#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpd n LYS 2 N 0.00 0.00 0.00 1.61 4.81 -1.25 -1.06 118.16 122.27 3gpd n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3gpd n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3gpd n LYS 2 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3gpd n VAL 3 N 0.00 0.00 0.00 3.15 0.31 -1.20 -3.55 118.33 117.04 3gpd n VAL 3 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 64.34 65.24 3gpd n VAL 3 Cb 0.00 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 3gpd n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3gpd n LYS 4 N -0.53 0.00 -4.56 5.55 2.85 -1.14 -4.69 118.16 115.64 3gpd n LYS 4 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 3gpd n LYS 4 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 3gpd n LYS 4 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3gpd s VAL 5 N 0.00 2.00 0.22 0.58 -7.23 -1.06 -3.33 120.40 111.58 3gpd s VAL 5 Ca 0.00 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 58.01 3gpd s VAL 5 Cb 0.00 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 3gpd s VAL 5 CO 0.00 -0.12 0.26 -0.83 -0.31 0.00 0.00 175.10 174.11 3gpd s GLY 6 N -3.62 1.08 -0.24 2.32 0.00 -0.98 -2.54 107.32 103.33 3gpd s GLY 6 Ca 0.33 -1.38 -0.26 0.00 0.00 0.00 0.00 44.72 43.42 3gpd s GLY 6 CO 0.17 -1.10 0.72 0.14 0.00 0.00 0.00 173.10 173.03 3gpd s VAL 7 N -4.10 0.00 -0.25 1.40 1.01 -1.18 -1.29 120.40 115.99 3gpd s VAL 7 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 3gpd s VAL 7 Cb 0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3gpd s VAL 7 CO 0.11 0.00 0.08 -0.62 0.00 0.00 0.00 175.10 174.66 3gpd s ASP 8 N 0.19 5.22 0.00 3.32 3.68 0.22 -2.32 116.67 126.98 3gpd s ASP 8 Ca -0.01 -0.18 0.00 0.00 2.13 0.00 0.00 52.55 54.49 3gpd s ASP 8 Cb -0.04 -1.94 0.00 0.00 -1.45 0.00 0.00 42.92 39.49 3gpd s ASP 8 CO 0.02 -0.02 0.00 0.61 0.13 0.00 0.00 175.17 175.91 3gpd n GLY 9 N 4.84 -0.19 3.56 2.66 0.00 -1.24 0.15 105.19 114.96 3gpd n GLY 9 Ca -0.16 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 3gpd n GLY 9 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gpd s PHE 10 N -1.29 1.29 0.00 1.61 5.36 -1.26 -2.98 117.98 120.71 3gpd s PHE 10 Ca 0.00 1.17 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 3gpd s PHE 10 Cb 0.00 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 3gpd s PHE 10 CO 0.00 -2.70 0.00 0.41 -1.46 0.00 0.00 175.22 171.47 3gpd n GLY 11 N 5.85 2.62 4.54 13.12 0.00 -1.26 -4.89 105.19 125.18 3gpd n GLY 11 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3gpd n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpd n ARG 12 N -0.50 0.00 -0.10 1.61 5.12 -1.26 0.68 116.66 122.20 3gpd n ARG 12 Ca 0.00 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3gpd n ARG 12 Cb 0.00 0.00 0.26 0.00 -1.16 0.00 0.00 32.46 31.56 3gpd n ARG 12 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3gpd h ILE 13 N 0.00 1.19 0.70 0.55 1.08 -1.90 -3.28 117.51 115.85 3gpd h ILE 13 Ca 0.00 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.84 3gpd h ILE 13 Cb 0.00 0.55 0.01 0.00 -3.07 0.00 0.00 36.82 34.31 3gpd h ILE 13 CO 0.00 0.23 -0.34 1.23 -0.69 0.00 0.00 178.15 178.59 3gpd h GLY 14 N 0.89 -0.99 0.20 5.37 0.00 2.23 -3.02 103.07 107.75 3gpd h GLY 14 Ca 0.18 0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.99 3gpd h GLY 14 CO -0.02 -0.36 0.13 3.21 0.00 0.00 0.00 176.54 179.50 3gpd h ARG 15 N -1.00 0.26 -0.21 4.80 2.47 -1.67 0.54 114.38 119.57 3gpd h ARG 15 Ca -0.10 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3gpd h ARG 15 Cb 0.74 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 3gpd h ARG 15 CO 0.16 0.17 0.12 1.25 0.56 0.00 0.00 179.97 182.22 3gpd h LEU 16 N 0.26 0.26 -0.48 3.04 7.12 -1.64 4.86 115.31 128.72 3gpd h LEU 16 Ca 0.31 -0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.34 3gpd h LEU 16 Cb 0.46 -0.07 -0.09 0.00 -0.53 0.00 0.00 40.66 40.43 3gpd h LEU 16 CO -0.40 0.26 -0.13 0.58 -0.13 0.00 0.00 178.44 178.62 3gpd h VAL 17 N 0.24 0.50 -0.31 1.05 2.07 -0.79 1.45 116.25 120.45 3gpd h VAL 17 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3gpd h VAL 17 Cb 0.06 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3gpd h VAL 17 CO -0.01 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.66 3gpd h THR 18 N -0.02 1.22 0.78 2.57 1.03 -0.97 0.41 112.91 117.93 3gpd h THR 18 Ca 0.23 -0.72 -0.03 0.00 -0.01 0.00 0.00 66.41 65.88 3gpd h THR 18 Cb 0.37 1.10 -0.01 0.00 -1.07 0.00 0.00 68.15 68.54 3gpd h THR 18 CO -0.50 0.24 -0.50 -0.09 -0.01 0.00 0.00 175.52 174.66 3gpd h ARG 19 N 0.34 -1.16 -0.33 0.00 2.43 1.41 -3.09 114.38 113.98 3gpd h ARG 19 Ca 0.10 0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3gpd h ARG 19 Cb 0.28 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3gpd h ARG 19 CO 0.00 -0.78 -0.07 0.00 -1.51 0.00 0.00 179.97 177.61 3gpd h ALA 20 N -1.15 0.45 -0.91 2.80 0.00 0.16 -2.56 119.26 118.06 3gpd h ALA 20 Ca -0.10 -0.29 0.25 0.00 0.00 0.00 0.00 54.91 54.77 3gpd h ALA 20 Cb 0.97 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.51 3gpd h ALA 20 CO 0.09 0.28 0.35 0.00 0.00 0.00 0.00 179.25 179.98 3gpd h ALA 21 N 0.81 1.47 0.46 0.00 0.00 -0.19 0.40 119.26 122.21 3gpd h ALA 21 Ca 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3gpd h ALA 21 Cb 0.56 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gpd h ALA 21 CO 0.03 -0.46 -0.22 0.35 0.00 0.00 0.00 179.25 178.95 3gpd h PHE 22 N 0.29 -0.57 0.62 0.00 -0.00 -1.52 27.06 116.94 142.81 3gpd h PHE 22 Ca 0.60 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.97 58.52 3gpd h PHE 22 Cb 1.22 0.19 0.01 0.00 -0.00 0.00 0.00 35.95 37.37 3gpd h PHE 22 CO -0.17 -0.36 -0.30 -0.97 -0.00 0.00 0.00 178.31 176.51 3gpd h ASN 23 N -0.86 -0.71 0.30 0.41 -0.00 -0.83 -1.85 115.58 112.04 3gpd h ASN 23 Ca -0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.20 3gpd h ASN 23 Cb 0.47 0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.98 3gpd h ASN 23 CO 0.10 -0.40 -0.14 0.77 -0.00 0.00 0.00 177.43 177.76 3gpd h SER 24 N -1.00 -0.34 0.00 1.15 4.64 -0.45 -3.41 113.55 114.14 3gpd h SER 24 Ca -0.09 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3gpd h SER 24 Cb 0.68 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3gpd h SER 24 CO 0.14 -0.19 -0.49 1.23 -0.87 0.00 0.00 176.83 176.65 3gpd h GLY 25 N -0.50 0.00 0.00 -0.77 0.00 -1.51 -3.50 103.07 96.79 3gpd h GLY 25 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3gpd h GLY 25 CO 0.07 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.78 3gpd n LYS 26 N -4.62 0.00 -3.11 4.80 4.81 8.14 -4.82 118.16 123.37 3gpd n LYS 26 Ca -0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.17 3gpd n LYS 26 Cb 0.31 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.36 3gpd n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3gpd n VAL 27 N 0.00 -1.92 -2.69 3.15 0.31 -1.15 -3.44 118.33 112.59 3gpd n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gpd n VAL 27 Cb 0.00 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 3gpd n VAL 27 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3gpd n ASP 28 N -1.01 0.00 -3.22 4.52 10.43 -0.22 -2.90 116.55 124.15 3gpd n ASP 28 Ca -0.16 0.00 -0.19 0.00 2.57 0.00 0.00 54.79 57.01 3gpd n ASP 28 Cb 0.40 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.50 3gpd n ASP 28 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 3gpd n ILE 29 N 0.00 0.00 -0.79 0.53 -5.35 -1.26 -2.68 119.36 109.80 3gpd n ILE 29 Ca 0.00 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 3gpd n ILE 29 Cb 0.00 -1.59 0.00 0.00 -1.74 0.00 0.00 39.64 36.31 3gpd n ILE 29 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3gpd n VAL 30 N -3.34 0.00 0.00 7.28 0.24 -1.24 -2.57 118.33 118.70 3gpd n VAL 30 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3gpd n VAL 30 Cb 0.37 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3gpd n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gpd n ALA 31 N -3.00 0.00 -3.48 2.33 0.00 -1.05 -4.49 120.51 110.81 3gpd n ALA 31 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3gpd n ALA 31 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3gpd n ALA 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gpd s ILE 32 N -2.00 1.16 -0.45 0.00 1.01 0.25 -3.09 121.20 118.08 3gpd s ILE 32 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 3gpd s ILE 32 Cb 0.00 -1.06 0.12 0.00 0.01 0.00 0.00 42.46 41.53 3gpd s ILE 32 CO 0.00 0.36 0.28 0.21 0.00 0.00 0.00 174.94 175.79 3gpd s ASN 33 N 0.71 5.42 -0.38 3.58 2.47 -0.98 0.23 114.94 125.99 3gpd s ASN 33 Ca -0.14 -2.07 0.03 0.00 0.42 0.00 0.00 52.86 51.10 3gpd s ASN 33 Cb -0.16 -1.90 0.16 0.00 -1.45 0.00 0.00 41.25 37.90 3gpd s ASN 33 CO 0.03 -0.58 0.37 -0.62 -3.72 0.00 0.00 177.10 172.58 3gpd s ASP 34 N 2.02 1.30 0.27 -4.21 -1.08 0.69 -3.73 116.67 111.92 3gpd s ASP 34 Ca 0.08 -1.86 -0.30 0.00 -0.52 0.00 0.00 52.55 49.95 3gpd s ASP 34 Cb -0.24 0.39 -0.11 0.00 -1.46 0.00 0.00 42.92 41.50 3gpd s ASP 34 CO -0.03 -0.24 1.56 -2.16 0.52 0.00 0.00 175.17 174.81 3gpd s PRO 35 N 1.17 4.16 -0.38 4.34 0.05 0.10 -3.71 135.00 140.74 3gpd s PRO 35 Ca 0.20 2.50 -0.13 0.00 0.05 0.00 0.00 61.00 63.61 3gpd s PRO 35 Cb -0.14 -3.05 0.02 0.00 0.05 0.00 0.00 34.50 31.38 3gpd s PRO 35 CO -0.04 -0.58 0.49 1.19 0.05 0.00 0.00 177.00 178.12 3gpd n PHE 36 N 2.35 -3.17 0.00 0.56 3.01 -1.26 -5.02 117.46 113.93 3gpd n PHE 36 Ca 0.08 1.29 0.00 0.00 1.01 0.00 0.00 57.45 59.83 3gpd n PHE 36 Cb 0.38 -3.82 0.00 0.00 -0.01 0.00 0.00 39.48 36.03 3gpd n PHE 36 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3gpd n ILE 37 N -0.25 0.00 -2.80 4.37 2.08 -1.24 -5.06 119.36 116.47 3gpd n ILE 37 Ca 0.10 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.12 3gpd n ILE 37 Cb 0.38 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.25 3gpd n ILE 37 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3gpd s ASP 38 N 0.00 6.38 0.00 4.38 3.68 -1.26 -4.77 116.67 125.08 3gpd s ASP 38 Ca 0.00 0.98 0.00 0.00 2.13 0.00 0.00 52.55 55.66 3gpd s ASP 38 Cb 0.00 -2.26 0.00 0.00 -1.45 0.00 0.00 42.92 39.21 3gpd s ASP 38 CO 0.00 -0.47 0.00 0.18 0.13 0.00 0.00 175.17 175.01 3gpd n LEU 39 N -1.77 0.00 -0.31 -1.34 4.32 -1.26 0.13 117.00 116.78 3gpd n LEU 39 Ca 0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.96 3gpd n LEU 39 Cb 0.55 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.42 3gpd n LEU 39 CO 0.51 0.00 1.18 -0.74 -1.22 0.00 0.00 177.39 177.12 3gpd h HIS 40 N 0.00 1.11 -0.58 -1.77 -0.00 -1.98 -3.20 115.15 108.73 3gpd h HIS 40 Ca 0.00 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.47 3gpd h HIS 40 Cb 0.00 -0.36 -0.09 0.00 -0.00 0.00 0.00 27.41 26.96 3gpd h HIS 40 CO 0.00 0.74 0.10 1.88 -0.00 0.00 0.00 177.93 180.66 3gpd h TYR 41 N 1.15 0.16 -0.96 5.26 0.05 0.72 0.29 116.97 123.64 3gpd h TYR 41 Ca 0.30 0.04 0.20 0.00 0.05 0.00 0.00 58.73 59.32 3gpd h TYR 41 Cb -0.03 0.02 -0.11 0.00 1.01 0.00 0.00 36.73 37.61 3gpd h TYR 41 CO -0.00 -0.05 0.54 0.52 -1.05 0.00 0.00 178.16 178.12 3gpd h MET 42 N 0.23 0.60 0.51 4.88 2.86 -1.51 2.01 114.93 124.50 3gpd h MET 42 Ca 0.30 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 3gpd h MET 42 Cb 0.45 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3gpd h MET 42 CO -0.41 0.40 -0.24 -0.24 1.06 0.00 0.00 176.91 177.48 3gpd h VAL 43 N 0.62 0.50 0.14 -2.22 3.04 -0.54 -2.40 116.25 115.40 3gpd h VAL 43 Ca 0.57 -0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.25 3gpd h VAL 43 Cb 0.98 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3gpd h VAL 43 CO -0.43 0.00 -0.07 0.22 -1.01 0.00 0.00 177.57 176.28 3gpd h TYR 44 N -0.68 -0.18 0.27 3.17 5.03 -0.71 -1.94 116.97 121.93 3gpd h TYR 44 Ca -0.07 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.24 3gpd h TYR 44 Cb 0.52 0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.83 3gpd h TYR 44 CO -0.04 0.13 -0.36 1.98 -1.32 0.00 0.00 178.16 178.55 3gpd h MET 45 N -0.49 -0.66 -0.08 1.82 4.05 0.30 1.68 114.93 121.56 3gpd h MET 45 Ca -0.02 0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3gpd h MET 45 Cb 0.38 0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 3gpd h MET 45 CO 0.03 -0.44 0.03 0.35 0.23 0.00 0.00 176.91 177.12 3gpd h PHE 46 N -0.68 0.12 -0.53 1.39 3.57 -1.56 -3.10 116.94 116.14 3gpd h PHE 46 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3gpd h PHE 46 Cb 0.65 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 3gpd h PHE 46 CO -0.25 0.24 0.27 0.37 -2.23 0.00 0.00 178.31 176.71 3gpd h GLN 47 N -0.03 0.50 -4.89 1.11 4.15 -0.87 -3.42 115.11 111.66 3gpd h GLN 47 Ca 0.03 -0.03 -0.66 0.00 0.77 0.00 0.00 58.65 58.76 3gpd h GLN 47 Cb 0.17 -0.11 -0.24 0.00 0.21 0.00 0.00 27.48 27.51 3gpd h GLN 47 CO -0.00 0.33 -0.63 0.71 -1.93 0.00 0.00 178.83 177.31 3gpd s TYR 48 N -6.12 3.10 -0.16 3.99 1.51 0.57 0.27 117.35 120.50 3gpd s TYR 48 Ca -0.13 -0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 55.24 3gpd s TYR 48 Cb 0.14 -2.24 0.06 0.00 -0.11 0.00 0.00 41.96 39.80 3gpd s TYR 48 CO 0.74 -0.45 0.07 -0.51 -1.11 0.00 0.00 175.55 174.29 3gpd s ASP 49 N 1.57 2.34 0.44 2.29 1.01 -0.52 -4.68 116.67 119.13 3gpd s ASP 49 Ca 0.05 -0.58 0.27 0.00 0.71 0.00 0.00 52.55 53.01 3gpd s ASP 49 Cb -0.16 -0.34 1.33 0.00 1.01 0.00 0.00 42.92 44.76 3gpd s ASP 49 CO 0.03 -0.32 1.71 0.28 0.21 0.00 0.00 175.17 177.07 3gpd h SER 50 N 8.37 0.28 0.02 0.27 0.02 -1.97 0.85 113.55 121.39 3gpd h SER 50 Ca -0.15 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3gpd h SER 50 Cb 1.14 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3gpd h SER 50 CO 0.29 -0.04 -0.19 0.00 -1.14 0.00 0.00 176.83 175.75 3gpd h THR 51 N 0.19 1.70 0.00 -2.27 1.03 -2.03 -3.40 112.91 108.13 3gpd h THR 51 Ca 0.70 -2.36 0.00 0.00 -0.01 0.00 0.00 66.41 64.74 3gpd h THR 51 Cb 2.16 3.30 0.00 0.00 -1.07 0.00 0.00 68.15 72.53 3gpd h THR 51 CO -0.29 0.61 -0.97 1.41 -0.01 0.00 0.00 175.52 176.27 3gpd n HIS 52 N -4.53 0.00 0.00 0.00 8.25 -0.85 -4.99 115.22 113.09 3gpd n HIS 52 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3gpd n HIS 52 Cb 0.54 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3gpd n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gpd n GLY 53 N 1.42 0.08 1.34 -1.41 0.00 0.24 -5.05 105.19 101.82 3gpd n GLY 53 Ca 0.02 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 3gpd n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gpd n LYS 54 N 0.00 1.22 0.00 1.61 4.81 -1.26 -1.44 118.16 123.10 3gpd n LYS 54 Ca 0.00 -1.38 0.00 0.00 -0.87 0.00 0.00 58.31 56.06 3gpd n LYS 54 Cb 0.00 0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3gpd n LYS 54 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3gpd n PHE 55 N -0.43 0.00 0.00 5.64 -0.00 0.75 -4.83 117.46 118.59 3gpd n PHE 55 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 3gpd n PHE 55 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.72 3gpd n PHE 55 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3gpd n HIS 56 N 0.00 0.00 0.00 -5.13 8.25 -1.26 -5.05 115.22 112.03 3gpd n HIS 56 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gpd n HIS 56 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3gpd n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gpd n GLY 57 N -0.26 0.31 0.00 -1.41 0.00 -1.26 -4.39 105.19 98.18 3gpd n GLY 57 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 3gpd n GLY 57 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gpd n THR 58 N 0.00 0.00 -3.44 2.61 5.66 -1.26 -5.07 114.28 112.79 3gpd n THR 58 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 3gpd n THR 58 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 3gpd n THR 58 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gpd s VAL 59 N -1.66 0.56 0.27 1.08 0.11 -1.26 -2.44 120.40 117.06 3gpd s VAL 59 Ca 0.00 -2.78 0.09 0.00 -2.93 0.00 0.00 61.98 56.36 3gpd s VAL 59 Cb 0.00 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 3gpd s VAL 59 CO 0.00 -1.21 -0.12 -0.75 -3.33 0.00 0.00 175.10 169.69 3gpd s LYS 60 N -0.06 1.55 -0.23 1.54 2.47 -1.14 -4.77 119.74 119.10 3gpd s LYS 60 Ca 0.32 -1.75 0.01 0.00 -1.56 0.00 0.00 55.97 53.00 3gpd s LYS 60 Cb 0.03 -1.36 0.04 0.00 -1.46 0.00 0.00 37.83 35.08 3gpd s LYS 60 CO -0.19 0.16 -0.13 0.00 0.16 0.00 0.00 175.35 175.35 3gpd s ALA 61 N -2.83 2.52 0.00 3.13 0.00 -1.26 0.21 121.76 123.52 3gpd s ALA 61 Ca 0.28 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3gpd s ALA 61 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3gpd s ALA 61 CO 0.12 -0.83 0.00 0.39 0.00 0.00 0.00 175.76 175.44 3gpd n GLU 62 N 4.55 1.06 -1.86 0.00 1.02 -1.18 -4.95 120.64 119.27 3gpd n GLU 62 Ca -0.17 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.54 3gpd n GLU 62 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.85 3gpd n GLU 62 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gpd s ASP 63 N -0.57 6.07 0.00 1.62 3.68 -1.26 -4.09 116.67 122.12 3gpd s ASP 63 Ca 0.00 1.89 0.00 0.00 2.13 0.00 0.00 52.55 56.57 3gpd s ASP 63 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 3gpd s ASP 63 CO 0.00 -1.47 0.00 0.61 0.13 0.00 0.00 175.17 174.44 3gpd n GLY 64 N 5.04 0.53 0.00 2.66 0.00 -1.26 -4.76 105.19 107.40 3gpd n GLY 64 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3gpd n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gpd n LYS 65 N -0.52 0.62 -4.35 1.61 2.85 -1.26 -4.38 118.16 112.74 3gpd n LYS 65 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 3gpd n LYS 65 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 3gpd n LYS 65 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3gpd s LEU 66 N 0.00 3.18 -0.49 -5.58 2.96 -0.14 -3.12 118.68 115.50 3gpd s LEU 66 Ca 0.00 -0.22 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 3gpd s LEU 66 Cb 0.00 -1.88 0.10 0.00 0.50 0.00 0.00 46.19 44.91 3gpd s LEU 66 CO 0.00 0.24 0.40 0.68 -1.32 0.00 0.00 176.35 176.35 3gpd s VAL 67 N -1.11 4.85 -0.83 1.68 -7.23 0.57 -0.38 120.40 117.96 3gpd s VAL 67 Ca 0.20 -1.43 -0.21 0.00 -1.81 0.00 0.00 61.98 58.73 3gpd s VAL 67 Cb -0.11 -4.05 0.09 0.00 0.56 0.00 0.00 36.38 32.87 3gpd s VAL 67 CO 0.11 -0.72 1.11 -0.63 -0.31 0.00 0.00 175.10 174.67 3gpd s ILE 68 N 1.53 4.42 -1.47 -0.62 -1.09 -1.21 -2.90 121.20 119.86 3gpd s ILE 68 Ca 0.04 -0.92 -0.00 0.00 -2.23 0.00 0.00 60.65 57.54 3gpd s ILE 68 Cb -0.27 -4.78 0.00 0.00 -1.58 0.00 0.00 42.46 35.83 3gpd s ILE 68 CO 0.03 -1.56 0.00 -0.67 -1.23 0.00 0.00 174.94 171.51 3gpd n ASP 69 N 7.42 -5.06 0.00 3.58 -0.08 -1.02 -1.39 116.55 119.99 3gpd n ASP 69 Ca 0.13 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 3gpd n ASP 69 Cb 0.48 -4.24 0.00 0.00 2.34 0.00 0.00 41.12 39.70 3gpd n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gpd n GLY 70 N -0.93 2.44 3.51 0.27 0.00 -1.25 -4.95 105.19 104.28 3gpd n GLY 70 Ca -0.20 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 3gpd n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gpd n LYS 71 N 0.00 0.10 -1.45 1.61 5.02 -0.49 -4.65 118.16 118.30 3gpd n LYS 71 Ca 0.00 -0.13 -0.45 0.00 -2.02 0.00 0.00 58.31 55.72 3gpd n LYS 71 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.38 3gpd n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gpd n ALA 72 N 8.16 0.36 -2.68 7.82 0.00 -1.26 -3.31 120.51 129.60 3gpd n ALA 72 Ca 0.64 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 3gpd n ALA 72 Cb 0.18 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 3gpd n ALA 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3gpd s ILE 73 N 8.62 4.24 0.22 0.00 2.07 0.49 -4.43 121.20 132.42 3gpd s ILE 73 Ca 1.28 -1.23 0.06 0.00 -1.41 0.00 0.00 60.65 59.36 3gpd s ILE 73 Cb -1.19 -3.43 -0.05 0.00 0.13 0.00 0.00 42.46 37.92 3gpd s ILE 73 CO 0.50 -0.25 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.31 3gpd s THR 74 N -2.17 1.45 -0.10 4.00 2.01 -1.26 -0.96 115.64 118.61 3gpd s THR 74 Ca 0.38 -2.12 0.01 0.00 0.31 0.00 0.00 61.69 60.27 3gpd s THR 74 Cb -0.08 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.25 3gpd s THR 74 CO 0.28 -0.47 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.12 3gpd s ILE 75 N -3.15 1.16 -0.18 1.82 1.10 -1.25 0.88 121.20 121.58 3gpd s ILE 75 Ca 0.25 -0.42 0.00 0.00 -0.51 0.00 0.00 60.65 59.97 3gpd s ILE 75 Cb 0.03 -1.11 0.01 0.00 0.15 0.00 0.00 42.46 41.54 3gpd s ILE 75 CO 0.08 0.38 -0.18 -0.36 -2.11 0.00 0.00 174.94 172.75 3gpd s PHE 76 N 1.23 2.80 0.00 3.50 0.40 0.62 -4.96 117.98 121.58 3gpd s PHE 76 Ca -0.03 -1.52 0.00 0.00 -0.60 0.00 0.00 56.93 54.78 3gpd s PHE 76 Cb -0.14 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.45 3gpd s PHE 76 CO -0.03 -0.76 0.23 1.04 0.70 0.00 0.00 175.22 176.39 3gpd n GLN 77 N 4.62 0.00 -1.65 0.44 6.02 -1.26 0.25 117.38 125.79 3gpd n GLN 77 Ca -0.21 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3gpd n GLN 77 Cb 0.50 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.80 3gpd n GLN 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3gpd n GLU 78 N -1.48 -1.44 -3.78 -1.09 -0.58 -1.26 0.03 120.64 111.05 3gpd n GLU 78 Ca 0.00 1.01 -0.35 0.00 -0.42 0.00 0.00 57.16 57.40 3gpd n GLU 78 Cb 0.00 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.29 3gpd n GLU 78 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3gpd s ARG 79 N -0.22 2.26 0.00 3.49 0.52 -1.26 -3.69 118.95 120.06 3gpd s ARG 79 Ca 0.00 -2.27 0.00 0.00 -0.52 0.00 0.00 55.73 52.94 3gpd s ARG 79 Cb 0.00 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 31.86 3gpd s ARG 79 CO 0.00 -1.12 0.00 -3.47 0.02 0.00 0.00 175.30 170.73 3gpd n ASP 80 N 3.86 0.00 -0.13 0.23 4.64 -1.26 -4.87 116.55 119.02 3gpd n ASP 80 Ca 0.04 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.41 3gpd n ASP 80 Cb 0.39 0.00 0.03 0.00 -1.04 0.00 0.00 41.12 40.49 3gpd n ASP 80 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3gpd h PRO 81 N 0.00 0.06 -0.76 -0.67 0.10 -1.94 -1.36 132.00 127.44 3gpd h PRO 81 Ca 0.00 -0.00 0.19 0.00 0.10 0.00 0.00 66.00 66.28 3gpd h PRO 81 Cb 0.00 -0.01 -0.14 0.00 0.10 0.00 0.00 31.00 30.94 3gpd h PRO 81 CO 0.00 0.04 -0.06 0.39 0.10 0.00 0.00 178.00 178.47 3gpd n GLU 82 N -5.25 -0.06 -0.22 1.05 -0.58 -1.26 0.20 120.64 114.51 3gpd n GLU 82 Ca 0.03 1.15 -0.06 0.00 -0.42 0.00 0.00 57.16 57.86 3gpd n GLU 82 Cb 0.22 -1.79 0.04 0.00 -0.57 0.00 0.00 31.44 29.35 3gpd n GLU 82 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3gpd h ASN 83 N 0.00 0.74 -3.87 1.62 -0.26 -1.58 -3.37 115.58 108.86 3gpd h ASN 83 Ca 0.42 -0.04 -0.51 0.00 -0.56 0.00 0.00 56.30 55.62 3gpd h ASN 83 Cb 0.80 -0.19 0.04 0.00 -1.06 0.00 0.00 38.32 37.91 3gpd h ASN 83 CO -0.74 0.56 0.51 -0.51 -1.06 0.00 0.00 177.43 176.19 3gpd s ILE 84 N -6.07 3.26 0.00 2.81 1.10 0.52 -5.02 121.20 117.80 3gpd s ILE 84 Ca -0.13 1.19 0.00 0.00 -0.51 0.00 0.00 60.65 61.20 3gpd s ILE 84 Cb 0.13 -3.72 0.00 0.00 0.15 0.00 0.00 42.46 39.02 3gpd s ILE 84 CO 0.77 0.22 0.00 0.29 -2.11 0.00 0.00 174.94 174.10 3gpd n LYS 85 N 0.70 0.00 0.00 3.50 4.01 -1.26 -4.46 118.16 120.65 3gpd n LYS 85 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 3gpd n LYS 85 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 3gpd n LYS 85 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 3gpd n TRP 86 N 0.00 0.00 0.30 2.13 5.03 -1.26 -3.37 117.44 120.26 3gpd n TRP 86 Ca 0.00 0.00 0.17 0.00 3.03 0.00 0.00 57.50 60.70 3gpd n TRP 86 Cb 0.00 0.00 0.68 0.00 -1.03 0.00 0.00 31.31 30.96 3gpd n TRP 86 CO 0.00 0.00 0.00 0.78 -0.03 0.00 0.00 177.69 178.44 3gpd h GLY 87 N 0.00 0.00 -6.99 6.99 0.00 -1.89 -3.27 103.07 97.91 3gpd h GLY 87 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3gpd h GLY 87 CO 0.00 0.00 1.08 0.99 0.00 0.00 0.00 176.54 178.61 3gpd s ASP 88 N -5.48 6.21 0.00 0.19 -0.00 -1.26 0.90 116.67 117.23 3gpd s ASP 88 Ca 0.01 0.41 0.00 0.00 -0.00 0.00 0.00 52.55 52.97 3gpd s ASP 88 Cb 0.09 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.47 3gpd s ASP 88 CO 0.52 -1.62 0.00 0.00 -0.00 0.00 0.00 175.17 174.07 3gpd n ALA 89 N 9.28 0.00 -1.96 5.23 0.00 -1.26 -4.73 120.51 127.07 3gpd n ALA 89 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 3gpd n ALA 89 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3gpd n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gpd n GLY 90 N 0.00 -0.52 2.86 0.00 0.00 0.26 -4.96 105.19 102.82 3gpd n GLY 90 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3gpd n GLY 90 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gpd s THR 91 N -3.01 2.52 -0.99 2.61 -1.32 -1.23 -4.86 115.64 109.36 3gpd s THR 91 Ca 0.01 -3.82 0.15 0.00 -1.21 0.00 0.00 61.69 56.82 3gpd s THR 91 Cb -0.00 -2.69 0.13 0.00 -1.51 0.00 0.00 72.50 68.43 3gpd s THR 91 CO 0.22 -0.97 1.49 0.00 -2.21 0.00 0.00 174.62 173.15 3gpd n ALA 92 N 2.40 1.70 -3.71 11.08 0.00 -1.26 -4.18 120.51 126.55 3gpd n ALA 92 Ca 0.16 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 3gpd n ALA 92 Cb 0.35 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.41 3gpd n ALA 92 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gpd s TYR 93 N -3.01 1.65 0.06 0.00 1.51 -1.21 0.36 117.35 116.72 3gpd s TYR 93 Ca 0.07 -1.80 0.04 0.00 -1.01 0.00 0.00 57.07 54.37 3gpd s TYR 93 Cb 0.10 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 3gpd s TYR 93 CO 0.28 -0.86 -0.00 0.08 -1.11 0.00 0.00 175.55 173.94 3gpd s VAL 94 N 1.43 4.03 -0.08 0.71 1.01 -1.23 -2.33 120.40 123.95 3gpd s VAL 94 Ca 0.11 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3gpd s VAL 94 Cb -0.19 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.32 3gpd s VAL 94 CO -0.21 0.19 -0.15 0.54 0.00 0.00 0.00 175.10 175.47 3gpd s VAL 95 N -1.24 1.41 -0.50 2.92 0.11 -0.41 -0.89 120.40 121.79 3gpd s VAL 95 Ca 0.24 -0.63 -0.22 0.00 -2.93 0.00 0.00 61.98 58.44 3gpd s VAL 95 Cb -0.12 -1.26 0.04 0.00 -1.53 0.00 0.00 36.38 33.51 3gpd s VAL 95 CO 0.16 0.42 0.76 -1.61 -3.33 0.00 0.00 175.10 171.50 3gpd s GLU 96 N 0.62 3.27 0.00 1.54 2.02 0.18 -0.61 118.70 125.71 3gpd s GLU 96 Ca -0.15 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3gpd s GLU 96 Cb -0.16 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.04 3gpd s GLU 96 CO 0.04 -1.25 0.00 0.45 0.02 0.00 0.00 175.26 174.52 3gpd n SER 97 N 6.71 0.00 0.00 -0.19 2.88 0.39 -1.11 113.62 122.30 3gpd n SER 97 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 3gpd n SER 97 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3gpd n SER 97 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3gpd n THR 98 N 0.00 0.00 0.00 2.46 -1.04 -1.23 -4.70 114.28 109.77 3gpd n THR 98 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gpd n THR 98 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3gpd n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gpd n GLY 99 N 0.00 1.69 0.46 3.41 0.00 -1.26 -4.89 105.19 104.60 3gpd n GLY 99 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 3gpd n GLY 99 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gpd h VAL 100 N 0.00 0.11 -0.41 1.61 2.07 -2.02 -3.41 116.25 114.20 3gpd h VAL 100 Ca 0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 3gpd h VAL 100 Cb 0.00 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 3gpd h VAL 100 CO 0.00 0.00 1.04 0.49 0.02 0.00 0.00 177.57 179.12 3gpd n PHE 101 N -5.54 0.81 -4.23 1.57 3.72 -1.26 -4.81 117.46 107.72 3gpd n PHE 101 Ca -0.12 0.05 -0.19 0.00 -0.05 0.00 0.00 57.45 57.15 3gpd n PHE 101 Cb 0.44 -2.00 -0.15 0.00 -0.94 0.00 0.00 39.48 36.82 3gpd n PHE 101 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3gpd s THR 102 N 9.61 0.56 0.00 4.37 2.01 -1.26 -4.94 115.64 126.00 3gpd s THR 102 Ca 1.09 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.87 3gpd s THR 102 Cb -0.46 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3gpd s THR 102 CO 0.29 0.20 0.00 0.41 -0.69 0.00 0.00 174.62 174.83 3gpd n THR 103 N 3.46 0.00 -0.19 -0.82 -1.04 -1.26 -4.68 114.28 109.75 3gpd n THR 103 Ca -0.19 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.79 3gpd n THR 103 Cb 0.54 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.10 3gpd n THR 103 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 3gpd h MET 104 N 0.00 -0.04 0.00 -2.82 1.85 -1.97 0.25 114.93 112.20 3gpd h MET 104 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3gpd h MET 104 Cb 0.00 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.04 3gpd h MET 104 CO 0.00 -0.03 0.00 0.39 -0.40 0.00 0.00 176.91 176.87 3gpd n GLU 105 N -5.42 0.00 0.01 0.39 1.02 -1.26 -0.39 120.64 114.99 3gpd n GLU 105 Ca 0.06 0.93 -0.18 0.00 -0.02 0.00 0.00 57.16 57.94 3gpd n GLU 105 Cb 0.32 -1.39 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 3gpd n GLU 105 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3gpd h LYS 106 N 0.00 0.23 -0.86 3.49 1.57 -1.76 -2.96 116.57 116.28 3gpd h LYS 106 Ca 0.00 -0.37 0.22 0.00 -1.87 0.00 0.00 60.65 58.63 3gpd h LYS 106 Cb 0.00 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 32.31 3gpd h LYS 106 CO 0.00 1.16 0.25 0.00 -0.57 0.00 0.00 179.45 180.29 3gpd h ALA 107 N 0.09 1.26 -0.61 3.86 0.00 -0.92 2.20 119.26 125.14 3gpd h ALA 107 Ca -0.10 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3gpd h ALA 107 Cb 1.43 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 3gpd h ALA 107 CO 0.11 -0.43 0.40 0.78 0.00 0.00 0.00 179.25 180.11 3gpd h GLY 108 N 0.24 0.82 -0.12 0.00 0.00 -0.77 -3.19 103.07 100.05 3gpd h GLY 108 Ca 0.54 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.60 3gpd h GLY 108 CO -0.62 0.27 -0.41 0.00 0.00 0.00 0.00 176.54 175.78 3gpd h ALA 109 N 1.64 -0.77 -0.63 3.60 0.00 0.38 -1.55 119.26 121.94 3gpd h ALA 109 Ca 0.24 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.32 3gpd h ALA 109 Cb 0.02 0.92 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 3gpd h ALA 109 CO -0.06 -0.92 0.17 1.58 0.00 0.00 0.00 179.25 180.02 3gpd n HIS 110 N -4.71 0.56 -0.30 0.00 -0.00 -1.15 0.31 115.22 109.93 3gpd n HIS 110 Ca -0.04 0.75 0.10 0.00 0.46 0.00 0.00 57.72 58.98 3gpd n HIS 110 Cb 0.28 -1.07 0.26 0.00 -0.12 0.00 0.00 29.99 29.34 3gpd n HIS 110 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 3gpd h LEU 111 N 0.00 0.40 -0.62 0.27 3.38 -1.43 3.99 115.31 121.31 3gpd h LEU 111 Ca 0.45 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.46 3gpd h LEU 111 Cb 1.08 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3gpd h LEU 111 CO -0.54 0.10 -0.44 0.11 0.09 0.00 0.00 178.44 177.76 3gpd h LYS 112 N 0.49 0.00 -0.59 1.13 1.79 0.48 -2.87 116.57 117.00 3gpd h LYS 112 Ca 0.51 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.98 3gpd h LYS 112 Cb 0.86 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.48 3gpd h LYS 112 CO -0.45 0.44 0.39 0.78 -1.08 0.00 0.00 179.45 179.53 3gpd h GLY 113 N 2.54 0.83 0.00 3.86 0.00 0.80 -3.47 103.07 107.63 3gpd h GLY 113 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3gpd h GLY 113 CO 0.06 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.51 3gpd n GLY 114 N -1.45 -2.35 1.39 4.60 0.00 0.13 -4.40 105.19 103.12 3gpd n GLY 114 Ca 0.06 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3gpd n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpd n ALA 115 N 0.00 0.00 -1.00 4.61 0.00 -1.23 -4.66 120.51 118.22 3gpd n ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gpd n ALA 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gpd n ALA 115 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gpd n LYS 116 N 0.00 0.00 -4.10 0.00 4.76 -1.23 -4.85 118.16 112.74 3gpd n LYS 116 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 3gpd n LYS 116 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 3gpd n LYS 116 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3gpd s ARG 117 N 0.00 2.45 -0.10 1.97 1.81 0.16 -4.73 118.95 120.51 3gpd s ARG 117 Ca 0.00 -1.45 -0.05 0.00 -1.72 0.00 0.00 55.73 52.51 3gpd s ARG 117 Cb 0.00 -2.25 0.05 0.00 -0.45 0.00 0.00 34.95 32.30 3gpd s ARG 117 CO 0.00 0.18 0.23 -1.50 -0.68 0.00 0.00 175.30 173.53 3gpd s ILE 118 N -2.37 -0.14 -0.01 1.52 2.07 -1.12 -3.51 121.20 117.64 3gpd s ILE 118 Ca 0.37 0.19 -0.03 0.00 -1.41 0.00 0.00 60.65 59.77 3gpd s ILE 118 Cb -0.04 -0.37 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 3gpd s ILE 118 CO 0.23 0.08 0.19 0.54 -1.91 0.00 0.00 174.94 174.06 3gpd s VAL 119 N 1.57 5.43 -0.15 4.00 0.11 -0.07 -2.60 120.40 128.68 3gpd s VAL 119 Ca -0.06 -0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 3gpd s VAL 119 Cb -0.11 -3.54 -0.01 0.00 -1.53 0.00 0.00 36.38 31.19 3gpd s VAL 119 CO -0.08 0.34 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.30 3gpd s ILE 120 N -1.31 3.22 -1.27 7.04 1.01 -0.41 0.47 121.20 129.94 3gpd s ILE 120 Ca 0.27 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3gpd s ILE 120 Cb -0.13 -2.38 0.11 0.00 0.01 0.00 0.00 42.46 40.07 3gpd s ILE 120 CO 0.18 0.50 1.64 -1.54 0.00 0.00 0.00 174.94 175.72 3gpd n SER 121 N 3.81 5.03 0.00 3.58 3.41 -0.27 -2.30 113.62 126.88 3gpd n SER 121 Ca -0.18 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 3gpd n SER 121 Cb 0.52 -1.67 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 3gpd n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpd n ALA 122 N 7.12 0.00 -0.44 7.33 0.00 -1.25 -4.72 120.51 128.55 3gpd n ALA 122 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.75 3gpd n ALA 122 Cb 0.44 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.10 3gpd n ALA 122 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gpd n PRO 123 N -1.84 -3.83 -3.61 0.00 -0.01 -1.26 -4.59 135.00 119.85 3gpd n PRO 123 Ca 0.00 -1.05 -0.14 0.00 -0.01 0.00 0.00 63.50 62.31 3gpd n PRO 123 Cb 0.00 -1.41 -0.07 0.00 -0.01 0.00 0.00 33.50 32.01 3gpd n PRO 123 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 3gpd s SER 124 N -2.72 -0.66 0.00 2.55 0.15 -1.26 -4.80 113.70 106.96 3gpd s SER 124 Ca 0.48 1.19 0.00 0.00 0.70 0.00 0.00 55.95 58.32 3gpd s SER 124 Cb -0.08 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 3gpd s SER 124 CO 0.40 -0.29 0.56 0.00 1.20 0.00 0.00 173.24 175.11 3gpd n ALA 125 N 2.26 -0.04 -2.88 5.45 0.00 -1.26 -4.68 120.51 119.35 3gpd n ALA 125 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 3gpd n ALA 125 Cb 0.56 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 3gpd n ALA 125 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3gpd s ASP 126 N -2.28 6.39 0.00 0.00 3.84 -1.26 -5.04 116.67 118.32 3gpd s ASP 126 Ca 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 52.55 52.95 3gpd s ASP 126 Cb 0.00 -2.03 0.00 0.00 -1.38 0.00 0.00 42.92 39.51 3gpd s ASP 126 CO 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 175.17 175.47 3gpd n ALA 127 N 1.23 0.00 -1.78 2.11 0.00 -1.26 -3.61 120.51 117.20 3gpd n ALA 127 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 3gpd n ALA 127 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 3gpd n ALA 127 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gpd s PRO 128 N -3.74 4.09 -0.05 0.00 0.05 -1.26 -4.96 135.00 129.14 3gpd s PRO 128 Ca 0.00 2.60 0.02 0.00 0.05 0.00 0.00 61.00 63.66 3gpd s PRO 128 Cb 0.00 -2.97 0.02 0.00 0.05 0.00 0.00 34.50 31.60 3gpd s PRO 128 CO 0.00 -0.57 -0.08 1.41 0.05 0.00 0.00 177.00 177.82 3gpd s MET 129 N -1.95 1.10 0.27 4.56 1.75 -1.26 -2.99 119.30 120.77 3gpd s MET 129 Ca 0.54 -0.23 -0.02 0.00 -1.25 0.00 0.00 55.69 54.73 3gpd s MET 129 Cb -0.47 -1.00 -0.02 0.00 2.84 0.00 0.00 34.83 36.18 3gpd s MET 129 CO 0.62 -0.01 0.31 -0.06 -0.65 0.00 0.00 175.02 175.23 3gpd s PHE 130 N 0.69 1.11 0.03 4.11 0.40 0.90 -4.79 117.98 120.43 3gpd s PHE 130 Ca -0.11 -1.29 -0.25 0.00 -0.60 0.00 0.00 56.93 54.67 3gpd s PHE 130 Cb -0.14 -0.34 0.06 0.00 0.51 0.00 0.00 43.02 43.11 3gpd s PHE 130 CO 0.01 -0.87 0.58 0.54 0.70 0.00 0.00 175.22 176.19 3gpd s VAL 131 N -3.73 0.01 0.21 -0.44 0.11 -1.26 0.76 120.40 116.06 3gpd s VAL 131 Ca 0.34 -0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 59.17 3gpd s VAL 131 Cb 0.03 -0.98 0.16 0.00 -1.53 0.00 0.00 36.38 34.07 3gpd s VAL 131 CO 0.17 -0.07 1.87 0.24 -3.33 0.00 0.00 175.10 173.98 3gpd h MET 132 N 2.76 1.04 0.09 1.54 2.86 -1.94 0.25 114.93 121.53 3gpd h MET 132 Ca -0.30 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3gpd h MET 132 Cb 1.20 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 3gpd h MET 132 CO 0.40 0.71 -0.24 0.78 1.06 0.00 0.00 176.91 179.62 3gpd h GLY 133 N 1.06 -1.15 2.00 8.32 0.00 -1.96 -2.36 103.07 108.98 3gpd h GLY 133 Ca 0.28 0.55 0.00 0.00 0.00 0.00 0.00 47.33 48.16 3gpd h GLY 133 CO -0.06 -0.36 0.00 -0.39 0.00 0.00 0.00 176.54 175.73 3gpd h VAL 134 N -0.37 0.00 -0.80 4.60 -1.51 -1.88 -3.45 116.25 112.85 3gpd h VAL 134 Ca -0.01 -0.65 0.12 0.00 -1.23 0.00 0.00 66.70 64.92 3gpd h VAL 134 Cb 0.36 1.62 -0.12 0.00 -2.13 0.00 0.00 31.29 31.02 3gpd h VAL 134 CO -0.11 0.00 -0.34 -0.46 -1.23 0.00 0.00 177.57 175.43 3gpd n ASN 135 N -2.86 -0.57 0.00 4.19 6.94 0.87 -4.84 115.26 119.00 3gpd n ASN 135 Ca 0.03 1.40 0.00 0.00 -0.02 0.00 0.00 54.58 55.99 3gpd n ASN 135 Cb 0.40 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 3gpd n ASN 135 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3gpd n HIS 136 N -5.15 -0.03 0.29 -2.53 8.25 -1.26 -2.56 115.22 112.22 3gpd n HIS 136 Ca 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 3gpd n HIS 136 Cb 0.30 0.04 0.37 0.00 1.12 0.00 0.00 29.99 31.82 3gpd n HIS 136 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gpd n PHE 137 N 0.00 0.42 -0.21 4.41 7.35 -1.26 -3.24 117.46 124.93 3gpd n PHE 137 Ca 0.00 0.19 -0.05 0.00 -0.76 0.00 0.00 57.45 56.82 3gpd n PHE 137 Cb 0.00 -0.80 -0.05 0.00 0.35 0.00 0.00 39.48 38.98 3gpd n PHE 137 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3gpd n LYS 138 N -1.90 -0.22 -2.13 -4.13 4.81 -1.06 -4.19 118.16 109.34 3gpd n LYS 138 Ca 0.01 0.77 -0.42 0.00 -0.87 0.00 0.00 58.31 57.81 3gpd n LYS 138 Cb 0.12 -1.14 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 3gpd n LYS 138 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3gpd s TYR 139 N -5.27 3.21 -0.25 5.64 5.04 -1.20 -5.02 117.35 119.51 3gpd s TYR 139 Ca -0.06 0.90 -0.20 0.00 -2.44 0.00 0.00 57.07 55.26 3gpd s TYR 139 Cb 0.06 -3.73 0.07 0.00 0.35 0.00 0.00 41.96 38.71 3gpd s TYR 139 CO 0.32 -2.56 0.64 0.00 -1.34 0.00 0.00 175.55 172.61 3gpd s ALA 140 N 1.10 -1.63 0.01 3.97 0.00 -1.26 -5.06 121.76 118.89 3gpd s ALA 140 Ca 0.65 1.94 0.00 0.00 0.00 0.00 0.00 51.96 54.56 3gpd s ALA 140 Cb -0.38 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.63 3gpd s ALA 140 CO 0.30 -0.32 0.04 0.09 0.00 0.00 0.00 175.76 175.87 3gpd n ASN 141 N 3.20 0.00 0.23 0.00 5.03 -1.26 -0.57 115.26 121.89 3gpd n ASN 141 Ca -0.16 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.33 3gpd n ASN 141 Cb 0.56 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 3gpd n ASN 141 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3gpd n SER 142 N -3.47 0.00 -4.75 6.41 2.88 -1.26 -3.62 113.62 109.81 3gpd n SER 142 Ca 0.01 0.35 -0.37 0.00 -1.33 0.00 0.00 58.87 57.52 3gpd n SER 142 Cb 0.02 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 3gpd n SER 142 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3gpd s LEU 143 N -3.79 4.30 -0.02 2.46 1.02 0.26 -4.89 118.68 118.02 3gpd s LEU 143 Ca 0.00 0.67 -0.00 0.00 0.02 0.00 0.00 54.13 54.82 3gpd s LEU 143 Cb 0.00 -2.49 -0.01 0.00 0.02 0.00 0.00 46.19 43.70 3gpd s LEU 143 CO 0.00 0.12 -0.02 1.17 0.02 0.00 0.00 176.35 177.64 3gpd n LYS 144 N 3.26 0.05 -4.32 1.70 3.00 -1.24 -4.99 118.16 115.62 3gpd n LYS 144 Ca -0.11 0.01 -0.23 0.00 -0.00 0.00 0.00 58.31 57.99 3gpd n LYS 144 Cb 0.52 -0.90 -0.12 0.00 0.00 0.00 0.00 35.03 34.53 3gpd n LYS 144 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 3gpd s ILE 145 N -2.04 1.82 0.20 3.15 -4.36 -1.26 -2.80 121.20 115.91 3gpd s ILE 145 Ca -0.03 -1.79 -0.20 0.00 -0.26 0.00 0.00 60.65 58.37 3gpd s ILE 145 Cb 0.01 -1.76 0.04 0.00 1.25 0.00 0.00 42.46 41.99 3gpd s ILE 145 CO 0.05 -0.21 0.58 -0.51 0.24 0.00 0.00 174.94 175.09 3gpd s ILE 146 N -1.70 0.01 0.04 8.37 2.07 -1.07 -4.61 121.20 124.31 3gpd s ILE 146 Ca 0.13 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 58.76 3gpd s ILE 146 Cb -0.07 -1.52 -0.02 0.00 0.13 0.00 0.00 42.46 40.98 3gpd s ILE 146 CO 0.06 -0.06 -0.07 -0.55 -1.91 0.00 0.00 174.94 172.41 3gpd s SER 147 N -2.85 0.72 -0.32 4.50 0.15 -1.16 -1.29 113.70 113.45 3gpd s SER 147 Ca 0.07 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.13 3gpd s SER 147 Cb -0.02 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 3gpd s SER 147 CO -0.03 -0.23 0.06 0.21 1.20 0.00 0.00 173.24 174.45 3gpd s ASN 148 N -1.58 5.13 0.44 5.45 2.47 -0.97 -0.07 114.94 125.81 3gpd s ASN 148 Ca -0.11 -1.12 -0.08 0.00 0.42 0.00 0.00 52.86 51.97 3gpd s ASN 148 Cb -0.10 -1.82 -0.07 0.00 -1.45 0.00 0.00 41.25 37.82 3gpd s ASN 148 CO -0.00 -0.28 -0.35 0.00 -3.72 0.00 0.00 177.10 172.74 3gpd n ALA 149 N 4.76 -3.79 -0.70 1.71 0.00 0.23 -3.88 120.51 118.83 3gpd n ALA 149 Ca -0.13 -0.30 -0.32 0.00 0.00 0.00 0.00 53.44 52.69 3gpd n ALA 149 Cb 0.45 -0.52 0.16 0.00 0.00 0.00 0.00 19.45 19.54 3gpd n ALA 149 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gpd n SER 150 N 1.55 -2.12 -0.15 0.00 2.88 -1.26 -4.38 113.62 110.14 3gpd n SER 150 Ca -0.01 0.07 -0.06 0.00 -1.33 0.00 0.00 58.87 57.54 3gpd n SER 150 Cb 0.25 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 3gpd n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gpd h THR 152 N -0.19 1.37 0.00 0.00 2.02 -1.98 -3.27 112.91 110.86 3gpd h THR 152 Ca 0.21 -2.56 -0.04 0.00 0.77 0.00 0.00 66.41 64.79 3gpd h THR 152 Cb 0.53 3.09 -0.01 0.00 -1.74 0.00 0.00 68.15 70.02 3gpd h THR 152 CO -0.59 0.74 -0.19 0.74 0.37 0.00 0.00 175.52 176.59 3gpd h THR 153 N -0.23 0.77 0.00 3.16 2.02 -1.81 -2.05 112.91 114.77 3gpd h THR 153 Ca -0.20 -0.77 -0.17 0.00 0.77 0.00 0.00 66.41 66.05 3gpd h THR 153 Cb 1.80 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 3gpd h THR 153 CO 0.17 0.19 -0.79 -1.13 0.37 0.00 0.00 175.52 174.33 3gpd h ASN 154 N 0.00 0.00 0.31 4.18 -0.73 -0.48 -3.14 115.58 115.72 3gpd h ASN 154 Ca -0.00 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.92 3gpd h ASN 154 Cb 0.45 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.05 3gpd h ASN 154 CO 0.02 0.79 -1.03 0.00 -0.37 0.00 0.00 177.43 176.84 3gpd h LEU 156 N 0.23 0.71 -0.97 0.00 5.85 -1.48 -3.30 115.31 116.35 3gpd h LEU 156 Ca -0.11 -0.84 0.28 0.00 0.84 0.00 0.00 57.88 58.05 3gpd h LEU 156 Cb 1.68 -0.22 -0.18 0.00 0.37 0.00 0.00 40.66 42.31 3gpd h LEU 156 CO 0.18 1.48 0.08 0.00 -0.34 0.00 0.00 178.44 179.84 3gpd h ALA 157 N 0.25 1.24 0.68 1.25 0.00 -1.67 -0.64 119.26 120.37 3gpd h ALA 157 Ca -0.15 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gpd h ALA 157 Cb 1.72 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 3gpd h ALA 157 CO 0.19 -0.59 -0.46 -1.35 0.00 0.00 0.00 179.25 177.04 3gpd h PRO 158 N 0.03 -1.05 -0.89 0.00 0.11 -1.71 -2.63 132.00 125.85 3gpd h PRO 158 Ca 0.61 0.07 0.22 0.00 0.11 0.00 0.00 66.00 67.01 3gpd h PRO 158 Cb 1.28 0.24 -0.12 0.00 0.11 0.00 0.00 31.00 32.51 3gpd h PRO 158 CO -0.88 -0.70 0.39 1.25 -0.21 0.00 0.00 178.00 177.85 3gpd h LEU 159 N -1.09 0.33 0.47 2.35 5.85 -1.28 -2.64 115.31 119.30 3gpd h LEU 159 Ca -0.09 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3gpd h LEU 159 Cb 0.89 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3gpd h LEU 159 CO 0.06 -0.00 -0.26 0.00 -0.34 0.00 0.00 178.44 177.90 3gpd h ALA 160 N 1.71 -1.14 -0.75 1.25 0.00 -1.24 -1.13 119.26 117.96 3gpd h ALA 160 Ca 0.56 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.47 3gpd h ALA 160 Cb 1.05 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 3gpd h ALA 160 CO -0.53 -1.10 -0.18 -0.22 0.00 0.00 0.00 179.25 177.22 3gpd h LYS 161 N -0.67 0.00 -0.39 0.00 3.11 -1.10 0.83 116.57 118.35 3gpd h LYS 161 Ca -0.06 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 3gpd h LYS 161 Cb 0.53 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 3gpd h LYS 161 CO 0.09 0.00 0.08 0.28 -2.81 0.00 0.00 179.45 177.08 3gpd h VAL 162 N 0.00 1.19 0.00 2.00 2.07 -1.49 -3.00 116.25 117.02 3gpd h VAL 162 Ca 0.36 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3gpd h VAL 162 Cb 0.55 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3gpd h VAL 162 CO -0.77 0.24 -0.40 -0.29 0.02 0.00 0.00 177.57 176.38 3gpd h ILE 163 N 0.57 0.64 0.56 4.57 2.10 0.12 -3.29 117.51 122.79 3gpd h ILE 163 Ca 0.13 -1.59 -0.02 0.00 1.08 0.00 0.00 64.86 64.46 3gpd h ILE 163 Cb 0.25 1.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.28 3gpd h ILE 163 CO -0.00 0.22 -0.51 -0.74 -1.08 0.00 0.00 178.15 176.04 3gpd h HIS 164 N -1.00 -1.41 0.00 2.19 2.76 0.31 -0.56 115.15 117.44 3gpd h HIS 164 Ca -0.08 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 3gpd h HIS 164 Cb 0.66 0.54 -0.00 0.00 1.55 0.00 0.00 27.41 30.15 3gpd h HIS 164 CO 0.04 -0.69 -0.11 0.38 -1.30 0.00 0.00 177.93 176.24 3gpd h ASP 165 N -1.06 0.00 0.54 3.26 -0.00 -1.70 -2.41 116.42 115.05 3gpd h ASP 165 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 3gpd h ASP 165 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.23 3gpd h ASP 165 CO -0.03 0.11 -1.25 1.41 -0.00 0.00 0.00 179.24 179.48 3gpd n HIS 166 N -3.95 0.47 0.00 4.15 8.25 -1.12 -4.78 115.22 118.23 3gpd n HIS 166 Ca -0.02 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3gpd n HIS 166 Cb 0.21 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.67 3gpd n HIS 166 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gpd n PHE 167 N -2.30 0.00 0.00 4.41 3.01 -0.23 -4.97 117.46 117.37 3gpd n PHE 167 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3gpd n PHE 167 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 3gpd n PHE 167 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gpd n GLY 168 N 0.57 1.44 1.40 1.37 0.00 -0.94 -0.80 105.19 108.24 3gpd n GLY 168 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3gpd n GLY 168 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gpd n ILE 169 N 0.00 -5.64 -3.99 -0.61 5.41 -1.24 -4.70 119.36 108.60 3gpd n ILE 169 Ca 0.00 1.01 -0.26 0.00 1.00 0.00 0.00 62.75 64.50 3gpd n ILE 169 Cb 0.00 -3.93 -0.17 0.00 -0.71 0.00 0.00 39.64 34.83 3gpd n ILE 169 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3gpd s VAL 170 N -0.19 1.02 0.22 1.39 1.01 0.96 -4.83 120.40 119.98 3gpd s VAL 170 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3gpd s VAL 170 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3gpd s VAL 170 CO 0.00 0.36 0.00 -0.62 0.00 0.00 0.00 175.10 174.84 3gpd n GLU 171 N 4.79 -4.54 -3.67 2.72 1.02 -1.26 -2.96 120.64 116.75 3gpd n GLU 171 Ca -0.14 3.22 -0.09 0.00 -0.02 0.00 0.00 57.16 60.13 3gpd n GLU 171 Cb 0.50 -3.60 -0.09 0.00 -0.02 0.00 0.00 31.44 28.23 3gpd n GLU 171 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gpd s GLY 172 N -0.85 -0.45 0.29 0.62 0.00 -0.17 -2.15 107.32 104.61 3gpd s GLY 172 Ca 0.00 1.88 0.11 0.00 0.00 0.00 0.00 44.72 46.71 3gpd s GLY 172 CO 0.00 2.02 -0.17 1.08 0.00 0.00 0.00 173.10 176.04 3gpd s LEU 173 N 1.59 2.66 0.08 0.66 1.43 -0.79 -3.76 118.68 120.55 3gpd s LEU 173 Ca -0.09 -1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 51.88 3gpd s LEU 173 Cb -0.07 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 3gpd s LEU 173 CO -0.16 -0.01 0.18 -0.32 0.23 0.00 0.00 176.35 176.28 3gpd s MET 174 N -3.54 0.81 0.01 1.70 -2.45 -1.13 -0.89 119.30 113.80 3gpd s MET 174 Ca 0.31 -0.90 -0.00 0.00 -1.25 0.00 0.00 55.69 53.84 3gpd s MET 174 Cb -0.04 0.33 -0.01 0.00 1.25 0.00 0.00 34.83 36.36 3gpd s MET 174 CO 0.16 -0.25 -0.01 -0.08 1.05 0.00 0.00 175.02 175.89 3gpd s THR 175 N -3.62 0.06 -0.17 10.11 -1.32 -0.31 -2.23 115.64 118.16 3gpd s THR 175 Ca 0.03 -0.46 -0.00 0.00 -1.21 0.00 0.00 61.69 60.05 3gpd s THR 175 Cb 0.04 -0.15 0.04 0.00 -1.51 0.00 0.00 72.50 70.92 3gpd s THR 175 CO -0.10 -0.25 -0.06 0.28 -2.21 0.00 0.00 174.62 172.27 3gpd s THR 176 N -0.75 1.24 -0.91 5.08 -1.32 -1.02 -0.13 115.64 117.83 3gpd s THR 176 Ca -0.08 -0.73 -0.22 0.00 -1.21 0.00 0.00 61.69 59.45 3gpd s THR 176 Cb -0.05 -1.39 0.07 0.00 -1.51 0.00 0.00 72.50 69.62 3gpd s THR 176 CO -0.00 0.14 1.27 -0.69 -2.21 0.00 0.00 174.62 173.12 3gpd s VAL 177 N 1.57 4.18 0.39 5.08 1.01 -0.63 -0.75 120.40 131.27 3gpd s VAL 177 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3gpd s VAL 177 Cb -0.15 -4.91 -0.05 0.00 0.00 0.00 0.00 36.38 31.27 3gpd s VAL 177 CO -0.08 -1.74 0.69 -2.28 0.00 0.00 0.00 175.10 171.69 3gpd s HIS 178 N 4.29 3.50 0.36 5.22 2.46 -0.78 -1.32 115.29 129.03 3gpd s HIS 178 Ca 0.38 0.79 0.03 0.00 0.47 0.00 0.00 55.06 56.72 3gpd s HIS 178 Cb -0.05 -2.25 -0.01 0.00 -0.13 0.00 0.00 32.58 30.14 3gpd s HIS 178 CO -0.04 -0.06 0.54 0.00 -2.47 0.00 0.00 174.74 172.71 3gpd s ALA 179 N -2.41 3.91 0.40 1.58 0.00 -1.24 -2.23 121.76 121.78 3gpd s ALA 179 Ca 0.47 -1.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 3gpd s ALA 179 Cb -0.10 -1.94 -0.08 0.00 0.00 0.00 0.00 23.12 21.00 3gpd s ALA 179 CO 0.36 -0.11 1.14 0.96 0.00 0.00 0.00 175.76 178.10 3gpd s ILE 180 N -2.31 3.29 0.52 0.00 -4.36 0.46 -4.78 121.20 114.02 3gpd s ILE 180 Ca 0.44 1.05 0.03 0.00 -0.26 0.00 0.00 60.65 61.91 3gpd s ILE 180 Cb -0.10 -3.58 0.10 0.00 1.25 0.00 0.00 42.46 40.14 3gpd s ILE 180 CO 0.34 0.07 0.72 0.35 0.24 0.00 0.00 174.94 176.66 3gpd n THR 181 N 0.01 0.00 -0.00 8.37 -2.24 -1.26 -4.78 114.28 114.38 3gpd n THR 181 Ca 0.05 -1.35 -0.17 0.00 -2.27 0.00 0.00 64.05 60.30 3gpd n THR 181 Cb 0.47 -0.84 -0.09 0.00 -2.10 0.00 0.00 70.33 67.77 3gpd n THR 181 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gpd h ALA 182 N -0.25 0.17 0.00 6.98 0.00 -2.01 -3.30 119.26 120.85 3gpd h ALA 182 Ca -0.24 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3gpd h ALA 182 Cb 0.96 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3gpd h ALA 182 CO 0.29 0.49 0.00 0.25 0.00 0.00 0.00 179.25 180.28 3gpd n THR 183 N -4.10 0.68 -2.75 0.00 -2.24 -1.26 -4.83 114.28 99.79 3gpd n THR 183 Ca -0.09 0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3gpd n THR 183 Cb 0.70 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 3gpd n THR 183 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3gpd s GLN 184 N -3.12 4.68 0.18 -0.78 0.74 -1.25 -4.87 119.66 115.24 3gpd s GLN 184 Ca 0.08 1.42 0.06 0.00 0.05 0.00 0.00 55.36 56.98 3gpd s GLN 184 Cb 0.12 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 3gpd s GLN 184 CO 0.42 0.21 0.08 0.15 -0.55 0.00 0.00 175.29 175.59 3gpd s LYS 185 N 0.04 2.68 -0.11 1.67 1.02 -1.26 -4.92 119.74 118.86 3gpd s LYS 185 Ca 0.47 -0.99 -0.05 0.00 0.02 0.00 0.00 55.97 55.41 3gpd s LYS 185 Cb -0.23 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 3gpd s LYS 185 CO 0.29 0.46 0.08 0.95 -0.92 0.00 0.00 175.35 176.22 3gpd s THR 186 N -1.78 4.98 0.00 2.17 -4.23 -1.25 -2.68 115.64 112.86 3gpd s THR 186 Ca 0.30 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 3gpd s THR 186 Cb -0.10 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.59 3gpd s THR 186 CO 0.21 0.60 0.00 1.33 -0.54 0.00 0.00 174.62 176.22 3gpd n VAL 187 N 2.23 0.00 -4.26 2.29 0.24 -1.20 -4.91 118.33 112.71 3gpd n VAL 187 Ca -0.19 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.97 3gpd n VAL 187 Cb 0.54 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.81 3gpd n VAL 187 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3gpd s ASP 188 N -4.00 1.27 0.00 -1.34 -0.00 -1.26 -2.63 116.67 108.71 3gpd s ASP 188 Ca 0.00 -1.21 0.00 0.00 -0.00 0.00 0.00 52.55 51.34 3gpd s ASP 188 Cb 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 42.92 43.04 3gpd s ASP 188 CO 0.00 -0.59 0.00 -1.20 -0.00 0.00 0.00 175.17 173.38 3gpd n SER 189 N -0.30 0.00 0.00 0.27 7.64 0.73 -4.95 113.62 117.01 3gpd n SER 189 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 3gpd n SER 189 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 3gpd n SER 189 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3gpd n PRO 190 N 0.00 0.00 0.00 1.43 -0.01 -1.26 -4.73 135.00 130.43 3gpd n PRO 190 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 3gpd n PRO 190 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.49 3gpd n PRO 190 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 175.50 175.92 3gpd n SER 191 N 0.00 0.00 0.00 2.55 7.64 -1.26 -4.51 113.62 118.04 3gpd n SER 191 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3gpd n SER 191 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3gpd n SER 191 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gpd n GLY 192 N 0.00 0.85 2.13 0.23 0.00 -1.26 -5.04 105.19 102.10 3gpd n GLY 192 Ca 0.00 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 3gpd n GLY 192 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gpd n LYS 193 N 0.00 0.00 -0.10 1.61 2.85 -1.26 -0.60 118.16 120.65 3gpd n LYS 193 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3gpd n LYS 193 Cb 0.00 -0.87 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 3gpd n LYS 193 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3gpd n LEU 194 N 1.83 0.00 0.00 -5.58 -0.00 -1.26 -4.70 117.00 107.29 3gpd n LEU 194 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 3gpd n LEU 194 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 3gpd n LEU 194 CO 0.47 0.00 0.00 1.87 -0.00 0.00 0.00 177.39 179.73 3gpd n TRP 195 N -2.00 0.00 -0.92 1.96 -0.00 0.23 -4.88 117.44 111.82 3gpd n TRP 195 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3gpd n TRP 195 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3gpd n TRP 195 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3gpd n ARG 196 N 0.00 0.00 0.00 5.87 3.00 -1.26 -4.07 116.66 120.20 3gpd n ARG 196 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3gpd n ARG 196 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 32.46 29.90 3gpd n ARG 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gpd n GLY 197 N -2.51 1.27 3.12 -0.13 0.00 -1.26 -4.25 105.19 101.44 3gpd n GLY 197 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3gpd n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpd n GLY 198 N 0.00 -0.19 2.57 -0.02 0.00 -1.26 -4.51 105.19 101.78 3gpd n GLY 198 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3gpd n GLY 198 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gpd n ARG 199 N -2.40 2.14 0.00 1.61 0.63 -1.26 -0.20 116.66 117.18 3gpd n ARG 199 Ca 0.04 -4.11 0.00 0.00 -0.92 0.00 0.00 57.85 52.86 3gpd n ARG 199 Cb 0.25 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.21 3gpd n ARG 199 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gpd n GLY 200 N -0.02 -0.50 0.00 5.14 0.00 -1.08 -4.83 105.19 103.90 3gpd n GLY 200 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3gpd n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpd n ALA 201 N -0.06 0.00 0.48 4.61 0.00 -1.09 -3.26 120.51 121.18 3gpd n ALA 201 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3gpd n ALA 201 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 3gpd n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gpd h ALA 202 N 0.00 0.70 0.04 0.00 0.00 -1.94 -3.32 119.26 114.74 3gpd h ALA 202 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 3gpd h ALA 202 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3gpd h ALA 202 CO 0.00 0.00 -1.99 1.04 0.00 0.00 0.00 179.25 178.30 3gpd n GLN 203 N -2.33 0.65 -4.22 0.00 6.02 -1.26 -4.90 117.38 111.33 3gpd n GLN 203 Ca 0.03 0.33 -0.29 0.00 -0.01 0.00 0.00 57.00 57.07 3gpd n GLN 203 Cb 0.46 -1.64 -0.09 0.00 1.02 0.00 0.00 30.24 29.99 3gpd n GLN 203 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3gpd s ASN 204 N -6.98 4.50 -0.75 1.08 0.01 -1.26 -5.07 114.94 106.47 3gpd s ASN 204 Ca -0.30 -0.41 -0.19 0.00 -0.71 0.00 0.00 52.86 51.26 3gpd s ASN 204 Cb 0.08 -0.88 0.13 0.00 0.41 0.00 0.00 41.25 40.99 3gpd s ASN 204 CO 0.63 0.15 0.89 -0.22 -1.51 0.00 0.00 177.10 177.04 3gpd s LEU 205 N -2.49 5.34 -0.22 0.60 1.98 -1.26 -4.50 118.68 118.14 3gpd s LEU 205 Ca 0.24 -1.76 -0.29 0.00 -2.89 0.00 0.00 54.13 49.42 3gpd s LEU 205 Cb -0.10 -2.34 0.01 0.00 0.66 0.00 0.00 46.19 44.42 3gpd s LEU 205 CO 0.15 -1.07 1.03 -0.63 -1.89 0.00 0.00 176.35 173.95 3gpd s ILE 206 N 2.51 4.69 0.49 6.68 -1.09 0.17 -4.89 121.20 129.76 3gpd s ILE 206 Ca 0.21 2.03 -0.23 0.00 -2.23 0.00 0.00 60.65 60.42 3gpd s ILE 206 Cb -0.14 -4.31 -0.06 0.00 -1.58 0.00 0.00 42.46 36.36 3gpd s ILE 206 CO -0.01 -0.16 1.32 -2.16 -1.23 0.00 0.00 174.94 172.71 3gpd s PRO 207 N 3.06 3.48 0.08 2.79 0.05 -1.26 0.26 135.00 143.45 3gpd s PRO 207 Ca 0.44 2.16 -0.26 0.00 0.05 0.00 0.00 61.00 63.39 3gpd s PRO 207 Cb -0.15 -2.43 0.08 0.00 0.05 0.00 0.00 34.50 32.05 3gpd s PRO 207 CO 0.07 -0.89 0.85 0.00 0.05 0.00 0.00 177.00 177.08 3gpd s ALA 208 N -1.33 -1.71 0.13 8.56 0.00 0.32 -4.79 121.76 122.94 3gpd s ALA 208 Ca 0.66 0.64 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3gpd s ALA 208 Cb -0.38 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3gpd s ALA 208 CO 0.47 -0.81 0.26 0.45 0.00 0.00 0.00 175.76 176.13 3gpd s SER 209 N -2.66 6.30 0.17 0.00 0.15 -1.26 -0.10 113.70 116.29 3gpd s SER 209 Ca 0.06 0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.67 3gpd s SER 209 Cb -0.01 -1.89 0.06 0.00 -1.71 0.00 0.00 66.02 62.46 3gpd s SER 209 CO -0.06 0.08 0.58 -0.89 1.20 0.00 0.00 173.24 174.15 3gpd s THR 210 N -1.69 0.01 -0.45 6.45 2.01 -1.24 -4.67 115.64 116.05 3gpd s THR 210 Ca 0.34 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.21 3gpd s THR 210 Cb -0.11 -1.14 0.40 0.00 0.01 0.00 0.00 72.50 71.65 3gpd s THR 210 CO 0.28 -0.05 1.03 0.61 -0.69 0.00 0.00 174.62 175.80 3gpd n GLY 211 N -0.37 5.17 0.26 4.40 0.00 -1.26 -4.44 105.19 108.95 3gpd n GLY 211 Ca -0.15 -2.51 0.01 0.00 0.00 0.00 0.00 46.02 43.37 3gpd n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpd h ALA 212 N 2.76 1.46 -3.00 4.61 0.00 -1.93 -2.38 119.26 120.78 3gpd h ALA 212 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gpd h ALA 212 Cb 0.85 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3gpd h ALA 212 CO 0.77 0.38 0.00 0.00 0.00 0.00 0.00 179.25 180.41 3gpd n ALA 213 N -2.48 0.00 -0.16 0.00 0.00 -1.26 0.83 120.51 117.42 3gpd n ALA 213 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3gpd n ALA 213 Cb 0.24 0.10 0.05 0.00 0.00 0.00 0.00 19.45 19.84 3gpd n ALA 213 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3gpd h LYS 214 N 0.00 0.04 0.04 0.00 1.79 -1.82 -1.83 116.57 114.78 3gpd h LYS 214 Ca 0.00 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3gpd h LYS 214 Cb 0.00 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 3gpd h LYS 214 CO 0.00 0.02 -0.25 0.00 -1.08 0.00 0.00 179.45 178.14 3gpd h ALA 215 N 1.50 -0.75 0.00 3.86 0.00 -1.39 -1.67 119.26 120.81 3gpd h ALA 215 Ca 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3gpd h ALA 215 Cb 0.39 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gpd h ALA 215 CO -0.50 -0.81 -0.16 0.28 0.00 0.00 0.00 179.25 178.06 3gpd h VAL 216 N -0.34 0.93 0.12 0.00 2.07 0.49 -2.88 116.25 116.64 3gpd h VAL 216 Ca -0.00 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3gpd h VAL 216 Cb 0.35 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3gpd h VAL 216 CO -0.15 0.16 -0.47 1.23 0.02 0.00 0.00 177.57 178.36 3gpd h GLY 217 N 0.64 -0.98 0.22 2.17 0.00 -0.49 -0.23 103.07 104.41 3gpd h GLY 217 Ca -0.00 0.57 0.04 0.00 0.00 0.00 0.00 47.33 47.94 3gpd h GLY 217 CO 0.02 -0.27 -0.33 0.50 0.00 0.00 0.00 176.54 176.46 3gpd h LYS 218 N -0.70 -0.43 -0.69 4.80 1.79 -1.12 -0.10 116.57 120.12 3gpd h LYS 218 Ca 0.01 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.62 3gpd h LYS 218 Cb 0.72 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 31.39 3gpd h LYS 218 CO -0.27 -0.29 0.30 0.28 -1.08 0.00 0.00 179.45 178.39 3gpd h VAL 219 N -0.44 0.76 -3.10 0.50 2.07 -1.47 -3.28 116.25 111.28 3gpd h VAL 219 Ca 0.08 -0.17 -0.59 0.00 0.82 0.00 0.00 66.70 66.83 3gpd h VAL 219 Cb 0.56 0.23 -0.40 0.00 -1.52 0.00 0.00 31.29 30.16 3gpd h VAL 219 CO -0.31 0.09 -0.75 -0.51 0.02 0.00 0.00 177.57 176.11 3gpd s ILE 220 N -6.06 1.05 0.00 4.57 1.10 -0.10 -4.82 121.20 116.94 3gpd s ILE 220 Ca -0.13 -1.77 0.00 0.00 -0.51 0.00 0.00 60.65 58.24 3gpd s ILE 220 Cb 0.19 -1.77 0.00 0.00 0.15 0.00 0.00 42.46 41.02 3gpd s ILE 220 CO 0.76 -0.75 0.27 -2.65 -2.11 0.00 0.00 174.94 170.46 3gpd n PRO 221 N 4.42 0.00 0.00 3.50 -0.01 -0.10 -2.63 135.00 140.18 3gpd n PRO 221 Ca 0.02 0.16 0.00 0.00 -0.01 0.00 0.00 63.50 63.67 3gpd n PRO 221 Cb 0.40 -0.77 0.00 0.00 -0.01 0.00 0.00 33.50 33.12 3gpd n PRO 221 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 3gpd n GLU 222 N -0.43 0.00 -0.86 -0.52 1.02 -1.26 -3.26 120.64 115.33 3gpd n GLU 222 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3gpd n GLU 222 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 3gpd n GLU 222 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gpd n LEU 223 N -0.01 -2.72 0.00 -4.62 4.77 -1.08 -4.65 117.00 108.69 3gpd n LEU 223 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3gpd n LEU 223 Cb 0.00 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 3gpd n LEU 223 CO 0.00 -2.74 0.00 -0.67 -1.33 0.00 0.00 177.39 172.65 3gpd n ASP 224 N 1.26 0.00 0.00 -1.43 -0.08 -1.20 -4.58 116.55 110.51 3gpd n ASP 224 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 3gpd n ASP 224 Cb 0.70 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.16 3gpd n ASP 224 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gpd n GLY 225 N 0.00 0.93 0.00 0.27 0.00 -1.26 -4.90 105.19 100.23 3gpd n GLY 225 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3gpd n GLY 225 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gpd n LYS 226 N 0.00 0.87 -3.89 1.61 5.02 -1.26 -4.81 118.16 115.70 3gpd n LYS 226 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3gpd n LYS 226 Cb 0.00 -1.04 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 3gpd n LYS 226 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3gpd s LEU 227 N -1.08 1.59 -0.20 -0.35 0.05 -1.25 -1.00 118.68 116.43 3gpd s LEU 227 Ca 0.03 -0.47 -0.34 0.00 0.05 0.00 0.00 54.13 53.40 3gpd s LEU 227 Cb 0.02 0.78 0.14 0.00 -2.05 0.00 0.00 46.19 45.08 3gpd s LEU 227 CO 0.03 -0.54 1.22 0.28 -0.55 0.00 0.00 176.35 176.78 3gpd s THR 228 N -2.66 0.00 0.20 5.48 -1.32 -1.25 -4.41 115.64 111.68 3gpd s THR 228 Ca -0.04 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.21 3gpd s THR 228 Cb -0.01 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.05 3gpd s THR 228 CO -0.05 0.00 0.97 -0.83 -2.21 0.00 0.00 174.62 172.51 3gpd s GLY 229 N -2.02 -0.00 0.12 6.08 0.00 -1.26 -2.85 107.32 107.40 3gpd s GLY 229 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 3gpd s GLY 229 CO -0.05 1.06 0.13 -0.29 0.00 0.00 0.00 173.10 173.95 3gpd s MET 230 N -2.67 0.94 0.15 2.90 -2.45 -0.95 -3.72 119.30 113.50 3gpd s MET 230 Ca 0.17 -1.28 -0.01 0.00 -1.25 0.00 0.00 55.69 53.32 3gpd s MET 230 Cb -0.02 0.29 -0.04 0.00 1.25 0.00 0.00 34.83 36.30 3gpd s MET 230 CO 0.05 -0.29 0.07 0.00 1.05 0.00 0.00 175.02 175.90 3gpd s ALA 231 N -3.99 0.94 -0.13 4.11 0.00 0.86 -2.44 121.76 121.11 3gpd s ALA 231 Ca 0.18 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 3gpd s ALA 231 Cb 0.06 0.99 0.03 0.00 0.00 0.00 0.00 23.12 24.20 3gpd s ALA 231 CO -0.02 -0.51 -0.06 -0.06 0.00 0.00 0.00 175.76 175.11 3gpd s PHE 232 N -4.07 1.47 -0.06 0.00 0.08 0.07 0.12 117.98 115.59 3gpd s PHE 232 Ca 0.28 -0.80 -0.26 0.00 0.12 0.00 0.00 56.93 56.27 3gpd s PHE 232 Cb 0.07 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 3gpd s PHE 232 CO 0.04 -0.53 0.80 0.50 -0.10 0.00 0.00 175.22 175.93 3gpd s ARG 233 N 1.71 4.45 0.39 0.44 6.06 0.14 -1.87 118.95 130.28 3gpd s ARG 233 Ca 0.04 1.05 0.05 0.00 -2.50 0.00 0.00 55.73 54.37 3gpd s ARG 233 Cb -0.13 -3.47 -0.07 0.00 0.06 0.00 0.00 34.95 31.34 3gpd s ARG 233 CO -0.08 -0.02 0.03 0.14 -2.50 0.00 0.00 175.30 172.86 3gpd s VAL 234 N 1.05 1.65 0.35 7.11 -7.23 -0.95 0.42 120.40 122.80 3gpd s VAL 234 Ca 0.42 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.68 3gpd s VAL 234 Cb -0.18 -2.85 0.33 0.00 0.56 0.00 0.00 36.38 34.24 3gpd s VAL 234 CO 0.20 0.00 1.83 -0.65 -0.31 0.00 0.00 175.10 176.17 3gpd h PRO 235 N 1.84 0.64 -2.05 4.82 0.10 -1.79 -3.31 132.00 132.25 3gpd h PRO 235 Ca -0.43 -0.04 -0.20 0.00 0.10 0.00 0.00 66.00 65.43 3gpd h PRO 235 Cb 1.25 -0.15 -0.04 0.00 0.10 0.00 0.00 31.00 32.17 3gpd h PRO 235 CO 0.76 0.43 0.73 2.41 0.10 0.00 0.00 178.00 182.43 3gpd n THR 236 N -4.62 0.00 0.00 -1.15 -1.04 -1.26 -4.37 114.28 101.84 3gpd n THR 236 Ca 0.20 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3gpd n THR 236 Cb 0.57 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 3gpd n THR 236 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gpd n ALA 237 N 4.22 0.00 -2.77 2.41 0.00 -1.26 0.18 120.51 123.29 3gpd n ALA 237 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 3gpd n ALA 237 Cb 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 3gpd n ALA 237 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gpd s ASN 238 N -2.21 5.71 0.00 0.00 2.47 -1.26 -2.54 114.94 117.11 3gpd s ASN 238 Ca 0.00 0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.54 3gpd s ASN 238 Cb 0.00 -1.71 0.00 0.00 -1.45 0.00 0.00 41.25 38.09 3gpd s ASN 238 CO 0.00 0.37 0.00 0.52 -3.72 0.00 0.00 177.10 174.27 3gpd n VAL 239 N 1.94 -0.08 -3.91 -5.21 0.31 -1.26 -4.81 118.33 105.31 3gpd n VAL 239 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.05 3gpd n VAL 239 Cb 0.54 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.40 3gpd n VAL 239 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3gpd s SER 240 N -1.60 0.05 0.15 4.52 1.04 -1.26 -3.59 113.70 113.01 3gpd s SER 240 Ca 0.00 -0.77 0.09 0.00 0.48 0.00 0.00 55.95 55.74 3gpd s SER 240 Cb 0.00 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 3gpd s SER 240 CO 0.00 -0.84 -0.19 0.54 0.98 0.00 0.00 173.24 173.72 3gpd s VAL 241 N -3.93 1.85 -0.04 5.02 0.11 -0.43 -0.06 120.40 122.92 3gpd s VAL 241 Ca 0.13 -1.85 0.06 0.00 -2.93 0.00 0.00 61.98 57.38 3gpd s VAL 241 Cb 0.04 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.05 3gpd s VAL 241 CO -0.04 -0.24 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.04 3gpd s LEU 242 N -2.51 2.24 -0.23 2.54 2.96 -1.23 -1.60 118.68 120.86 3gpd s LEU 242 Ca 0.14 -0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3gpd s LEU 242 Cb -0.07 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.24 3gpd s LEU 242 CO 0.06 0.29 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.66 3gpd s ASP 243 N -0.44 3.96 -0.06 3.68 -1.08 0.81 -1.76 116.67 121.78 3gpd s ASP 243 Ca 0.05 -0.82 0.06 0.00 -0.52 0.00 0.00 52.55 51.31 3gpd s ASP 243 Cb -0.12 -1.60 -0.01 0.00 -1.46 0.00 0.00 42.92 39.74 3gpd s ASP 243 CO 0.01 -0.08 -0.24 -0.22 0.52 0.00 0.00 175.17 175.16 3gpd s LEU 244 N 1.30 2.04 -0.04 -1.34 0.20 -0.74 -1.16 118.68 118.95 3gpd s LEU 244 Ca 0.01 -0.49 0.06 0.00 0.69 0.00 0.00 54.13 54.40 3gpd s LEU 244 Cb -0.16 -1.31 -0.01 0.00 -0.43 0.00 0.00 46.19 44.28 3gpd s LEU 244 CO -0.07 0.22 -0.22 0.42 -0.29 0.00 0.00 176.35 176.41 3gpd s THR 245 N -0.10 1.80 0.12 3.68 -4.23 -0.07 0.77 115.64 117.61 3gpd s THR 245 Ca -0.04 -0.94 -0.07 0.00 -1.18 0.00 0.00 61.69 59.45 3gpd s THR 245 Cb -0.14 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 3gpd s THR 245 CO 0.04 0.51 0.20 0.00 -0.54 0.00 0.00 174.62 174.82 3gpd s ARG 247 N -3.94 2.40 0.29 0.00 3.52 -0.91 -1.52 118.95 118.79 3gpd s ARG 247 Ca 0.13 -0.95 0.09 0.00 -0.13 0.00 0.00 55.73 54.87 3gpd s ARG 247 Cb 0.05 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.84 3gpd s ARG 247 CO -0.04 -0.38 0.08 -0.51 -0.81 0.00 0.00 175.30 173.63 3gpd s LEU 248 N 1.30 3.30 0.00 -0.88 1.43 0.84 0.32 118.68 125.00 3gpd s LEU 248 Ca -0.01 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3gpd s LEU 248 Cb -0.16 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3gpd s LEU 248 CO -0.09 -0.11 0.23 1.21 0.23 0.00 0.00 176.35 177.82 3gpd n GLU 249 N -1.03 0.00 -2.31 1.70 2.13 -1.12 -4.53 120.64 115.49 3gpd n GLU 249 Ca -0.05 0.20 -0.42 0.00 0.66 0.00 0.00 57.16 57.55 3gpd n GLU 249 Cb 0.60 -0.86 -0.03 0.00 0.27 0.00 0.00 31.44 31.41 3gpd n GLU 249 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3gpd s LYS 250 N -0.86 4.42 0.70 5.31 -0.14 0.02 -4.95 119.74 124.23 3gpd s LYS 250 Ca 0.00 1.93 -0.16 0.00 -1.36 0.00 0.00 55.97 56.38 3gpd s LYS 250 Cb 0.00 -3.26 0.02 0.00 -1.68 0.00 0.00 37.83 32.91 3gpd s LYS 250 CO 0.00 -0.25 1.20 -1.25 -0.76 0.00 0.00 175.35 174.30 3gpd s PRO 251 N 0.44 2.34 0.37 -1.68 0.05 -1.26 -4.74 135.00 130.52 3gpd s PRO 251 Ca 0.58 1.75 0.05 0.00 0.05 0.00 0.00 61.00 63.43 3gpd s PRO 251 Cb -0.33 -1.86 -0.07 0.00 0.05 0.00 0.00 34.50 32.29 3gpd s PRO 251 CO 0.33 -1.68 0.04 0.00 0.05 0.00 0.00 177.00 175.74 3gpd s ALA 252 N -1.93 2.78 -0.03 8.56 0.00 -1.08 -5.06 121.76 125.01 3gpd s ALA 252 Ca 0.75 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3gpd s ALA 252 Cb -0.29 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3gpd s ALA 252 CO 0.43 -0.23 -0.04 0.21 0.00 0.00 0.00 175.76 176.13 3gpd s LYS 253 N -3.81 0.59 0.39 0.00 2.20 -1.26 -4.36 119.74 113.49 3gpd s LYS 253 Ca 0.34 -0.10 0.16 0.00 -0.36 0.00 0.00 55.97 56.01 3gpd s LYS 253 Cb 0.09 -0.62 1.04 0.00 -1.51 0.00 0.00 37.83 36.82 3gpd s LYS 253 CO 0.16 -0.02 1.81 -0.92 -0.36 0.00 0.00 175.35 176.02 3gpd h TYR 254 N 6.76 0.67 -0.70 4.03 3.20 -1.95 1.94 116.97 130.92 3gpd h TYR 254 Ca -0.36 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.59 3gpd h TYR 254 Cb 1.16 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 3gpd h TYR 254 CO 0.47 0.13 0.40 -0.44 -1.64 0.00 0.00 178.16 177.08 3gpd h ASP 255 N 0.46 0.61 -0.03 -2.11 5.19 -2.00 -2.15 116.42 116.38 3gpd h ASP 255 Ca 0.54 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.95 3gpd h ASP 255 Cb 1.27 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3gpd h ASP 255 CO -0.25 0.39 -0.06 -0.78 -3.12 0.00 0.00 179.24 175.42 3gpd h ASP 256 N 0.74 0.11 0.15 6.45 -0.00 0.24 -2.28 116.42 121.83 3gpd h ASP 256 Ca 0.31 -0.56 -0.01 0.00 -0.00 0.00 0.00 57.03 56.78 3gpd h ASP 256 Cb 0.18 -0.03 -0.00 0.00 -0.00 0.00 0.00 39.33 39.47 3gpd h ASP 256 CO -0.18 0.64 -0.13 -0.29 -0.00 0.00 0.00 179.24 179.29 3gpd h ILE 257 N -0.42 0.00 -1.09 2.25 2.10 -0.02 -0.67 117.51 119.66 3gpd h ILE 257 Ca 0.00 0.00 0.36 0.00 1.08 0.00 0.00 64.86 66.30 3gpd h ILE 257 Cb 0.62 0.00 -0.14 0.00 -1.09 0.00 0.00 36.82 36.21 3gpd h ILE 257 CO 0.01 0.00 0.65 0.07 -1.08 0.00 0.00 178.15 177.80 3gpd h LYS 258 N -0.27 0.22 -0.11 2.19 2.10 -1.52 0.20 116.57 119.38 3gpd h LYS 258 Ca -0.02 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.64 3gpd h LYS 258 Cb 0.23 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.46 3gpd h LYS 258 CO -0.00 0.14 -0.41 -0.22 -2.00 0.00 0.00 179.45 176.96 3gpd h LYS 259 N 0.23 -0.42 0.00 0.07 3.64 -0.58 -2.65 116.57 116.86 3gpd h LYS 259 Ca 0.76 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.17 3gpd h LYS 259 Cb 1.97 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 3gpd h LYS 259 CO -0.55 -0.28 0.00 1.55 -2.27 0.00 0.00 179.45 177.90 3gpd n VAL 260 N -4.73 0.00 -0.22 2.00 3.14 0.70 0.16 118.33 119.38 3gpd n VAL 260 Ca -0.05 1.15 0.02 0.00 -2.96 0.00 0.00 64.34 62.51 3gpd n VAL 260 Cb 0.29 -1.56 0.12 0.00 -1.06 0.00 0.00 33.84 31.62 3gpd n VAL 260 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 3gpd h VAL 261 N 0.00 0.47 0.00 1.55 3.04 -1.60 0.59 116.25 120.30 3gpd h VAL 261 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3gpd h VAL 261 Cb 0.00 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 29.60 3gpd h VAL 261 CO 0.00 0.03 0.00 2.29 -1.01 0.00 0.00 177.57 178.88 3gpd n LYS 262 N -5.27 0.00 -0.20 4.17 2.85 0.12 0.36 118.16 120.19 3gpd n LYS 262 Ca 0.10 0.70 0.17 0.00 -1.05 0.00 0.00 58.31 58.23 3gpd n LYS 262 Cb 0.39 -1.29 0.50 0.00 -0.65 0.00 0.00 35.03 33.97 3gpd n LYS 262 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 3gpd h GLU 263 N 0.00 0.42 0.07 -1.58 4.81 -1.21 -1.16 114.58 115.93 3gpd h GLU 263 Ca 0.00 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 3gpd h GLU 263 Cb 0.00 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.31 3gpd h GLU 263 CO 0.00 0.28 -0.99 0.00 -0.73 0.00 0.00 179.01 177.57 3gpd h ALA 264 N 1.63 0.02 -0.54 2.92 0.00 0.08 -3.15 119.26 120.22 3gpd h ALA 264 Ca 0.41 -0.70 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3gpd h ALA 264 Cb 0.97 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3gpd h ALA 264 CO -0.15 0.56 0.26 1.03 0.00 0.00 0.00 179.25 180.95 3gpd h SER 265 N 0.11 0.36 -0.25 0.00 0.87 0.75 -1.30 113.55 114.09 3gpd h SER 265 Ca -0.14 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3gpd h SER 265 Cb 1.69 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.57 3gpd h SER 265 CO 0.19 0.24 -0.07 1.05 -0.53 0.00 0.00 176.83 177.71 3gpd h GLU 266 N 0.50 -0.02 0.00 2.24 4.11 -1.38 -2.12 114.58 117.91 3gpd h GLU 266 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 3gpd h GLU 266 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gpd h GLU 266 CO -0.19 -0.01 0.00 0.41 0.07 0.00 0.00 179.01 179.29 3gpd n GLY 267 N -1.24 1.53 0.14 1.06 0.00 -0.49 -4.44 105.19 101.75 3gpd n GLY 267 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3gpd n GLY 267 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gpd h PRO 268 N 0.00 -0.25 0.56 1.61 0.14 -1.82 -3.38 132.00 128.87 3gpd h PRO 268 Ca 0.00 0.02 -0.03 0.00 0.14 0.00 0.00 66.00 66.13 3gpd h PRO 268 Cb 0.00 0.06 0.01 0.00 0.14 0.00 0.00 31.00 31.20 3gpd h PRO 268 CO 0.00 -0.07 -0.27 -0.07 0.14 0.00 0.00 178.00 177.73 3gpd h LEU 269 N -0.38 -0.63 0.00 1.56 -0.00 -1.74 -3.46 115.31 110.66 3gpd h LEU 269 Ca -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 3gpd h LEU 269 Cb 0.29 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 3gpd h LEU 269 CO 0.04 -0.33 0.00 0.29 -0.00 0.00 0.00 178.44 178.45 3gpd n LYS 270 N -5.34 0.00 0.00 1.13 4.76 -0.80 -3.09 118.16 114.82 3gpd n LYS 270 Ca -0.12 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.40 3gpd n LYS 270 Cb 0.33 0.00 0.46 0.00 -1.84 0.00 0.00 35.03 33.98 3gpd n LYS 270 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gpd n GLY 271 N 0.00 -0.58 3.04 0.72 0.00 -1.26 -4.50 105.19 102.61 3gpd n GLY 271 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3gpd n GLY 271 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gpd s ILE 272 N -2.14 -0.14 0.00 -0.61 -1.16 -1.18 -3.36 121.20 112.61 3gpd s ILE 272 Ca 0.22 0.19 0.00 0.00 -0.51 0.00 0.00 60.65 60.54 3gpd s ILE 272 Cb 0.11 -0.39 0.00 0.00 0.61 0.00 0.00 42.46 42.79 3gpd s ILE 272 CO 0.20 0.08 0.00 -0.11 -2.81 0.00 0.00 174.94 172.30 3gpd n LEU 273 N 4.53 0.00 0.00 8.50 -0.00 -0.30 -4.71 117.00 125.03 3gpd n LEU 273 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 3gpd n LEU 273 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3gpd n LEU 273 CO 0.11 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.11 3gpd n GLY 274 N 0.00 1.02 0.15 -3.96 0.00 -1.25 -1.98 105.19 99.16 3gpd n GLY 274 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3gpd n GLY 274 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gpd n TYR 275 N 0.00 0.00 -3.99 1.61 -0.00 -0.56 -4.89 117.16 109.34 3gpd n TYR 275 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.59 3gpd n TYR 275 Cb 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 39.34 39.05 3gpd n TYR 275 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3gpd s THR 276 N 0.00 2.42 0.35 2.97 -1.32 -1.06 -4.85 115.64 114.14 3gpd s THR 276 Ca 0.00 -2.39 0.09 0.00 -1.21 0.00 0.00 61.69 58.18 3gpd s THR 276 Cb 0.00 -2.76 0.10 0.00 -1.51 0.00 0.00 72.50 68.33 3gpd s THR 276 CO 0.00 -0.63 1.83 -0.33 -2.21 0.00 0.00 174.62 173.28 3gpd h GLU 277 N 7.57 0.19 0.00 7.08 4.39 -1.91 -3.03 114.58 128.87 3gpd h GLU 277 Ca -0.05 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3gpd h GLU 277 Cb 1.01 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3gpd h GLU 277 CO 0.55 0.45 0.00 -0.25 -1.16 0.00 0.00 179.01 178.61 3gpd n ASP 278 N -4.16 0.00 0.00 1.42 10.43 -1.26 -4.79 116.55 118.20 3gpd n ASP 278 Ca -0.01 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.35 3gpd n ASP 278 Cb 0.37 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.33 3gpd n ASP 278 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3gpd n GLU 279 N 0.00 0.00 -2.74 -1.24 2.13 -1.26 -5.03 120.64 112.49 3gpd n GLU 279 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3gpd n GLU 279 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3gpd n GLU 279 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3gpd n VAL 280 N 0.00 -1.63 -0.66 6.31 0.24 -1.26 -4.78 118.33 116.55 3gpd n VAL 280 Ca 0.00 0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 62.55 3gpd n VAL 280 Cb 0.00 -2.49 0.05 0.00 -1.47 0.00 0.00 33.84 29.93 3gpd n VAL 280 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3gpd n VAL 281 N 1.22 2.56 0.00 3.34 0.24 -1.26 -4.96 118.33 119.47 3gpd n VAL 281 Ca 0.00 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 3gpd n VAL 281 Cb 0.40 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 3gpd n VAL 281 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3gpd n SER 282 N 0.27 0.00 -0.10 -1.34 7.64 -1.26 -2.09 113.62 116.73 3gpd n SER 282 Ca 0.28 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3gpd n SER 282 Cb 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 3gpd n SER 282 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3gpd n ASP 283 N 3.58 0.00 0.00 6.43 4.64 -1.26 -5.00 116.55 124.94 3gpd n ASP 283 Ca 0.00 -1.17 0.00 0.00 -1.38 0.00 0.00 54.79 52.24 3gpd n ASP 283 Cb 0.00 -0.03 0.00 0.00 -1.04 0.00 0.00 41.12 40.05 3gpd n ASP 283 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 3gpd n ASP 284 N 0.00 0.00 0.00 1.67 5.68 -0.89 -4.18 116.55 118.83 3gpd n ASP 284 Ca 0.00 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.84 3gpd n ASP 284 Cb 0.53 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3gpd n ASP 284 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3gpd n PHE 285 N -1.09 0.00 -3.08 2.11 3.72 -1.26 -4.69 117.46 113.17 3gpd n PHE 285 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3gpd n PHE 285 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 3gpd n PHE 285 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3gpd n ASN 286 N 0.01 -7.26 -2.81 4.37 4.05 -1.26 -3.58 115.26 108.77 3gpd n ASN 286 Ca 0.00 0.19 -0.12 0.00 0.45 0.00 0.00 54.58 55.10 3gpd n ASN 286 Cb 0.00 -4.43 0.06 0.00 1.23 0.00 0.00 39.78 36.63 3gpd n ASN 286 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3gpd n GLY 287 N -0.66 -0.56 0.09 8.20 0.00 -1.26 -4.93 105.19 106.07 3gpd n GLY 287 Ca 0.03 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 3gpd n GLY 287 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3gpd h SER 288 N -0.92 0.10 -1.59 1.61 0.87 -1.91 -3.49 113.55 108.22 3gpd h SER 288 Ca -0.45 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 3gpd h SER 288 Cb 1.24 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3gpd h SER 288 CO 0.34 1.16 0.00 0.59 -0.53 0.00 0.00 176.83 178.39 3gpd n ASN 289 N -3.17 -1.12 -3.72 6.23 4.13 -1.26 -5.12 115.26 111.23 3gpd n ASN 289 Ca -0.17 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 55.95 3gpd n ASN 289 Cb 1.04 -0.28 -0.08 0.00 -1.54 0.00 0.00 39.78 38.92 3gpd n ASN 289 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3gpd s HIS 290 N -2.49 -0.27 0.00 3.10 3.76 -1.26 -5.07 115.29 113.05 3gpd s HIS 290 Ca 0.00 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 3gpd s HIS 290 Cb 0.00 0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.84 3gpd s HIS 290 CO 0.00 -0.41 0.00 0.45 -0.85 0.00 0.00 174.74 173.93 3gpd n SER 291 N 1.35 0.00 -4.63 1.40 2.88 -1.21 -4.20 113.62 109.20 3gpd n SER 291 Ca -0.21 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 56.99 3gpd n SER 291 Cb 0.56 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 3gpd n SER 291 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3gpd s SER 292 N -1.00 4.93 -0.04 -3.46 1.04 -1.26 -4.56 113.70 109.35 3gpd s SER 292 Ca 0.00 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 3gpd s SER 292 Cb 0.00 -1.31 0.03 0.00 0.10 0.00 0.00 66.02 64.84 3gpd s SER 292 CO 0.00 0.37 0.03 -0.51 0.98 0.00 0.00 173.24 174.10 3gpd s ILE 293 N -0.85 0.08 0.39 -1.02 1.10 -0.84 -1.15 121.20 118.92 3gpd s ILE 293 Ca 0.13 0.23 0.08 0.00 -0.51 0.00 0.00 60.65 60.57 3gpd s ILE 293 Cb -0.11 -0.25 -0.01 0.00 0.15 0.00 0.00 42.46 42.24 3gpd s ILE 293 CO 0.02 0.17 0.41 0.12 -2.11 0.00 0.00 174.94 173.55 3gpd s PHE 294 N 1.59 2.80 0.05 3.50 5.36 -1.16 -0.63 117.98 129.49 3gpd s PHE 294 Ca -0.02 -0.41 -0.27 0.00 -0.96 0.00 0.00 56.93 55.27 3gpd s PHE 294 Cb -0.13 -2.14 0.07 0.00 -0.34 0.00 0.00 43.02 40.49 3gpd s PHE 294 CO -0.03 -0.12 0.65 0.16 -1.46 0.00 0.00 175.22 174.41 3gpd s ASP 295 N -4.16 -0.61 0.44 6.13 -4.77 -1.25 -1.49 116.67 110.97 3gpd s ASP 295 Ca 0.48 0.34 -0.06 0.00 -3.30 0.00 0.00 52.55 50.01 3gpd s ASP 295 Cb -0.06 0.56 -0.04 0.00 -1.09 0.00 0.00 42.92 42.29 3gpd s ASP 295 CO 0.29 -0.79 0.75 0.00 0.70 0.00 0.00 175.17 176.13 3gpd s ALA 296 N -2.50 3.42 0.00 2.11 0.00 -1.14 -4.65 121.76 119.00 3gpd s ALA 296 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3gpd s ALA 296 Cb -0.01 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3gpd s ALA 296 CO -0.02 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3gpd n GLY 297 N -1.91 0.84 1.19 0.00 0.00 -1.26 -4.57 105.19 99.48 3gpd n GLY 297 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3gpd n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpd n ALA 298 N 0.93 0.00 -1.95 4.61 0.00 -1.26 -2.38 120.51 120.45 3gpd n ALA 298 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3gpd n ALA 298 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3gpd n ALA 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gpd n GLY 299 N 0.00 5.69 3.74 0.00 0.00 -1.26 -4.98 105.19 108.38 3gpd n GLY 299 Ca 0.00 -2.52 -0.37 0.00 0.00 0.00 0.00 46.02 43.13 3gpd n GLY 299 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gpd s ILE 300 N -5.12 5.30 -0.10 -0.61 -5.25 -1.00 -4.64 121.20 109.77 3gpd s ILE 300 Ca 0.53 0.55 -0.16 0.00 -0.99 0.00 0.00 60.65 60.58 3gpd s ILE 300 Cb 0.44 -3.63 0.04 0.00 2.95 0.00 0.00 42.46 42.26 3gpd s ILE 300 CO -0.31 0.42 0.40 -1.61 -1.79 0.00 0.00 174.94 172.05 3gpd s GLU 301 N 0.27 0.59 0.16 0.37 0.41 -1.26 -4.99 118.70 114.25 3gpd s GLU 301 Ca 0.17 0.30 0.04 0.00 -0.41 0.00 0.00 54.97 55.07 3gpd s GLU 301 Cb -0.13 0.28 -0.05 0.00 -1.78 0.00 0.00 34.13 32.45 3gpd s GLU 301 CO 0.05 -0.12 -0.08 -0.48 -0.49 0.00 0.00 175.26 174.14 3gpd s LEU 302 N -0.40 2.46 -0.30 1.80 2.34 -1.26 -3.65 118.68 119.67 3gpd s LEU 302 Ca -0.05 -1.05 -0.17 0.00 0.06 0.00 0.00 54.13 52.91 3gpd s LEU 302 Cb -0.03 -0.30 0.18 0.00 -0.56 0.00 0.00 46.19 45.48 3gpd s LEU 302 CO 0.03 -0.38 1.20 0.21 -1.06 0.00 0.00 176.35 176.34 3gpd s ASN 303 N -3.18 -0.20 0.00 1.48 3.04 -0.65 -5.01 114.94 110.41 3gpd s ASN 303 Ca 0.19 0.21 0.00 0.00 0.04 0.00 0.00 52.86 53.30 3gpd s ASN 303 Cb 0.03 1.20 0.00 0.00 -1.54 0.00 0.00 41.25 40.95 3gpd s ASN 303 CO 0.02 -0.04 0.00 -0.90 -3.04 0.00 0.00 177.10 173.14 3gpd n ASP 304 N 5.00 0.00 -0.04 -4.21 5.75 -1.26 0.19 116.55 121.97 3gpd n ASP 304 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.67 3gpd n ASP 304 Cb 0.55 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.50 3gpd n ASP 304 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3gpd n THR 305 N 0.00 1.10 -3.73 2.12 5.66 -1.26 -2.62 114.28 115.55 3gpd n THR 305 Ca 0.00 -0.74 -0.37 0.00 -3.05 0.00 0.00 64.05 59.89 3gpd n THR 305 Cb 0.00 -0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 68.22 3gpd n THR 305 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3gpd s PHE 306 N -2.80 3.63 -0.25 1.09 5.36 0.51 -0.11 117.98 125.41 3gpd s PHE 306 Ca -0.07 0.69 -0.26 0.00 -0.96 0.00 0.00 56.93 56.32 3gpd s PHE 306 Cb 0.08 -2.06 0.13 0.00 -0.34 0.00 0.00 43.02 40.83 3gpd s PHE 306 CO 0.84 0.68 1.06 0.54 -1.46 0.00 0.00 175.22 176.87 3gpd s VAL 307 N -1.12 0.00 0.00 3.12 0.11 -0.58 -1.64 120.40 120.30 3gpd s VAL 307 Ca 0.21 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 3gpd s VAL 307 Cb -0.14 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 3gpd s VAL 307 CO 0.10 0.00 0.07 -0.54 -3.33 0.00 0.00 175.10 171.40 3gpd s LYS 308 N -0.18 3.00 0.05 1.54 1.02 -1.24 -0.65 119.74 123.28 3gpd s LYS 308 Ca 0.02 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 3gpd s LYS 308 Cb -0.04 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 3gpd s LYS 308 CO -0.05 0.63 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.83 3gpd s LEU 309 N -1.77 2.36 -0.06 3.17 2.96 0.23 -4.27 118.68 121.30 3gpd s LEU 309 Ca 0.23 -0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 3gpd s LEU 309 Cb -0.12 0.24 0.02 0.00 0.50 0.00 0.00 46.19 46.84 3gpd s LEU 309 CO 0.14 -0.54 0.13 0.54 -1.32 0.00 0.00 176.35 175.30 3gpd s VAL 310 N -3.38 -0.02 0.00 1.68 0.11 -1.26 -1.79 120.40 115.74 3gpd s VAL 310 Ca 0.02 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 3gpd s VAL 310 Cb 0.04 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.68 3gpd s VAL 310 CO -0.08 0.03 0.00 -0.24 -3.33 0.00 0.00 175.10 171.48 3gpd n SER 311 N 3.56 0.59 -0.63 3.54 2.88 -0.73 -3.85 113.62 118.99 3gpd n SER 311 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 3gpd n SER 311 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3gpd n SER 311 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3gpd n TRP 312 N 0.00 -0.60 0.00 0.66 7.02 0.20 -3.48 117.44 121.24 3gpd n TRP 312 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3gpd n TRP 312 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3gpd n TRP 312 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3gpd n TYR 313 N 0.00 0.00 -1.11 -5.99 4.02 0.91 -4.04 117.16 110.95 3gpd n TYR 313 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3gpd n TYR 313 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3gpd n TYR 313 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3gpd n ASP 314 N -0.16 -2.40 0.00 7.72 -0.08 -1.26 -4.53 116.55 115.85 3gpd n ASP 314 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3gpd n ASP 314 Cb 0.00 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.00 3gpd n ASP 314 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3gpd n ASN 315 N 1.84 0.00 0.00 1.67 0.23 -1.26 0.10 115.26 117.84 3gpd n ASN 315 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3gpd n ASN 315 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3gpd n ASN 315 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3gpd n GLU 316 N 0.00 0.00 0.00 -3.83 1.02 -1.26 -1.01 120.64 115.56 3gpd n GLU 316 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3gpd n GLU 316 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3gpd n GLU 316 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gpd n PHE 317 N 0.00 0.00 -0.06 -0.32 -0.00 -1.06 -2.17 117.46 113.86 3gpd n PHE 317 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.47 3gpd n PHE 317 Cb 0.00 -0.19 0.03 0.00 -0.00 0.00 0.00 39.48 39.33 3gpd n PHE 317 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gpd n GLY 318 N 0.64 -0.24 0.50 7.13 0.00 0.12 0.59 105.19 113.93 3gpd n GLY 318 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3gpd n GLY 318 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gpd h TYR 319 N 0.00 -1.22 -1.44 1.61 3.20 -1.53 -1.44 116.97 116.15 3gpd h TYR 319 Ca 0.09 -0.02 0.42 0.00 3.14 0.00 0.00 58.73 62.35 3gpd h TYR 319 Cb 0.16 0.42 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 3gpd h TYR 319 CO -0.10 -0.72 1.05 0.77 -1.64 0.00 0.00 178.16 177.52 3gpd h SER 320 N -1.22 0.00 0.97 -2.11 0.02 1.68 0.77 113.55 113.66 3gpd h SER 320 Ca -0.12 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.63 3gpd h SER 320 Cb 0.96 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 3gpd h SER 320 CO 0.16 0.00 -1.07 -0.08 -1.14 0.00 0.00 176.83 174.70 3gpd h GLU 321 N 0.00 0.00 0.00 3.45 4.57 0.57 -3.29 114.58 119.88 3gpd h GLU 321 Ca 0.68 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.86 3gpd h GLU 321 Cb 2.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.37 3gpd h GLU 321 CO -0.01 0.79 -0.29 0.00 -1.18 0.00 0.00 179.01 178.33 3gpd h ARG 322 N 0.00 0.00 0.22 1.92 2.47 0.12 -2.21 114.38 116.89 3gpd h ARG 322 Ca -0.07 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 3gpd h ARG 322 Cb 1.74 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.06 3gpd h ARG 322 CO 0.11 0.00 -0.12 0.28 0.56 0.00 0.00 179.97 180.80 3gpd h VAL 323 N 0.00 0.75 -0.58 2.04 2.07 -1.44 0.76 116.25 119.84 3gpd h VAL 323 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3gpd h VAL 323 Cb 0.92 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3gpd h VAL 323 CO 0.00 0.00 0.29 0.58 0.02 0.00 0.00 177.57 178.46 3gpd h VAL 324 N -0.31 1.20 0.00 2.57 2.07 -1.66 3.31 116.25 123.43 3gpd h VAL 324 Ca -0.02 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3gpd h VAL 324 Cb 0.25 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3gpd h VAL 324 CO 0.03 0.23 -0.11 0.44 0.02 0.00 0.00 177.57 178.18 3gpd h ASP 325 N 0.79 0.00 0.07 0.57 3.45 -1.04 0.62 116.42 120.87 3gpd h ASP 325 Ca 0.20 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.41 3gpd h ASP 325 Cb 0.09 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3gpd h ASP 325 CO -0.03 0.11 -1.30 0.25 -1.57 0.00 0.00 179.24 176.69 3gpd h LEU 326 N 0.00 0.23 -1.03 1.55 7.12 0.30 -3.17 115.31 120.30 3gpd h LEU 326 Ca -0.00 -0.77 0.16 0.00 0.13 0.00 0.00 57.88 57.40 3gpd h LEU 326 Cb 0.33 -0.07 -0.09 0.00 -0.53 0.00 0.00 40.66 40.29 3gpd h LEU 326 CO 0.01 1.55 0.62 0.24 -0.13 0.00 0.00 178.44 180.74 3gpd h MET 327 N -0.55 0.84 0.12 1.25 2.86 0.65 0.30 114.93 120.41 3gpd h MET 327 Ca -0.30 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3gpd h MET 327 Cb 1.58 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.04 3gpd h MET 327 CO -0.03 0.56 -0.12 0.00 1.06 0.00 0.00 176.91 178.37 3gpd h ALA 328 N 1.59 -0.85 -0.61 6.32 0.00 0.11 -2.12 119.26 123.71 3gpd h ALA 328 Ca 0.53 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.45 3gpd h ALA 328 Cb 0.70 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3gpd h ALA 328 CO -0.32 -0.86 0.34 1.25 0.00 0.00 0.00 179.25 179.67 3gpd h HIS 329 N -0.24 0.62 0.17 0.00 -0.00 -1.45 -2.97 115.15 111.28 3gpd h HIS 329 Ca -0.02 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3gpd h HIS 329 Cb 0.21 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 3gpd h HIS 329 CO -0.11 0.31 -0.44 1.98 -0.00 0.00 0.00 177.93 179.67 3gpd h MET 330 N 0.64 -0.65 -0.22 5.26 -1.53 -0.38 -3.00 114.93 115.04 3gpd h MET 330 Ca 0.27 0.04 0.05 0.00 -3.44 0.00 0.00 59.70 56.62 3gpd h MET 330 Cb 0.15 0.15 -0.07 0.00 -0.55 0.00 0.00 31.60 31.27 3gpd h MET 330 CO -0.16 -0.43 -0.45 0.00 0.14 0.00 0.00 176.91 176.00 3gpd h ALA 331 N -0.79 -0.62 -0.38 0.39 0.00 -1.34 -3.08 119.26 113.43 3gpd h ALA 331 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gpd h ALA 331 Cb 0.65 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3gpd h ALA 331 CO -0.20 -0.95 0.00 0.45 0.00 0.00 0.00 179.25 178.55 3gpd n SER 332 N -5.43 0.00 0.00 0.00 2.88 -1.13 -3.82 113.62 106.13 3gpd n SER 332 Ca -0.04 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 3gpd n SER 332 Cb 0.36 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 3gpd n SER 332 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gpd n LYS 333 N -1.78 0.00 0.00 -1.46 5.02 -1.16 -5.14 118.16 113.64 3gpd n LYS 333 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3gpd n LYS 333 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 3gpd n LYS 333 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27