#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g5w n ASP 2 N 0.00 -0.16 0.13 4.52 -0.08 -1.26 -4.74 116.55 114.96 1g5w n ASP 2 Ca 0.00 0.28 0.14 0.00 -1.51 0.00 0.00 54.79 53.70 1g5w n ASP 2 Cb 0.00 0.29 0.67 0.00 2.34 0.00 0.00 41.12 44.41 1g5w n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g5w h ALA 3 N 0.00 2.25 0.00 -1.67 0.00 -2.03 -2.42 119.26 115.39 1g5w h ALA 3 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1g5w h ALA 3 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1g5w h ALA 3 CO 0.00 -0.32 0.00 0.74 0.00 0.00 0.00 179.25 179.67 1g5w h PHE 4 N 0.00 0.00 -3.33 0.00 -1.00 -1.99 -3.46 116.94 107.16 1g5w h PHE 4 Ca 0.12 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.34 1g5w h PHE 4 Cb 0.50 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.00 1g5w h PHE 4 CO 0.00 0.00 0.32 -0.51 -1.61 0.00 0.00 178.31 176.51 1g5w s LEU 5 N -5.80 4.23 0.00 1.54 1.43 -0.91 -4.68 118.68 114.49 1g5w s LEU 5 Ca -0.04 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1g5w s LEU 5 Cb 0.11 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1g5w s LEU 5 CO 0.38 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1g5w n GLY 6 N 3.30 0.67 3.78 -3.19 0.00 -1.03 -4.99 105.19 103.73 1g5w n GLY 6 Ca 0.03 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.81 4.42 -0.14 2.61 2.01 -1.26 -1.92 115.64 119.54 1g5w s THR 7 Ca 0.00 1.63 -0.04 0.00 0.31 0.00 0.00 61.69 63.59 1g5w s THR 7 Cb 0.00 -4.10 0.06 0.00 0.01 0.00 0.00 72.50 68.47 1g5w s THR 7 CO 0.00 0.52 0.13 0.26 -0.69 0.00 0.00 174.62 174.84 1g5w s TRP 8 N -1.16 -0.01 -0.01 4.92 0.52 -0.54 -1.23 118.94 121.43 1g5w s TRP 8 Ca 0.35 0.06 -0.02 0.00 0.02 0.00 0.00 56.10 56.52 1g5w s TRP 8 Cb -0.22 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.55 1g5w s TRP 8 CO 0.25 -0.44 0.13 0.15 0.02 0.00 0.00 176.95 177.06 1g5w s LYS 9 N 2.22 3.27 0.09 4.98 1.02 -1.07 -1.19 119.74 129.05 1g5w s LYS 9 Ca 0.04 -0.39 -0.31 0.00 0.02 0.00 0.00 55.97 55.33 1g5w s LYS 9 Cb -0.15 -2.99 -0.08 0.00 -0.52 0.00 0.00 37.83 34.09 1g5w s LYS 9 CO -0.08 0.67 1.56 -1.17 -0.92 0.00 0.00 175.35 175.41 1g5w s LEU 10 N -1.80 4.36 -0.21 3.17 2.96 -1.14 -2.79 118.68 123.23 1g5w s LEU 10 Ca 0.25 2.45 -0.07 0.00 -0.22 0.00 0.00 54.13 56.54 1g5w s LEU 10 Cb -0.12 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 1g5w s LEU 10 CO 0.16 -0.82 -0.24 0.52 -1.32 0.00 0.00 176.35 174.64 1g5w n VAL 11 N 4.41 1.17 -4.06 1.68 0.31 -0.49 -4.93 118.33 116.43 1g5w n VAL 11 Ca 0.14 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.98 1g5w n VAL 11 Cb 0.41 -1.60 -0.14 0.00 -0.91 0.00 0.00 33.84 31.59 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 -6.61 0.41 -0.12 4.52 2.15 -0.77 -4.99 116.67 111.27 1g5w s ASP 12 Ca -0.29 -0.08 -0.01 0.00 0.43 0.00 0.00 52.55 52.60 1g5w s ASP 12 Cb 0.10 -0.04 0.03 0.00 -0.30 0.00 0.00 42.92 42.71 1g5w s ASP 12 CO 0.41 0.03 -0.04 -0.94 -0.17 0.00 0.00 175.17 174.46 1g5w s SER 13 N -0.13 2.24 0.00 -0.34 1.04 -1.26 -1.97 113.70 113.28 1g5w s SER 13 Ca 0.01 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1g5w s SER 13 Cb -0.02 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1g5w s SER 13 CO -0.00 -0.17 0.00 0.29 0.98 0.00 0.00 173.24 174.34 1g5w n LYS 14 N 4.99 0.00 -1.67 4.02 5.02 -1.26 -4.73 118.16 124.53 1g5w n LYS 14 Ca -0.11 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.85 1g5w n LYS 14 Cb 0.49 -0.09 -0.01 0.00 -0.02 0.00 0.00 35.03 35.41 1g5w n LYS 14 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1g5w n ASN 15 N -0.26 6.99 -0.02 4.39 3.02 -1.26 -4.78 115.26 123.34 1g5w n ASN 15 Ca 0.00 -3.51 -0.09 0.00 -0.03 0.00 0.00 54.58 50.96 1g5w n ASN 15 Cb 0.00 -1.15 -0.07 0.00 -0.61 0.00 0.00 39.78 37.95 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 2.95 -0.08 -0.95 3.10 3.57 -1.93 -2.27 116.94 121.33 1g5w h PHE 16 Ca 0.48 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 62.19 1g5w h PHE 16 Cb 0.41 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 1g5w h PHE 16 CO 1.32 0.43 0.62 -0.44 -2.23 0.00 0.00 178.31 178.01 1g5w h ASP 17 N -0.95 0.45 0.49 0.41 5.19 -1.86 -0.52 116.42 119.63 1g5w h ASP 17 Ca -0.01 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1g5w h ASP 17 Cb 0.54 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1g5w h ASP 17 CO 0.01 0.16 -0.24 -0.78 -3.12 0.00 0.00 179.24 175.27 1g5w h ASP 18 N 0.43 -0.56 -0.64 6.45 3.58 -1.93 -2.87 116.42 120.88 1g5w h ASP 18 Ca 0.51 -0.05 0.13 0.00 0.42 0.00 0.00 57.03 58.05 1g5w h ASP 18 Cb 1.24 0.14 -0.10 0.00 1.72 0.00 0.00 39.33 42.34 1g5w h ASP 18 CO -0.22 -0.29 0.08 0.22 -2.88 0.00 0.00 179.24 176.15 1g5w h TYR 19 N -0.82 0.10 -0.38 0.28 3.20 -1.18 -2.48 116.97 115.71 1g5w h TYR 19 Ca -0.07 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1g5w h TYR 19 Cb 0.57 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1g5w h TYR 19 CO -0.01 -0.11 0.18 0.52 -1.64 0.00 0.00 178.16 177.10 1g5w h MET 20 N 0.19 0.54 -0.66 1.82 2.86 -1.18 -2.51 114.93 116.00 1g5w h MET 20 Ca 0.34 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 1g5w h MET 20 Cb 0.56 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1g5w h MET 20 CO -0.49 0.49 0.17 -0.22 1.06 0.00 0.00 176.91 177.92 1g5w h LYS 21 N 0.47 1.03 -0.97 1.72 1.63 -1.46 -2.70 116.57 116.28 1g5w h LYS 21 Ca 0.13 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1g5w h LYS 21 Cb 0.13 -0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 31.55 1g5w h LYS 21 CO -0.02 0.90 0.63 0.77 -3.45 0.00 0.00 179.45 178.29 1g5w h SER 22 N 0.98 1.04 -0.62 4.20 0.02 -1.42 -2.85 113.55 114.91 1g5w h SER 22 Ca 0.21 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1g5w h SER 22 Cb 0.33 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1g5w h SER 22 CO -0.00 0.71 0.31 -0.07 -1.14 0.00 0.00 176.83 176.63 1g5w h LEU 23 N 1.21 0.83 0.00 5.07 3.38 -1.41 -3.47 115.31 120.92 1g5w h LEU 23 Ca 0.39 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1g5w h LEU 23 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1g5w h LEU 23 CO -0.13 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1g5w n GLY 24 N -1.12 0.70 2.69 0.83 0.00 -1.04 -5.13 105.19 102.11 1g5w n GLY 24 Ca 0.06 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.79 -0.14 0.00 1.61 1.01 -1.07 -5.00 120.40 116.02 1g5w s VAL 25 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1g5w s VAL 25 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1g5w s VAL 25 CO 0.00 0.06 0.27 0.61 0.00 0.00 0.00 175.10 176.04 1g5w n GLY 26 N 5.30 -0.96 2.00 4.51 0.00 -1.26 -4.24 105.19 110.54 1g5w n GLY 26 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.47 -1.22 -0.22 1.61 -1.74 -1.26 -4.83 117.46 109.33 1g5w n PHE 27 Ca 0.00 0.04 -0.08 0.00 -0.56 0.00 0.00 57.45 56.85 1g5w n PHE 27 Cb 0.00 0.57 0.04 0.00 1.52 0.00 0.00 39.48 41.60 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 0.88 0.15 1.98 0.00 -1.99 -1.63 119.26 118.65 1g5w h ALA 28 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 1g5w h ALA 28 Cb 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.57 1g5w h ALA 28 CO 0.00 0.67 -1.27 1.15 0.00 0.00 0.00 179.25 179.80 1g5w h THR 29 N 1.01 1.41 -0.55 0.00 2.02 -1.96 -3.07 112.91 111.78 1g5w h THR 29 Ca 0.19 -2.84 -0.01 0.00 0.77 0.00 0.00 66.41 64.52 1g5w h THR 29 Cb 0.50 2.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 1g5w h THR 29 CO 0.02 0.84 0.32 -0.09 0.37 0.00 0.00 175.52 176.98 1g5w h ARG 30 N 0.13 0.75 0.22 6.66 2.43 -1.85 -2.53 114.38 120.19 1g5w h ARG 30 Ca -0.17 -0.07 -0.32 0.00 -0.81 0.00 0.00 59.98 58.61 1g5w h ARG 30 Cb 1.98 -0.15 0.04 0.00 -0.42 0.00 0.00 29.97 31.41 1g5w h ARG 30 CO 0.22 0.55 -1.39 1.96 -1.51 0.00 0.00 179.97 179.81 1g5w h GLN 31 N 0.73 0.54 -0.07 0.20 4.20 -1.46 -3.21 115.11 116.05 1g5w h GLN 31 Ca 0.19 -0.88 -0.22 0.00 0.06 0.00 0.00 58.65 57.80 1g5w h GLN 31 Cb 0.00 0.32 0.01 0.00 0.30 0.00 0.00 27.48 28.11 1g5w h GLN 31 CO -0.03 1.42 -0.86 0.28 -0.67 0.00 0.00 178.83 178.97 1g5w h VAL 32 N 0.13 1.33 -0.25 -0.54 2.07 -1.64 -2.86 116.25 114.49 1g5w h VAL 32 Ca -0.24 -2.18 -0.09 0.00 0.82 0.00 0.00 66.70 65.02 1g5w h VAL 32 Cb 2.08 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 34.03 1g5w h VAL 32 CO 0.26 0.67 -0.23 0.00 0.02 0.00 0.00 177.57 178.28 1g5w h ALA 33 N 0.67 1.14 -0.36 1.67 0.00 -1.63 -1.67 119.26 119.08 1g5w h ALA 33 Ca -0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1g5w h ALA 33 Cb 1.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1g5w h ALA 33 CO 0.16 0.54 0.06 0.66 0.00 0.00 0.00 179.25 180.67 1g5w h SER 34 N 0.41 0.57 -0.58 0.00 4.64 -1.63 -3.26 113.55 113.70 1g5w h SER 34 Ca 0.06 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1g5w h SER 34 Cb 0.64 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1g5w h SER 34 CO 0.05 0.69 0.29 -0.03 -0.87 0.00 0.00 176.83 176.95 1g5w h MET 35 N 0.43 0.87 -7.13 4.77 -1.53 -1.52 -3.45 114.93 107.37 1g5w h MET 35 Ca 0.11 -0.12 -0.51 0.00 -3.44 0.00 0.00 59.70 55.74 1g5w h MET 35 Cb 0.36 -0.16 0.10 0.00 -0.55 0.00 0.00 31.60 31.34 1g5w h MET 35 CO 0.01 0.68 0.42 0.99 0.14 0.00 0.00 176.91 179.15 1g5w s THR 36 N -5.49 3.01 -0.57 -0.77 2.01 -0.63 -5.05 115.64 108.17 1g5w s THR 36 Ca -0.10 0.57 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 1g5w s THR 36 Cb 0.17 -3.16 0.14 0.00 0.01 0.00 0.00 72.50 69.66 1g5w s THR 36 CO 0.79 -0.20 0.47 -0.75 -0.69 0.00 0.00 174.62 174.24 1g5w s LYS 37 N -3.60 2.83 0.39 4.92 2.20 -1.26 -4.96 119.74 120.27 1g5w s LYS 37 Ca 0.72 -1.94 -0.24 0.00 -0.36 0.00 0.00 55.97 54.15 1g5w s LYS 37 Cb -0.24 -4.11 -0.09 0.00 -1.51 0.00 0.00 37.83 31.88 1g5w s LYS 37 CO 0.34 -1.25 1.04 -1.25 -0.36 0.00 0.00 175.35 173.87 1g5w s PRO 38 N 1.10 4.21 -0.42 4.03 0.04 -1.26 -4.78 135.00 137.93 1g5w s PRO 38 Ca 0.08 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.64 1g5w s PRO 38 Cb -0.24 -2.58 0.11 0.00 0.04 0.00 0.00 34.50 31.84 1g5w s PRO 38 CO -0.01 -0.10 0.17 0.99 0.04 0.00 0.00 177.00 178.09 1g5w s THR 39 N -1.64 2.75 -0.29 1.26 2.01 -0.73 -2.87 115.64 116.14 1g5w s THR 39 Ca 0.57 -2.49 -0.29 0.00 0.31 0.00 0.00 61.69 59.79 1g5w s THR 39 Cb -0.22 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.36 1g5w s THR 39 CO 0.28 -0.69 1.09 -0.89 -0.69 0.00 0.00 174.62 173.72 1g5w s THR 40 N 0.67 4.51 -0.25 -0.82 2.01 -0.33 -1.30 115.64 120.13 1g5w s THR 40 Ca 0.12 1.77 0.02 0.00 0.31 0.00 0.00 61.69 63.91 1g5w s THR 40 Cb -0.21 -4.35 0.05 0.00 0.01 0.00 0.00 72.50 68.00 1g5w s THR 40 CO -0.05 -0.39 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.76 1g5w s ILE 41 N 3.58 2.30 -0.26 1.82 1.01 -0.56 -1.47 121.20 127.62 1g5w s ILE 41 Ca 0.46 -1.47 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 1g5w s ILE 41 Cb -0.14 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.05 1g5w s ILE 41 CO 0.13 0.06 0.01 -0.63 0.00 0.00 0.00 174.94 174.51 1g5w s ILE 42 N 1.16 3.57 -0.11 2.92 1.01 -0.81 -1.28 121.20 127.66 1g5w s ILE 42 Ca -0.06 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1g5w s ILE 42 Cb -0.19 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.54 1g5w s ILE 42 CO -0.06 0.23 -0.12 -1.61 0.00 0.00 0.00 174.94 173.38 1g5w s GLU 43 N 1.46 1.88 -0.27 2.79 8.01 -1.05 -2.46 118.70 129.07 1g5w s GLU 43 Ca 0.03 -0.42 -0.13 0.00 0.01 0.00 0.00 54.97 54.46 1g5w s GLU 43 Cb -0.16 -1.71 -0.04 0.00 -4.31 0.00 0.00 34.13 27.90 1g5w s GLU 43 CO -0.01 -0.14 0.29 0.21 0.01 0.00 0.00 175.26 175.62 1g5w s LYS 44 N 1.25 4.00 0.00 1.61 2.20 -1.26 -1.14 119.74 126.40 1g5w s LYS 44 Ca -0.02 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1g5w s LYS 44 Cb -0.14 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1g5w s LYS 44 CO -0.04 -0.21 0.00 -1.71 -0.36 0.00 0.00 175.35 173.03 1g5w n ASN 45 N 5.13 0.00 0.00 1.43 2.85 -0.91 -4.93 115.26 118.83 1g5w n ASN 45 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1g5w n ASN 45 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 1g5w n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1g5w n GLY 46 N 2.55 -0.29 2.75 8.20 0.00 -1.26 -4.86 105.19 112.28 1g5w n GLY 46 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1g5w n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g5w n ASP 47 N -0.42 4.71 -3.83 1.61 2.03 -1.26 -5.03 116.55 114.36 1g5w n ASP 47 Ca 0.00 -3.70 -0.30 0.00 0.52 0.00 0.00 54.79 51.31 1g5w n ASP 47 Cb 0.00 -0.54 -0.15 0.00 -0.72 0.00 0.00 41.12 39.70 1g5w n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1g5w s ILE 48 N -4.91 1.20 -0.47 5.18 -1.09 -1.26 -4.13 121.20 115.72 1g5w s ILE 48 Ca 0.48 -1.31 -0.18 0.00 -2.23 0.00 0.00 60.65 57.41 1g5w s ILE 48 Cb 0.33 -1.72 0.04 0.00 -1.58 0.00 0.00 42.46 39.53 1g5w s ILE 48 CO -0.16 -0.40 0.55 -0.76 -1.23 0.00 0.00 174.94 172.93 1g5w s LEU 49 N 1.50 4.95 -0.78 2.97 1.43 -0.64 -2.14 118.68 125.96 1g5w s LEU 49 Ca 0.03 -0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 52.14 1g5w s LEU 49 Cb -0.18 -2.44 0.13 0.00 0.03 0.00 0.00 46.19 43.74 1g5w s LEU 49 CO -0.14 -0.76 0.92 -0.89 0.23 0.00 0.00 176.35 175.72 1g5w s THR 50 N 2.40 4.87 -0.53 5.49 2.01 -0.29 -2.36 115.64 127.23 1g5w s THR 50 Ca 0.14 -1.43 -0.17 0.00 0.31 0.00 0.00 61.69 60.54 1g5w s THR 50 Cb -0.18 -4.63 0.10 0.00 0.01 0.00 0.00 72.50 67.79 1g5w s THR 50 CO 0.13 -1.31 0.52 -0.22 -0.69 0.00 0.00 174.62 173.05 1g5w s LEU 51 N 2.39 5.71 -0.44 4.42 0.20 -0.54 -2.51 118.68 127.91 1g5w s LEU 51 Ca 0.23 -1.47 -0.13 0.00 0.69 0.00 0.00 54.13 53.45 1g5w s LEU 51 Cb -0.13 -2.25 0.06 0.00 -0.43 0.00 0.00 46.19 43.45 1g5w s LEU 51 CO -0.03 -0.85 0.32 -0.54 -0.29 0.00 0.00 176.35 174.96 1g5w s LYS 52 N 1.96 2.85 -0.70 1.98 1.02 -0.41 -2.68 119.74 123.76 1g5w s LYS 52 Ca 0.06 -1.30 -0.20 0.00 0.02 0.00 0.00 55.97 54.56 1g5w s LYS 52 Cb -0.26 -3.96 0.11 0.00 -0.52 0.00 0.00 37.83 33.20 1g5w s LYS 52 CO 0.06 -0.93 0.87 0.99 -0.92 0.00 0.00 175.35 175.42 1g5w s THR 53 N 1.57 4.72 -0.77 2.17 2.01 -0.44 -1.50 115.64 123.40 1g5w s THR 53 Ca 0.04 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 60.79 1g5w s THR 53 Cb -0.23 -4.60 0.12 0.00 0.01 0.00 0.00 72.50 67.80 1g5w s THR 53 CO 0.06 -1.29 0.94 -1.00 -0.69 0.00 0.00 174.62 172.64 1g5w s HIS 54 N 2.88 3.06 0.03 4.92 3.76 -0.42 -2.73 115.29 126.80 1g5w s HIS 54 Ca 0.19 -1.17 0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1g5w s HIS 54 Cb -0.17 -4.16 -0.04 0.00 1.11 0.00 0.00 32.58 29.32 1g5w s HIS 54 CO 0.03 -1.42 0.07 0.45 -0.85 0.00 0.00 174.74 173.02 1g5w s SER 55 N 3.48 5.54 -1.52 1.40 0.15 -1.26 -1.76 113.70 119.73 1g5w s SER 55 Ca 0.23 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 1g5w s SER 55 Cb -0.13 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 1g5w s SER 55 CO -0.01 0.23 2.64 0.35 1.20 0.00 0.00 173.24 177.65 1g5w n THR 56 N 0.91 3.87 0.09 6.45 -2.24 -1.26 -3.64 114.28 118.46 1g5w n THR 56 Ca -0.11 -2.68 0.00 0.00 -2.27 0.00 0.00 64.05 58.99 1g5w n THR 56 Cb 0.52 -2.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.16 1g5w n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1g5w n PHE 57 N 4.64 -3.21 -3.69 4.78 -0.00 -1.26 -5.01 117.46 113.71 1g5w n PHE 57 Ca 0.67 0.62 -0.13 0.00 -0.00 0.00 0.00 57.45 58.61 1g5w n PHE 57 Cb 0.29 1.82 -0.13 0.00 -0.00 0.00 0.00 39.48 41.46 1g5w n PHE 57 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 1g5w s LYS 58 N -1.90 0.17 -0.14 -4.13 0.00 -1.24 -5.15 119.74 107.35 1g5w s LYS 58 Ca 0.00 0.65 -0.18 0.00 0.00 0.00 0.00 55.97 56.44 1g5w s LYS 58 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 37.83 37.71 1g5w s LYS 58 CO 0.00 -0.23 0.48 -0.80 0.00 0.00 0.00 175.35 174.80 1g5w s ASN 59 N 1.89 6.65 -0.07 0.03 -0.87 -1.26 -4.04 114.94 117.28 1g5w s ASN 59 Ca -0.04 0.78 0.03 0.00 -1.57 0.00 0.00 52.86 52.06 1g5w s ASN 59 Cb -0.11 -2.29 0.01 0.00 -0.02 0.00 0.00 41.25 38.84 1g5w s ASN 59 CO -0.08 -0.04 -0.16 0.42 -2.57 0.00 0.00 177.10 174.67 1g5w s THR 60 N 0.87 1.38 -0.10 1.60 -4.23 -1.11 -4.96 115.64 109.09 1g5w s THR 60 Ca 0.25 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1g5w s THR 60 Cb -0.15 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.49 1g5w s THR 60 CO 0.10 0.41 -0.10 -0.70 -0.54 0.00 0.00 174.62 173.79 1g5w s GLU 61 N 0.44 1.67 -0.07 3.99 -6.30 -1.26 -1.33 118.70 115.84 1g5w s GLU 61 Ca -0.13 -0.34 0.05 0.00 -2.50 0.00 0.00 54.97 52.05 1g5w s GLU 61 Cb -0.15 -1.57 -0.01 0.00 0.00 0.00 0.00 34.13 32.40 1g5w s GLU 61 CO 0.04 -0.16 -0.22 0.96 0.02 0.00 0.00 175.26 175.90 1g5w s ILE 62 N 1.30 2.29 -0.31 -3.70 -4.36 -1.09 -4.99 121.20 110.34 1g5w s ILE 62 Ca -0.02 -0.97 0.03 0.00 -0.26 0.00 0.00 60.65 59.43 1g5w s ILE 62 Cb -0.14 -1.86 0.08 0.00 1.25 0.00 0.00 42.46 41.79 1g5w s ILE 62 CO -0.04 0.56 -0.01 -0.94 0.24 0.00 0.00 174.94 174.75 1g5w s SER 63 N -0.07 4.65 0.00 4.36 1.04 -1.25 -1.47 113.70 120.96 1g5w s SER 63 Ca -0.06 -1.82 0.03 0.00 0.48 0.00 0.00 55.95 54.59 1g5w s SER 63 Cb -0.14 -1.60 -0.01 0.00 0.10 0.00 0.00 66.02 64.36 1g5w s SER 63 CO 0.05 -0.30 -0.10 0.72 0.98 0.00 0.00 173.24 174.58 1g5w s PHE 64 N 1.00 0.92 0.04 5.02 -0.71 -1.00 -4.82 117.98 118.43 1g5w s PHE 64 Ca 0.02 -0.20 -0.11 0.00 -1.04 0.00 0.00 56.93 55.60 1g5w s PHE 64 Cb -0.20 -0.58 -0.06 0.00 -1.21 0.00 0.00 43.02 40.98 1g5w s PHE 64 CO -0.07 -0.01 0.38 0.15 -1.34 0.00 0.00 175.22 174.33 1g5w s LYS 65 N -0.40 3.78 -0.19 1.99 1.02 -1.26 -1.62 119.74 123.05 1g5w s LYS 65 Ca 0.03 0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.94 1g5w s LYS 65 Cb -0.05 -3.08 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1g5w s LYS 65 CO -0.00 0.62 1.13 -0.51 -0.92 0.00 0.00 175.35 175.67 1g5w s LEU 66 N -1.58 4.15 0.00 3.17 2.01 -1.26 -3.37 118.68 121.79 1g5w s LEU 66 Ca 0.29 1.53 0.00 0.00 0.01 0.00 0.00 54.13 55.96 1g5w s LEU 66 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.51 1g5w s LEU 66 CO 0.16 -0.69 0.00 0.61 1.01 0.00 0.00 176.35 177.44 1g5w n GLY 67 N 3.42 0.79 2.74 -3.19 0.00 -0.26 -4.91 105.19 103.78 1g5w n GLY 67 Ca 0.13 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.80 -0.11 -0.06 1.61 1.01 -1.22 -5.02 120.40 113.81 1g5w s VAL 68 Ca 0.00 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 1g5w s VAL 68 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 1g5w s VAL 68 CO 0.00 0.14 0.71 -0.70 0.00 0.00 0.00 175.10 175.25 1g5w s GLU 69 N 1.79 4.44 -0.08 2.72 2.12 -1.26 -3.98 118.70 124.46 1g5w s GLU 69 Ca -0.00 0.90 -0.03 0.00 0.36 0.00 0.00 54.97 56.20 1g5w s GLU 69 Cb -0.12 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.86 1g5w s GLU 69 CO -0.04 0.07 0.17 -0.59 -0.54 0.00 0.00 175.26 174.33 1g5w s PHE 70 N 0.77 -0.21 -0.34 5.30 -0.71 -1.06 -4.92 117.98 116.81 1g5w s PHE 70 Ca 0.38 0.57 -0.29 0.00 -1.04 0.00 0.00 56.93 56.55 1g5w s PHE 70 Cb -0.18 -0.07 -0.00 0.00 -1.21 0.00 0.00 43.02 41.56 1g5w s PHE 70 CO 0.19 -0.19 1.52 0.16 -1.34 0.00 0.00 175.22 175.56 1g5w s ASP 71 N 1.32 6.29 -0.11 1.98 -4.77 -1.26 -1.60 116.67 118.53 1g5w s ASP 71 Ca -0.08 1.14 0.01 0.00 -3.30 0.00 0.00 52.55 50.32 1g5w s ASP 71 Cb -0.11 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.16 1g5w s ASP 71 CO -0.07 -1.41 -0.13 -0.70 0.70 0.00 0.00 175.17 173.57 1g5w s GLU 72 N 4.94 3.16 -0.23 2.11 2.56 -0.48 -4.89 118.70 125.87 1g5w s GLU 72 Ca 0.67 -0.67 -0.17 0.00 0.00 0.00 0.00 54.97 54.79 1g5w s GLU 72 Cb -0.18 -2.58 -0.03 0.00 2.00 0.00 0.00 34.13 33.33 1g5w s GLU 72 CO 0.31 0.34 0.48 0.99 -0.56 0.00 0.00 175.26 176.81 1g5w s THR 73 N 0.03 5.12 0.74 -1.70 2.01 -1.26 -1.51 115.64 119.07 1g5w s THR 73 Ca -0.04 0.84 -0.07 0.00 0.31 0.00 0.00 61.69 62.73 1g5w s THR 73 Cb -0.14 -3.80 0.09 0.00 0.01 0.00 0.00 72.50 68.66 1g5w s THR 73 CO 0.04 0.16 1.05 0.42 -0.69 0.00 0.00 174.62 175.60 1g5w s THR 74 N 1.83 2.23 0.39 -0.82 -4.23 -1.02 -4.88 115.64 109.14 1g5w s THR 74 Ca 0.21 -0.29 0.07 0.00 -1.18 0.00 0.00 61.69 60.50 1g5w s THR 74 Cb -0.15 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 71.04 1g5w s THR 74 CO 0.09 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.17 1g5w h ALA 75 N -0.71 1.74 0.00 3.99 0.00 -1.93 -2.22 119.26 120.12 1g5w h ALA 75 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1g5w h ALA 75 Cb 1.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1g5w h ALA 75 CO 0.54 0.18 0.00 -3.47 0.00 0.00 0.00 179.25 176.50 1g5w n ASP 76 N -4.47 0.24 -3.09 0.00 4.64 -1.26 -4.96 116.55 107.65 1g5w n ASP 76 Ca 0.08 -1.76 -0.04 0.00 -1.38 0.00 0.00 54.79 51.69 1g5w n ASP 76 Cb 0.18 -0.12 0.00 0.00 -1.04 0.00 0.00 41.12 40.14 1g5w n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1g5w n ASP 77 N -0.35 -7.56 -3.76 1.67 -0.08 -0.84 -5.07 116.55 100.57 1g5w n ASP 77 Ca 0.00 -0.04 -0.21 0.00 -1.51 0.00 0.00 54.79 53.03 1g5w n ASP 77 Cb 0.06 -4.98 -0.17 0.00 2.34 0.00 0.00 41.12 38.37 1g5w n ASP 77 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1g5w s ARG 78 N -3.08 0.42 -0.73 -0.67 0.52 -1.26 -4.90 118.95 109.25 1g5w s ARG 78 Ca 0.05 0.16 -0.27 0.00 -0.52 0.00 0.00 55.73 55.15 1g5w s ARG 78 Cb -0.01 -0.79 0.02 0.00 0.52 0.00 0.00 34.95 34.68 1g5w s ARG 78 CO 0.77 -0.28 1.43 -1.59 0.02 0.00 0.00 175.30 175.65 1g5w s LYS 79 N 1.85 3.07 -0.15 3.54 0.00 -1.26 -2.43 119.74 124.37 1g5w s LYS 79 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 55.97 55.89 1g5w s LYS 79 Cb -0.12 -4.30 -0.01 0.00 0.00 0.00 0.00 37.83 33.39 1g5w s LYS 79 CO -0.04 -2.30 -0.11 0.14 0.00 0.00 0.00 175.35 173.03 1g5w s VAL 80 N 6.52 3.14 -0.73 1.79 -7.23 -0.57 -4.66 120.40 118.67 1g5w s VAL 80 Ca 0.43 -0.62 -0.27 0.00 -1.81 0.00 0.00 61.98 59.72 1g5w s VAL 80 Cb -0.09 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.53 1g5w s VAL 80 CO 0.15 0.51 1.42 -0.54 -0.31 0.00 0.00 175.10 176.32 1g5w s LYS 81 N 0.56 3.08 -0.80 4.82 -0.14 -0.26 -1.38 119.74 125.62 1g5w s LYS 81 Ca -0.07 -0.10 -0.18 0.00 -1.36 0.00 0.00 55.97 54.26 1g5w s LYS 81 Cb -0.15 -4.29 0.14 0.00 -1.68 0.00 0.00 37.83 31.85 1g5w s LYS 81 CO 0.03 -2.29 0.92 -1.12 -0.76 0.00 0.00 175.35 172.13 1g5w s SER 82 N 4.77 6.52 -0.48 2.83 0.01 -0.62 -2.53 113.70 124.20 1g5w s SER 82 Ca 0.43 -1.98 -0.14 0.00 1.31 0.00 0.00 55.95 55.57 1g5w s SER 82 Cb -0.09 -2.33 0.09 0.00 0.21 0.00 0.00 66.02 63.91 1g5w s SER 82 CO 0.15 -0.98 0.39 -0.51 0.41 0.00 0.00 173.24 172.70 1g5w s ILE 83 N 2.15 4.93 -0.13 1.44 1.10 -0.62 -2.56 121.20 127.51 1g5w s ILE 83 Ca 0.23 -1.31 0.02 0.00 -0.51 0.00 0.00 60.65 59.08 1g5w s ILE 83 Cb -0.12 -4.04 0.01 0.00 0.15 0.00 0.00 42.46 38.46 1g5w s ILE 83 CO -0.04 -0.66 -0.19 0.54 -2.11 0.00 0.00 174.94 172.47 1g5w s VAL 84 N 1.56 1.85 0.08 4.00 0.11 -1.26 -2.08 120.40 124.67 1g5w s VAL 84 Ca 0.04 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1g5w s VAL 84 Cb -0.26 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 1g5w s VAL 84 CO 0.04 0.51 -0.07 0.28 -3.33 0.00 0.00 175.10 172.53 1g5w s THR 85 N 0.89 0.68 -0.48 5.04 -1.32 -0.99 -1.10 115.64 118.36 1g5w s THR 85 Ca -0.07 -1.65 -0.22 0.00 -1.21 0.00 0.00 61.69 58.54 1g5w s THR 85 Cb -0.15 -1.33 0.03 0.00 -1.51 0.00 0.00 72.50 69.54 1g5w s THR 85 CO -0.02 -0.69 0.77 -0.22 -2.21 0.00 0.00 174.62 172.24 1g5w s LEU 86 N -2.54 4.38 -0.75 9.08 2.96 -1.26 -1.72 118.68 128.82 1g5w s LEU 86 Ca 0.05 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1g5w s LEU 86 Cb -0.00 -2.81 0.19 0.00 0.50 0.00 0.00 46.19 44.07 1g5w s LEU 86 CO -0.03 -0.96 0.61 -0.62 -1.32 0.00 0.00 176.35 174.04 1g5w s ASP 87 N 2.35 5.76 -1.14 3.68 2.15 -0.35 -4.76 116.67 124.37 1g5w s ASP 87 Ca 0.26 -3.12 -0.01 0.00 0.43 0.00 0.00 52.55 50.11 1g5w s ASP 87 Cb -0.14 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 1g5w s ASP 87 CO 0.20 -0.34 0.95 0.61 -0.17 0.00 0.00 175.17 176.42 1g5w n GLY 88 N 3.18 -0.32 2.15 2.66 0.00 -1.26 -3.28 105.19 108.31 1g5w n GLY 88 Ca 0.13 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.21 0.29 2.75 -0.02 0.00 -1.26 -5.06 105.19 100.68 1g5w n GLY 89 Ca -0.24 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 1g5w n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g5w s LYS 90 N -3.91 0.13 -0.61 1.61 2.20 -1.21 -4.68 119.74 113.27 1g5w s LYS 90 Ca 0.00 0.24 -0.24 0.00 -0.36 0.00 0.00 55.97 55.62 1g5w s LYS 90 Cb 0.00 -1.09 0.05 0.00 -1.51 0.00 0.00 37.83 35.28 1g5w s LYS 90 CO 0.00 -0.57 0.98 -1.17 -0.36 0.00 0.00 175.35 174.22 1g5w s LEU 91 N 2.29 4.15 -0.40 5.43 0.20 -0.91 -1.21 118.68 128.23 1g5w s LEU 91 Ca 0.05 -0.63 -0.11 0.00 0.69 0.00 0.00 54.13 54.13 1g5w s LEU 91 Cb -0.15 -2.63 0.05 0.00 -0.43 0.00 0.00 46.19 43.03 1g5w s LEU 91 CO -0.10 -1.37 0.25 -0.69 -0.29 0.00 0.00 176.35 174.15 1g5w s VAL 92 N 4.13 4.58 -0.37 1.68 1.01 -0.70 -1.74 120.40 128.99 1g5w s VAL 92 Ca 0.27 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1g5w s VAL 92 Cb -0.14 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1g5w s VAL 92 CO 0.15 -0.36 0.19 -2.28 0.00 0.00 0.00 175.10 172.80 1g5w s HIS 93 N 1.53 3.26 -0.26 5.22 5.04 -1.06 -2.35 115.29 126.67 1g5w s HIS 93 Ca 0.02 -1.17 -0.09 0.00 -1.54 0.00 0.00 55.06 52.29 1g5w s HIS 93 Cb -0.21 -2.49 -0.04 0.00 0.04 0.00 0.00 32.58 29.88 1g5w s HIS 93 CO 0.06 -0.70 0.13 -1.17 -2.34 0.00 0.00 174.74 170.71 1g5w s LEU 94 N 1.50 3.76 -0.25 8.88 2.96 -0.88 -1.04 118.68 133.61 1g5w s LEU 94 Ca 0.01 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1g5w s LEU 94 Cb -0.20 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.49 1g5w s LEU 94 CO 0.05 -0.02 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.91 1g5w s GLN 95 N 1.55 2.93 -0.09 1.98 -0.21 -0.74 -1.58 119.66 123.51 1g5w s GLN 95 Ca 0.06 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 54.54 1g5w s GLN 95 Cb -0.15 -3.02 -0.02 0.00 1.00 0.00 0.00 33.01 30.81 1g5w s GLN 95 CO 0.07 -0.38 -0.12 0.15 -2.12 0.00 0.00 175.29 172.89 1g5w s LYS 96 N 1.36 2.95 -0.25 2.91 1.02 -1.05 -1.85 119.74 124.83 1g5w s LYS 96 Ca 0.01 -0.66 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 1g5w s LYS 96 Cb -0.16 -2.54 0.14 0.00 -0.52 0.00 0.00 37.83 34.75 1g5w s LYS 96 CO -0.04 0.45 0.41 1.67 -0.92 0.00 0.00 175.35 176.93 1g5w s TRP 97 N -0.26 -0.95 -1.29 3.18 -2.14 -0.19 -1.10 118.94 116.19 1g5w s TRP 97 Ca 0.02 1.01 -0.01 0.00 2.66 0.00 0.00 56.10 59.78 1g5w s TRP 97 Cb -0.13 0.12 -0.00 0.00 -3.10 0.00 0.00 33.47 30.36 1g5w s TRP 97 CO 0.03 -0.73 0.69 -3.47 -2.66 0.00 0.00 176.95 170.81 1g5w n ASP 98 N 5.38 -1.49 0.00 -2.66 2.03 -1.26 -1.92 116.55 116.62 1g5w n ASP 98 Ca -0.04 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.44 1g5w n ASP 98 Cb 0.50 -4.00 0.00 0.00 -0.72 0.00 0.00 41.12 36.91 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 -1.59 2.08 3.68 0.27 0.00 -1.26 -5.03 105.19 103.34 1g5w n GLY 99 Ca -0.28 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 4.38 -0.04 1.61 -0.21 -0.81 -5.06 119.66 119.53 1g5w s GLN 100 Ca 0.00 1.31 0.02 0.00 0.02 0.00 0.00 55.36 56.71 1g5w s GLN 100 Cb 0.00 -3.56 0.02 0.00 1.00 0.00 0.00 33.01 30.47 1g5w s GLN 100 CO 0.00 -0.35 -0.07 -1.83 -2.12 0.00 0.00 175.29 170.92 1g5w s GLU 101 N 2.14 1.06 -0.08 2.91 -1.05 -1.26 -1.02 118.70 121.39 1g5w s GLU 101 Ca 0.46 -0.22 0.04 0.00 -0.15 0.00 0.00 54.97 55.10 1g5w s GLU 101 Cb -0.18 -0.97 -0.01 0.00 -0.44 0.00 0.00 34.13 32.53 1g5w s GLU 101 CO 0.16 -0.01 -0.22 -0.08 0.95 0.00 0.00 175.26 176.06 1g5w s THR 102 N 0.66 2.32 -0.16 1.83 -1.32 -0.77 -4.69 115.64 113.51 1g5w s THR 102 Ca -0.10 -0.95 -0.07 0.00 -1.21 0.00 0.00 61.69 59.35 1g5w s THR 102 Cb -0.13 -1.89 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 1g5w s THR 102 CO 0.01 0.56 0.08 0.42 -2.21 0.00 0.00 174.62 173.48 1g5w s THR 103 N 0.04 4.97 -0.62 5.08 -4.23 -0.99 -1.79 115.64 118.11 1g5w s THR 103 Ca -0.09 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1g5w s THR 103 Cb -0.15 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.63 1g5w s THR 103 CO 0.05 0.50 0.42 -0.76 -0.54 0.00 0.00 174.62 174.29 1g5w s LEU 104 N -0.00 5.00 -0.47 4.79 1.02 -0.21 -2.24 118.68 126.56 1g5w s LEU 104 Ca 0.07 -2.99 -0.16 0.00 0.02 0.00 0.00 54.13 51.07 1g5w s LEU 104 Cb -0.12 -1.80 0.06 0.00 0.02 0.00 0.00 46.19 44.36 1g5w s LEU 104 CO 0.01 -0.31 0.44 -0.69 0.02 0.00 0.00 176.35 175.82 1g5w s VAL 105 N -0.26 5.15 -0.24 -1.59 1.01 -0.83 -2.57 120.40 121.08 1g5w s VAL 105 Ca 0.18 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1g5w s VAL 105 Cb -0.21 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1g5w s VAL 105 CO -0.03 -0.59 0.18 -0.13 0.00 0.00 0.00 175.10 174.52 1g5w s ARG 106 N 1.90 4.08 -0.02 2.72 0.52 -0.71 -1.47 118.95 125.96 1g5w s ARG 106 Ca 0.07 -0.23 -0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1g5w s ARG 106 Cb -0.22 -3.54 0.03 0.00 0.52 0.00 0.00 34.95 31.74 1g5w s ARG 106 CO 0.09 0.06 0.03 -1.83 0.02 0.00 0.00 175.30 173.67 1g5w s GLU 107 N 1.07 -0.03 -0.40 3.54 -1.05 -0.99 -2.13 118.70 118.69 1g5w s GLU 107 Ca 0.09 0.20 -0.27 0.00 -0.15 0.00 0.00 54.97 54.83 1g5w s GLU 107 Cb -0.14 -0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.33 1g5w s GLU 107 CO 0.05 -0.17 1.01 -0.51 0.95 0.00 0.00 175.26 176.59 1g5w s LEU 108 N 1.07 3.89 -0.25 1.83 2.01 -1.26 -1.72 118.68 124.25 1g5w s LEU 108 Ca -0.09 0.56 0.02 0.00 0.01 0.00 0.00 54.13 54.63 1g5w s LEU 108 Cb -0.13 -3.38 0.06 0.00 0.01 0.00 0.00 46.19 42.76 1g5w s LEU 108 CO -0.03 -1.00 -0.07 -0.63 1.01 0.00 0.00 176.35 175.63 1g5w s ILE 109 N 3.81 1.78 -1.23 -0.59 1.01 -0.93 -4.83 121.20 120.22 1g5w s ILE 109 Ca 0.42 -1.42 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 1g5w s ILE 109 Cb -0.10 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1g5w s ILE 109 CO 0.23 -0.10 0.89 0.47 0.00 0.00 0.00 174.94 176.43 1g5w n ASP 110 N 4.57 -1.81 -1.76 3.58 8.00 -1.26 -2.65 116.55 125.22 1g5w n ASP 110 Ca -0.12 -0.69 -0.19 0.00 0.71 0.00 0.00 54.79 54.50 1g5w n ASP 110 Cb 0.43 -4.75 -0.05 0.00 -0.02 0.00 0.00 41.12 36.73 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 -1.29 0.79 2.95 0.44 0.00 -1.26 -5.03 105.19 101.79 1g5w n GLY 111 Ca -0.29 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.21 1.11 -0.45 1.61 1.02 -1.09 -4.36 119.74 113.38 1g5w s LYS 112 Ca 0.00 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 1g5w s LYS 112 Cb 0.00 -1.01 0.02 0.00 -0.52 0.00 0.00 37.83 36.32 1g5w s LYS 112 CO 0.00 -0.01 1.27 -1.17 -0.92 0.00 0.00 175.35 174.52 1g5w s LEU 113 N 0.68 3.61 -0.67 3.17 2.96 -0.66 -2.19 118.68 125.59 1g5w s LEU 113 Ca -0.11 0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 54.29 1g5w s LEU 113 Cb -0.14 -3.55 0.17 0.00 0.50 0.00 0.00 46.19 43.17 1g5w s LEU 113 CO 0.01 -1.34 0.64 -0.63 -1.32 0.00 0.00 176.35 173.71 1g5w s ILE 114 N 4.93 5.34 -0.58 6.68 -1.09 -0.70 -2.02 121.20 133.77 1g5w s ILE 114 Ca 0.54 -1.88 -0.24 0.00 -2.23 0.00 0.00 60.65 56.85 1g5w s ILE 114 Cb -0.10 -4.42 0.05 0.00 -1.58 0.00 0.00 42.46 36.41 1g5w s ILE 114 CO 0.32 -0.97 0.94 -0.22 -1.23 0.00 0.00 174.94 173.78 1g5w s LEU 115 N 1.09 4.18 -0.49 2.97 2.96 -0.52 -2.35 118.68 126.52 1g5w s LEU 115 Ca 0.11 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.34 1g5w s LEU 115 Cb -0.21 -2.72 0.08 0.00 0.50 0.00 0.00 46.19 43.85 1g5w s LEU 115 CO -0.02 -1.27 0.43 -0.89 -1.32 0.00 0.00 176.35 173.28 1g5w s THR 116 N 3.95 5.21 -0.52 3.68 2.01 -0.54 -1.65 115.64 127.78 1g5w s THR 116 Ca 0.28 -1.12 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 1g5w s THR 116 Cb -0.14 -4.18 0.10 0.00 0.01 0.00 0.00 72.50 68.29 1g5w s THR 116 CO 0.17 -0.65 0.51 -0.76 -0.69 0.00 0.00 174.62 173.20 1g5w s LEU 117 N 1.69 5.73 -0.17 4.42 1.43 -0.57 -1.96 118.68 129.26 1g5w s LEU 117 Ca 0.04 -1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 51.65 1g5w s LEU 117 Cb -0.25 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1g5w s LEU 117 CO 0.06 -0.83 -0.10 -0.89 0.23 0.00 0.00 176.35 174.82 1g5w s THR 118 N 1.90 3.14 0.00 5.49 2.01 -0.95 -1.59 115.64 125.65 1g5w s THR 118 Ca 0.06 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1g5w s THR 118 Cb -0.26 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 69.89 1g5w s THR 118 CO 0.06 0.49 0.00 1.57 -0.69 0.00 0.00 174.62 176.05 1g5w n HIS 119 N 4.03 0.00 -3.66 4.92 -0.00 -1.24 -2.35 115.22 116.92 1g5w n HIS 119 Ca -0.18 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.16 1g5w n HIS 119 Cb 0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.42 1g5w n HIS 119 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1g5w s GLY 120 N -0.17 2.39 -1.62 1.57 0.00 -1.26 -4.70 107.32 103.52 1g5w s GLY 120 Ca 0.00 -3.07 -0.17 0.00 0.00 0.00 0.00 44.72 41.47 1g5w s GLY 120 CO 0.00 1.11 0.77 -0.37 0.00 0.00 0.00 173.10 174.61 1g5w n THR 121 N 3.88 -1.07 -3.22 0.90 5.66 -1.26 -4.86 114.28 114.30 1g5w n THR 121 Ca 0.05 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.04 1g5w n THR 121 Cb 0.40 -1.76 -0.02 0.00 -1.55 0.00 0.00 70.33 67.39 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 -3.22 -2.01 -0.40 1.79 0.00 -1.26 -4.99 121.76 111.67 1g5w s ALA 122 Ca 0.70 0.27 -0.19 0.00 0.00 0.00 0.00 51.96 52.74 1g5w s ALA 122 Cb -0.38 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.22 1g5w s ALA 122 CO 0.86 -2.06 0.58 0.54 0.00 0.00 0.00 175.76 175.67 1g5w s VAL 123 N 2.11 4.93 -0.50 0.00 0.11 -1.26 -3.69 120.40 122.10 1g5w s VAL 123 Ca 0.14 0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 59.21 1g5w s VAL 123 Cb -0.08 -4.09 0.08 0.00 -1.53 0.00 0.00 36.38 30.76 1g5w s VAL 123 CO -0.14 -0.41 0.51 0.00 -3.33 0.00 0.00 175.10 171.73 1g5w s THR 125 N 2.08 4.49 -0.33 0.00 2.01 -1.26 -1.52 115.64 121.12 1g5w s THR 125 Ca 0.08 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1g5w s THR 125 Cb -0.23 -4.59 -0.00 0.00 0.01 0.00 0.00 72.50 67.68 1g5w s THR 125 CO 0.08 -1.30 0.18 -0.13 -0.69 0.00 0.00 174.62 172.76 1g5w s ARG 126 N 3.61 3.29 -0.01 4.92 0.52 -0.66 -4.16 118.95 126.45 1g5w s ARG 126 Ca 0.20 -0.76 -0.25 0.00 -0.52 0.00 0.00 55.73 54.40 1g5w s ARG 126 Cb -0.18 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 1g5w s ARG 126 CO 0.10 -0.47 0.77 0.99 0.02 0.00 0.00 175.30 176.72 1g5w s THR 127 N 1.63 4.89 -0.08 0.02 2.01 -0.83 -1.44 115.64 121.83 1g5w s THR 127 Ca 0.05 1.62 0.01 0.00 0.31 0.00 0.00 61.69 63.67 1g5w s THR 127 Cb -0.17 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.24 1g5w s THR 127 CO 0.07 0.29 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.88 1g5w s TYR 128 N 0.47 1.41 0.28 4.92 1.51 -0.86 -1.40 117.35 123.68 1g5w s TYR 128 Ca 0.40 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.76 1g5w s TYR 128 Cb -0.19 -1.10 -0.08 0.00 -0.11 0.00 0.00 41.96 40.48 1g5w s TYR 128 CO 0.22 -0.36 0.64 -2.00 -1.11 0.00 0.00 175.55 172.94 1g5w s GLU 129 N 1.07 3.87 -0.28 -0.62 2.12 -1.12 -1.65 118.70 122.09 1g5w s GLU 129 Ca -0.07 0.43 -0.28 0.00 0.36 0.00 0.00 54.97 55.41 1g5w s GLU 129 Cb -0.14 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.71 1g5w s GLU 129 CO -0.01 0.23 0.99 0.21 -0.54 0.00 0.00 175.26 176.13 1g5w s LYS 130 N -2.99 4.13 -0.50 4.30 2.20 -1.26 -2.59 119.74 123.03 1g5w s LYS 130 Ca 0.50 1.07 0.04 0.00 -0.36 0.00 0.00 55.97 57.23 1g5w s LYS 130 Cb -0.11 -3.69 0.40 0.00 -1.51 0.00 0.00 37.83 32.92 1g5w s LYS 130 CO 0.21 -0.73 1.17 0.39 -0.36 0.00 0.00 175.35 176.03 1g5w n GLU 131 N 6.48 3.38 0.00 4.03 -0.58 -0.37 -5.00 120.64 128.58 1g5w n GLU 131 Ca 0.10 -4.48 0.00 0.00 -0.42 0.00 0.00 57.16 52.36 1g5w n GLU 131 Cb 0.47 -2.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.09 1g5w n GLU 131 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65