#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 0.86 0.19 4.52 1.82 -2.01 -1.88 116.42 119.92 1g5w h ASP 2 Ca 0.00 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 1g5w h ASP 2 Cb 0.00 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.79 1g5w h ASP 2 CO 0.00 0.65 -0.16 0.00 -1.61 0.00 0.00 179.24 178.12 1g5w h ALA 3 N 1.50 1.64 0.00 -0.78 0.00 -2.04 -3.14 119.26 116.45 1g5w h ALA 3 Ca 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1g5w h ALA 3 Cb -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1g5w h ALA 3 CO -0.05 0.20 -0.11 0.74 0.00 0.00 0.00 179.25 180.03 1g5w h PHE 4 N 0.00 0.00 -2.77 0.00 0.04 -1.76 -3.46 116.94 108.99 1g5w h PHE 4 Ca -0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 1g5w h PHE 4 Cb 0.30 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 1g5w h PHE 4 CO 0.00 0.11 1.13 -0.51 -0.60 0.00 0.00 178.31 178.44 1g5w s LEU 5 N -6.42 3.88 0.00 1.54 1.43 -1.08 -4.48 118.68 113.56 1g5w s LEU 5 Ca 0.02 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 1g5w s LEU 5 Cb 0.09 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1g5w s LEU 5 CO 0.61 -1.27 0.00 0.61 0.23 0.00 0.00 176.35 176.53 1g5w n GLY 6 N 4.68 1.32 3.84 -3.19 0.00 -0.89 -5.01 105.19 105.94 1g5w n GLY 6 Ca 0.19 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.97 5.00 -0.12 2.61 2.01 -1.26 -2.34 115.64 119.58 1g5w s THR 7 Ca 0.00 0.85 -0.03 0.00 0.31 0.00 0.00 61.69 62.82 1g5w s THR 7 Cb 0.00 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.83 1g5w s THR 7 CO 0.00 0.55 0.06 0.26 -0.69 0.00 0.00 174.62 174.80 1g5w s TRP 8 N -1.12 0.32 0.06 4.92 0.52 -0.63 -0.86 118.94 122.15 1g5w s TRP 8 Ca 0.25 -0.17 -0.05 0.00 0.02 0.00 0.00 56.10 56.16 1g5w s TRP 8 Cb -0.17 -0.68 -0.05 0.00 -1.15 0.00 0.00 33.47 31.43 1g5w s TRP 8 CO 0.14 -0.39 0.30 0.15 0.02 0.00 0.00 176.95 177.17 1g5w s LYS 9 N 2.09 3.58 0.02 4.98 1.02 -0.93 -1.62 119.74 128.88 1g5w s LYS 9 Ca 0.03 -0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 1g5w s LYS 9 Cb -0.14 -3.00 -0.06 0.00 -0.52 0.00 0.00 37.83 34.11 1g5w s LYS 9 CO -0.06 0.58 1.38 -1.17 -0.92 0.00 0.00 175.35 175.16 1g5w s LEU 10 N -2.16 4.33 -0.21 3.17 2.96 -1.26 -2.55 118.68 122.95 1g5w s LEU 10 Ca 0.33 2.13 -0.04 0.00 -0.22 0.00 0.00 54.13 56.34 1g5w s LEU 10 Cb -0.13 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.88 1g5w s LEU 10 CO 0.21 -0.69 -0.22 0.52 -1.32 0.00 0.00 176.35 174.85 1g5w n VAL 11 N 4.50 1.16 -3.81 1.68 0.31 -0.61 -4.92 118.33 116.64 1g5w n VAL 11 Ca 0.13 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.94 1g5w n VAL 11 Cb 0.44 -1.45 -0.15 0.00 -0.91 0.00 0.00 33.84 31.76 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 -6.36 0.02 -0.22 4.52 2.15 -0.83 -4.99 116.67 110.96 1g5w s ASP 12 Ca -0.28 0.06 0.02 0.00 0.43 0.00 0.00 52.55 52.77 1g5w s ASP 12 Cb 0.09 -0.01 0.04 0.00 -0.30 0.00 0.00 42.92 42.75 1g5w s ASP 12 CO 0.43 -0.08 -0.12 -0.94 -0.17 0.00 0.00 175.17 174.29 1g5w s SER 13 N 0.63 3.70 0.00 -0.34 1.04 -1.26 -2.45 113.70 115.01 1g5w s SER 13 Ca -0.05 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1g5w s SER 13 Cb -0.07 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.67 1g5w s SER 13 CO -0.02 -0.14 0.00 0.29 0.98 0.00 0.00 173.24 174.36 1g5w n LYS 14 N 4.59 0.00 -1.43 4.02 5.02 -1.25 -4.71 118.16 124.40 1g5w n LYS 14 Ca -0.16 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.80 1g5w n LYS 14 Cb 0.46 -0.08 0.06 0.00 -0.02 0.00 0.00 35.03 35.44 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 -0.11 7.44 0.03 4.39 3.02 -1.26 -4.82 115.26 123.95 1g5w n ASN 15 Ca 0.00 -3.67 -0.19 0.00 -0.03 0.00 0.00 54.58 50.69 1g5w n ASN 15 Cb 0.00 -1.03 -0.12 0.00 -0.61 0.00 0.00 39.78 38.02 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 2.24 0.72 -0.51 3.10 3.57 -1.93 -1.88 116.94 122.25 1g5w h PHE 16 Ca 0.55 -0.42 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1g5w h PHE 16 Cb 0.63 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1g5w h PHE 16 CO 1.30 1.26 0.11 -0.44 -2.23 0.00 0.00 178.31 178.31 1g5w h ASP 17 N -0.02 0.72 -0.26 0.41 5.19 -1.90 -1.96 116.42 118.60 1g5w h ASP 17 Ca -0.11 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1g5w h ASP 17 Cb 1.51 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 1g5w h ASP 17 CO 0.15 0.72 0.15 -0.78 -3.12 0.00 0.00 179.24 176.37 1g5w h ASP 18 N 0.75 0.31 -0.09 6.45 3.58 -1.94 -2.13 116.42 123.34 1g5w h ASP 18 Ca 0.16 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.60 1g5w h ASP 18 Cb 0.29 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 1g5w h ASP 18 CO -0.00 0.27 -0.21 0.22 -2.88 0.00 0.00 179.24 176.64 1g5w h TYR 19 N 0.32 -0.55 -0.35 0.28 3.20 -1.28 -2.10 116.97 116.49 1g5w h TYR 19 Ca 0.09 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1g5w h TYR 19 Cb 0.02 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1g5w h TYR 19 CO -0.05 -0.29 0.02 0.52 -1.64 0.00 0.00 178.16 176.72 1g5w h MET 20 N -0.29 0.54 -0.07 1.82 2.86 -1.42 -2.01 114.93 116.37 1g5w h MET 20 Ca 0.09 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1g5w h MET 20 Cb 0.41 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1g5w h MET 20 CO -0.26 0.55 -0.06 -0.22 1.06 0.00 0.00 176.91 177.99 1g5w h LYS 21 N 0.52 -0.07 -0.65 1.72 3.11 -1.33 -2.56 116.57 117.31 1g5w h LYS 21 Ca 0.11 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.96 1g5w h LYS 21 Cb 0.31 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.52 1g5w h LYS 21 CO 0.01 -0.05 0.42 1.03 -2.81 0.00 0.00 179.45 178.05 1g5w h SER 22 N -0.07 0.76 -0.25 4.20 0.87 -1.27 -3.04 113.55 114.75 1g5w h SER 22 Ca 0.05 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1g5w h SER 22 Cb 0.14 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1g5w h SER 22 CO -0.11 0.57 0.00 -0.07 -0.53 0.00 0.00 176.83 176.68 1g5w h LEU 23 N 0.89 0.52 0.00 2.23 3.38 -1.35 -3.48 115.31 117.50 1g5w h LEU 23 Ca 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1g5w h LEU 23 Cb -0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1g5w h LEU 23 CO -0.05 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1g5w n GLY 24 N -0.85 0.75 2.74 0.83 0.00 -0.99 -5.11 105.19 102.56 1g5w n GLY 24 Ca 0.02 -0.68 -0.20 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 -0.70 0.08 0.55 1.61 1.01 -1.07 -5.03 120.40 116.85 1g5w s VAL 25 Ca 0.00 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 1g5w s VAL 25 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1g5w s VAL 25 CO 0.00 0.19 1.28 -0.83 0.00 0.00 0.00 175.10 175.74 1g5w s GLY 26 N 1.80 2.84 0.25 4.51 0.00 -1.26 -4.66 107.32 110.80 1g5w s GLY 26 Ca 0.01 1.18 -0.03 0.00 0.00 0.00 0.00 44.72 45.88 1g5w s GLY 26 CO -0.03 1.65 1.82 0.27 0.00 0.00 0.00 173.10 176.81 1g5w h PHE 27 N 1.35 0.96 -0.47 1.90 -0.00 -2.00 -1.47 116.94 117.20 1g5w h PHE 27 Ca -0.51 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.48 1g5w h PHE 27 Cb 1.29 -0.30 -0.02 0.00 -0.00 0.00 0.00 35.95 36.93 1g5w h PHE 27 CO 0.47 0.40 0.22 0.00 -0.00 0.00 0.00 178.31 179.40 1g5w h ALA 28 N 1.47 0.60 -0.39 12.09 0.00 -2.01 -2.37 119.26 128.66 1g5w h ALA 28 Ca 0.42 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1g5w h ALA 28 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1g5w h ALA 28 CO -0.24 0.18 -0.30 1.15 0.00 0.00 0.00 179.25 180.03 1g5w h THR 29 N 0.61 1.28 -0.58 0.00 2.02 -1.91 -3.10 112.91 111.24 1g5w h THR 29 Ca 0.16 -1.46 0.06 0.00 0.77 0.00 0.00 66.41 65.94 1g5w h THR 29 Cb 0.14 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 1g5w h THR 29 CO -0.02 0.49 0.29 -0.09 0.37 0.00 0.00 175.52 176.56 1g5w h ARG 30 N 0.72 0.54 -0.28 6.66 2.43 -1.21 -1.38 114.38 121.85 1g5w h ARG 30 Ca 0.08 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1g5w h ARG 30 Cb 0.85 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1g5w h ARG 30 CO 0.08 0.35 -0.47 1.96 -1.51 0.00 0.00 179.97 180.37 1g5w h GLN 31 N 0.55 0.75 -0.47 0.20 1.08 -1.53 -2.99 115.11 112.70 1g5w h GLN 31 Ca 0.26 -0.43 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1g5w h GLN 31 Cb 0.19 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1g5w h GLN 31 CO -0.19 1.06 0.18 0.28 -0.95 0.00 0.00 178.83 179.21 1g5w h VAL 32 N 0.59 1.21 -0.08 -0.54 2.07 -1.47 -3.02 116.25 115.01 1g5w h VAL 32 Ca 0.03 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1g5w h VAL 32 Cb 1.04 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1g5w h VAL 32 CO 0.10 0.25 -0.15 0.00 0.02 0.00 0.00 177.57 177.79 1g5w h ALA 33 N 1.02 1.60 -0.36 1.67 0.00 -1.32 -2.73 119.26 119.14 1g5w h ALA 33 Ca 0.15 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1g5w h ALA 33 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1g5w h ALA 33 CO -0.01 0.29 -0.20 0.66 0.00 0.00 0.00 179.25 179.99 1g5w h SER 34 N 0.12 0.80 0.78 0.00 4.64 -1.55 -3.34 113.55 115.00 1g5w h SER 34 Ca 0.02 -0.42 -0.09 0.00 -0.47 0.00 0.00 61.79 60.84 1g5w h SER 34 Cb 0.35 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1g5w h SER 34 CO 0.02 1.04 -0.41 0.00 -0.87 0.00 0.00 176.83 176.62 1g5w h MET 35 N 0.57 0.00 -7.38 4.77 -0.00 -1.48 -3.46 114.93 107.95 1g5w h MET 35 Ca 0.08 0.00 -0.50 0.00 -0.00 0.00 0.00 59.70 59.28 1g5w h MET 35 Cb 0.75 0.00 0.11 0.00 -0.00 0.00 0.00 31.60 32.46 1g5w h MET 35 CO 0.06 0.41 0.35 -0.08 -0.00 0.00 0.00 176.91 177.64 1g5w s THR 36 N -3.65 3.41 -0.49 -0.10 -1.32 -1.04 -5.06 115.64 107.40 1g5w s THR 36 Ca -0.00 0.46 -0.16 0.00 -1.21 0.00 0.00 61.69 60.78 1g5w s THR 36 Cb 0.11 -3.19 0.09 0.00 -1.51 0.00 0.00 72.50 68.00 1g5w s THR 36 CO 0.70 -0.60 0.43 -0.54 -2.21 0.00 0.00 174.62 172.40 1g5w s LYS 37 N -5.11 2.98 -1.00 7.08 1.02 -1.26 -5.01 119.74 118.45 1g5w s LYS 37 Ca 0.60 -1.47 -0.23 0.00 0.02 0.00 0.00 55.97 54.89 1g5w s LYS 37 Cb -0.14 -4.19 0.04 0.00 -0.52 0.00 0.00 37.83 33.02 1g5w s LYS 37 CO 0.55 -1.13 1.50 -1.25 -0.92 0.00 0.00 175.35 174.10 1g5w s PRO 38 N 1.63 3.47 -0.43 -1.68 0.04 -1.26 -4.56 135.00 132.21 1g5w s PRO 38 Ca 0.04 -1.00 -0.29 0.00 0.04 0.00 0.00 61.00 59.79 1g5w s PRO 38 Cb -0.26 -5.29 0.03 0.00 0.04 0.00 0.00 34.50 29.01 1g5w s PRO 38 CO 0.05 -2.33 1.11 0.99 0.04 0.00 0.00 177.00 176.87 1g5w s THR 39 N 5.55 4.30 -0.39 1.26 2.01 -0.90 -4.50 115.64 122.97 1g5w s THR 39 Ca 0.48 1.35 -0.24 0.00 0.31 0.00 0.00 61.69 63.59 1g5w s THR 39 Cb -0.01 -4.55 0.01 0.00 0.01 0.00 0.00 72.50 67.97 1g5w s THR 39 CO -0.08 -0.86 0.84 -0.89 -0.69 0.00 0.00 174.62 172.93 1g5w s THR 40 N 4.22 4.65 -0.41 -0.82 2.01 -0.64 -1.47 115.64 123.19 1g5w s THR 40 Ca 0.47 0.88 -0.06 0.00 0.31 0.00 0.00 61.69 63.29 1g5w s THR 40 Cb -0.09 -4.28 0.09 0.00 0.01 0.00 0.00 72.50 68.23 1g5w s THR 40 CO 0.27 -0.55 0.22 -0.63 -0.69 0.00 0.00 174.62 173.24 1g5w s ILE 41 N 3.30 3.80 -0.21 1.82 1.01 -0.54 -1.60 121.20 128.78 1g5w s ILE 41 Ca 0.34 -1.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.17 1g5w s ILE 41 Cb -0.12 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1g5w s ILE 41 CO 0.19 -0.54 0.52 -0.63 0.00 0.00 0.00 174.94 174.49 1g5w s ILE 42 N 1.31 5.09 -0.14 2.92 1.09 -0.99 -2.02 121.20 128.47 1g5w s ILE 42 Ca 0.04 0.95 -0.06 0.00 -1.10 0.00 0.00 60.65 60.48 1g5w s ILE 42 Cb -0.23 -3.84 0.06 0.00 -1.06 0.00 0.00 42.46 37.39 1g5w s ILE 42 CO -0.00 0.16 0.30 -0.70 -0.10 0.00 0.00 174.94 174.59 1g5w s GLU 43 N 1.77 0.23 0.51 2.79 2.12 -0.97 -2.09 118.70 123.06 1g5w s GLU 43 Ca 0.24 0.71 -0.17 0.00 0.36 0.00 0.00 54.97 56.10 1g5w s GLU 43 Cb -0.15 -0.02 -0.08 0.00 0.26 0.00 0.00 34.13 34.13 1g5w s GLU 43 CO 0.09 -0.21 0.99 -1.59 -0.54 0.00 0.00 175.26 174.00 1g5w s LYS 44 N 1.82 3.93 -0.41 4.30 0.00 -1.26 -1.29 119.74 126.83 1g5w s LYS 44 Ca -0.05 1.02 0.06 0.00 0.00 0.00 0.00 55.97 56.99 1g5w s LYS 44 Cb -0.11 -2.13 0.21 0.00 0.00 0.00 0.00 37.83 35.80 1g5w s LYS 44 CO -0.10 -0.29 0.46 0.09 0.00 0.00 0.00 175.35 175.51 1g5w n ASN 45 N -1.46 -0.45 0.00 0.03 3.02 -0.33 -4.94 115.26 111.13 1g5w n ASN 45 Ca 0.07 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.05 1g5w n ASN 45 Cb 0.54 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1g5w n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g5w n GLY 46 N 2.18 1.68 0.18 7.41 0.00 -1.26 -2.59 105.19 112.79 1g5w n GLY 46 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -3.48 1.61 5.19 -1.98 -3.47 116.42 114.29 1g5w h ASP 47 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 1g5w h ASP 47 Cb 0.00 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.41 1g5w h ASP 47 CO 0.00 0.11 0.54 -0.63 -3.12 0.00 0.00 179.24 176.14 1g5w s ILE 48 N -3.19 4.64 -0.35 0.35 -1.09 -1.07 -4.58 121.20 115.91 1g5w s ILE 48 Ca 0.04 1.15 -0.24 0.00 -2.23 0.00 0.00 60.65 59.38 1g5w s ILE 48 Cb 0.07 -4.28 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1g5w s ILE 48 CO 0.72 -0.47 0.80 -0.76 -1.23 0.00 0.00 174.94 174.00 1g5w s LEU 49 N 3.33 4.10 -0.43 2.97 1.43 -0.46 -1.19 118.68 128.43 1g5w s LEU 49 Ca 0.36 0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 1g5w s LEU 49 Cb -0.13 -3.07 0.09 0.00 0.03 0.00 0.00 46.19 43.12 1g5w s LEU 49 CO 0.17 -0.73 0.27 -0.89 0.23 0.00 0.00 176.35 175.41 1g5w s THR 50 N 3.12 4.06 -0.41 5.49 2.01 -0.41 -1.48 115.64 128.02 1g5w s THR 50 Ca 0.32 -1.61 -0.11 0.00 0.31 0.00 0.00 61.69 60.60 1g5w s THR 50 Cb -0.13 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.85 1g5w s THR 50 CO 0.16 -0.61 0.27 -0.22 -0.69 0.00 0.00 174.62 173.53 1g5w s LEU 51 N 1.36 5.07 -0.33 4.42 0.20 -0.66 -2.29 118.68 126.46 1g5w s LEU 51 Ca 0.04 -1.26 -0.11 0.00 0.69 0.00 0.00 54.13 53.50 1g5w s LEU 51 Cb -0.24 -2.04 -0.00 0.00 -0.43 0.00 0.00 46.19 43.47 1g5w s LEU 51 CO 0.00 -0.50 0.18 -0.54 -0.29 0.00 0.00 176.35 175.20 1g5w s LYS 52 N 1.52 3.30 -0.59 1.98 1.02 -0.86 -2.12 119.74 124.00 1g5w s LYS 52 Ca 0.03 -0.75 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 1g5w s LYS 52 Cb -0.22 -3.64 0.15 0.00 -0.52 0.00 0.00 37.83 33.60 1g5w s LYS 52 CO 0.05 -0.46 0.54 0.99 -0.92 0.00 0.00 175.35 175.54 1g5w s THR 53 N 1.63 5.19 -0.94 2.17 2.01 -0.73 -1.46 115.64 123.51 1g5w s THR 53 Ca 0.05 -1.71 -0.21 0.00 0.31 0.00 0.00 61.69 60.12 1g5w s THR 53 Cb -0.17 -4.31 0.09 0.00 0.01 0.00 0.00 72.50 68.11 1g5w s THR 53 CO 0.07 -0.89 1.25 -1.00 -0.69 0.00 0.00 174.62 173.36 1g5w s HIS 54 N 1.30 2.81 0.15 4.92 3.76 -0.54 -2.47 115.29 125.22 1g5w s HIS 54 Ca 0.06 -1.04 0.03 0.00 -0.15 0.00 0.00 55.06 53.96 1g5w s HIS 54 Cb -0.26 -4.47 -0.04 0.00 1.11 0.00 0.00 32.58 28.93 1g5w s HIS 54 CO 0.00 -1.71 0.27 0.45 -0.85 0.00 0.00 174.74 172.90 1g5w s SER 55 N 4.19 6.25 0.64 1.40 0.15 -1.25 -2.13 113.70 122.94 1g5w s SER 55 Ca 0.37 0.13 0.41 0.00 0.70 0.00 0.00 55.95 57.57 1g5w s SER 55 Cb -0.04 -1.86 2.24 0.00 -1.71 0.00 0.00 66.02 64.65 1g5w s SER 55 CO -0.07 0.05 2.26 0.71 1.20 0.00 0.00 173.24 177.39 1g5w h THR 56 N 1.66 0.00 -3.20 6.45 1.35 -1.94 -3.13 112.91 114.10 1g5w h THR 56 Ca -0.48 0.00 -0.79 0.00 -0.55 0.00 0.00 66.41 64.58 1g5w h THR 56 Cb 1.20 0.91 -0.29 0.00 -1.73 0.00 0.00 68.15 68.24 1g5w h THR 56 CO 0.68 0.00 0.54 0.33 -0.25 0.00 0.00 175.52 176.81 1g5w n PHE 57 N -2.98 3.76 -1.48 4.73 7.35 -1.26 -4.99 117.46 122.59 1g5w n PHE 57 Ca -0.03 -3.32 0.00 0.00 -0.76 0.00 0.00 57.45 53.34 1g5w n PHE 57 Cb 0.10 -1.42 0.00 0.00 0.35 0.00 0.00 39.48 38.51 1g5w n PHE 57 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1g5w n LYS 58 N 1.95 -4.16 -2.70 -4.13 5.02 -1.18 -4.84 118.16 108.12 1g5w n LYS 58 Ca 0.25 3.03 -0.43 0.00 -2.02 0.00 0.00 58.31 59.14 1g5w n LYS 58 Cb 0.36 -3.35 -0.03 0.00 -0.02 0.00 0.00 35.03 31.99 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 -2.18 6.70 -0.22 4.39 2.20 -1.26 -3.91 114.94 120.66 1g5w s ASN 59 Ca 0.00 0.59 -0.19 0.00 -0.94 0.00 0.00 52.86 52.31 1g5w s ASN 59 Cb 0.00 -2.51 -0.03 0.00 -2.00 0.00 0.00 41.25 36.72 1g5w s ASN 59 CO 0.00 -1.02 0.57 0.42 -2.94 0.00 0.00 177.10 174.13 1g5w s THR 60 N 3.87 5.05 -0.29 0.54 -4.23 -1.03 -4.87 115.64 114.69 1g5w s THR 60 Ca 0.43 1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 61.91 1g5w s THR 60 Cb -0.10 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1g5w s THR 60 CO 0.23 0.12 0.07 -0.70 -0.54 0.00 0.00 174.62 173.80 1g5w s GLU 61 N 1.97 3.19 -0.15 3.99 -6.30 -1.26 -1.77 118.70 118.37 1g5w s GLU 61 Ca 0.25 -0.79 -0.02 0.00 -2.50 0.00 0.00 54.97 51.91 1g5w s GLU 61 Cb -0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 34.13 30.60 1g5w s GLU 61 CO 0.10 -0.39 -0.08 0.96 0.02 0.00 0.00 175.26 175.86 1g5w s ILE 62 N 1.52 3.53 -0.24 -3.70 -4.36 -0.90 -5.00 121.20 112.04 1g5w s ILE 62 Ca 0.03 -0.49 0.01 0.00 -0.26 0.00 0.00 60.65 59.95 1g5w s ILE 62 Cb -0.17 -2.52 0.04 0.00 1.25 0.00 0.00 42.46 41.07 1g5w s ILE 62 CO 0.02 0.50 -0.11 -0.55 0.24 0.00 0.00 174.94 175.05 1g5w s SER 63 N 0.39 4.18 -0.06 4.36 0.15 -1.26 -1.66 113.70 119.81 1g5w s SER 63 Ca -0.07 -1.14 -0.06 0.00 0.70 0.00 0.00 55.95 55.38 1g5w s SER 63 Cb -0.15 -1.57 0.02 0.00 -1.71 0.00 0.00 66.02 62.61 1g5w s SER 63 CO 0.04 -0.15 0.17 0.72 1.20 0.00 0.00 173.24 175.23 1g5w s PHE 64 N 1.19 -0.18 -0.33 3.44 -0.71 -0.55 -4.93 117.98 115.91 1g5w s PHE 64 Ca -0.04 0.43 0.16 0.00 -1.04 0.00 0.00 56.93 56.43 1g5w s PHE 64 Cb -0.18 0.06 0.55 0.00 -1.21 0.00 0.00 43.02 42.24 1g5w s PHE 64 CO -0.06 -0.11 1.45 1.63 -1.34 0.00 0.00 175.22 176.79 1g5w n LYS 65 N 2.86 3.20 -2.35 1.99 5.02 -1.26 -1.35 118.16 126.28 1g5w n LYS 65 Ca -0.13 -2.79 -0.02 0.00 -2.02 0.00 0.00 58.31 53.36 1g5w n LYS 65 Cb 0.59 -1.83 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.16 -5.88 -0.15 -0.35 4.32 -1.26 -4.80 117.00 108.72 1g5w n LEU 66 Ca 0.21 1.28 0.00 0.00 -0.02 0.00 0.00 56.01 57.48 1g5w n LEU 66 Cb 0.87 -2.69 0.00 0.00 -1.62 0.00 0.00 43.42 39.98 1g5w n LEU 66 CO 0.17 -2.56 0.00 0.61 -1.22 0.00 0.00 177.39 174.38 1g5w n GLY 67 N 0.77 1.08 2.80 -0.72 0.00 -0.40 -4.95 105.19 103.77 1g5w n GLY 67 Ca -0.11 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.29 0.38 -0.05 1.61 1.01 -1.26 -5.03 120.40 114.77 1g5w s VAL 68 Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1g5w s VAL 68 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1g5w s VAL 68 CO 0.00 0.24 0.63 -0.70 0.00 0.00 0.00 175.10 175.27 1g5w s GLU 69 N 1.67 4.39 -0.06 2.72 2.12 -1.26 -4.16 118.70 124.13 1g5w s GLU 69 Ca 0.00 0.77 -0.02 0.00 0.36 0.00 0.00 54.97 56.08 1g5w s GLU 69 Cb -0.13 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 30.89 1g5w s GLU 69 CO -0.04 0.19 0.13 -0.59 -0.54 0.00 0.00 175.26 174.41 1g5w s PHE 70 N 0.39 -0.13 -0.28 5.30 -0.71 -1.12 -4.90 117.98 116.53 1g5w s PHE 70 Ca 0.34 0.42 -0.29 0.00 -1.04 0.00 0.00 56.93 56.36 1g5w s PHE 70 Cb -0.18 -0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.53 1g5w s PHE 70 CO 0.17 -0.15 1.48 0.16 -1.34 0.00 0.00 175.22 175.54 1g5w s ASP 71 N 1.08 6.45 -0.07 1.98 1.47 -1.26 -1.69 116.67 124.63 1g5w s ASP 71 Ca -0.08 1.34 0.05 0.00 1.18 0.00 0.00 52.55 55.04 1g5w s ASP 71 Cb -0.11 -2.54 -0.01 0.00 -0.34 0.00 0.00 42.92 39.92 1g5w s ASP 71 CO -0.05 -1.24 -0.23 -0.70 0.68 0.00 0.00 175.17 173.63 1g5w s GLU 72 N 4.58 2.68 -0.23 2.11 2.56 -0.69 -4.87 118.70 124.84 1g5w s GLU 72 Ca 0.65 -0.87 -0.19 0.00 0.00 0.00 0.00 54.97 54.56 1g5w s GLU 72 Cb -0.20 -2.24 -0.02 0.00 2.00 0.00 0.00 34.13 33.67 1g5w s GLU 72 CO 0.28 0.36 0.58 0.99 -0.56 0.00 0.00 175.26 176.90 1g5w s THR 73 N -0.10 5.04 0.71 -1.70 2.01 -1.26 -1.57 115.64 118.78 1g5w s THR 73 Ca -0.05 1.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.93 1g5w s THR 73 Cb -0.14 -3.89 0.06 0.00 0.01 0.00 0.00 72.50 68.53 1g5w s THR 73 CO 0.04 0.09 1.02 0.42 -0.69 0.00 0.00 174.62 175.51 1g5w s THR 74 N 2.13 2.32 0.39 -0.82 -4.23 -0.95 -4.89 115.64 109.59 1g5w s THR 74 Ca 0.25 -0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.59 1g5w s THR 74 Cb -0.16 -3.02 0.27 0.00 1.34 0.00 0.00 72.50 70.94 1g5w s THR 74 CO 0.09 -0.02 2.03 0.00 -0.54 0.00 0.00 174.62 176.18 1g5w h ALA 75 N -0.62 1.70 0.00 3.99 0.00 -1.91 -2.12 119.26 120.30 1g5w h ALA 75 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1g5w h ALA 75 Cb 1.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1g5w h ALA 75 CO 0.61 0.26 0.00 -3.47 0.00 0.00 0.00 179.25 176.65 1g5w n ASP 76 N -4.47 0.00 -2.53 0.00 -0.08 -1.26 -4.96 116.55 103.25 1g5w n ASP 76 Ca 0.05 -1.59 -0.00 0.00 -1.51 0.00 0.00 54.79 51.74 1g5w n ASP 76 Cb 0.10 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1g5w n ASP 76 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1g5w n ASP 77 N -0.54 -5.82 -3.73 1.67 8.00 -0.80 -5.08 116.55 110.25 1g5w n ASP 77 Ca 0.02 -0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 1g5w n ASP 77 Cb 0.01 -3.85 -0.15 0.00 -0.02 0.00 0.00 41.12 37.11 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 -3.02 0.08 -0.18 -1.24 0.52 -1.26 -4.91 118.95 108.94 1g5w s ARG 78 Ca 0.01 0.41 -0.29 0.00 -0.52 0.00 0.00 55.73 55.34 1g5w s ARG 78 Cb -0.00 -0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.25 1g5w s ARG 78 CO 0.50 -0.19 1.49 -1.59 0.02 0.00 0.00 175.30 175.52 1g5w s LYS 79 N 1.38 4.02 -0.06 3.54 0.00 -1.26 -2.25 119.74 125.12 1g5w s LYS 79 Ca -0.07 1.73 0.01 0.00 0.00 0.00 0.00 55.97 57.64 1g5w s LYS 79 Cb -0.12 -3.93 0.02 0.00 0.00 0.00 0.00 37.83 33.81 1g5w s LYS 79 CO -0.06 -1.00 -0.05 0.14 0.00 0.00 0.00 175.35 174.38 1g5w s VAL 80 N 4.34 0.62 -0.63 1.79 -7.23 -0.61 -4.74 120.40 113.94 1g5w s VAL 80 Ca 0.65 -0.14 -0.27 0.00 -1.81 0.00 0.00 61.98 60.41 1g5w s VAL 80 Cb -0.25 -0.65 0.02 0.00 0.56 0.00 0.00 36.38 36.06 1g5w s VAL 80 CO 0.24 0.26 1.38 -0.54 -0.31 0.00 0.00 175.10 176.13 1g5w s LYS 81 N 1.11 3.22 -0.74 4.82 -0.14 -0.59 -1.71 119.74 125.72 1g5w s LYS 81 Ca -0.08 0.19 -0.13 0.00 -1.36 0.00 0.00 55.97 54.59 1g5w s LYS 81 Cb -0.14 -4.15 0.19 0.00 -1.68 0.00 0.00 37.83 32.05 1g5w s LYS 81 CO -0.01 -2.06 0.67 -1.12 -0.76 0.00 0.00 175.35 172.07 1g5w s SER 82 N 4.33 6.49 -0.29 2.83 0.01 -0.69 -2.54 113.70 123.85 1g5w s SER 82 Ca 0.46 -2.48 -0.08 0.00 1.31 0.00 0.00 55.95 55.16 1g5w s SER 82 Cb -0.09 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1g5w s SER 82 CO 0.21 -0.63 0.11 -0.51 0.41 0.00 0.00 173.24 172.83 1g5w s ILE 83 N 0.51 4.32 -0.04 1.44 1.10 -0.77 -2.78 121.20 124.97 1g5w s ILE 83 Ca 0.14 -0.43 0.01 0.00 -0.51 0.00 0.00 60.65 59.86 1g5w s ILE 83 Cb -0.16 -3.16 0.02 0.00 0.15 0.00 0.00 42.46 39.31 1g5w s ILE 83 CO -0.06 0.15 -0.05 0.54 -2.11 0.00 0.00 174.94 173.41 1g5w s VAL 84 N 1.58 0.57 0.01 4.00 0.11 -1.26 -1.44 120.40 123.97 1g5w s VAL 84 Ca 0.04 -0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 1g5w s VAL 84 Cb -0.17 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1g5w s VAL 84 CO 0.04 0.22 0.27 0.28 -3.33 0.00 0.00 175.10 172.58 1g5w s THR 85 N 0.68 0.08 -0.25 5.04 -1.32 -0.85 -1.27 115.64 117.75 1g5w s THR 85 Ca -0.09 -0.63 -0.24 0.00 -1.21 0.00 0.00 61.69 59.52 1g5w s THR 85 Cb -0.12 -0.73 -0.01 0.00 -1.51 0.00 0.00 72.50 70.12 1g5w s THR 85 CO 0.00 -0.35 0.80 -0.22 -2.21 0.00 0.00 174.62 172.65 1g5w s LEU 86 N -1.67 4.08 -0.92 9.08 2.96 -1.26 -1.41 118.68 129.53 1g5w s LEU 86 Ca -0.10 0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 54.77 1g5w s LEU 86 Cb -0.04 -3.14 0.23 0.00 0.50 0.00 0.00 46.19 43.75 1g5w s LEU 86 CO 0.00 -0.50 0.85 -0.67 -1.32 0.00 0.00 176.35 174.72 1g5w n ASP 87 N 5.97 4.43 -3.76 3.68 2.03 -0.03 -4.81 116.55 124.05 1g5w n ASP 87 Ca 0.05 -3.15 -0.25 0.00 0.52 0.00 0.00 54.79 51.95 1g5w n ASP 87 Cb 0.48 -1.08 0.04 0.00 -0.72 0.00 0.00 41.12 39.84 1g5w n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g5w n GLY 88 N 2.23 -0.42 0.00 0.27 0.00 -1.26 -2.79 105.19 103.22 1g5w n GLY 88 Ca 0.23 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.66 3.10 3.60 -0.02 0.00 -1.26 -5.06 105.19 103.88 1g5w n GLY 89 Ca -0.11 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 3.75 -0.60 1.61 2.20 -1.12 -4.75 119.74 120.83 1g5w s LYS 90 Ca 0.00 0.54 -0.23 0.00 -0.36 0.00 0.00 55.97 55.92 1g5w s LYS 90 Cb 0.00 -3.86 0.06 0.00 -1.51 0.00 0.00 37.83 32.52 1g5w s LYS 90 CO 0.00 -1.16 0.91 -1.17 -0.36 0.00 0.00 175.35 173.57 1g5w s LEU 91 N 3.92 4.37 -0.40 5.43 0.20 -0.37 -0.85 118.68 130.97 1g5w s LEU 91 Ca 0.42 -0.76 -0.14 0.00 0.69 0.00 0.00 54.13 54.34 1g5w s LEU 91 Cb -0.10 -2.57 0.02 0.00 -0.43 0.00 0.00 46.19 43.11 1g5w s LEU 91 CO 0.25 -1.30 0.28 -0.69 -0.29 0.00 0.00 176.35 174.60 1g5w s VAL 92 N 3.83 5.15 -0.14 1.68 1.01 -0.50 -2.03 120.40 129.41 1g5w s VAL 92 Ca 0.24 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1g5w s VAL 92 Cb -0.16 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1g5w s VAL 92 CO 0.14 -0.28 0.05 -2.28 0.00 0.00 0.00 175.10 172.73 1g5w s HIS 93 N 1.66 3.26 -0.17 5.22 5.04 -1.17 -2.01 115.29 127.13 1g5w s HIS 93 Ca 0.05 0.15 0.01 0.00 -1.54 0.00 0.00 55.06 53.73 1g5w s HIS 93 Cb -0.19 -1.96 0.02 0.00 0.04 0.00 0.00 32.58 30.49 1g5w s HIS 93 CO 0.10 0.32 -0.20 -1.17 -2.34 0.00 0.00 174.74 171.44 1g5w s LEU 94 N -0.21 2.12 -0.30 8.88 2.96 -0.52 -1.09 118.68 130.51 1g5w s LEU 94 Ca 0.07 -0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 53.28 1g5w s LEU 94 Cb -0.12 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.12 1g5w s LEU 94 CO 0.02 0.01 0.07 -1.10 -1.32 0.00 0.00 176.35 174.03 1g5w s GLN 95 N 1.20 2.96 -0.07 1.98 -0.21 -0.79 -1.85 119.66 122.88 1g5w s GLN 95 Ca 0.03 -0.94 0.04 0.00 0.02 0.00 0.00 55.36 54.51 1g5w s GLN 95 Cb -0.13 -3.36 -0.00 0.00 1.00 0.00 0.00 33.01 30.51 1g5w s GLN 95 CO -0.11 -0.49 -0.21 0.21 -2.12 0.00 0.00 175.29 172.57 1g5w s LYS 96 N 1.46 2.40 -0.19 2.91 2.20 -1.05 -1.69 119.74 125.78 1g5w s LYS 96 Ca 0.01 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 1g5w s LYS 96 Cb -0.18 -1.94 0.10 0.00 -1.51 0.00 0.00 37.83 34.30 1g5w s LYS 96 CO 0.02 0.23 0.33 1.67 -0.36 0.00 0.00 175.35 177.24 1g5w s TRP 97 N 0.17 -0.60 0.00 4.03 -2.14 -0.66 -1.55 118.94 118.19 1g5w s TRP 97 Ca -0.10 0.92 0.00 0.00 2.66 0.00 0.00 56.10 59.58 1g5w s TRP 97 Cb -0.15 -0.00 0.00 0.00 -3.10 0.00 0.00 33.47 30.22 1g5w s TRP 97 CO 0.05 -0.54 0.00 -3.47 -2.66 0.00 0.00 176.95 170.33 1g5w n ASP 98 N 5.36 0.00 -2.85 -2.66 -0.08 -1.26 -1.93 116.55 113.13 1g5w n ASP 98 Ca -0.06 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.00 1g5w n ASP 98 Cb 0.50 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.94 1g5w n ASP 98 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1g5w n GLY 99 N 0.00 4.61 2.87 0.27 0.00 -1.26 -5.04 105.19 106.63 1g5w n GLY 99 Ca 0.00 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.60 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 -3.18 0.29 -0.16 1.61 -0.21 -0.81 -5.15 119.66 112.05 1g5w s GLN 100 Ca 0.43 0.44 0.00 0.00 0.02 0.00 0.00 55.36 56.25 1g5w s GLN 100 Cb 0.35 -0.70 0.00 0.00 1.00 0.00 0.00 33.01 33.66 1g5w s GLN 100 CO -0.11 -0.63 -0.16 -1.83 -2.12 0.00 0.00 175.29 170.44 1g5w s GLU 101 N 2.47 3.17 -0.18 2.91 -1.05 -1.26 -1.66 118.70 123.10 1g5w s GLU 101 Ca 0.10 -0.77 -0.01 0.00 -0.15 0.00 0.00 54.97 54.15 1g5w s GLU 101 Cb -0.15 -2.62 0.00 0.00 -0.44 0.00 0.00 34.13 30.92 1g5w s GLU 101 CO -0.14 -0.03 -0.13 -0.08 0.95 0.00 0.00 175.26 175.83 1g5w s THR 102 N 0.91 2.78 -0.19 1.83 -1.32 -0.68 -4.54 115.64 114.44 1g5w s THR 102 Ca -0.04 -0.71 -0.17 0.00 -1.21 0.00 0.00 61.69 59.56 1g5w s THR 102 Cb -0.15 -2.21 -0.04 0.00 -1.51 0.00 0.00 72.50 68.59 1g5w s THR 102 CO -0.02 0.49 0.44 0.42 -2.21 0.00 0.00 174.62 173.75 1g5w s THR 103 N 1.11 5.17 -0.93 5.08 -4.23 -1.07 -1.88 115.64 118.88 1g5w s THR 103 Ca 0.00 0.82 -0.13 0.00 -1.18 0.00 0.00 61.69 61.20 1g5w s THR 103 Cb -0.14 -3.77 0.23 0.00 1.34 0.00 0.00 72.50 70.15 1g5w s THR 103 CO -0.04 0.24 0.92 -0.76 -0.54 0.00 0.00 174.62 174.44 1g5w s LEU 104 N 1.28 6.49 -0.45 4.79 1.02 -0.25 -2.57 118.68 128.99 1g5w s LEU 104 Ca 0.22 -2.94 -0.19 0.00 0.02 0.00 0.00 54.13 51.23 1g5w s LEU 104 Cb -0.15 -2.23 0.03 0.00 0.02 0.00 0.00 46.19 43.87 1g5w s LEU 104 CO 0.09 -0.52 0.57 -0.69 0.02 0.00 0.00 176.35 175.82 1g5w s VAL 105 N -0.09 4.93 -0.22 -1.59 1.01 -0.88 -3.02 120.40 120.53 1g5w s VAL 105 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1g5w s VAL 105 Cb -0.09 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1g5w s VAL 105 CO -0.08 -0.61 0.02 -0.13 0.00 0.00 0.00 175.10 174.29 1g5w s ARG 106 N 2.53 3.58 -0.03 2.72 0.52 -0.86 -1.35 118.95 126.06 1g5w s ARG 106 Ca 0.17 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1g5w s ARG 106 Cb -0.17 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.16 1g5w s ARG 106 CO 0.15 -0.11 0.06 -1.83 0.02 0.00 0.00 175.30 173.60 1g5w s GLU 107 N 1.32 0.05 -0.24 3.54 1.03 -1.00 -1.23 118.70 122.17 1g5w s GLU 107 Ca 0.04 0.12 -0.28 0.00 0.03 0.00 0.00 54.97 54.89 1g5w s GLU 107 Cb -0.15 -0.03 0.01 0.00 -0.80 0.00 0.00 34.13 33.16 1g5w s GLU 107 CO 0.01 -0.05 0.99 -0.51 -1.33 0.00 0.00 175.26 174.38 1g5w s LEU 108 N 0.30 4.08 -0.23 1.83 2.01 -1.26 -1.74 118.68 123.67 1g5w s LEU 108 Ca -0.02 1.26 0.01 0.00 0.01 0.00 0.00 54.13 55.39 1g5w s LEU 108 Cb -0.03 -3.46 0.06 0.00 0.01 0.00 0.00 46.19 42.77 1g5w s LEU 108 CO -0.01 -0.66 -0.08 -0.63 1.01 0.00 0.00 176.35 175.99 1g5w s ILE 109 N 3.16 1.71 -1.24 -0.59 1.01 -0.79 -4.82 121.20 119.64 1g5w s ILE 109 Ca 0.42 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1g5w s ILE 109 Cb -0.15 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1g5w s ILE 109 CO 0.07 -0.03 1.00 0.47 0.00 0.00 0.00 174.94 176.45 1g5w n ASP 110 N 4.61 -2.59 -2.20 3.58 8.00 -1.26 -2.69 116.55 124.00 1g5w n ASP 110 Ca -0.13 -0.63 -0.21 0.00 0.71 0.00 0.00 54.79 54.53 1g5w n ASP 110 Cb 0.44 -4.99 -0.02 0.00 -0.02 0.00 0.00 41.12 36.52 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 -1.30 -0.01 2.85 0.44 0.00 -1.26 -5.03 105.19 100.88 1g5w n GLY 111 Ca -0.25 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.78 0.67 -0.36 1.61 1.02 -1.10 -4.50 119.74 112.29 1g5w s LYS 112 Ca 0.00 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 55.69 1g5w s LYS 112 Cb 0.00 -0.80 0.01 0.00 -0.52 0.00 0.00 37.83 36.52 1g5w s LYS 112 CO 0.00 -0.15 1.36 -1.17 -0.92 0.00 0.00 175.35 174.48 1g5w s LEU 113 N 1.19 3.71 -0.47 3.17 2.96 -0.67 -1.89 118.68 126.69 1g5w s LEU 113 Ca -0.07 0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 54.68 1g5w s LEU 113 Cb -0.14 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.09 1g5w s LEU 113 CO -0.02 -1.28 0.39 -0.63 -1.32 0.00 0.00 176.35 173.50 1g5w s ILE 114 N 4.97 5.17 -0.54 6.68 -1.09 -0.71 -1.86 121.20 133.81 1g5w s ILE 114 Ca 0.59 -1.11 -0.17 0.00 -2.23 0.00 0.00 60.65 57.73 1g5w s ILE 114 Cb -0.15 -4.10 0.11 0.00 -1.58 0.00 0.00 42.46 36.74 1g5w s ILE 114 CO 0.29 -0.59 0.56 -0.22 -1.23 0.00 0.00 174.94 173.75 1g5w s LEU 115 N 1.63 5.77 -0.43 2.97 2.96 -0.60 -2.38 118.68 128.59 1g5w s LEU 115 Ca 0.04 -1.55 -0.19 0.00 -0.22 0.00 0.00 54.13 52.21 1g5w s LEU 115 Cb -0.24 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.22 1g5w s LEU 115 CO 0.06 -0.91 0.56 -0.89 -1.32 0.00 0.00 176.35 173.85 1g5w s THR 116 N 2.02 4.93 -0.76 3.68 2.01 -0.46 -1.68 115.64 125.37 1g5w s THR 116 Ca 0.07 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 1g5w s THR 116 Cb -0.27 -4.14 0.20 0.00 0.01 0.00 0.00 72.50 68.30 1g5w s THR 116 CO 0.05 -0.53 0.66 -0.76 -0.69 0.00 0.00 174.62 173.36 1g5w s LEU 117 N 2.54 6.29 -0.30 4.42 1.43 -0.67 -2.08 118.68 130.30 1g5w s LEU 117 Ca 0.18 -2.73 -0.12 0.00 -1.03 0.00 0.00 54.13 50.43 1g5w s LEU 117 Cb -0.15 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1g5w s LEU 117 CO 0.17 -0.51 0.21 -0.89 0.23 0.00 0.00 176.35 175.55 1g5w s THR 118 N 0.11 5.29 0.00 5.49 2.01 -1.06 -2.21 115.64 125.27 1g5w s THR 118 Ca 0.17 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1g5w s THR 118 Cb -0.14 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1g5w s THR 118 CO -0.07 0.15 0.00 1.57 -0.69 0.00 0.00 174.62 175.58 1g5w n HIS 119 N 5.08 0.00 -3.95 4.92 -0.00 -1.26 -2.61 115.22 117.41 1g5w n HIS 119 Ca -0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.28 1g5w n HIS 119 Cb 0.51 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.36 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 0.00 2.40 -1.40 1.57 0.00 -1.26 -4.76 107.32 103.87 1g5w s GLY 120 Ca 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 44.72 41.47 1g5w s GLY 120 CO 0.00 1.01 0.45 2.41 0.00 0.00 0.00 173.10 176.97 1g5w n THR 121 N 3.25 -1.37 -2.92 0.90 -1.04 -1.26 -4.89 114.28 106.94 1g5w n THR 121 Ca 0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.04 1g5w n THR 121 Cb 0.33 -2.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 1g5w n THR 121 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g5w s ALA 122 N -3.00 -2.46 -0.32 2.41 0.00 -1.26 -5.01 121.76 112.12 1g5w s ALA 122 Ca 0.29 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 1g5w s ALA 122 Cb -0.14 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1g5w s ALA 122 CO 0.35 -2.26 0.57 0.54 0.00 0.00 0.00 175.76 174.96 1g5w s VAL 123 N 1.30 4.98 -0.49 0.00 0.11 -1.26 -4.08 120.40 120.95 1g5w s VAL 123 Ca 0.24 0.65 -0.14 0.00 -2.93 0.00 0.00 61.98 59.80 1g5w s VAL 123 Cb -0.01 -3.97 0.10 0.00 -1.53 0.00 0.00 36.38 30.98 1g5w s VAL 123 CO -0.07 -0.15 0.41 0.00 -3.33 0.00 0.00 175.10 171.97 1g5w s THR 125 N 1.56 4.66 -0.21 0.00 2.01 -1.26 -1.68 115.64 120.72 1g5w s THR 125 Ca 0.04 0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.65 1g5w s THR 125 Cb -0.27 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 67.96 1g5w s THR 125 CO 0.04 -0.62 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.13 1g5w s ARG 126 N 3.27 3.20 0.06 4.92 0.52 -0.68 -3.92 118.95 126.32 1g5w s ARG 126 Ca 0.31 -0.73 -0.25 0.00 -0.52 0.00 0.00 55.73 54.54 1g5w s ARG 126 Cb -0.12 -2.90 -0.06 0.00 0.52 0.00 0.00 34.95 32.39 1g5w s ARG 126 CO 0.21 -0.23 0.78 0.99 0.02 0.00 0.00 175.30 177.06 1g5w s THR 127 N 1.41 4.69 -0.07 0.02 2.01 -1.03 -1.56 115.64 121.11 1g5w s THR 127 Ca 0.05 1.66 0.02 0.00 0.31 0.00 0.00 61.69 63.72 1g5w s THR 127 Cb -0.14 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.26 1g5w s THR 127 CO -0.06 0.37 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.84 1g5w s TYR 128 N -0.13 1.30 0.19 4.92 1.51 -0.78 -1.57 117.35 122.79 1g5w s TYR 128 Ca 0.39 -0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 55.90 1g5w s TYR 128 Cb -0.21 -1.00 -0.06 0.00 -0.11 0.00 0.00 41.96 40.58 1g5w s TYR 128 CO 0.24 -0.29 0.45 -2.00 -1.11 0.00 0.00 175.55 172.83 1g5w s GLU 129 N 0.87 3.67 -0.14 -0.62 2.12 -1.06 -1.67 118.70 121.88 1g5w s GLU 129 Ca -0.11 0.02 -0.27 0.00 0.36 0.00 0.00 54.97 54.98 1g5w s GLU 129 Cb -0.15 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 1g5w s GLU 129 CO 0.01 0.39 0.88 0.21 -0.54 0.00 0.00 175.26 176.22 1g5w s LYS 130 N -2.84 4.35 -0.77 4.30 2.20 -1.26 -2.18 119.74 123.54 1g5w s LYS 130 Ca 0.43 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 57.16 1g5w s LYS 130 Cb -0.12 -3.55 0.34 0.00 -1.51 0.00 0.00 37.83 33.00 1g5w s LYS 130 CO 0.24 -0.29 2.09 -1.91 -0.36 0.00 0.00 175.35 175.12 1g5w n GLU 131 N 5.03 2.69 0.00 4.03 4.07 -0.04 -4.95 120.64 131.47 1g5w n GLU 131 Ca 0.06 -3.35 0.00 0.00 -0.06 0.00 0.00 57.16 53.81 1g5w n GLU 131 Cb 0.49 -2.25 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 1g5w n GLU 131 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07