.14 -1.53 115.64 120.75 1g5w s THR 125 Ca 0.04 0.53 -0.09 0.00 0.31 0.00 0.00 61.69 62.47 1g5w s THR 125 Cb -0.24 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.04 1g5w s THR 125 CO 0.01 -0.59 0.16 -0.13 -0.69 0.00 0.00 174.62 173.38 1g5w s ARG 126 N 3.12 2.92 0.01 4.92 0.52 -0.51 -2.35 118.95 127.58 1g5w s ARG 126 Ca 0.29 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 54.30 1g5w s ARG 126 Cb -0.13 -3.59 -0.06 0.00 0.52 0.00 0.00 34.95 31.70 1g5w s ARG 126 CO 0.20 -0.60 0.58 0.99 0.02 0.00 0.00 175.30 176.48 1g5w s THR 127 N 1.52 4.88 -0.04 0.02 2.01 -0.72 -1.68 115.64 121.64 1g5w s THR 127 Ca 0.02 1.21 0.02 0.00 0.31 0.00 0.00 61.69 63.25 1g5w s THR 127 Cb -0.19 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1g5w s THR 127 CO 0.05 0.46 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.04 1g5w s TYR 128 N -0.44 1.00 0.31 4.92 1.51 -0.88 -1.47 117.35 122.30 1g5w s TYR 128 Ca 0.30 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 56.03 1g5w s TYR 128 Cb -0.18 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.86 1g5w s TYR 128 CO 0.17 -0.17 0.55 -1.21 -1.11 0.00 0.00 175.55 173.79 1g5w s GLU 129 N 0.51 3.58 0.09 -0.62 0.41 -1.09 -2.05 118.70 119.53 1g5w s GLU 129 Ca -0.08 -0.09 -0.23 0.00 -0.41 0.00 0.00 54.97 54.16 1g5w s GLU 129 Cb -0.12 -2.65 -0.07 0.00 -1.78 0.00 0.00 34.13 29.51 1g5w s GLU 129 CO 0.01 0.19 0.70 0.21 -0.49 0.00 0.00 175.26 175.88 1g5w s LYS 130 N -3.78 4.43 -0.54 1.61 2.20 -1.26 -1.89 119.74 120.51 1g5w s LYS 130 Ca 0.43 0.97 0.05 0.00 -0.36 0.00 0.00 55.97 57.06 1g5w s LYS 130 Cb -0.10 -3.29 0.36 0.00 -1.51 0.00 0.00 37.83 33.28 1g5w s LYS 130 CO 0.32 0.49 0.99 -1.91 -0.36 0.00 0.00 175.35 174.88 1g5w n GLU 131 N 2.09 3.23 -0.83 4.03 4.07 -0.11 -4.92 120.64 128.21 1g5w n GLU 131 Ca -0.06 -4.73 0.00 0.00 -0.06 0.00 0.00 57.16 52.31 1g5w n GLU 131 Cb 0.50 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.65 1g5w n GLU 131 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07