#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 0.62 -0.08 6.55 3.58 -2.00 -3.19 116.42 121.90 1g5w h ASP 2 Ca 0.00 -0.56 0.02 0.00 0.42 0.00 0.00 57.03 56.91 1g5w h ASP 2 Cb 0.00 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 1g5w h ASP 2 CO 0.00 1.39 0.10 0.00 -2.88 0.00 0.00 179.24 177.85 1g5w h ALA 3 N 0.55 1.57 0.00 -0.78 0.00 -2.04 -2.64 119.26 115.92 1g5w h ALA 3 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1g5w h ALA 3 Cb 1.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1g5w h ALA 3 CO 0.20 -0.14 0.00 0.74 0.00 0.00 0.00 179.25 180.05 1g5w h PHE 4 N 0.00 0.00 -3.18 0.00 -1.00 -1.98 -3.47 116.94 107.32 1g5w h PHE 4 Ca 0.04 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.24 1g5w h PHE 4 Cb 0.24 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.74 1g5w h PHE 4 CO 0.00 0.00 0.65 -0.51 -1.61 0.00 0.00 178.31 176.84 1g5w s LEU 5 N -6.01 4.14 0.00 1.54 1.43 -1.00 -4.68 118.68 114.09 1g5w s LEU 5 Ca 0.03 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1g5w s LEU 5 Cb 0.08 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1g5w s LEU 5 CO 0.56 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1g5w n GLY 6 N 3.34 -2.42 3.83 -3.19 0.00 -0.93 -4.99 105.19 100.82 1g5w n GLY 6 Ca 0.09 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.25 4.95 -0.18 2.61 2.01 -1.26 -1.48 115.64 120.03 1g5w s THR 7 Ca 0.00 0.95 -0.05 0.00 0.31 0.00 0.00 61.69 62.90 1g5w s THR 7 Cb 0.00 -3.77 0.07 0.00 0.01 0.00 0.00 72.50 68.81 1g5w s THR 7 CO 0.00 0.57 0.12 0.26 -0.69 0.00 0.00 174.62 174.88 1g5w s TRP 8 N -1.05 0.09 -0.09 4.92 0.52 -0.54 -0.92 118.94 121.87 1g5w s TRP 8 Ca 0.25 -0.22 -0.05 0.00 0.02 0.00 0.00 56.10 56.10 1g5w s TRP 8 Cb -0.17 -0.63 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1g5w s TRP 8 CO 0.15 -0.55 0.14 0.15 0.02 0.00 0.00 176.95 176.86 1g5w s LYS 9 N 2.18 3.39 -0.01 4.98 1.02 -1.13 -1.05 119.74 129.12 1g5w s LYS 9 Ca 0.03 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.52 1g5w s LYS 9 Cb -0.16 -3.13 -0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1g5w s LYS 9 CO -0.11 0.75 1.55 -1.17 -0.92 0.00 0.00 175.35 175.44 1g5w s LEU 10 N -1.24 4.32 -0.22 3.17 2.96 -1.23 -3.27 118.68 123.18 1g5w s LEU 10 Ca 0.18 2.23 -0.01 0.00 -0.22 0.00 0.00 54.13 56.31 1g5w s LEU 10 Cb -0.12 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.89 1g5w s LEU 10 CO 0.07 -0.84 -0.21 0.52 -1.32 0.00 0.00 176.35 174.58 1g5w n VAL 11 N 5.01 1.23 -3.76 1.68 0.31 -0.57 -4.97 118.33 117.27 1g5w n VAL 11 Ca 0.15 -0.45 -0.13 0.00 -0.01 0.00 0.00 64.34 63.91 1g5w n VAL 11 Cb 0.43 -1.35 -0.13 0.00 -0.91 0.00 0.00 33.84 31.88 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 -6.24 -0.23 -0.37 4.52 -1.08 -1.06 -5.00 116.67 107.21 1g5w s ASP 12 Ca -0.29 0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 52.19 1g5w s ASP 12 Cb 0.08 0.38 0.10 0.00 -1.46 0.00 0.00 42.92 42.02 1g5w s ASP 12 CO 0.48 -0.13 0.13 -0.94 0.52 0.00 0.00 175.17 175.23 1g5w s SER 13 N 0.85 5.06 -0.28 -0.34 1.04 -1.26 -1.59 113.70 117.17 1g5w s SER 13 Ca -0.06 -1.99 -0.23 0.00 0.48 0.00 0.00 55.95 54.15 1g5w s SER 13 Cb -0.07 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.29 1g5w s SER 13 CO -0.05 -0.46 0.75 -0.54 0.98 0.00 0.00 173.24 173.92 1g5w s LYS 14 N 1.08 4.03 -1.21 4.02 1.02 -1.14 -4.37 119.74 123.17 1g5w s LYS 14 Ca 0.07 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1g5w s LYS 14 Cb -0.21 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 1g5w s LYS 14 CO -0.05 -0.59 0.00 0.09 -0.92 0.00 0.00 175.35 173.88 1g5w n ASN 15 N 6.04 -4.34 -3.84 2.83 3.02 -1.26 -2.75 115.26 114.96 1g5w n ASN 15 Ca 0.03 -0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 1g5w n ASN 15 Cb 0.48 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 1g5w n ASN 15 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1g5w n PHE 16 N -4.01 2.89 0.09 3.10 7.35 -1.26 -3.90 117.46 121.72 1g5w n PHE 16 Ca -0.17 -2.78 0.00 0.00 -0.76 0.00 0.00 57.45 53.74 1g5w n PHE 16 Cb 0.63 -1.93 0.00 0.00 0.35 0.00 0.00 39.48 38.53 1g5w n PHE 16 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1g5w n ASP 17 N 3.71 -1.65 -0.19 -2.13 9.92 -1.26 -4.77 116.55 120.18 1g5w n ASP 17 Ca 0.41 0.38 -0.03 0.00 -0.53 0.00 0.00 54.79 55.02 1g5w n ASP 17 Cb 0.36 1.80 0.07 0.00 -0.64 0.00 0.00 41.12 42.71 1g5w n ASP 17 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1g5w h ASP 18 N 0.00 0.40 -0.13 -2.24 3.58 -2.00 -1.35 116.42 114.68 1g5w h ASP 18 Ca 0.00 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.53 1g5w h ASP 18 Cb 0.00 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 1g5w h ASP 18 CO 0.00 0.27 -0.29 0.22 -2.88 0.00 0.00 179.24 176.55 1g5w h TYR 19 N 0.54 -0.79 -0.29 0.28 3.20 -1.83 -1.76 116.97 116.31 1g5w h TYR 19 Ca 0.26 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1g5w h TYR 19 Cb 0.18 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1g5w h TYR 19 CO -0.10 -0.37 0.09 0.52 -1.64 0.00 0.00 178.16 176.66 1g5w h MET 20 N -0.36 0.45 -0.56 1.82 2.86 -1.88 -2.84 114.93 114.42 1g5w h MET 20 Ca 0.10 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1g5w h MET 20 Cb 0.51 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1g5w h MET 20 CO -0.34 0.51 0.32 -0.22 1.06 0.00 0.00 176.91 178.24 1g5w h LYS 21 N 0.31 0.60 -0.66 1.72 3.64 -1.26 -2.81 116.57 118.11 1g5w h LYS 21 Ca 0.09 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1g5w h LYS 21 Cb 0.24 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1g5w h LYS 21 CO -0.00 0.39 0.35 1.03 -2.27 0.00 0.00 179.45 178.95 1g5w h SER 22 N 0.61 0.83 0.40 4.20 0.87 -1.38 -3.01 113.55 116.07 1g5w h SER 22 Ca 0.24 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1g5w h SER 22 Cb 0.09 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1g5w h SER 22 CO -0.13 0.68 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.70 1g5w h LEU 23 N 0.93 0.00 -0.08 2.23 3.38 -1.35 -3.48 115.31 116.94 1g5w h LEU 23 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1g5w h LEU 23 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1g5w h LEU 23 CO -0.04 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1g5w n GLY 24 N -0.65 0.81 2.79 0.83 0.00 -1.11 -5.12 105.19 102.73 1g5w n GLY 24 Ca -0.02 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.03 -0.32 0.00 1.61 1.01 -1.08 -5.01 120.40 114.59 1g5w s VAL 25 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1g5w s VAL 25 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1g5w s VAL 25 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1g5w n GLY 26 N 5.32 -0.09 2.00 4.51 0.00 -1.26 -4.11 105.19 111.56 1g5w n GLY 26 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -2.43 -0.23 1.61 -1.74 -1.26 -4.66 117.46 108.76 1g5w n PHE 27 Ca 0.00 0.43 -0.08 0.00 -0.56 0.00 0.00 57.45 57.24 1g5w n PHE 27 Cb 0.00 0.60 0.04 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 0.89 -0.21 1.98 0.00 -1.99 -1.72 119.26 118.20 1g5w h ALA 28 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1g5w h ALA 28 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1g5w h ALA 28 CO 0.00 0.67 -0.56 1.15 0.00 0.00 0.00 179.25 180.51 1g5w h THR 29 N 1.02 1.31 -0.63 0.00 2.02 -1.95 -2.36 112.91 112.33 1g5w h THR 29 Ca 0.19 -1.79 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 1g5w h THR 29 Cb 0.48 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1g5w h THR 29 CO 0.02 0.57 0.31 -0.09 0.37 0.00 0.00 175.52 176.69 1g5w h ARG 30 N 0.50 0.90 -0.01 6.66 2.43 -1.82 -2.13 114.38 120.91 1g5w h ARG 30 Ca 0.01 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1g5w h ARG 30 Cb 1.13 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1g5w h ARG 30 CO 0.11 0.71 0.00 0.37 -1.51 0.00 0.00 179.97 179.65 1g5w h GLN 31 N 0.86 0.01 -0.47 0.20 -0.00 -1.38 -3.12 115.11 111.22 1g5w h GLN 31 Ca 0.22 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.79 1g5w h GLN 31 Cb 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 1g5w h GLN 31 CO -0.03 0.28 0.02 0.28 0.00 0.00 0.00 178.83 179.37 1g5w h VAL 32 N -0.25 1.24 -0.50 2.39 2.07 -1.49 -2.32 116.25 117.38 1g5w h VAL 32 Ca 0.00 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1g5w h VAL 32 Cb 0.27 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1g5w h VAL 32 CO 0.00 0.34 0.05 0.00 0.02 0.00 0.00 177.57 177.98 1g5w h ALA 33 N 1.30 1.15 -0.50 1.67 0.00 -1.48 -1.36 119.26 120.04 1g5w h ALA 33 Ca 0.14 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1g5w h ALA 33 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1g5w h ALA 33 CO 0.02 0.56 -0.15 0.66 0.00 0.00 0.00 179.25 180.34 1g5w h SER 34 N 0.77 1.00 -0.03 0.00 4.64 -1.51 -3.35 113.55 115.06 1g5w h SER 34 Ca 0.16 -0.37 -0.13 0.00 -0.47 0.00 0.00 61.79 60.98 1g5w h SER 34 Cb 0.39 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1g5w h SER 34 CO 0.01 1.14 -0.40 -0.03 -0.87 0.00 0.00 176.83 176.69 1g5w h MET 35 N 0.85 0.55 -0.11 4.77 -1.53 -1.33 -3.39 114.93 114.73 1g5w h MET 35 Ca 0.12 -0.27 -0.04 0.00 -3.44 0.00 0.00 59.70 56.07 1g5w h MET 35 Cb 0.72 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.76 1g5w h MET 35 CO 0.06 0.85 -0.11 0.00 0.14 0.00 0.00 176.91 177.85 1g5w h THR 36 N 0.45 1.15 -3.51 -0.77 1.03 -1.38 -3.49 112.91 106.39 1g5w h THR 36 Ca 0.04 -0.64 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 1g5w h THR 36 Cb 0.89 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 69.15 1g5w h THR 36 CO 0.08 0.20 -0.24 1.17 -0.01 0.00 0.00 175.52 176.71 1g5w n LYS 37 N -4.32 -0.85 -2.32 0.00 4.81 -1.26 -4.96 118.16 109.26 1g5w n LYS 37 Ca -0.01 1.06 -0.42 0.00 -0.87 0.00 0.00 58.31 58.06 1g5w n LYS 37 Cb 0.23 -2.05 -0.03 0.00 0.02 0.00 0.00 35.03 33.21 1g5w n LYS 37 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1g5w s PRO 38 N -0.41 4.31 -0.78 1.64 0.04 -1.26 -4.60 135.00 133.95 1g5w s PRO 38 Ca -0.00 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1g5w s PRO 38 Cb 0.00 -3.56 0.17 0.00 0.04 0.00 0.00 34.50 31.15 1g5w s PRO 38 CO 0.19 -0.52 0.80 0.99 0.04 0.00 0.00 177.00 178.50 1g5w s THR 39 N 2.29 5.27 -0.45 1.26 2.01 -1.26 -3.49 115.64 121.26 1g5w s THR 39 Ca 0.61 -1.95 -0.25 0.00 0.31 0.00 0.00 61.69 60.41 1g5w s THR 39 Cb -0.29 -4.52 0.03 0.00 0.01 0.00 0.00 72.50 67.73 1g5w s THR 39 CO 0.25 -1.12 0.88 -0.89 -0.69 0.00 0.00 174.62 173.04 1g5w s THR 40 N 1.23 4.54 -0.39 -0.82 2.01 -0.22 -1.71 115.64 120.27 1g5w s THR 40 Ca 0.18 0.66 -0.13 0.00 0.31 0.00 0.00 61.69 62.71 1g5w s THR 40 Cb -0.13 -4.39 0.02 0.00 0.01 0.00 0.00 72.50 68.01 1g5w s THR 40 CO -0.05 -0.78 0.26 -0.63 -0.69 0.00 0.00 174.62 172.73 1g5w s ILE 41 N 3.58 5.01 -0.33 1.82 1.01 -0.57 -1.47 121.20 130.25 1g5w s ILE 41 Ca 0.35 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 1g5w s ILE 41 Cb -0.11 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1g5w s ILE 41 CO 0.25 -0.27 0.22 -0.63 0.00 0.00 0.00 174.94 174.51 1g5w s ILE 42 N 1.64 5.22 -0.17 2.92 1.01 -0.55 -1.46 121.20 129.80 1g5w s ILE 42 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1g5w s ILE 42 Cb -0.19 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.69 1g5w s ILE 42 CO 0.09 0.04 0.05 -0.70 0.00 0.00 0.00 174.94 174.42 1g5w s GLU 43 N 1.72 0.43 -0.38 2.79 -6.30 -0.69 -2.18 118.70 114.09 1g5w s GLU 43 Ca 0.06 -0.25 -0.18 0.00 -2.50 0.00 0.00 54.97 52.11 1g5w s GLU 43 Cb -0.17 -1.90 0.00 0.00 0.00 0.00 0.00 34.13 32.06 1g5w s GLU 43 CO 0.10 -0.62 0.48 0.21 0.02 0.00 0.00 175.26 175.45 1g5w s LYS 44 N 1.97 3.44 -0.12 4.30 2.20 -1.26 -1.67 119.74 128.61 1g5w s LYS 44 Ca 0.01 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1g5w s LYS 44 Cb -0.16 -3.86 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 1g5w s LYS 44 CO -0.08 -0.71 0.05 -0.97 -0.36 0.00 0.00 175.35 173.28 1g5w h ASN 45 N 8.57 0.00 0.00 1.43 -0.73 -1.86 -3.49 115.58 119.50 1g5w h ASN 45 Ca -0.28 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 57.77 1g5w h ASN 45 Cb 1.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1g5w h ASN 45 CO 0.77 0.63 0.00 0.61 -0.37 0.00 0.00 177.43 179.07 1g5w n GLY 46 N 1.72 1.12 0.07 1.57 0.00 -1.26 -4.96 105.19 103.45 1g5w n GLY 46 Ca -0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 1g5w n GLY 46 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1g5w h ASP 47 N 0.00 0.08 -3.44 1.61 1.82 -1.98 -3.46 116.42 111.05 1g5w h ASP 47 Ca 0.00 -0.08 -0.57 0.00 -0.39 0.00 0.00 57.03 55.99 1g5w h ASP 47 Cb 0.00 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 39.92 1g5w h ASP 47 CO 0.00 1.06 0.96 -0.63 -1.61 0.00 0.00 179.24 179.02 1g5w s ILE 48 N -2.72 4.16 0.20 2.25 -1.09 -1.26 -4.68 121.20 118.05 1g5w s ILE 48 Ca 0.00 1.23 -0.30 0.00 -2.23 0.00 0.00 60.65 59.35 1g5w s ILE 48 Cb 0.10 -4.39 -0.08 0.00 -1.58 0.00 0.00 42.46 36.50 1g5w s ILE 48 CO 0.83 -0.78 0.99 -0.76 -1.23 0.00 0.00 174.94 173.99 1g5w s LEU 49 N 4.59 4.58 -0.27 2.97 1.43 -0.51 -2.31 118.68 129.16 1g5w s LEU 49 Ca 0.53 1.96 -0.02 0.00 -1.03 0.00 0.00 54.13 55.57 1g5w s LEU 49 Cb -0.11 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.59 1g5w s LEU 49 CO 0.28 0.01 0.08 -0.89 0.23 0.00 0.00 176.35 176.06 1g5w s THR 50 N -0.73 0.65 -0.39 5.49 2.01 -0.67 -1.29 115.64 120.72 1g5w s THR 50 Ca 0.44 -1.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1g5w s THR 50 Cb -0.26 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 70.88 1g5w s THR 50 CO 0.33 -0.52 0.41 -0.22 -0.69 0.00 0.00 174.62 173.93 1g5w s LEU 51 N 1.75 4.67 -0.44 4.42 0.20 -1.01 -1.71 118.68 126.57 1g5w s LEU 51 Ca 0.06 -0.47 -0.03 0.00 0.69 0.00 0.00 54.13 54.38 1g5w s LEU 51 Cb -0.17 -2.38 0.12 0.00 -0.43 0.00 0.00 46.19 43.33 1g5w s LEU 51 CO -0.21 -0.48 0.24 -0.54 -0.29 0.00 0.00 176.35 175.06 1g5w s LYS 52 N 2.11 2.08 -0.80 1.98 1.02 -0.53 -2.56 119.74 123.04 1g5w s LYS 52 Ca 0.12 -1.90 -0.21 0.00 0.02 0.00 0.00 55.97 54.00 1g5w s LYS 52 Cb -0.17 -3.61 0.09 0.00 -0.52 0.00 0.00 37.83 33.62 1g5w s LYS 52 CO 0.13 -1.09 1.07 0.99 -0.92 0.00 0.00 175.35 175.53 1g5w s THR 53 N 1.01 4.45 -0.19 2.17 2.01 -0.60 -1.51 115.64 122.97 1g5w s THR 53 Ca 0.09 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1g5w s THR 53 Cb -0.23 -4.75 0.17 0.00 0.01 0.00 0.00 72.50 67.70 1g5w s THR 53 CO -0.04 -1.52 1.18 1.41 -0.69 0.00 0.00 174.62 174.96 1g5w n HIS 54 N 7.34 0.75 0.00 4.92 8.25 -0.69 -2.86 115.22 132.92 1g5w n HIS 54 Ca 0.10 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 1g5w n HIS 54 Cb 0.47 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1g5w n HIS 54 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1g5w n SER 55 N 0.09 0.00 -1.61 0.41 7.64 -1.26 -4.39 113.62 114.50 1g5w n SER 55 Ca 0.14 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.97 1g5w n SER 55 Cb 0.76 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.95 1g5w n SER 55 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1g5w n THR 56 N 0.00 -0.09 0.00 0.44 5.66 -1.26 -3.08 114.28 115.95 1g5w n THR 56 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1g5w n THR 56 Cb 0.00 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 1g5w n THR 56 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1g5w n PHE 57 N -1.87 0.00 -4.99 1.09 7.35 -1.26 -4.87 117.46 112.90 1g5w n PHE 57 Ca -0.05 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.31 1g5w n PHE 57 Cb 0.30 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.96 1g5w n PHE 57 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1g5w s LYS 58 N 0.00 3.07 -0.44 -4.13 2.36 -1.18 -5.08 119.74 114.33 1g5w s LYS 58 Ca 0.00 -0.86 -0.28 0.00 -2.55 0.00 0.00 55.97 52.29 1g5w s LYS 58 Cb 0.00 -2.38 -0.01 0.00 -1.05 0.00 0.00 37.83 34.39 1g5w s LYS 58 CO 0.00 0.11 1.70 -0.80 1.55 0.00 0.00 175.35 177.91 1g5w s ASN 59 N 0.51 5.84 -0.14 1.43 -0.87 -1.20 -4.69 114.94 115.82 1g5w s ASN 59 Ca -0.14 0.85 -0.05 0.00 -1.57 0.00 0.00 52.86 51.94 1g5w s ASN 59 Cb -0.17 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.49 1g5w s ASN 59 CO 0.05 -1.83 0.03 0.42 -2.57 0.00 0.00 177.10 173.20 1g5w s THR 60 N 7.10 4.57 -0.15 1.60 -4.23 -1.14 -4.97 115.64 118.42 1g5w s THR 60 Ca 0.70 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1g5w s THR 60 Cb -0.17 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.69 1g5w s THR 60 CO 0.29 0.52 -0.18 -0.70 -0.54 0.00 0.00 174.62 174.02 1g5w s GLU 61 N -0.13 2.62 -0.05 3.99 2.12 -1.26 -1.55 118.70 124.44 1g5w s GLU 61 Ca 0.06 -0.69 -0.15 0.00 0.36 0.00 0.00 54.97 54.54 1g5w s GLU 61 Cb -0.12 -2.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.96 1g5w s GLU 61 CO 0.02 -0.15 0.40 0.96 -0.54 0.00 0.00 175.26 175.94 1g5w s ILE 62 N 1.19 5.12 -0.18 -3.70 -4.36 -1.06 -5.01 121.20 113.21 1g5w s ILE 62 Ca 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 60.65 61.20 1g5w s ILE 62 Cb -0.14 -3.71 0.03 0.00 1.25 0.00 0.00 42.46 39.89 1g5w s ILE 62 CO -0.08 0.50 -0.11 -0.55 0.24 0.00 0.00 174.94 174.94 1g5w s SER 63 N -0.46 3.06 -0.03 4.36 0.15 -1.26 -2.41 113.70 117.10 1g5w s SER 63 Ca 0.23 -0.71 -0.14 0.00 0.70 0.00 0.00 55.95 56.03 1g5w s SER 63 Cb -0.16 -1.17 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 1g5w s SER 63 CO 0.11 -0.12 0.31 0.72 1.20 0.00 0.00 173.24 175.46 1g5w s PHE 64 N 1.46 -0.21 -0.24 3.44 -0.71 -0.41 -5.01 117.98 116.29 1g5w s PHE 64 Ca 0.01 0.37 0.16 0.00 -1.04 0.00 0.00 56.93 56.43 1g5w s PHE 64 Cb -0.15 0.10 0.48 0.00 -1.21 0.00 0.00 43.02 42.24 1g5w s PHE 64 CO -0.09 -0.35 1.37 1.63 -1.34 0.00 0.00 175.22 176.45 1g5w n LYS 65 N 1.57 2.77 -2.89 1.99 5.02 -1.26 -1.43 118.16 123.93 1g5w n LYS 65 Ca -0.20 -2.73 -0.08 0.00 -2.02 0.00 0.00 58.31 53.29 1g5w n LYS 65 Cb 0.56 -1.75 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.50 -7.27 -0.06 -0.35 4.32 -1.25 -4.72 117.00 107.16 1g5w n LEU 66 Ca 0.20 0.77 0.00 0.00 -0.02 0.00 0.00 56.01 56.96 1g5w n LEU 66 Cb 0.82 -3.13 0.00 0.00 -1.62 0.00 0.00 43.42 39.48 1g5w n LEU 66 CO 0.13 -2.40 0.00 0.61 -1.22 0.00 0.00 177.39 174.51 1g5w n GLY 67 N 0.13 0.85 2.97 -0.72 0.00 -0.29 -4.85 105.19 103.29 1g5w n GLY 67 Ca 0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.84 -0.11 -0.32 1.61 1.01 -1.26 -5.06 120.40 114.44 1g5w s VAL 68 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1g5w s VAL 68 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1g5w s VAL 68 CO 0.00 0.08 0.77 -0.70 0.00 0.00 0.00 175.10 175.25 1g5w s GLU 69 N 1.48 3.92 0.16 2.72 2.12 -1.26 -4.17 118.70 123.66 1g5w s GLU 69 Ca -0.07 0.50 0.01 0.00 0.36 0.00 0.00 54.97 55.77 1g5w s GLU 69 Cb -0.11 -3.74 0.01 0.00 0.26 0.00 0.00 34.13 30.54 1g5w s GLU 69 CO -0.07 -0.69 0.06 1.97 -0.54 0.00 0.00 175.26 175.98 1g5w n PHE 70 N 6.20 -0.45 -4.70 5.30 -1.74 -0.74 -4.98 117.46 116.35 1g5w n PHE 70 Ca 0.03 -0.71 -0.31 0.00 -0.56 0.00 0.00 57.45 55.90 1g5w n PHE 70 Cb 0.48 -0.12 -0.13 0.00 1.52 0.00 0.00 39.48 41.24 1g5w n PHE 70 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1g5w s ASP 71 N -1.88 3.66 0.06 5.98 -1.08 -1.26 -1.20 116.67 120.94 1g5w s ASP 71 Ca 0.05 -0.47 0.06 0.00 -0.52 0.00 0.00 52.55 51.66 1g5w s ASP 71 Cb -0.00 -0.53 -0.03 0.00 -1.46 0.00 0.00 42.92 40.90 1g5w s ASP 71 CO 0.03 0.25 -0.15 -0.70 0.52 0.00 0.00 175.17 175.12 1g5w s GLU 72 N -1.42 0.93 -0.23 4.34 2.56 -0.73 -4.91 118.70 119.25 1g5w s GLU 72 Ca 0.14 -0.91 -0.08 0.00 0.00 0.00 0.00 54.97 54.12 1g5w s GLU 72 Cb -0.10 -0.98 -0.04 0.00 2.00 0.00 0.00 34.13 35.00 1g5w s GLU 72 CO 0.05 0.23 0.09 0.99 -0.56 0.00 0.00 175.26 176.06 1g5w s THR 73 N -1.08 4.72 0.86 -1.70 2.01 -1.26 -1.65 115.64 117.53 1g5w s THR 73 Ca 0.01 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 1g5w s THR 73 Cb -0.09 -3.18 0.11 0.00 0.01 0.00 0.00 72.50 69.34 1g5w s THR 73 CO 0.02 0.37 1.13 0.42 -0.69 0.00 0.00 174.62 175.87 1g5w s THR 74 N 1.11 2.41 0.53 -0.82 -4.23 -0.83 -4.91 115.64 108.91 1g5w s THR 74 Ca 0.05 0.13 0.18 0.00 -1.18 0.00 0.00 61.69 60.88 1g5w s THR 74 Cb -0.14 -2.91 0.29 0.00 1.34 0.00 0.00 72.50 71.07 1g5w s THR 74 CO 0.04 -0.17 2.15 0.00 -0.54 0.00 0.00 174.62 176.09 1g5w h ALA 75 N -1.29 1.98 -2.12 3.99 0.00 -1.90 -2.85 119.26 117.07 1g5w h ALA 75 Ca -0.49 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.78 1g5w h ALA 75 Cb 1.31 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.71 1g5w h ALA 75 CO 0.62 -0.04 -0.32 -0.25 0.00 0.00 0.00 179.25 179.25 1g5w n ASP 76 N -4.44 4.51 -3.48 0.00 8.00 -1.26 -4.47 116.55 115.40 1g5w n ASP 76 Ca -0.02 -3.51 -0.19 0.00 0.71 0.00 0.00 54.79 51.77 1g5w n ASP 76 Cb 0.12 -0.76 0.01 0.00 -0.02 0.00 0.00 41.12 40.47 1g5w n ASP 76 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1g5w n ASP 77 N 0.61 -5.97 -3.71 -2.24 8.00 -1.08 -5.05 116.55 107.12 1g5w n ASP 77 Ca 0.31 -0.48 -0.18 0.00 0.71 0.00 0.00 54.79 55.14 1g5w n ASP 77 Cb 0.39 -2.91 -0.17 0.00 -0.02 0.00 0.00 41.12 38.40 1g5w n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1g5w s ARG 78 N -3.85 -0.02 -0.06 -1.24 0.52 -1.26 -4.94 118.95 108.10 1g5w s ARG 78 Ca 0.08 0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 1g5w s ARG 78 Cb -0.01 -0.45 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 1g5w s ARG 78 CO 0.85 -0.27 1.41 -1.59 0.02 0.00 0.00 175.30 175.72 1g5w s LYS 79 N 1.77 4.25 -0.01 3.54 0.00 -1.26 -1.96 119.74 126.07 1g5w s LYS 79 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 55.97 57.89 1g5w s LYS 79 Cb -0.12 -3.72 0.01 0.00 0.00 0.00 0.00 37.83 34.00 1g5w s LYS 79 CO -0.03 -0.67 0.00 0.14 0.00 0.00 0.00 175.35 174.79 1g5w s VAL 80 N 3.07 0.08 -0.69 1.79 -7.23 -0.66 -4.79 120.40 111.97 1g5w s VAL 80 Ca 0.63 0.04 -0.26 0.00 -1.81 0.00 0.00 61.98 60.59 1g5w s VAL 80 Cb -0.29 -0.14 0.04 0.00 0.56 0.00 0.00 36.38 36.56 1g5w s VAL 80 CO 0.24 0.07 1.18 -0.54 -0.31 0.00 0.00 175.10 175.74 1g5w s LYS 81 N 0.49 3.22 -0.48 4.82 -0.14 -0.14 -1.77 119.74 125.73 1g5w s LYS 81 Ca -0.04 -0.32 -0.20 0.00 -1.36 0.00 0.00 55.97 54.05 1g5w s LYS 81 Cb -0.07 -4.16 0.04 0.00 -1.68 0.00 0.00 37.83 31.96 1g5w s LYS 81 CO -0.01 -1.99 0.64 -1.54 -0.76 0.00 0.00 175.35 171.69 1g5w s SER 82 N 3.59 6.26 -0.20 2.83 1.04 -0.34 -1.97 113.70 124.89 1g5w s SER 82 Ca 0.33 -0.69 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 1g5w s SER 82 Cb -0.10 -2.30 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 1g5w s SER 82 CO 0.15 -0.86 -0.08 -0.51 0.98 0.00 0.00 173.24 172.92 1g5w s ILE 83 N 2.75 3.15 -0.05 -1.02 -1.16 -0.60 -1.79 121.20 122.49 1g5w s ILE 83 Ca 0.18 -0.58 0.02 0.00 -0.51 0.00 0.00 60.65 59.76 1g5w s ILE 83 Cb -0.17 -2.41 0.02 0.00 0.61 0.00 0.00 42.46 40.51 1g5w s ILE 83 CO 0.15 0.45 -0.08 0.54 -2.81 0.00 0.00 174.94 173.19 1g5w s VAL 84 N 1.31 0.81 0.03 4.00 0.11 -1.26 -1.50 120.40 123.90 1g5w s VAL 84 Ca 0.04 -0.30 -0.08 0.00 -2.93 0.00 0.00 61.98 58.71 1g5w s VAL 84 Cb -0.14 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1g5w s VAL 84 CO -0.04 0.28 0.15 0.28 -3.33 0.00 0.00 175.10 172.44 1g5w s THR 85 N 0.73 0.11 -0.18 5.04 -1.32 -0.94 -1.13 115.64 117.95 1g5w s THR 85 Ca -0.12 -0.92 -0.23 0.00 -1.21 0.00 0.00 61.69 59.20 1g5w s THR 85 Cb -0.15 -0.79 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1g5w s THR 85 CO 0.02 -0.51 0.75 -0.22 -2.21 0.00 0.00 174.62 172.45 1g5w s LEU 86 N -1.93 4.16 -1.00 9.08 2.96 -1.26 -1.80 118.68 128.88 1g5w s LEU 86 Ca -0.07 1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.82 1g5w s LEU 86 Cb -0.03 -3.09 0.27 0.00 0.50 0.00 0.00 46.19 43.84 1g5w s LEU 86 CO -0.03 -0.34 1.08 -0.67 -1.32 0.00 0.00 176.35 175.07 1g5w n ASP 87 N 5.15 5.22 0.00 3.68 -0.08 -0.21 -4.92 116.55 125.39 1g5w n ASP 87 Ca 0.02 -3.20 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 1g5w n ASP 87 Cb 0.49 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 42.76 1g5w n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1g5w n GLY 88 N 2.04 1.79 2.73 0.27 0.00 -1.26 -2.99 105.19 107.76 1g5w n GLY 88 Ca 0.24 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 1.62 2.70 -0.02 0.00 -1.26 -4.87 105.19 103.36 1g5w n GLY 89 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.88 0.19 -0.65 1.61 1.02 -1.16 -4.62 119.74 113.24 1g5w s LYS 90 Ca 0.25 0.22 -0.23 0.00 0.02 0.00 0.00 55.97 56.24 1g5w s LYS 90 Cb 0.41 -0.84 0.07 0.00 -0.52 0.00 0.00 37.83 36.94 1g5w s LYS 90 CO -0.01 -0.36 0.96 -1.17 -0.92 0.00 0.00 175.35 173.85 1g5w s LEU 91 N 2.09 4.36 -0.45 3.17 0.20 -0.74 -1.04 118.68 126.27 1g5w s LEU 91 Ca 0.04 -0.94 -0.10 0.00 0.69 0.00 0.00 54.13 53.83 1g5w s LEU 91 Cb -0.13 -2.45 0.10 0.00 -0.43 0.00 0.00 46.19 43.28 1g5w s LEU 91 CO -0.04 -1.43 0.31 -0.69 -0.29 0.00 0.00 176.35 174.21 1g5w s VAL 92 N 4.06 4.28 -0.03 1.68 1.01 -0.75 -2.04 120.40 128.61 1g5w s VAL 92 Ca 0.23 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 1g5w s VAL 92 Cb -0.16 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1g5w s VAL 92 CO 0.11 -0.66 0.18 -2.28 0.00 0.00 0.00 175.10 172.45 1g5w s HIS 93 N 1.41 3.56 -0.09 5.22 5.04 -1.09 -2.22 115.29 127.11 1g5w s HIS 93 Ca 0.04 0.39 -0.04 0.00 -1.54 0.00 0.00 55.06 53.92 1g5w s HIS 93 Cb -0.25 -1.85 0.05 0.00 0.04 0.00 0.00 32.58 30.57 1g5w s HIS 93 CO 0.01 0.67 0.20 -1.17 -2.34 0.00 0.00 174.74 172.11 1g5w s LEU 94 N -1.76 0.25 -0.23 8.88 2.96 -0.56 -0.91 118.68 127.32 1g5w s LEU 94 Ca 0.25 0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1g5w s LEU 94 Cb -0.12 0.53 0.01 0.00 0.50 0.00 0.00 46.19 47.10 1g5w s LEU 94 CO 0.16 -0.19 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.83 1g5w s GLN 95 N 1.69 3.15 -0.06 1.98 -0.21 -0.74 -1.55 119.66 123.91 1g5w s GLN 95 Ca -0.05 -0.77 0.04 0.00 0.02 0.00 0.00 55.36 54.61 1g5w s GLN 95 Cb -0.11 -2.96 -0.02 0.00 1.00 0.00 0.00 33.01 30.92 1g5w s GLN 95 CO -0.07 -0.27 -0.19 0.15 -2.12 0.00 0.00 175.29 172.78 1g5w s LYS 96 N 1.41 2.62 -0.25 2.91 1.02 -0.83 -1.65 119.74 124.96 1g5w s LYS 96 Ca 0.04 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 55.20 1g5w s LYS 96 Cb -0.15 -2.30 0.14 0.00 -0.52 0.00 0.00 37.83 35.00 1g5w s LYS 96 CO -0.05 0.46 0.44 1.67 -0.92 0.00 0.00 175.35 176.95 1g5w s TRP 97 N -0.33 -1.02 -1.19 3.18 -2.14 -0.10 -0.97 118.94 116.38 1g5w s TRP 97 Ca 0.02 1.13 -0.07 0.00 2.66 0.00 0.00 56.10 59.84 1g5w s TRP 97 Cb -0.13 0.19 -0.02 0.00 -3.10 0.00 0.00 33.47 30.41 1g5w s TRP 97 CO 0.02 -0.74 0.81 -3.47 -2.66 0.00 0.00 176.95 170.91 1g5w n ASP 98 N 5.38 -3.66 0.00 -2.66 2.03 -1.26 -2.02 116.55 114.36 1g5w n ASP 98 Ca -0.04 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1g5w n ASP 98 Cb 0.50 -4.29 0.00 0.00 -0.72 0.00 0.00 41.12 36.61 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 -1.47 1.81 3.81 0.27 0.00 -1.26 -5.02 105.19 103.32 1g5w n GLY 99 Ca -0.19 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 4.07 -0.01 1.61 -0.21 -0.86 -5.10 119.66 119.16 1g5w s GLN 100 Ca 0.00 1.21 -0.15 0.00 0.02 0.00 0.00 55.36 56.44 1g5w s GLN 100 Cb 0.00 -2.15 0.02 0.00 1.00 0.00 0.00 33.01 31.88 1g5w s GLN 100 CO 0.00 -0.18 0.33 -1.83 -2.12 0.00 0.00 175.29 171.49 1g5w s GLU 101 N -3.19 0.70 -0.09 2.91 -1.05 -1.26 -0.92 118.70 115.79 1g5w s GLU 101 Ca 0.64 -0.20 0.01 0.00 -0.15 0.00 0.00 54.97 55.26 1g5w s GLU 101 Cb -0.12 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 1g5w s GLU 101 CO 0.16 -0.20 -0.11 -0.08 0.95 0.00 0.00 175.26 175.98 1g5w s THR 102 N -1.45 1.15 0.02 1.83 -1.32 -0.66 -4.46 115.64 110.75 1g5w s THR 102 Ca -0.13 -0.43 -0.24 0.00 -1.21 0.00 0.00 61.69 59.69 1g5w s THR 102 Cb -0.05 -1.10 -0.05 0.00 -1.51 0.00 0.00 72.50 69.79 1g5w s THR 102 CO 0.04 0.37 0.72 0.42 -2.21 0.00 0.00 174.62 173.96 1g5w s THR 103 N 1.16 4.81 -0.65 5.08 -4.23 -1.02 -1.80 115.64 119.00 1g5w s THR 103 Ca -0.05 1.51 0.02 0.00 -1.18 0.00 0.00 61.69 61.99 1g5w s THR 103 Cb -0.14 -4.06 0.16 0.00 1.34 0.00 0.00 72.50 69.80 1g5w s THR 103 CO -0.02 0.37 0.45 -0.76 -0.54 0.00 0.00 174.62 174.11 1g5w s LEU 104 N -0.00 4.86 -0.60 4.79 1.02 -0.09 -2.36 118.68 126.31 1g5w s LEU 104 Ca 0.36 -3.31 -0.19 0.00 0.02 0.00 0.00 54.13 51.01 1g5w s LEU 104 Cb -0.20 -1.73 0.10 0.00 0.02 0.00 0.00 46.19 44.38 1g5w s LEU 104 CO 0.21 -0.22 0.72 -0.69 0.02 0.00 0.00 176.35 176.40 1g5w s VAL 105 N -0.72 4.78 -0.16 -1.59 1.01 -0.87 -2.66 120.40 120.20 1g5w s VAL 105 Ca 0.21 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1g5w s VAL 105 Cb -0.16 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 1g5w s VAL 105 CO -0.07 -1.15 0.58 -0.13 0.00 0.00 0.00 175.10 174.33 1g5w s ARG 106 N 2.79 4.27 -0.16 2.72 1.81 -0.87 -1.96 118.95 127.56 1g5w s ARG 106 Ca 0.12 0.57 -0.09 0.00 -1.72 0.00 0.00 55.73 54.61 1g5w s ARG 106 Cb -0.24 -3.52 0.05 0.00 -0.45 0.00 0.00 34.95 30.80 1g5w s ARG 106 CO 0.07 -0.07 0.39 -1.83 -0.68 0.00 0.00 175.30 173.17 1g5w s GLU 107 N 1.35 0.37 -0.26 3.54 -1.05 -0.97 -1.79 118.70 119.90 1g5w s GLU 107 Ca 0.28 0.73 -0.29 0.00 -0.15 0.00 0.00 54.97 55.54 1g5w s GLU 107 Cb -0.16 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.53 1g5w s GLU 107 CO 0.11 -0.15 1.18 -0.51 0.95 0.00 0.00 175.26 176.84 1g5w s LEU 108 N 1.25 4.01 -0.28 1.83 2.01 -1.26 -1.31 118.68 124.93 1g5w s LEU 108 Ca -0.08 1.31 0.01 0.00 0.01 0.00 0.00 54.13 55.38 1g5w s LEU 108 Cb -0.08 -3.54 0.08 0.00 0.01 0.00 0.00 46.19 42.66 1g5w s LEU 108 CO -0.11 -0.87 -0.00 -0.63 1.01 0.00 0.00 176.35 175.75 1g5w s ILE 109 N 3.74 1.62 -1.18 -0.59 1.01 -0.67 -4.86 121.20 120.26 1g5w s ILE 109 Ca 0.50 -1.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 1g5w s ILE 109 Cb -0.16 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1g5w s ILE 109 CO 0.16 -0.33 0.87 0.47 0.00 0.00 0.00 174.94 176.10 1g5w n ASP 110 N 4.59 -3.36 0.00 3.58 8.00 -1.26 -2.38 116.55 125.72 1g5w n ASP 110 Ca -0.06 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1g5w n ASP 110 Cb 0.43 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 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 -1.34 2.58 3.70 0.44 0.00 -1.26 -5.02 105.19 104.28 1g5w n GLY 111 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 3.94 -0.37 1.61 1.02 -1.00 -4.78 119.74 120.15 1g5w s LYS 112 Ca 0.00 -0.28 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 1g5w s LYS 112 Cb 0.00 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1g5w s LYS 112 CO 0.00 0.36 0.93 -1.17 -0.92 0.00 0.00 175.35 174.55 1g5w s LEU 113 N 0.14 3.99 -0.40 3.17 2.96 -0.68 -1.68 118.68 126.18 1g5w s LEU 113 Ca 0.06 0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 54.42 1g5w s LEU 113 Cb -0.12 -3.27 0.04 0.00 0.50 0.00 0.00 46.19 43.34 1g5w s LEU 113 CO -0.00 -0.87 0.26 -0.63 -1.32 0.00 0.00 176.35 173.80 1g5w s ILE 114 N 3.49 4.81 -0.43 6.68 -1.09 -0.42 -1.89 121.20 132.35 1g5w s ILE 114 Ca 0.38 -0.90 -0.22 0.00 -2.23 0.00 0.00 60.65 57.68 1g5w s ILE 114 Cb -0.12 -3.74 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 1g5w s ILE 114 CO 0.19 -0.34 0.74 -0.22 -1.23 0.00 0.00 174.94 174.09 1g5w s LEU 115 N 1.59 4.28 -0.39 2.97 2.96 -0.64 -2.29 118.68 127.16 1g5w s LEU 115 Ca 0.03 -0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 53.74 1g5w s LEU 115 Cb -0.20 -2.91 0.02 0.00 0.50 0.00 0.00 46.19 43.60 1g5w s LEU 115 CO 0.07 -0.84 0.26 -0.89 -1.32 0.00 0.00 176.35 173.63 1g5w s THR 116 N 3.12 5.00 -0.74 3.68 2.01 -0.83 -1.25 115.64 126.64 1g5w s THR 116 Ca 0.28 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1g5w s THR 116 Cb -0.13 -3.77 0.19 0.00 0.01 0.00 0.00 72.50 68.81 1g5w s THR 116 CO 0.20 -0.25 0.64 -0.76 -0.69 0.00 0.00 174.62 173.76 1g5w s LEU 117 N 1.64 6.23 -0.40 4.42 1.43 -0.73 -2.05 118.68 129.21 1g5w s LEU 117 Ca 0.04 -2.66 -0.08 0.00 -1.03 0.00 0.00 54.13 50.40 1g5w s LEU 117 Cb -0.19 -2.10 0.07 0.00 0.03 0.00 0.00 46.19 44.01 1g5w s LEU 117 CO 0.09 -0.53 0.23 -0.89 0.23 0.00 0.00 176.35 175.47 1g5w s THR 118 N 0.23 4.06 -0.06 5.49 2.01 -0.99 -1.69 115.64 124.68 1g5w s THR 118 Ca 0.16 -1.40 -0.02 0.00 0.31 0.00 0.00 61.69 60.74 1g5w s THR 118 Cb -0.15 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1g5w s THR 118 CO -0.06 -0.46 -0.03 -0.74 -0.69 0.00 0.00 174.62 172.64 1g5w h HIS 119 N 8.34 0.00 0.00 4.92 6.17 -1.77 -2.70 115.15 130.11 1g5w h HIS 119 Ca -0.22 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.86 1g5w h HIS 119 Cb 1.08 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.01 1g5w h HIS 119 CO 0.60 0.00 0.00 0.41 0.71 0.00 0.00 177.93 179.65 1g5w n GLY 120 N 1.81 -0.47 2.07 5.26 0.00 -1.26 -4.64 105.19 107.96 1g5w n GLY 120 Ca -0.01 0.31 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 1g5w n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1g5w n THR 121 N -0.01 3.04 -3.18 2.61 5.66 -1.26 -4.75 114.28 116.38 1g5w n THR 121 Ca 0.00 -2.12 0.01 0.00 -3.05 0.00 0.00 64.05 58.90 1g5w n THR 121 Cb 0.00 -1.32 -0.01 0.00 -1.55 0.00 0.00 70.33 67.45 1g5w n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1g5w s ALA 122 N -2.30 -2.22 -0.27 1.79 0.00 -1.26 -4.98 121.76 112.52 1g5w s ALA 122 Ca 0.42 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 1g5w s ALA 122 Cb 0.32 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1g5w s ALA 122 CO -0.03 -1.91 0.31 0.54 0.00 0.00 0.00 175.76 174.67 1g5w s VAL 123 N 2.56 5.22 -0.39 0.00 0.11 -1.26 -3.25 120.40 123.39 1g5w s VAL 123 Ca 0.11 0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 59.57 1g5w s VAL 123 Cb -0.09 -3.64 0.09 0.00 -1.53 0.00 0.00 36.38 31.21 1g5w s VAL 123 CO -0.22 0.19 0.18 0.00 -3.33 0.00 0.00 175.10 171.92 1g5w s THR 125 N 1.22 4.86 -0.21 0.00 2.01 -1.11 -1.77 115.64 120.65 1g5w s THR 125 Ca 0.05 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1g5w s THR 125 Cb -0.22 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 1g5w s THR 125 CO -0.02 -0.57 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.14 1g5w s ARG 126 N 2.73 3.33 0.03 4.92 0.52 -0.38 -2.86 118.95 127.23 1g5w s ARG 126 Ca 0.21 -0.66 -0.21 0.00 -0.52 0.00 0.00 55.73 54.55 1g5w s ARG 126 Cb -0.14 -2.91 -0.06 0.00 0.52 0.00 0.00 34.95 32.36 1g5w s ARG 126 CO 0.18 -0.16 0.63 0.99 0.02 0.00 0.00 175.30 176.97 1g5w s THR 127 N 1.33 4.81 -0.08 0.02 2.01 -0.62 -1.62 115.64 121.49 1g5w s THR 127 Ca 0.04 1.33 0.01 0.00 0.31 0.00 0.00 61.69 63.38 1g5w s THR 127 Cb -0.14 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.42 1g5w s THR 127 CO -0.04 0.45 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.95 1g5w s TYR 128 N -0.43 1.26 0.21 4.92 1.51 -0.79 -1.51 117.35 122.51 1g5w s TYR 128 Ca 0.32 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1g5w s TYR 128 Cb -0.19 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 1g5w s TYR 128 CO 0.19 -0.34 0.42 -1.21 -1.11 0.00 0.00 175.55 173.50 1g5w s GLU 129 N 1.15 3.57 -0.26 -0.62 2.02 -1.20 -1.69 118.70 121.66 1g5w s GLU 129 Ca -0.06 -0.21 -0.24 0.00 0.02 0.00 0.00 54.97 54.48 1g5w s GLU 129 Cb -0.14 -2.80 -0.00 0.00 0.10 0.00 0.00 34.13 31.29 1g5w s GLU 129 CO -0.02 0.37 0.82 0.21 0.02 0.00 0.00 175.26 176.67 1g5w s LYS 130 N -3.23 4.13 -0.71 1.61 2.20 -1.26 -2.83 119.74 119.65 1g5w s LYS 130 Ca 0.40 0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 56.86 1g5w s LYS 130 Cb -0.11 -3.66 0.40 0.00 -1.51 0.00 0.00 37.83 32.94 1g5w s LYS 130 CO 0.28 -0.55 1.88 -1.91 -0.36 0.00 0.00 175.35 174.69 1g5w n GLU 131 N 6.05 2.86 0.00 4.03 4.07 -0.10 -5.00 120.64 132.55 1g5w n GLU 131 Ca 0.05 -3.58 0.00 0.00 -0.06 0.00 0.00 57.16 53.57 1g5w n GLU 131 Cb 0.48 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 1g5w n GLU 131 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07