#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 0.69 -0.11 4.52 1.82 -2.02 -2.03 116.42 119.30 1g5w h ASP 2 Ca 0.00 -0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.54 1g5w h ASP 2 Cb 0.00 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 1g5w h ASP 2 CO 0.00 0.61 0.00 0.00 -1.61 0.00 0.00 179.24 178.25 1g5w h ALA 3 N 1.49 1.64 0.00 -0.78 0.00 -2.04 -3.07 119.26 116.50 1g5w h ALA 3 Ca 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1g5w h ALA 3 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1g5w h ALA 3 CO -0.02 0.27 -0.29 0.74 0.00 0.00 0.00 179.25 179.95 1g5w h PHE 4 N 0.28 0.00 -2.92 0.00 -1.00 -1.81 -3.46 116.94 108.05 1g5w h PHE 4 Ca 0.07 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.28 1g5w h PHE 4 Cb 0.19 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.72 1g5w h PHE 4 CO 0.00 0.29 1.02 -0.51 -1.61 0.00 0.00 178.31 177.51 1g5w s LEU 5 N -7.69 3.99 0.00 1.54 1.43 -1.00 -4.68 118.68 112.26 1g5w s LEU 5 Ca -0.02 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1g5w s LEU 5 Cb 0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1g5w s LEU 5 CO 0.68 -1.07 0.00 0.61 0.23 0.00 0.00 176.35 176.80 1g5w n GLY 6 N 4.28 -0.06 3.79 -3.19 0.00 -0.90 -4.99 105.19 104.12 1g5w n GLY 6 Ca 0.16 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.98 5.19 -0.16 2.61 2.01 -0.95 -1.71 115.64 120.65 1g5w s THR 7 Ca 0.00 0.71 -0.02 0.00 0.31 0.00 0.00 61.69 62.68 1g5w s THR 7 Cb 0.00 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.89 1g5w s THR 7 CO 0.00 0.49 0.02 0.26 -0.69 0.00 0.00 174.62 174.70 1g5w s TRP 8 N -0.34 0.94 -0.02 4.92 0.52 -0.77 -1.16 118.94 123.02 1g5w s TRP 8 Ca 0.21 -0.66 -0.05 0.00 0.02 0.00 0.00 56.10 55.62 1g5w s TRP 8 Cb -0.15 -0.97 -0.04 0.00 -1.15 0.00 0.00 33.47 31.16 1g5w s TRP 8 CO 0.09 -0.53 0.22 0.15 0.02 0.00 0.00 176.95 176.90 1g5w s LYS 9 N 1.89 3.51 0.19 4.98 1.02 -1.12 -1.16 119.74 129.05 1g5w s LYS 9 Ca 0.01 -0.16 -0.30 0.00 0.02 0.00 0.00 55.97 55.53 1g5w s LYS 9 Cb -0.16 -3.11 -0.09 0.00 -0.52 0.00 0.00 37.83 33.96 1g5w s LYS 9 CO -0.07 0.68 1.35 -1.17 -0.92 0.00 0.00 175.35 175.22 1g5w s LEU 10 N -1.68 4.40 -0.12 3.17 2.96 -1.26 -2.98 118.68 123.17 1g5w s LEU 10 Ca 0.25 2.44 -0.02 0.00 -0.22 0.00 0.00 54.13 56.58 1g5w s LEU 10 Cb -0.13 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.88 1g5w s LEU 10 CO 0.15 -0.58 -0.13 0.52 -1.32 0.00 0.00 176.35 174.99 1g5w n VAL 11 N 2.84 0.70 -3.76 1.68 0.31 -0.51 -4.92 118.33 114.66 1g5w n VAL 11 Ca 0.07 -0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 1g5w n VAL 11 Cb 0.42 -1.17 -0.14 0.00 -0.91 0.00 0.00 33.84 32.04 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 -5.50 -0.13 -0.48 4.52 2.15 -0.98 -5.01 116.67 111.25 1g5w s ASP 12 Ca -0.17 0.31 -0.03 0.00 0.43 0.00 0.00 52.55 53.09 1g5w s ASP 12 Cb 0.05 0.22 0.13 0.00 -0.30 0.00 0.00 42.92 43.02 1g5w s ASP 12 CO 0.26 -0.13 0.28 -0.94 -0.17 0.00 0.00 175.17 174.47 1g5w s SER 13 N 0.98 5.24 -0.24 -0.34 1.04 -1.26 -2.11 113.70 117.01 1g5w s SER 13 Ca -0.07 -2.31 -0.14 0.00 0.48 0.00 0.00 55.95 53.91 1g5w s SER 13 Cb -0.09 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.15 1g5w s SER 13 CO -0.05 -0.49 0.32 -0.54 0.98 0.00 0.00 173.24 173.47 1g5w s LYS 14 N 0.74 4.09 -1.30 4.02 1.02 -1.00 -4.48 119.74 122.83 1g5w s LYS 14 Ca 0.11 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1g5w s LYS 14 Cb -0.22 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 1g5w s LYS 14 CO -0.04 -0.10 0.00 0.09 -0.92 0.00 0.00 175.35 174.39 1g5w n ASN 15 N 4.72 -4.42 0.05 2.83 3.02 -1.26 -2.18 115.26 118.03 1g5w n ASN 15 Ca -0.10 0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 1g5w n ASN 15 Cb 0.51 -3.24 -0.09 0.00 -0.61 0.00 0.00 39.78 36.36 1g5w n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1g5w h PHE 16 N 0.00 -0.13 -1.11 3.10 3.57 -1.90 -2.86 116.94 117.61 1g5w h PHE 16 Ca -0.28 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.52 1g5w h PHE 16 Cb 0.97 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.65 1g5w h PHE 16 CO 0.36 0.26 0.71 -0.44 -2.23 0.00 0.00 178.31 176.97 1g5w h ASP 17 N -0.55 0.39 0.39 0.41 3.32 -1.94 -1.08 116.42 117.36 1g5w h ASP 17 Ca -0.01 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1g5w h ASP 17 Cb 0.45 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1g5w h ASP 17 CO 0.02 0.02 -0.19 -0.78 -1.72 0.00 0.00 179.24 176.59 1g5w h ASP 18 N 0.31 -0.44 -0.67 6.45 3.58 -1.96 -2.08 116.42 121.61 1g5w h ASP 18 Ca 0.65 -0.12 0.14 0.00 0.42 0.00 0.00 57.03 58.12 1g5w h ASP 18 Cb 1.77 0.11 -0.11 0.00 1.72 0.00 0.00 39.33 42.82 1g5w h ASP 18 CO -0.32 -0.10 -0.00 0.22 -2.88 0.00 0.00 179.24 176.16 1g5w h TYR 19 N -0.83 -0.05 -0.19 0.28 3.20 -1.36 -1.76 116.97 116.27 1g5w h TYR 19 Ca -0.05 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1g5w h TYR 19 Cb 0.54 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1g5w h TYR 19 CO 0.01 -0.19 -0.09 0.52 -1.64 0.00 0.00 178.16 176.77 1g5w h MET 20 N 0.11 0.40 -0.53 1.82 2.86 -1.27 -2.44 114.93 115.88 1g5w h MET 20 Ca 0.36 -0.17 0.07 0.00 -2.06 0.00 0.00 59.70 57.90 1g5w h MET 20 Cb 0.59 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.18 1g5w h MET 20 CO -0.58 0.69 0.19 -0.22 1.06 0.00 0.00 176.91 178.05 1g5w h LYS 21 N 0.10 0.36 -0.83 1.72 3.11 -1.38 -2.57 116.57 117.07 1g5w h LYS 21 Ca 0.04 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1g5w h LYS 21 Cb 0.57 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.67 1g5w h LYS 21 CO 0.03 0.24 0.52 0.77 -2.81 0.00 0.00 179.45 178.20 1g5w h SER 22 N 0.37 0.98 -0.72 4.20 0.02 -1.32 -3.02 113.55 114.07 1g5w h SER 22 Ca 0.26 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1g5w h SER 22 Cb 0.28 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1g5w h SER 22 CO -0.26 0.74 0.30 -0.07 -1.14 0.00 0.00 176.83 176.40 1g5w h LEU 23 N 1.14 0.98 0.00 5.07 3.38 -1.38 -3.49 115.31 121.02 1g5w h LEU 23 Ca 0.30 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1g5w h LEU 23 Cb -0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1g5w h LEU 23 CO -0.06 0.88 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1g5w n GLY 24 N -0.88 0.73 2.71 0.83 0.00 -0.98 -5.12 105.19 102.47 1g5w n GLY 24 Ca 0.06 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.38 -0.11 0.98 1.61 1.01 -1.14 -5.02 120.40 117.34 1g5w s VAL 25 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.24 1g5w s VAL 25 Cb 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 36.38 36.41 1g5w s VAL 25 CO 0.00 0.16 1.12 -0.83 0.00 0.00 0.00 175.10 175.55 1g5w s GLY 26 N 1.98 1.57 0.22 4.51 0.00 -1.26 -4.51 107.32 109.84 1g5w s GLY 26 Ca 0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 1g5w s GLY 26 CO -0.03 0.12 1.83 0.27 0.00 0.00 0.00 173.10 175.28 1g5w h PHE 27 N -1.80 0.80 -0.57 1.90 -0.00 -2.02 -1.77 116.94 113.48 1g5w h PHE 27 Ca -0.52 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.38 1g5w h PHE 27 Cb 1.33 -0.25 -0.02 0.00 -0.00 0.00 0.00 35.95 37.00 1g5w h PHE 27 CO 0.09 0.41 -0.02 0.00 -0.00 0.00 0.00 178.31 178.80 1g5w h ALA 28 N 1.35 0.77 -0.22 12.09 0.00 -1.99 -1.39 119.26 129.85 1g5w h ALA 28 Ca 0.31 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1g5w h ALA 28 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1g5w h ALA 28 CO -0.16 0.61 -0.46 1.15 0.00 0.00 0.00 179.25 180.40 1g5w h THR 29 N 0.90 1.31 -0.92 0.00 2.02 -1.94 -2.90 112.91 111.39 1g5w h THR 29 Ca 0.16 -1.67 0.04 0.00 0.77 0.00 0.00 66.41 65.71 1g5w h THR 29 Cb 0.57 1.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.73 1g5w h THR 29 CO 0.03 0.53 0.60 -0.09 0.37 0.00 0.00 175.52 176.96 1g5w h ARG 30 N 0.42 1.10 0.21 6.66 2.43 -1.31 -2.22 114.38 121.66 1g5w h ARG 30 Ca 0.01 -0.07 -0.33 0.00 -0.81 0.00 0.00 59.98 58.78 1g5w h ARG 30 Cb 1.06 -0.25 0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1g5w h ARG 30 CO 0.10 0.73 -1.52 1.96 -1.51 0.00 0.00 179.97 179.73 1g5w h GLN 31 N 1.13 0.44 -0.14 0.20 4.20 -1.36 -3.06 115.11 116.52 1g5w h GLN 31 Ca 0.37 -0.76 -0.20 0.00 0.06 0.00 0.00 58.65 58.12 1g5w h GLN 31 Cb 0.05 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1g5w h GLN 31 CO -0.12 1.35 -0.73 0.28 -0.67 0.00 0.00 178.83 178.95 1g5w h VAL 32 N 0.12 1.32 -0.08 -0.54 2.07 -1.57 -2.61 116.25 114.95 1g5w h VAL 32 Ca -0.26 -2.00 -0.07 0.00 0.82 0.00 0.00 66.70 65.19 1g5w h VAL 32 Cb 2.12 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.86 1g5w h VAL 32 CO 0.23 0.62 -0.29 0.00 0.02 0.00 0.00 177.57 178.16 1g5w h ALA 33 N 0.73 1.37 -0.36 1.67 0.00 -1.57 -2.16 119.26 118.95 1g5w h ALA 33 Ca -0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1g5w h ALA 33 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1g5w h ALA 33 CO 0.14 0.45 -0.05 0.66 0.00 0.00 0.00 179.25 180.44 1g5w h SER 34 N 0.13 0.67 -0.59 0.00 4.64 -1.59 -3.35 113.55 113.46 1g5w h SER 34 Ca 0.02 -0.34 -0.07 0.00 -0.47 0.00 0.00 61.79 60.93 1g5w h SER 34 Cb 0.58 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1g5w h SER 34 CO 0.04 0.86 0.11 -0.03 -0.87 0.00 0.00 176.83 176.94 1g5w h MET 35 N 0.47 1.00 -6.97 4.77 -1.53 -1.40 -3.46 114.93 107.81 1g5w h MET 35 Ca 0.09 -0.25 -0.51 0.00 -3.44 0.00 0.00 59.70 55.60 1g5w h MET 35 Cb 0.55 -0.13 0.06 0.00 -0.55 0.00 0.00 31.60 31.53 1g5w h MET 35 CO 0.03 0.92 0.51 -0.08 0.14 0.00 0.00 176.91 178.43 1g5w s THR 36 N -5.19 3.03 -0.47 -0.77 -1.32 -0.82 -5.04 115.64 105.06 1g5w s THR 36 Ca -0.11 0.83 -0.13 0.00 -1.21 0.00 0.00 61.69 61.07 1g5w s THR 36 Cb 0.15 -3.45 0.09 0.00 -1.51 0.00 0.00 72.50 67.78 1g5w s THR 36 CO 0.83 0.04 0.38 -0.54 -2.21 0.00 0.00 174.62 173.12 1g5w s LYS 37 N -2.48 2.81 -0.14 7.08 1.02 -1.26 -4.99 119.74 121.79 1g5w s LYS 37 Ca 0.60 -1.52 -0.29 0.00 0.02 0.00 0.00 55.97 54.78 1g5w s LYS 37 Cb -0.31 -4.05 -0.02 0.00 -0.52 0.00 0.00 37.83 32.92 1g5w s LYS 37 CO 0.38 -1.10 1.37 -1.25 -0.92 0.00 0.00 175.35 173.84 1g5w s PRO 38 N 1.54 4.20 -0.71 -1.68 0.04 -1.26 -4.76 135.00 132.37 1g5w s PRO 38 Ca 0.04 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.63 1g5w s PRO 38 Cb -0.26 -3.83 0.05 0.00 0.04 0.00 0.00 34.50 30.51 1g5w s PRO 38 CO 0.04 -0.77 1.11 0.99 0.04 0.00 0.00 177.00 178.41 1g5w s THR 39 N 3.70 4.07 -0.50 1.26 2.01 -0.65 -4.09 115.64 121.44 1g5w s THR 39 Ca 0.60 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.35 1g5w s THR 39 Cb -0.25 -4.79 0.07 0.00 0.01 0.00 0.00 72.50 67.54 1g5w s THR 39 CO 0.19 -1.64 0.52 -0.89 -0.69 0.00 0.00 174.62 172.11 1g5w s THR 40 N 4.75 5.06 -0.37 -0.82 2.01 -0.31 -2.06 115.64 123.90 1g5w s THR 40 Ca 0.28 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 1g5w s THR 40 Cb -0.13 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.15 1g5w s THR 40 CO 0.11 -0.73 0.26 -0.63 -0.69 0.00 0.00 174.62 172.94 1g5w s ILE 41 N 2.10 5.20 -0.29 1.82 1.01 -0.75 -1.86 121.20 128.43 1g5w s ILE 41 Ca 0.09 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 1g5w s ILE 41 Cb -0.23 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1g5w s ILE 41 CO 0.08 -0.15 0.14 -0.63 0.00 0.00 0.00 174.94 174.38 1g5w s ILE 42 N 1.69 4.66 -0.07 2.92 1.01 -0.69 -1.55 121.20 129.17 1g5w s ILE 42 Ca 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1g5w s ILE 42 Cb -0.18 -3.30 0.04 0.00 0.01 0.00 0.00 42.46 39.03 1g5w s ILE 42 CO 0.10 0.16 0.10 -0.70 0.00 0.00 0.00 174.94 174.60 1g5w s GLU 43 N 1.64 -0.03 -0.23 2.79 -6.30 -1.04 -2.13 118.70 113.41 1g5w s GLU 43 Ca 0.05 0.43 -0.18 0.00 -2.50 0.00 0.00 54.97 52.77 1g5w s GLU 43 Cb -0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 34.13 33.45 1g5w s GLU 43 CO 0.06 -0.34 0.53 0.21 0.02 0.00 0.00 175.26 175.74 1g5w s LYS 44 N 2.22 4.13 -0.53 4.30 2.20 -1.26 -1.90 119.74 128.90 1g5w s LYS 44 Ca 0.04 0.38 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1g5w s LYS 44 Cb -0.12 -3.61 0.14 0.00 -1.51 0.00 0.00 37.83 32.72 1g5w s LYS 44 CO -0.04 -0.26 0.30 -0.80 -0.36 0.00 0.00 175.35 174.18 1g5w s ASN 45 N 1.35 4.79 0.00 1.43 0.01 -0.82 -4.87 114.94 116.83 1g5w s ASN 45 Ca 0.23 -2.78 0.00 0.00 -0.71 0.00 0.00 52.86 49.60 1g5w s ASN 45 Cb -0.15 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 39.77 1g5w s ASN 45 CO 0.09 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.97 1g5w n GLY 46 N 3.50 1.96 2.22 0.66 0.00 -1.26 -2.97 105.19 109.30 1g5w n GLY 46 Ca 0.05 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 5.61 0.74 -3.63 1.61 2.03 -1.26 -5.08 116.55 116.57 1g5w n ASP 47 Ca 0.00 -2.89 -0.29 0.00 0.52 0.00 0.00 54.79 52.13 1g5w n ASP 47 Cb 0.00 -0.63 -0.15 0.00 -0.72 0.00 0.00 41.12 39.62 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 -1.86 0.40 -0.67 5.18 -1.09 -1.16 -4.55 121.20 117.46 1g5w s ILE 48 Ca 0.38 -1.09 -0.27 0.00 -2.23 0.00 0.00 60.65 57.44 1g5w s ILE 48 Cb 0.25 -1.32 0.04 0.00 -1.58 0.00 0.00 42.46 39.84 1g5w s ILE 48 CO -0.09 -0.71 1.19 -0.76 -1.23 0.00 0.00 174.94 173.34 1g5w s LEU 49 N 1.85 3.46 -0.62 2.97 1.43 -0.79 -1.94 118.68 125.04 1g5w s LEU 49 Ca 0.10 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 1g5w s LEU 49 Cb -0.17 -2.73 0.14 0.00 0.03 0.00 0.00 46.19 43.47 1g5w s LEU 49 CO -0.31 -1.65 0.62 -0.89 0.23 0.00 0.00 176.35 174.35 1g5w s THR 50 N 5.19 5.17 -0.52 5.49 2.01 -0.80 -2.06 115.64 130.12 1g5w s THR 50 Ca 0.35 -1.55 -0.16 0.00 0.31 0.00 0.00 61.69 60.64 1g5w s THR 50 Cb -0.09 -4.41 0.10 0.00 0.01 0.00 0.00 72.50 68.11 1g5w s THR 50 CO 0.18 -0.98 0.50 -0.22 -0.69 0.00 0.00 174.62 173.40 1g5w s LEU 51 N 1.64 5.81 -0.39 4.42 0.20 -0.55 -2.49 118.68 127.33 1g5w s LEU 51 Ca 0.09 -1.53 -0.15 0.00 0.69 0.00 0.00 54.13 53.23 1g5w s LEU 51 Cb -0.24 -2.23 0.01 0.00 -0.43 0.00 0.00 46.19 43.30 1g5w s LEU 51 CO 0.01 -0.82 0.34 -0.54 -0.29 0.00 0.00 176.35 175.05 1g5w s LYS 52 N 1.83 3.16 -0.74 1.98 1.02 -0.59 -2.50 119.74 123.89 1g5w s LYS 52 Ca 0.05 -0.82 -0.19 0.00 0.02 0.00 0.00 55.97 55.03 1g5w s LYS 52 Cb -0.27 -3.93 0.11 0.00 -0.52 0.00 0.00 37.83 33.23 1g5w s LYS 52 CO 0.05 -0.70 0.92 0.99 -0.92 0.00 0.00 175.35 175.69 1g5w s THR 53 N 1.85 4.72 -0.77 2.17 2.01 -0.79 -1.81 115.64 123.03 1g5w s THR 53 Ca 0.08 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 1g5w s THR 53 Cb -0.18 -4.64 0.08 0.00 0.01 0.00 0.00 72.50 67.78 1g5w s THR 53 CO 0.11 -1.33 1.07 -1.00 -0.69 0.00 0.00 174.62 172.78 1g5w s HIS 54 N 2.85 2.76 -0.00 4.92 3.76 -0.88 -3.03 115.29 125.67 1g5w s HIS 54 Ca 0.22 -0.77 0.05 0.00 -0.15 0.00 0.00 55.06 54.41 1g5w s HIS 54 Cb -0.15 -4.35 -0.01 0.00 1.11 0.00 0.00 32.58 29.18 1g5w s HIS 54 CO 0.01 -1.66 -0.17 0.45 -0.85 0.00 0.00 174.74 172.52 1g5w s SER 55 N 3.78 1.97 -0.16 1.40 0.15 -1.26 -1.64 113.70 117.94 1g5w s SER 55 Ca 0.28 -0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 1g5w s SER 55 Cb -0.12 -0.21 -0.11 0.00 -1.71 0.00 0.00 66.02 63.87 1g5w s SER 55 CO 0.03 0.18 3.13 0.35 1.20 0.00 0.00 173.24 178.13 1g5w n THR 56 N 2.53 3.00 0.03 6.45 -2.24 -1.26 -4.19 114.28 118.59 1g5w n THR 56 Ca -0.15 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 1g5w n THR 56 Cb 0.54 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 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 1.78 -2.63 -3.90 4.78 -0.00 -1.26 -4.95 117.46 111.28 1g5w n PHE 57 Ca 0.40 0.17 -0.30 0.00 -0.00 0.00 0.00 57.45 57.72 1g5w n PHE 57 Cb 0.75 0.87 -0.15 0.00 -0.00 0.00 0.00 39.48 40.94 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 -1.10 1.18 -0.19 -4.13 -2.85 -1.26 -5.12 119.74 106.27 1g5w s LYS 58 Ca 0.00 -1.51 -0.19 0.00 -1.00 0.00 0.00 55.97 53.27 1g5w s LYS 58 Cb 0.00 -2.68 -0.03 0.00 -2.06 0.00 0.00 37.83 33.06 1g5w s LYS 58 CO 0.00 -0.94 0.56 0.54 0.10 0.00 0.00 175.35 175.61 1g5w s ASN 59 N 1.22 6.63 -0.05 0.03 2.20 -1.26 -4.71 114.94 119.00 1g5w s ASN 59 Ca 0.10 0.76 0.02 0.00 -0.94 0.00 0.00 52.86 52.80 1g5w s ASN 59 Cb -0.18 -2.32 0.01 0.00 -2.00 0.00 0.00 41.25 36.76 1g5w s ASN 59 CO -0.15 -0.20 -0.11 0.42 -2.94 0.00 0.00 177.10 174.12 1g5w s THR 60 N 1.64 0.97 -0.11 0.54 -4.23 -1.17 -4.69 115.64 108.59 1g5w s THR 60 Ca 0.26 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.39 1g5w s THR 60 Cb -0.16 -0.88 -0.01 0.00 1.34 0.00 0.00 72.50 72.79 1g5w s THR 60 CO 0.10 0.31 -0.20 -0.70 -0.54 0.00 0.00 174.62 173.59 1g5w s GLU 61 N 0.49 3.12 -0.07 3.99 -6.30 -1.26 -1.88 118.70 116.78 1g5w s GLU 61 Ca -0.09 -0.81 0.04 0.00 -2.50 0.00 0.00 54.97 51.61 1g5w s GLU 61 Cb -0.13 -2.40 -0.00 0.00 0.00 0.00 0.00 34.13 31.60 1g5w s GLU 61 CO 0.02 0.21 -0.20 0.96 0.02 0.00 0.00 175.26 176.28 1g5w s ILE 62 N 0.29 1.67 -0.28 -3.70 -4.36 -1.04 -5.01 121.20 108.77 1g5w s ILE 62 Ca -0.15 -0.83 0.03 0.00 -0.26 0.00 0.00 60.65 59.45 1g5w s ILE 62 Cb -0.17 -1.45 0.07 0.00 1.25 0.00 0.00 42.46 42.17 1g5w s ILE 62 CO 0.07 0.47 -0.06 -0.55 0.24 0.00 0.00 174.94 175.12 1g5w s SER 63 N 0.19 4.44 -0.01 4.36 0.15 -1.26 -1.48 113.70 120.10 1g5w s SER 63 Ca -0.10 -1.56 0.01 0.00 0.70 0.00 0.00 55.95 55.01 1g5w s SER 63 Cb -0.14 -1.51 0.01 0.00 -1.71 0.00 0.00 66.02 62.66 1g5w s SER 63 CO 0.05 -0.25 -0.04 0.72 1.20 0.00 0.00 173.24 174.92 1g5w s PHE 64 N 1.10 0.44 -0.98 3.44 -0.71 -0.88 -4.90 117.98 115.50 1g5w s PHE 64 Ca -0.03 -0.08 0.17 0.00 -1.04 0.00 0.00 56.93 55.95 1g5w s PHE 64 Cb -0.20 -0.35 0.63 0.00 -1.21 0.00 0.00 43.02 41.90 1g5w s PHE 64 CO -0.06 -0.05 1.55 1.63 -1.34 0.00 0.00 175.22 176.94 1g5w n LYS 65 N 3.33 3.49 -2.49 1.99 5.02 -1.26 -1.88 118.16 126.36 1g5w n LYS 65 Ca -0.17 -2.76 -0.04 0.00 -2.02 0.00 0.00 58.31 53.32 1g5w n LYS 65 Cb 0.56 -1.79 -0.03 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 0.82 -6.14 -0.28 -0.35 4.32 -1.25 -4.78 117.00 109.33 1g5w n LEU 66 Ca 0.23 1.81 0.00 0.00 -0.02 0.00 0.00 56.01 58.03 1g5w n LEU 66 Cb 0.82 -3.03 0.00 0.00 -1.62 0.00 0.00 43.42 39.59 1g5w n LEU 66 CO 0.20 -3.35 0.00 0.61 -1.22 0.00 0.00 177.39 173.63 1g5w n GLY 67 N 1.23 0.97 2.74 -0.72 0.00 -0.33 -4.94 105.19 104.14 1g5w n GLY 67 Ca -0.26 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.56 0.05 -0.33 1.61 1.01 -1.26 -5.04 120.40 113.88 1g5w s VAL 68 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 1g5w s VAL 68 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1g5w s VAL 68 CO 0.00 0.17 0.75 -0.70 0.00 0.00 0.00 175.10 175.32 1g5w s GLU 69 N 1.66 3.87 -0.07 2.72 2.12 -1.26 -4.20 118.70 123.55 1g5w s GLU 69 Ca -0.01 0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.77 1g5w s GLU 69 Cb -0.13 -3.76 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1g5w s GLU 69 CO -0.03 -0.71 -0.17 -0.59 -0.54 0.00 0.00 175.26 173.22 1g5w s PHE 70 N 2.92 1.84 -0.39 5.30 -0.71 -0.99 -4.89 117.98 121.06 1g5w s PHE 70 Ca 0.30 -0.66 -0.29 0.00 -1.04 0.00 0.00 56.93 55.25 1g5w s PHE 70 Cb -0.14 -1.27 0.00 0.00 -1.21 0.00 0.00 43.02 40.40 1g5w s PHE 70 CO 0.14 -0.28 1.48 0.16 -1.34 0.00 0.00 175.22 175.38 1g5w s ASP 71 N 0.36 6.27 -0.14 1.98 1.47 -1.26 -1.56 116.67 123.79 1g5w s ASP 71 Ca -0.12 0.95 -0.05 0.00 1.18 0.00 0.00 52.55 54.52 1g5w s ASP 71 Cb -0.15 -2.54 -0.03 0.00 -0.34 0.00 0.00 42.92 39.86 1g5w s ASP 71 CO 0.05 -1.46 0.01 -0.70 0.68 0.00 0.00 175.17 173.74 1g5w s GLU 72 N 5.03 3.59 -0.31 2.11 2.56 -0.50 -4.92 118.70 126.25 1g5w s GLU 72 Ca 0.65 -0.42 -0.15 0.00 0.00 0.00 0.00 54.97 55.05 1g5w s GLU 72 Cb -0.16 -2.99 -0.03 0.00 2.00 0.00 0.00 34.13 32.96 1g5w s GLU 72 CO 0.32 0.39 0.35 0.99 -0.56 0.00 0.00 175.26 176.75 1g5w s THR 73 N -0.01 5.19 0.66 -1.70 2.01 -1.26 -1.38 115.64 119.14 1g5w s THR 73 Ca 0.03 0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.22 1g5w s THR 73 Cb -0.13 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.67 1g5w s THR 73 CO 0.02 0.04 0.98 0.42 -0.69 0.00 0.00 174.62 175.39 1g5w s THR 74 N 2.01 3.07 0.27 -0.82 -4.23 -0.95 -4.91 115.64 110.08 1g5w s THR 74 Ca 0.12 -0.03 0.35 0.00 -1.18 0.00 0.00 61.69 60.95 1g5w s THR 74 Cb -0.16 -3.27 0.38 0.00 1.34 0.00 0.00 72.50 70.78 1g5w s THR 74 CO 0.11 -0.30 2.07 0.00 -0.54 0.00 0.00 174.62 175.96 1g5w h ALA 75 N -0.43 1.04 0.00 3.99 0.00 -1.93 -1.90 119.26 120.03 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 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1g5w h ALA 75 CO 0.61 0.04 0.00 -3.47 0.00 0.00 0.00 179.25 176.43 1g5w n ASP 76 N -3.18 0.00 -2.16 0.00 -0.08 -1.26 -4.99 116.55 104.88 1g5w n ASP 76 Ca -0.01 -0.80 -0.00 0.00 -1.51 0.00 0.00 54.79 52.47 1g5w n ASP 76 Cb 0.25 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.70 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 -1.01 -4.45 -3.73 1.67 8.00 -0.71 -5.10 116.55 111.21 1g5w n ASP 77 Ca 0.20 -0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.51 1g5w n ASP 77 Cb 0.10 -2.82 -0.16 0.00 -0.02 0.00 0.00 41.12 38.21 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 -2.99 -0.01 -0.78 -1.24 0.52 -1.26 -4.93 118.95 108.26 1g5w s ARG 78 Ca 0.00 0.32 -0.24 0.00 -0.52 0.00 0.00 55.73 55.29 1g5w s ARG 78 Cb -0.00 -0.29 0.06 0.00 0.52 0.00 0.00 34.95 35.23 1g5w s ARG 78 CO 0.32 -0.22 1.19 -1.59 0.02 0.00 0.00 175.30 175.02 1g5w s LYS 79 N 1.47 3.28 -0.15 3.54 0.00 -1.26 -2.24 119.74 124.38 1g5w s LYS 79 Ca -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 55.97 55.17 1g5w s LYS 79 Cb -0.12 -4.48 -0.01 0.00 0.00 0.00 0.00 37.83 33.21 1g5w s LYS 79 CO -0.04 -2.02 -0.11 0.14 0.00 0.00 0.00 175.35 173.33 1g5w s VAL 80 N 4.75 3.12 -0.64 1.79 -7.23 -0.48 -4.59 120.40 117.12 1g5w s VAL 80 Ca 0.33 -0.62 -0.27 0.00 -1.81 0.00 0.00 61.98 59.60 1g5w s VAL 80 Cb -0.09 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.54 1g5w s VAL 80 CO 0.06 0.50 1.21 -0.54 -0.31 0.00 0.00 175.10 176.03 1g5w s LYS 81 N 0.64 3.38 -0.66 4.82 -0.14 -0.40 -1.41 119.74 125.97 1g5w s LYS 81 Ca -0.06 0.03 -0.15 0.00 -1.36 0.00 0.00 55.97 54.42 1g5w s LYS 81 Cb -0.15 -4.08 0.17 0.00 -1.68 0.00 0.00 37.83 32.08 1g5w s LYS 81 CO 0.03 -1.85 0.61 -1.12 -0.76 0.00 0.00 175.35 172.25 1g5w s SER 82 N 3.26 6.41 -0.31 2.83 0.01 -0.60 -2.80 113.70 122.50 1g5w s SER 82 Ca 0.39 -2.17 -0.07 0.00 1.31 0.00 0.00 55.95 55.40 1g5w s SER 82 Cb -0.08 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1g5w s SER 82 CO 0.21 -0.73 0.10 -0.51 0.41 0.00 0.00 173.24 172.72 1g5w s ILE 83 N 0.99 4.06 -0.07 1.44 1.10 -0.82 -2.34 121.20 125.56 1g5w s ILE 83 Ca 0.09 -0.74 0.01 0.00 -0.51 0.00 0.00 60.65 59.51 1g5w s ILE 83 Cb -0.22 -3.14 0.02 0.00 0.15 0.00 0.00 42.46 39.27 1g5w s ILE 83 CO -0.02 0.01 -0.09 0.54 -2.11 0.00 0.00 174.94 173.27 1g5w s VAL 84 N 1.50 0.95 0.02 4.00 0.11 -1.26 -1.55 120.40 124.17 1g5w s VAL 84 Ca 0.02 -0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1g5w s VAL 84 Cb -0.18 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1g5w s VAL 84 CO 0.03 0.32 -0.01 0.28 -3.33 0.00 0.00 175.10 172.39 1g5w s THR 85 N 0.92 0.11 -0.37 5.04 -1.32 -0.98 -1.18 115.64 117.85 1g5w s THR 85 Ca -0.10 -0.90 -0.25 0.00 -1.21 0.00 0.00 61.69 59.23 1g5w s THR 85 Cb -0.15 -0.29 0.01 0.00 -1.51 0.00 0.00 72.50 70.57 1g5w s THR 85 CO 0.01 -0.49 0.88 -0.22 -2.21 0.00 0.00 174.62 172.59 1g5w s LEU 86 N -1.46 4.04 -1.06 9.08 2.96 -1.26 -1.65 118.68 129.33 1g5w s LEU 86 Ca -0.16 0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 1g5w s LEU 86 Cb -0.10 -3.19 0.26 0.00 0.50 0.00 0.00 46.19 43.67 1g5w s LEU 86 CO -0.01 -0.83 1.03 -0.62 -1.32 0.00 0.00 176.35 174.61 1g5w s ASP 87 N 1.88 7.08 -1.34 3.68 -1.08 -0.06 -4.72 116.67 122.11 1g5w s ASP 87 Ca 0.36 -3.54 -0.05 0.00 -0.52 0.00 0.00 52.55 48.80 1g5w s ASP 87 Cb -0.12 -2.16 0.02 0.00 -1.46 0.00 0.00 42.92 39.20 1g5w s ASP 87 CO 0.18 -0.29 0.97 0.61 0.52 0.00 0.00 175.17 177.16 1g5w n GLY 88 N 2.75 -0.42 0.00 2.66 0.00 -1.26 -2.64 105.19 106.28 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 -1.60 3.05 3.57 -0.02 0.00 -1.26 -5.05 105.19 103.87 1g5w n GLY 89 Ca -0.14 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 3.51 -0.36 1.61 2.20 -1.08 -4.75 119.74 120.87 1g5w s LYS 90 Ca 0.00 0.20 -0.27 0.00 -0.36 0.00 0.00 55.97 55.54 1g5w s LYS 90 Cb 0.00 -4.00 0.02 0.00 -1.51 0.00 0.00 37.83 32.33 1g5w s LYS 90 CO 0.00 -1.59 0.99 -1.17 -0.36 0.00 0.00 175.35 173.22 1g5w s LEU 91 N 4.66 3.94 -0.31 5.43 2.96 -0.69 -0.88 118.68 133.80 1g5w s LEU 91 Ca 0.41 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1g5w s LEU 91 Cb -0.08 -3.37 0.05 0.00 0.50 0.00 0.00 46.19 43.28 1g5w s LEU 91 CO 0.25 -0.90 0.02 -0.69 -1.32 0.00 0.00 176.35 173.72 1g5w s VAL 92 N 3.61 3.18 -0.05 1.68 1.01 -0.66 -1.11 120.40 128.07 1g5w s VAL 92 Ca 0.41 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1g5w s VAL 92 Cb -0.12 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1g5w s VAL 92 CO 0.19 -0.11 0.03 -2.28 0.00 0.00 0.00 175.10 172.93 1g5w s HIS 93 N 1.29 3.19 -0.09 5.22 2.46 -1.22 -2.31 115.29 123.84 1g5w s HIS 93 Ca -0.04 0.19 -0.00 0.00 0.47 0.00 0.00 55.06 55.67 1g5w s HIS 93 Cb -0.20 -1.75 0.02 0.00 -0.13 0.00 0.00 32.58 30.52 1g5w s HIS 93 CO -0.00 0.50 -0.06 -1.17 -2.47 0.00 0.00 174.74 171.54 1g5w s LEU 94 N -1.26 1.11 -0.33 8.88 2.96 -0.60 -1.69 118.68 127.74 1g5w s LEU 94 Ca 0.17 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1g5w s LEU 94 Cb -0.12 -0.67 0.08 0.00 0.50 0.00 0.00 46.19 45.98 1g5w s LEU 94 CO 0.07 -0.11 0.06 -1.10 -1.32 0.00 0.00 176.35 173.95 1g5w s GLN 95 N 1.52 2.15 -0.12 1.98 -0.21 -0.65 -1.95 119.66 122.39 1g5w s GLN 95 Ca -0.00 -1.52 -0.03 0.00 0.02 0.00 0.00 55.36 53.83 1g5w s GLN 95 Cb -0.13 -3.28 -0.03 0.00 1.00 0.00 0.00 33.01 30.57 1g5w s GLN 95 CO -0.05 -0.79 -0.01 0.15 -2.12 0.00 0.00 175.29 172.47 1g5w s LYS 96 N 1.16 3.30 -0.23 2.91 1.02 -1.12 -1.45 119.74 125.32 1g5w s LYS 96 Ca 0.01 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 1g5w s LYS 96 Cb -0.21 -2.87 0.12 0.00 -0.52 0.00 0.00 37.83 34.36 1g5w s LYS 96 CO -0.03 0.51 0.36 1.67 -0.92 0.00 0.00 175.35 176.93 1g5w s TRP 97 N -0.35 -0.74 -1.18 3.18 -2.14 -0.42 -1.27 118.94 116.02 1g5w s TRP 97 Ca 0.07 0.82 -0.16 0.00 2.66 0.00 0.00 56.10 59.49 1g5w s TRP 97 Cb -0.12 -0.01 -0.01 0.00 -3.10 0.00 0.00 33.47 30.23 1g5w s TRP 97 CO 0.02 -0.67 0.75 -3.47 -2.66 0.00 0.00 176.95 170.92 1g5w n ASP 98 N 5.36 -4.41 0.00 -2.66 2.03 -1.26 -2.08 116.55 113.53 1g5w n ASP 98 Ca -0.04 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1g5w n ASP 98 Cb 0.50 -3.49 0.00 0.00 -0.72 0.00 0.00 41.12 37.41 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 -1.69 2.24 3.77 0.27 0.00 -1.26 -5.03 105.19 103.49 1g5w n GLY 99 Ca -0.14 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 4.17 0.23 1.61 -0.21 -0.88 -5.11 119.66 119.47 1g5w s GLN 100 Ca 0.00 0.45 0.09 0.00 0.02 0.00 0.00 55.36 55.92 1g5w s GLN 100 Cb 0.00 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 1g5w s GLN 100 CO 0.00 0.41 -0.04 -1.83 -2.12 0.00 0.00 175.29 171.71 1g5w s GLU 101 N -0.19 2.21 -0.05 2.91 -1.05 -1.26 -1.30 118.70 119.96 1g5w s GLU 101 Ca 0.25 -1.36 -0.02 0.00 -0.15 0.00 0.00 54.97 53.69 1g5w s GLU 101 Cb -0.16 -2.16 0.03 0.00 -0.44 0.00 0.00 34.13 31.40 1g5w s GLU 101 CO 0.12 0.39 0.08 -0.08 0.95 0.00 0.00 175.26 176.72 1g5w s THR 102 N -2.09 -0.14 -0.18 1.83 -1.32 -0.53 -4.42 115.64 108.79 1g5w s THR 102 Ca 0.29 0.41 -0.19 0.00 -1.21 0.00 0.00 61.69 60.98 1g5w s THR 102 Cb -0.07 -0.18 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 1g5w s THR 102 CO 0.18 0.17 0.56 0.42 -2.21 0.00 0.00 174.62 173.74 1g5w s THR 103 N 2.17 5.09 -1.06 5.08 -4.23 -0.84 -1.64 115.64 120.21 1g5w s THR 103 Ca 0.04 1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 61.53 1g5w s THR 103 Cb -0.12 -3.88 0.27 0.00 1.34 0.00 0.00 72.50 70.10 1g5w s THR 103 CO -0.04 0.19 1.04 -0.76 -0.54 0.00 0.00 174.62 174.51 1g5w s LEU 104 N 1.49 6.20 -0.54 4.79 1.02 -0.68 -2.14 118.68 128.82 1g5w s LEU 104 Ca 0.27 -3.60 -0.23 0.00 0.02 0.00 0.00 54.13 50.59 1g5w s LEU 104 Cb -0.16 -2.15 0.05 0.00 0.02 0.00 0.00 46.19 43.95 1g5w s LEU 104 CO 0.10 -0.27 0.85 -0.69 0.02 0.00 0.00 176.35 176.36 1g5w s VAL 105 N -1.24 4.53 -0.24 -1.59 1.01 -0.73 -3.37 120.40 118.78 1g5w s VAL 105 Ca 0.30 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1g5w s VAL 105 Cb -0.10 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1g5w s VAL 105 CO -0.09 -1.02 0.10 -0.13 0.00 0.00 0.00 175.10 173.96 1g5w s ARG 106 N 3.55 3.85 -0.08 2.72 0.52 -0.27 -1.53 118.95 127.72 1g5w s ARG 106 Ca 0.26 -0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 55.04 1g5w s ARG 106 Cb -0.15 -3.39 0.04 0.00 0.52 0.00 0.00 34.95 31.98 1g5w s ARG 106 CO 0.17 -0.03 0.17 -1.83 0.02 0.00 0.00 175.30 173.80 1g5w s GLU 107 N 1.24 0.14 -0.33 3.54 -1.05 -0.99 -1.70 118.70 119.55 1g5w s GLU 107 Ca 0.06 0.39 -0.28 0.00 -0.15 0.00 0.00 54.97 54.99 1g5w s GLU 107 Cb -0.14 -0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.44 1g5w s GLU 107 CO 0.05 -0.14 1.03 -0.51 0.95 0.00 0.00 175.26 176.63 1g5w s LEU 108 N 1.04 3.94 -0.27 1.83 2.01 -1.26 -1.92 118.68 124.05 1g5w s LEU 108 Ca -0.08 0.93 0.02 0.00 0.01 0.00 0.00 54.13 55.01 1g5w s LEU 108 Cb -0.10 -3.47 0.07 0.00 0.01 0.00 0.00 46.19 42.71 1g5w s LEU 108 CO -0.06 -0.87 -0.03 -0.63 1.01 0.00 0.00 176.35 175.77 1g5w s ILE 109 N 3.60 1.76 -1.22 -0.59 1.01 -0.98 -4.85 121.20 119.93 1g5w s ILE 109 Ca 0.43 -1.55 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 1g5w s ILE 109 Cb -0.12 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 1g5w s ILE 109 CO 0.16 -0.24 0.92 0.47 0.00 0.00 0.00 174.94 176.25 1g5w n ASP 110 N 4.55 -2.03 -0.86 3.58 9.92 -1.26 -2.73 116.55 127.73 1g5w n ASP 110 Ca -0.08 -0.68 -0.11 0.00 -0.53 0.00 0.00 54.79 53.39 1g5w n ASP 110 Cb 0.43 -4.85 -0.05 0.00 -0.64 0.00 0.00 41.12 36.01 1g5w n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g5w n GLY 111 N -1.25 1.20 3.08 0.44 0.00 -1.26 -5.04 105.19 102.36 1g5w n GLY 111 Ca -0.28 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.82 1.92 -0.53 1.61 1.02 -1.11 -4.51 119.74 115.33 1g5w s LYS 112 Ca 0.00 -0.53 -0.28 0.00 0.02 0.00 0.00 55.97 55.18 1g5w s LYS 112 Cb 0.00 -1.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.77 1g5w s LYS 112 CO 0.00 0.10 1.22 -1.17 -0.92 0.00 0.00 175.35 174.58 1g5w s LEU 113 N 0.46 3.51 -0.54 3.17 2.96 -0.82 -2.31 118.68 125.12 1g5w s LEU 113 Ca -0.13 0.30 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 1g5w s LEU 113 Cb -0.15 -3.31 0.12 0.00 0.50 0.00 0.00 46.19 43.35 1g5w s LEU 113 CO 0.04 -1.43 0.51 -0.63 -1.32 0.00 0.00 176.35 173.52 1g5w s ILE 114 N 4.95 5.18 -0.62 6.68 -1.09 -0.81 -2.18 121.20 133.31 1g5w s ILE 114 Ca 0.47 -1.42 -0.20 0.00 -2.23 0.00 0.00 60.65 57.27 1g5w s ILE 114 Cb -0.08 -4.34 0.09 0.00 -1.58 0.00 0.00 42.46 36.55 1g5w s ILE 114 CO 0.28 -0.87 0.81 -0.22 -1.23 0.00 0.00 174.94 173.71 1g5w s LEU 115 N 1.70 5.00 -0.36 2.97 2.96 -0.50 -2.34 118.68 128.12 1g5w s LEU 115 Ca 0.04 -1.28 -0.24 0.00 -0.22 0.00 0.00 54.13 52.44 1g5w s LEU 115 Cb -0.29 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.06 1g5w s LEU 115 CO 0.04 -1.24 0.80 0.42 -1.32 0.00 0.00 176.35 175.05 1g5w s THR 116 N 3.21 4.72 -0.83 3.68 -4.23 -0.58 -1.25 115.64 120.36 1g5w s THR 116 Ca 0.16 0.96 -0.12 0.00 -1.18 0.00 0.00 61.69 61.51 1g5w s THR 116 Cb -0.21 -4.22 0.22 0.00 1.34 0.00 0.00 72.50 69.62 1g5w s THR 116 CO 0.07 -0.43 0.75 -0.76 -0.54 0.00 0.00 174.62 173.72 1g5w s LEU 117 N 3.14 6.50 -0.42 4.79 1.43 -0.58 -1.77 118.68 131.77 1g5w s LEU 117 Ca 0.32 -2.82 -0.15 0.00 -1.03 0.00 0.00 54.13 50.46 1g5w s LEU 117 Cb -0.13 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1g5w s LEU 117 CO 0.17 -0.51 0.31 -0.89 0.23 0.00 0.00 176.35 175.66 1g5w s THR 118 N -0.03 5.19 -0.05 5.49 2.01 -0.91 -2.01 115.64 125.34 1g5w s THR 118 Ca 0.19 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 1g5w s THR 118 Cb -0.11 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1g5w s THR 118 CO -0.08 -0.36 0.22 -0.74 -0.69 0.00 0.00 174.62 172.96 1g5w h HIS 119 N 8.64 -0.13 0.00 4.92 6.17 -1.77 -2.23 115.15 130.75 1g5w h HIS 119 Ca -0.27 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.81 1g5w h HIS 119 Cb 1.12 0.04 0.00 0.00 2.52 0.00 0.00 27.41 31.09 1g5w h HIS 119 CO 0.57 -0.08 0.00 0.41 0.71 0.00 0.00 177.93 179.54 1g5w n GLY 120 N 1.33 -1.99 0.13 5.26 0.00 -1.26 -4.64 105.19 104.03 1g5w n GLY 120 Ca -0.02 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 1g5w n GLY 120 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1g5w h THR 121 N 0.00 0.86 -3.60 2.61 2.02 -2.01 -3.45 112.91 109.34 1g5w h THR 121 Ca 0.00 -1.16 -0.68 0.00 0.77 0.00 0.00 66.41 65.33 1g5w h THR 121 Cb 0.00 1.45 -0.18 0.00 -1.74 0.00 0.00 68.15 67.68 1g5w h THR 121 CO 0.00 0.23 -0.28 0.00 0.37 0.00 0.00 175.52 175.84 1g5w s ALA 122 N -3.62 3.47 -0.19 6.16 0.00 -1.26 -5.07 121.76 121.25 1g5w s ALA 122 Ca -0.12 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.30 1g5w s ALA 122 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1g5w s ALA 122 CO 0.47 -1.32 0.32 0.54 0.00 0.00 0.00 175.76 175.77 1g5w s VAL 123 N 2.02 5.27 -0.43 0.00 0.11 -1.26 -3.45 120.40 122.66 1g5w s VAL 123 Ca 0.11 0.57 -0.14 0.00 -2.93 0.00 0.00 61.98 59.58 1g5w s VAL 123 Cb -0.17 -3.65 0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1g5w s VAL 123 CO 0.12 0.33 0.32 0.00 -3.33 0.00 0.00 175.10 172.54 1g5w s THR 125 N 1.64 4.52 -0.31 0.00 2.01 -0.92 -1.52 115.64 121.05 1g5w s THR 125 Ca 0.04 0.97 -0.10 0.00 0.31 0.00 0.00 61.69 62.91 1g5w s THR 125 Cb -0.21 -4.39 -0.01 0.00 0.01 0.00 0.00 72.50 67.90 1g5w s THR 125 CO 0.08 -0.70 0.15 -0.13 -0.69 0.00 0.00 174.62 173.33 1g5w s ARG 126 N 3.65 3.37 -0.11 4.92 0.52 -0.38 -2.37 118.95 128.55 1g5w s ARG 126 Ca 0.38 -0.69 -0.20 0.00 -0.52 0.00 0.00 55.73 54.70 1g5w s ARG 126 Cb -0.11 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1g5w s ARG 126 CO 0.23 -0.40 0.56 0.99 0.02 0.00 0.00 175.30 176.70 1g5w s THR 127 N 1.62 5.13 -0.08 0.02 2.01 -0.90 -1.41 115.64 122.03 1g5w s THR 127 Ca 0.05 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.19 1g5w s THR 127 Cb -0.17 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1g5w s THR 127 CO 0.06 0.28 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.79 1g5w s TYR 128 N 0.80 1.94 0.24 4.92 1.51 -0.93 -1.43 117.35 124.41 1g5w s TYR 128 Ca 0.29 -0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1g5w s TYR 128 Cb -0.16 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1g5w s TYR 128 CO 0.13 -0.35 0.47 -1.21 -1.11 0.00 0.00 175.55 173.47 1g5w s GLU 129 N 0.55 3.58 -0.32 -0.62 2.02 -1.16 -1.94 118.70 120.82 1g5w s GLU 129 Ca -0.16 -0.16 -0.24 0.00 0.02 0.00 0.00 54.97 54.43 1g5w s GLU 129 Cb -0.17 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1g5w s GLU 129 CO 0.05 0.32 0.82 0.21 0.02 0.00 0.00 175.26 176.68 1g5w s LYS 130 N -3.38 3.92 0.07 1.61 2.20 -1.26 -2.78 119.74 120.11 1g5w s LYS 130 Ca 0.41 0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 56.45 1g5w s LYS 130 Cb -0.11 -3.75 -0.21 0.00 -1.51 0.00 0.00 37.83 32.25 1g5w s LYS 130 CO 0.29 -0.75 1.21 1.49 -0.36 0.00 0.00 175.35 177.23 1g5w h GLU 131 N 8.21 0.67 0.00 4.03 4.57 -1.51 -3.49 114.58 127.07 1g5w h GLU 131 Ca -0.24 -0.66 0.00 0.00 -1.18 0.00 0.00 59.36 57.28 1g5w h GLU 131 Cb 1.09 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1g5w h GLU 131 CO 0.91 1.26 0.00 0.00 -1.18 0.00 0.00 179.01 179.99