#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipw h LEU 2 N 0.00 0.00 -1.97 1.04 3.38 -1.93 -0.96 115.31 114.87 1ipw h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ipw h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ipw h LEU 2 CO 0.00 0.03 -0.01 -0.07 0.09 0.00 0.00 178.44 178.49 1ipw h LEU 3 N 0.00 0.00 -1.54 1.67 3.38 -1.93 -2.13 115.31 114.76 1ipw h LEU 3 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ipw h LEU 3 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ipw h LEU 3 CO 0.00 0.01 -0.02 0.59 0.09 0.00 0.00 178.44 179.11 1ipw n ASN 4 N -3.10 2.41 -4.72 -0.43 3.02 -0.36 -4.92 115.26 107.15 1ipw n ASN 4 Ca -0.01 -1.79 -0.42 0.00 -0.03 0.00 0.00 54.58 52.34 1ipw n ASN 4 Cb 0.23 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1ipw n ASN 4 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ipw s VAL 5 N -2.02 3.28 0.76 2.41 1.01 -0.81 -4.99 120.40 120.05 1ipw s VAL 5 Ca 0.31 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 1ipw s VAL 5 Cb 0.20 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1ipw s VAL 5 CO 0.33 0.09 1.08 -2.16 0.00 0.00 0.00 175.10 174.44 1ipw s PRO 6 N 0.86 2.35 0.42 2.72 0.04 -1.26 -4.72 135.00 135.41 1ipw s PRO 6 Ca 0.63 1.07 0.13 0.00 0.04 0.00 0.00 61.00 62.87 1ipw s PRO 6 Cb -0.37 -1.91 0.91 0.00 0.04 0.00 0.00 34.50 33.17 1ipw s PRO 6 CO 0.32 -1.55 1.95 0.00 0.04 0.00 0.00 177.00 177.75 1ipw h ALA 7 N -1.06 1.61 0.00 8.56 0.00 -1.90 -3.41 119.26 123.05 1ipw h ALA 7 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1ipw h ALA 7 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ipw h ALA 7 CO 0.53 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1ipw n GLY 8 N -0.89 0.27 0.17 0.00 0.00 -1.26 -1.96 105.19 101.52 1ipw n GLY 8 Ca -0.02 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 1ipw n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ipw h LYS 9 N 0.00 0.57 -1.45 1.61 1.79 -1.64 -3.42 116.57 114.02 1ipw h LYS 9 Ca 0.00 -0.65 -0.24 0.00 -2.18 0.00 0.00 60.65 57.57 1ipw h LYS 9 Cb 0.00 0.20 -0.24 0.00 -1.58 0.00 0.00 32.23 30.60 1ipw h LYS 9 CO 0.00 1.26 -0.60 0.34 -1.08 0.00 0.00 179.45 179.37 1ipw s ASP 10 N -7.12 -0.34 0.48 0.86 2.15 -0.69 -5.03 116.67 106.98 1ipw s ASP 10 Ca -0.11 -1.57 -0.24 0.00 0.43 0.00 0.00 52.55 51.06 1ipw s ASP 10 Cb 0.05 1.23 -0.07 0.00 -0.30 0.00 0.00 42.92 43.83 1ipw s ASP 10 CO 0.89 -0.16 1.33 -0.76 -0.17 0.00 0.00 175.17 176.29 1ipw s LEU 11 N 1.23 4.02 0.00 -1.34 1.43 -1.23 -1.00 118.68 121.79 1ipw s LEU 11 Ca 0.22 2.70 0.23 0.00 -1.03 0.00 0.00 54.13 56.25 1ipw s LEU 11 Cb -0.05 -4.10 0.51 0.00 0.03 0.00 0.00 46.19 42.57 1ipw s LEU 11 CO -0.07 -1.21 1.45 -0.81 0.23 0.00 0.00 176.35 175.94 1ipw n PRO 12 N -0.48 2.51 0.05 1.29 -0.04 -1.26 -4.84 135.00 132.23 1ipw n PRO 12 Ca 0.07 -2.31 -0.18 0.00 -0.04 0.00 0.00 63.50 61.05 1ipw n PRO 12 Cb 0.44 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 1ipw n PRO 12 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ipw h GLU 13 N 4.25 0.59 -4.06 0.54 4.39 -1.83 -3.39 114.58 115.06 1ipw h GLU 13 Ca 0.00 -0.64 -0.58 0.00 0.34 0.00 0.00 59.36 58.48 1ipw h GLU 13 Cb 0.95 0.18 -0.39 0.00 -0.10 0.00 0.00 28.75 29.39 1ipw h GLU 13 CO 0.00 1.24 -0.77 0.34 -1.16 0.00 0.00 179.01 178.66 1ipw s ASP 14 N -7.21 3.67 0.32 1.42 -1.08 -0.17 -4.27 116.67 109.34 1ipw s ASP 14 Ca -0.08 -1.18 0.05 0.00 -0.52 0.00 0.00 52.55 50.81 1ipw s ASP 14 Cb 0.08 -1.01 -0.06 0.00 -1.46 0.00 0.00 42.92 40.47 1ipw s ASP 14 CO 0.90 -0.28 0.02 0.27 0.52 0.00 0.00 175.17 176.60 1ipw s ILE 15 N 1.52 1.36 0.01 4.11 -4.36 -0.57 -1.70 121.20 121.57 1ipw s ILE 15 Ca -0.02 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.41 1ipw s ILE 15 Cb -0.18 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 1ipw s ILE 15 CO -0.09 -0.09 -0.20 -0.31 0.24 0.00 0.00 174.94 174.49 1ipw s TYR 16 N -3.19 2.51 -0.10 1.37 2.02 -0.83 -0.98 117.35 118.16 1ipw s TYR 16 Ca 0.34 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 1ipw s TYR 16 Cb 0.08 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 1ipw s TYR 16 CO 0.15 0.15 -0.17 0.08 -1.57 0.00 0.00 175.55 174.19 1ipw s VAL 17 N -0.79 1.58 -0.33 0.71 1.01 0.49 -4.45 120.40 118.62 1ipw s VAL 17 Ca 0.12 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1ipw s VAL 17 Cb -0.10 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1ipw s VAL 17 CO 0.02 0.46 0.80 -0.69 0.00 0.00 0.00 175.10 175.69 1ipw s VAL 18 N 0.71 4.75 0.07 2.92 1.01 0.11 -1.06 120.40 128.91 1ipw s VAL 18 Ca -0.12 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1ipw s VAL 18 Cb -0.16 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1ipw s VAL 18 CO 0.03 -0.34 1.03 -0.63 0.00 0.00 0.00 175.10 175.19 1ipw s ILE 19 N 3.06 4.46 -0.07 2.22 -1.09 0.06 -1.07 121.20 128.77 1ipw s ILE 19 Ca 0.33 1.89 0.02 0.00 -2.23 0.00 0.00 60.65 60.65 1ipw s ILE 19 Cb -0.14 -4.21 -0.06 0.00 -1.58 0.00 0.00 42.46 36.48 1ipw s ILE 19 CO 0.15 0.21 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.41 1ipw n GLU 20 N 3.37 1.00 -4.11 2.79 1.02 0.22 0.49 120.64 125.41 1ipw n GLU 20 Ca 0.05 0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.96 1ipw n GLU 20 Cb 0.49 -1.16 -0.17 0.00 -0.02 0.00 0.00 31.44 30.58 1ipw n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ipw s ILE 21 N -2.15 1.10 0.84 -3.67 1.01 -0.50 -4.45 121.20 113.38 1ipw s ILE 21 Ca -0.08 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1ipw s ILE 21 Cb 0.02 -1.08 0.10 0.00 0.01 0.00 0.00 42.46 41.51 1ipw s ILE 21 CO 0.20 0.37 1.11 -2.84 0.00 0.00 0.00 174.94 173.78 1ipw s PRO 22 N 1.39 1.71 0.53 2.79 0.02 -1.26 -0.10 135.00 140.08 1ipw s PRO 22 Ca -0.01 0.52 -0.19 0.00 0.02 0.00 0.00 61.00 61.35 1ipw s PRO 22 Cb -0.13 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 1ipw s PRO 22 CO -0.05 -1.85 1.06 0.00 -0.33 0.00 0.00 177.00 175.83 1ipw s ALA 23 N -3.19 2.79 -1.20 -1.55 0.00 -1.26 -4.04 121.76 113.31 1ipw s ALA 23 Ca 0.62 0.58 -0.35 0.00 0.00 0.00 0.00 51.96 52.80 1ipw s ALA 23 Cb -0.15 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.76 1ipw s ALA 23 CO 0.54 -0.57 0.67 -1.71 0.00 0.00 0.00 175.76 174.69 1ipw n ASN 24 N -1.39 -4.04 -4.48 0.00 5.15 -0.70 -4.77 115.26 105.03 1ipw n ASN 24 Ca 0.10 -1.30 -0.28 0.00 -0.60 0.00 0.00 54.58 52.49 1ipw n ASN 24 Cb 0.52 -1.56 -0.05 0.00 -0.53 0.00 0.00 39.78 38.17 1ipw n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ipw n ALA 25 N -5.06 0.49 -1.59 5.20 0.00 -1.26 -5.06 120.51 113.23 1ipw n ALA 25 Ca -0.11 -2.07 -0.34 0.00 0.00 0.00 0.00 53.44 50.92 1ipw n ALA 25 Cb 0.55 1.07 0.04 0.00 0.00 0.00 0.00 19.45 21.11 1ipw n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ipw s ASP 26 N -3.65 5.21 -0.49 0.00 1.01 -1.26 -4.80 116.67 112.69 1ipw s ASP 26 Ca 0.07 2.10 -0.04 0.00 0.71 0.00 0.00 52.55 55.39 1ipw s ASP 26 Cb -0.01 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1ipw s ASP 26 CO 0.04 -1.56 1.76 -0.81 0.21 0.00 0.00 175.17 174.81 1ipw n PRO 27 N -2.08 1.30 -3.96 8.23 -0.04 -1.26 -4.80 135.00 132.39 1ipw n PRO 27 Ca 0.11 -0.99 -0.34 0.00 -0.04 0.00 0.00 63.50 62.24 1ipw n PRO 27 Cb 0.51 -2.17 -0.14 0.00 -0.04 0.00 0.00 33.50 31.66 1ipw n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ipw s ILE 28 N 3.52 2.91 -0.55 0.52 1.01 -1.26 -0.52 121.20 126.82 1ipw s ILE 28 Ca 0.27 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.73 1ipw s ILE 28 Cb 0.08 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 40.15 1ipw s ILE 28 CO -0.02 0.23 0.88 -0.75 0.00 0.00 0.00 174.94 175.29 1ipw s LYS 29 N 1.34 3.28 0.39 2.79 2.20 0.73 -4.97 119.74 125.50 1ipw s LYS 29 Ca 0.01 -0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1ipw s LYS 29 Cb -0.16 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 1ipw s LYS 29 CO -0.05 -1.46 0.66 0.71 -0.36 0.00 0.00 175.35 174.86 1ipw s TYR 30 N 3.71 3.52 -0.21 4.03 2.02 -1.26 0.14 117.35 129.30 1ipw s TYR 30 Ca 0.27 0.67 -0.13 0.00 -0.37 0.00 0.00 57.07 57.50 1ipw s TYR 30 Cb -0.14 -2.16 0.06 0.00 -0.40 0.00 0.00 41.96 39.33 1ipw s TYR 30 CO 0.17 -0.04 0.51 -1.21 -1.57 0.00 0.00 175.55 173.42 1ipw s GLU 31 N -4.24 0.53 -0.20 -0.62 2.02 0.39 -4.70 118.70 111.88 1ipw s GLU 31 Ca 0.45 0.89 -0.29 0.00 0.02 0.00 0.00 54.97 56.04 1ipw s GLU 31 Cb -0.10 0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.22 1ipw s GLU 31 CO 0.37 -0.14 1.27 0.42 0.02 0.00 0.00 175.26 177.21 1ipw s ILE 32 N 1.19 4.25 0.04 -1.63 -1.09 -1.26 -0.21 121.20 122.49 1ipw s ILE 32 Ca -0.07 1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 59.54 1ipw s ILE 32 Cb -0.06 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.71 1ipw s ILE 32 CO -0.11 -0.21 1.58 -0.62 -1.23 0.00 0.00 174.94 174.35 1ipw s ASP 33 N 2.16 6.68 0.56 3.58 2.15 0.93 -4.90 116.67 127.83 1ipw s ASP 33 Ca 0.55 2.36 0.24 0.00 0.43 0.00 0.00 52.55 56.13 1ipw s ASP 33 Cb -0.20 -2.56 1.53 0.00 -0.30 0.00 0.00 42.92 41.38 1ipw s ASP 33 CO 0.16 -0.84 2.13 0.50 -0.17 0.00 0.00 175.17 176.95 1ipw h LYS 34 N 8.29 0.00 0.03 4.34 1.63 -1.93 0.46 116.57 129.40 1ipw h LYS 34 Ca -0.41 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.06 1ipw h LYS 34 Cb 1.19 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.78 1ipw h LYS 34 CO 0.92 0.00 -1.96 0.39 -3.45 0.00 0.00 179.45 175.36 1ipw n GLU 35 N -4.14 0.68 -0.08 1.90 1.02 -1.26 -4.49 120.64 114.27 1ipw n GLU 35 Ca 0.01 0.23 -0.07 0.00 -0.02 0.00 0.00 57.16 57.30 1ipw n GLU 35 Cb 0.26 -1.71 -0.16 0.00 -0.02 0.00 0.00 31.44 29.81 1ipw n GLU 35 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ipw n SER 36 N -3.13 0.10 0.00 1.62 3.41 -1.11 -4.96 113.62 109.55 1ipw n SER 36 Ca -0.26 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1ipw n SER 36 Cb 1.06 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 66.00 1ipw n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ipw n GLY 37 N 1.67 0.87 3.85 5.00 0.00 0.16 -4.96 105.19 111.78 1ipw n GLY 37 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1ipw n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipw s ALA 38 N -3.44 3.17 -0.52 4.61 0.00 -1.25 -4.61 121.76 119.73 1ipw s ALA 38 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 1ipw s ALA 38 Cb 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.19 1ipw s ALA 38 CO 0.00 -0.11 0.98 -1.17 0.00 0.00 0.00 175.76 175.46 1ipw s LEU 39 N -3.89 3.95 0.21 0.00 2.96 -1.26 -0.05 118.68 120.60 1ipw s LEU 39 Ca 0.56 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1ipw s LEU 39 Cb -0.10 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 1ipw s LEU 39 CO 0.29 -1.19 0.44 -0.36 -1.32 0.00 0.00 176.35 174.21 1ipw s PHE 40 N 4.04 3.48 -0.41 5.38 0.40 0.71 -4.89 117.98 126.69 1ipw s PHE 40 Ca 0.36 0.50 -0.23 0.00 -0.60 0.00 0.00 56.93 56.96 1ipw s PHE 40 Cb -0.11 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1ipw s PHE 40 CO 0.24 0.34 0.79 0.08 0.70 0.00 0.00 175.22 177.36 1ipw s VAL 41 N -1.86 4.68 0.06 -0.44 1.01 -1.26 -0.46 120.40 122.12 1ipw s VAL 41 Ca 0.41 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.89 1ipw s VAL 41 Cb -0.11 -4.27 -0.17 0.00 0.00 0.00 0.00 36.38 31.82 1ipw s VAL 41 CO 0.28 -0.59 1.26 -0.78 0.00 0.00 0.00 175.10 175.27 1ipw h ASP 42 N 8.75 0.71 0.00 3.32 3.58 0.88 -3.47 116.42 130.18 1ipw h ASP 42 Ca -0.25 -0.63 0.00 0.00 0.42 0.00 0.00 57.03 56.58 1ipw h ASP 42 Cb 1.09 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1ipw h ASP 42 CO 0.94 1.22 0.00 -2.11 -2.88 0.00 0.00 179.24 176.41 1ipw n ARG 43 N -4.16 0.00 -3.43 0.28 1.85 -0.87 -5.00 116.66 105.32 1ipw n ARG 43 Ca -0.08 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.37 1ipw n ARG 43 Cb 0.63 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.94 1ipw n ARG 43 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ipw s PHE 44 N -2.00 3.22 0.36 2.89 0.08 -1.26 -0.19 117.98 121.07 1ipw s PHE 44 Ca 0.00 -0.03 -0.28 0.00 0.12 0.00 0.00 56.93 56.74 1ipw s PHE 44 Cb 0.00 -2.62 -0.12 0.00 -0.57 0.00 0.00 43.02 39.71 1ipw s PHE 44 CO 0.00 -0.40 1.36 -1.33 -0.10 0.00 0.00 175.22 174.75 1ipw n MET 45 N 5.32 2.30 0.14 0.44 2.81 0.32 -4.93 117.12 123.53 1ipw n MET 45 Ca -0.10 0.81 0.09 0.00 -1.81 0.00 0.00 57.70 56.69 1ipw n MET 45 Cb 0.50 -2.45 0.06 0.00 -0.71 0.00 0.00 33.22 30.61 1ipw n MET 45 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ipw h SER 46 N 2.65 0.00 -3.28 7.83 4.64 -1.89 -3.47 113.55 120.03 1ipw h SER 46 Ca -0.48 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.36 1ipw h SER 46 Cb 1.27 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1ipw h SER 46 CO 0.63 0.13 0.00 0.42 -0.87 0.00 0.00 176.83 177.14 1ipw s THR 47 N -3.20 4.92 -1.27 2.95 -4.23 -1.26 -4.97 115.64 108.57 1ipw s THR 47 Ca 0.03 -0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.42 1ipw s THR 47 Cb 0.07 -3.84 0.17 0.00 1.34 0.00 0.00 72.50 70.24 1ipw s THR 47 CO 0.74 -0.73 2.08 0.00 -0.54 0.00 0.00 174.62 176.18 1ipw n ALA 48 N -2.10 6.07 -2.32 3.99 0.00 -1.26 -4.90 120.51 119.99 1ipw n ALA 48 Ca -0.01 -4.26 -0.17 0.00 0.00 0.00 0.00 53.44 49.00 1ipw n ALA 48 Cb 0.56 -2.79 -0.10 0.00 0.00 0.00 0.00 19.45 17.12 1ipw n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ipw s MET 49 N -0.86 1.30 -0.00 0.00 -1.94 -1.26 -5.16 119.30 111.37 1ipw s MET 49 Ca 0.46 -1.65 -0.08 0.00 -1.71 0.00 0.00 55.69 52.71 1ipw s MET 49 Cb 0.14 -0.61 0.01 0.00 2.01 0.00 0.00 34.83 36.38 1ipw s MET 49 CO -0.04 -0.08 0.17 -0.59 -0.01 0.00 0.00 175.02 174.47 1ipw s PHE 50 N -3.41 -0.00 0.15 -0.03 -0.12 -1.26 -4.53 117.98 108.77 1ipw s PHE 50 Ca 0.27 -0.05 -0.31 0.00 -0.05 0.00 0.00 56.93 56.79 1ipw s PHE 50 Cb 0.05 -0.02 -0.10 0.00 -0.63 0.00 0.00 43.02 42.32 1ipw s PHE 50 CO 0.08 -0.30 1.60 0.71 -0.05 0.00 0.00 175.22 177.26 1ipw s TYR 51 N -1.32 2.91 -0.68 3.49 1.51 -1.26 -4.85 117.35 117.15 1ipw s TYR 51 Ca -0.14 0.53 0.22 0.00 -1.01 0.00 0.00 57.07 56.67 1ipw s TYR 51 Cb -0.07 -3.96 0.89 0.00 -0.11 0.00 0.00 41.96 38.71 1ipw s TYR 51 CO 0.02 -3.61 1.67 -2.30 -1.11 0.00 0.00 175.55 170.22 1ipw n PRO 52 N 4.32 0.14 -4.15 -1.71 -0.02 -1.26 -1.71 135.00 130.61 1ipw n PRO 52 Ca 0.14 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 1ipw n PRO 52 Cb 0.39 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 1ipw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ipw s ASN 54 N -3.12 6.87 -0.04 0.00 0.01 -0.98 -3.98 114.94 113.69 1ipw s ASN 54 Ca 0.35 2.23 0.03 0.00 -0.71 0.00 0.00 52.86 54.76 1ipw s ASN 54 Cb 0.05 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1ipw s ASN 54 CO 0.11 -0.43 -0.13 -0.47 -1.51 0.00 0.00 177.10 174.68 1ipw s TYR 55 N -1.39 1.33 0.00 2.20 5.04 0.85 -0.17 117.35 125.21 1ipw s TYR 55 Ca 0.53 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 1ipw s TYR 55 Cb -0.29 -0.92 0.00 0.00 0.35 0.00 0.00 41.96 41.10 1ipw s TYR 55 CO 0.36 -0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.84 1ipw n GLY 56 N 3.28 3.16 3.47 8.97 0.00 0.44 -0.61 105.19 123.89 1ipw n GLY 56 Ca -0.19 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1ipw n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ipw s TYR 57 N -0.71 0.62 -0.20 1.61 1.13 -0.23 -0.59 117.35 118.97 1ipw s TYR 57 Ca 0.00 -0.93 -0.09 0.00 -1.41 0.00 0.00 57.07 54.63 1ipw s TYR 57 Cb 0.00 -0.04 -0.05 0.00 -1.10 0.00 0.00 41.96 40.77 1ipw s TYR 57 CO 0.00 -0.89 0.12 0.42 -2.51 0.00 0.00 175.55 172.68 1ipw s ILE 58 N -4.04 5.25 0.64 -3.49 1.01 -0.72 0.10 121.20 119.96 1ipw s ILE 58 Ca 0.28 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 1ipw s ILE 58 Cb 0.02 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1ipw s ILE 58 CO 0.10 0.44 1.04 0.21 0.00 0.00 0.00 174.94 176.73 1ipw s ASN 59 N 0.41 5.83 -1.41 3.58 2.47 -1.26 -3.84 114.94 120.71 1ipw s ASN 59 Ca 0.07 1.56 -0.02 0.00 0.42 0.00 0.00 52.86 54.88 1ipw s ASN 59 Cb -0.11 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1ipw s ASN 59 CO -0.01 -1.14 0.29 1.41 -3.72 0.00 0.00 177.10 173.94 1ipw n HIS 60 N -2.77 -1.32 -4.20 0.43 8.25 -1.26 -3.97 115.22 110.38 1ipw n HIS 60 Ca 0.07 0.25 -0.18 0.00 -0.26 0.00 0.00 57.72 57.60 1ipw n HIS 60 Cb 0.54 -3.80 -0.12 0.00 1.12 0.00 0.00 29.99 27.73 1ipw n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ipw s THR 61 N -3.00 1.21 -0.17 1.59 -4.23 -1.25 -4.54 115.64 105.25 1ipw s THR 61 Ca 0.15 -1.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.14 1ipw s THR 61 Cb -0.06 -1.26 0.06 0.00 1.34 0.00 0.00 72.50 72.57 1ipw s THR 61 CO 0.18 -0.29 0.09 -0.22 -0.54 0.00 0.00 174.62 173.83 1ipw s LEU 62 N -2.01 0.39 0.69 4.79 2.96 -0.31 -3.73 118.68 121.45 1ipw s LEU 62 Ca 0.02 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1ipw s LEU 62 Cb -0.08 -0.26 0.08 0.00 0.50 0.00 0.00 46.19 46.43 1ipw s LEU 62 CO 0.02 -0.34 0.97 -0.94 -1.32 0.00 0.00 176.35 174.74 1ipw s SER 63 N 2.12 4.66 0.00 3.68 1.04 0.82 -4.40 113.70 121.63 1ipw s SER 63 Ca 0.02 0.07 0.12 0.00 0.48 0.00 0.00 55.95 56.64 1ipw s SER 63 Cb -0.16 -0.65 0.69 0.00 0.10 0.00 0.00 66.02 66.00 1ipw s SER 63 CO -0.09 -1.64 1.16 0.18 0.98 0.00 0.00 173.24 173.82 1ipw n LEU 64 N -2.81 0.00 -1.04 2.42 4.77 -1.26 -1.51 117.00 117.57 1ipw n LEU 64 Ca 0.11 0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.23 1ipw n LEU 64 Cb 0.60 -0.03 0.23 0.00 -2.33 0.00 0.00 43.42 41.89 1ipw n LEU 64 CO 0.47 -0.02 0.71 -0.90 -1.33 0.00 0.00 177.39 176.31 1ipw n ASP 65 N -1.03 3.14 0.00 -1.43 5.68 -1.26 -4.90 116.55 116.75 1ipw n ASP 65 Ca 0.09 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1ipw n ASP 65 Cb 0.05 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1ipw n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ipw n GLY 66 N 1.43 1.45 3.83 6.12 0.00 -0.57 -5.04 105.19 112.42 1ipw n GLY 66 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1ipw n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ipw s ASP 67 N -2.98 5.20 1.04 1.61 1.01 -1.26 -4.76 116.67 116.53 1ipw s ASP 67 Ca 0.00 -0.53 -0.12 0.00 0.71 0.00 0.00 52.55 52.61 1ipw s ASP 67 Cb 0.00 -0.95 0.22 0.00 1.01 0.00 0.00 42.92 43.20 1ipw s ASP 67 CO 0.00 -0.33 1.07 -2.84 0.21 0.00 0.00 175.17 173.28 1ipw s PRO 68 N -3.96 0.04 0.06 8.23 0.02 -1.24 -0.13 135.00 138.02 1ipw s PRO 68 Ca 0.40 0.94 -0.31 0.00 0.02 0.00 0.00 61.00 62.05 1ipw s PRO 68 Cb -0.05 -1.66 -0.07 0.00 0.02 0.00 0.00 34.50 32.74 1ipw s PRO 68 CO 0.26 -3.11 1.42 0.08 -0.33 0.00 0.00 177.00 175.32 1ipw s VAL 69 N -2.65 3.46 0.18 3.83 1.01 -1.26 -4.63 120.40 120.34 1ipw s VAL 69 Ca 0.67 0.97 -0.28 0.00 0.00 0.00 0.00 61.98 63.34 1ipw s VAL 69 Cb -0.22 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1ipw s VAL 69 CO 0.61 0.04 0.86 -1.81 0.00 0.00 0.00 175.10 174.79 1ipw s ASP 70 N 1.55 7.48 -0.01 3.32 1.01 -1.26 -1.75 116.67 127.02 1ipw s ASP 70 Ca 0.65 1.76 0.00 0.00 0.71 0.00 0.00 52.55 55.67 1ipw s ASP 70 Cb -0.35 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.04 1ipw s ASP 70 CO 0.29 0.14 -0.01 -0.69 0.21 0.00 0.00 175.17 175.11 1ipw s VAL 71 N -0.93 0.11 -0.13 -1.27 1.01 0.24 -0.89 120.40 118.54 1ipw s VAL 71 Ca 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1ipw s VAL 71 Cb -0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1ipw s VAL 71 CO 0.28 0.05 0.02 -0.76 0.00 0.00 0.00 175.10 174.70 1ipw s LEU 72 N 0.20 3.64 -0.19 3.92 1.43 0.12 -0.42 118.68 127.38 1ipw s LEU 72 Ca -0.02 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1ipw s LEU 72 Cb -0.03 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.37 1ipw s LEU 72 CO -0.01 0.27 0.04 -0.69 0.23 0.00 0.00 176.35 176.19 1ipw s VAL 73 N -0.24 0.47 0.37 -1.59 1.01 0.77 -1.67 120.40 119.53 1ipw s VAL 73 Ca 0.06 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 1ipw s VAL 73 Cb -0.12 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 1ipw s VAL 73 CO 0.02 -0.20 1.06 -2.16 0.00 0.00 0.00 175.10 173.82 1ipw s PRO 74 N 1.88 4.29 0.04 2.72 0.04 -1.26 -2.33 135.00 140.38 1ipw s PRO 74 Ca -0.01 1.59 -0.09 0.00 0.04 0.00 0.00 61.00 62.53 1ipw s PRO 74 Cb -0.17 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1ipw s PRO 74 CO -0.08 -0.05 0.19 0.95 0.04 0.00 0.00 177.00 178.05 1ipw s THR 75 N -1.52 0.11 0.30 1.26 -4.23 -1.26 -4.36 115.64 105.94 1ipw s THR 75 Ca 0.54 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 60.18 1ipw s THR 75 Cb -0.25 -0.89 0.29 0.00 1.34 0.00 0.00 72.50 72.99 1ipw s THR 75 CO 0.31 -0.49 1.86 -0.65 -0.54 0.00 0.00 174.62 175.11 1ipw h PRO 76 N 3.50 0.91 -5.09 3.99 0.11 -2.03 -3.42 132.00 129.97 1ipw h PRO 76 Ca -0.32 -0.06 -0.36 0.00 0.11 0.00 0.00 66.00 65.38 1ipw h PRO 76 Cb 1.19 -0.21 -0.19 0.00 0.11 0.00 0.00 31.00 31.90 1ipw h PRO 76 CO 0.48 0.61 -0.75 0.71 -0.21 0.00 0.00 178.00 178.83 1ipw s TYR 77 N -5.88 1.10 0.45 0.65 2.02 -1.26 -5.12 117.35 109.31 1ipw s TYR 77 Ca -0.11 -0.56 -0.25 0.00 -0.37 0.00 0.00 57.07 55.77 1ipw s TYR 77 Cb 0.22 -0.61 -0.09 0.00 -0.40 0.00 0.00 41.96 41.08 1ipw s TYR 77 CO 0.80 0.03 1.43 -2.30 -1.57 0.00 0.00 175.55 173.94 1ipw n PRO 78 N 0.89 2.26 -3.44 -1.71 -0.02 -1.26 -4.98 135.00 126.75 1ipw n PRO 78 Ca -0.18 0.81 -0.22 0.00 -2.02 0.00 0.00 63.50 61.89 1ipw n PRO 78 Cb 0.56 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1ipw n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ipw s LEU 79 N -2.58 3.98 0.19 2.45 1.43 -1.26 -4.96 118.68 117.92 1ipw s LEU 79 Ca 0.61 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.55 1ipw s LEU 79 Cb -0.45 -3.01 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 1ipw s LEU 79 CO 0.58 -0.39 1.09 -1.10 0.23 0.00 0.00 176.35 176.77 1ipw s GLN 80 N -4.26 4.61 0.36 1.70 -1.52 -1.26 -4.48 119.66 114.81 1ipw s GLN 80 Ca 0.42 1.72 -0.28 0.00 -1.95 0.00 0.00 55.36 55.28 1ipw s GLN 80 Cb -0.10 -3.26 -0.10 0.00 -0.22 0.00 0.00 33.01 29.33 1ipw s GLN 80 CO 0.33 0.11 1.37 -2.14 -0.25 0.00 0.00 175.29 174.71 1ipw s PRO 81 N -0.56 4.18 0.00 2.91 0.02 -1.26 -2.05 135.00 138.24 1ipw s PRO 81 Ca 0.48 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1ipw s PRO 81 Cb -0.30 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1ipw s PRO 81 CO 0.36 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 1ipw n GLY 82 N 0.66 0.73 3.95 0.52 0.00 0.18 -4.99 105.19 106.24 1ipw n GLY 82 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1ipw n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ipw s SER 83 N -2.75 6.27 -0.09 1.61 1.04 -0.87 -4.82 113.70 114.09 1ipw s SER 83 Ca 0.00 0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.85 1ipw s SER 83 Cb 0.00 -1.98 -0.02 0.00 0.10 0.00 0.00 66.02 64.12 1ipw s SER 83 CO 0.00 -0.30 -0.16 -0.69 0.98 0.00 0.00 173.24 173.07 1ipw s VAL 84 N -2.30 2.85 -0.03 5.02 1.01 -1.26 -0.76 120.40 124.93 1ipw s VAL 84 Ca 0.40 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1ipw s VAL 84 Cb -0.10 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1ipw s VAL 84 CO 0.35 0.55 -0.18 -0.51 0.00 0.00 0.00 175.10 175.32 1ipw s ILE 85 N -0.08 1.46 -0.14 2.22 2.07 -0.23 -4.91 121.20 121.59 1ipw s ILE 85 Ca -0.03 -0.75 -0.26 0.00 -1.41 0.00 0.00 60.65 58.20 1ipw s ILE 85 Cb -0.14 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.19 1ipw s ILE 85 CO 0.04 0.42 0.85 -0.60 -1.91 0.00 0.00 174.94 173.74 1ipw s ARG 86 N -0.14 4.34 0.28 3.50 3.52 -1.26 -0.38 118.95 128.81 1ipw s ARG 86 Ca 0.00 1.07 0.03 0.00 -0.13 0.00 0.00 55.73 56.70 1ipw s ARG 86 Cb -0.10 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1ipw s ARG 86 CO 0.01 -0.27 0.24 0.00 -0.81 0.00 0.00 175.30 174.48 1ipw s ARG 88 N -3.71 0.93 0.54 0.00 1.70 -0.64 -1.51 118.95 116.25 1ipw s ARG 88 Ca 0.39 -0.14 -0.21 0.00 -0.47 0.00 0.00 55.73 55.29 1ipw s ARG 88 Cb 0.04 -0.89 -0.05 0.00 -0.57 0.00 0.00 34.95 33.48 1ipw s ARG 88 CO 0.20 -0.06 1.27 -1.25 -1.08 0.00 0.00 175.30 174.38 1ipw s PRO 89 N 0.85 3.23 0.00 3.89 0.04 -1.26 -1.74 135.00 140.01 1ipw s PRO 89 Ca -0.12 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1ipw s PRO 89 Cb -0.15 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1ipw s PRO 89 CO 0.01 -1.05 0.01 1.33 0.04 0.00 0.00 177.00 177.34 1ipw n VAL 90 N -1.06 0.00 -3.77 -0.36 0.24 -0.01 -4.88 118.33 108.49 1ipw n VAL 90 Ca 0.11 -0.03 0.04 0.00 -2.04 0.00 0.00 64.34 62.41 1ipw n VAL 90 Cb 0.47 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 1ipw n VAL 90 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ipw s GLY 91 N -0.05 -0.35 -0.14 7.63 0.00 -1.03 0.31 107.32 113.70 1ipw s GLY 91 Ca 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 44.72 45.19 1ipw s GLY 91 CO 0.00 3.05 0.33 0.54 0.00 0.00 0.00 173.10 177.02 1ipw s VAL 92 N -2.07 -0.03 -0.39 1.40 0.11 -0.76 -0.85 120.40 117.82 1ipw s VAL 92 Ca 0.22 0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 59.20 1ipw s VAL 92 Cb 0.04 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1ipw s VAL 92 CO -0.04 0.05 0.52 -0.22 -3.33 0.00 0.00 175.10 172.08 1ipw s LEU 93 N 1.25 4.51 -0.01 2.54 2.96 0.99 -0.93 118.68 129.99 1ipw s LEU 93 Ca -0.09 -0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.38 1ipw s LEU 93 Cb -0.09 -2.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.98 1ipw s LEU 93 CO -0.10 -0.57 0.49 -0.54 -1.32 0.00 0.00 176.35 174.31 1ipw s LYS 94 N 2.43 4.14 0.23 1.98 -0.14 0.10 -0.92 119.74 127.56 1ipw s LYS 94 Ca 0.18 0.55 -0.14 0.00 -1.36 0.00 0.00 55.97 55.19 1ipw s LYS 94 Cb -0.15 -3.29 0.01 0.00 -1.68 0.00 0.00 37.83 32.71 1ipw s LYS 94 CO 0.15 0.52 0.50 0.00 -0.76 0.00 0.00 175.35 175.75 1ipw s MET 95 N -0.59 1.50 -0.07 1.68 0.23 -0.21 0.15 119.30 121.98 1ipw s MET 95 Ca 0.26 -1.12 0.01 0.00 -1.03 0.00 0.00 55.69 53.81 1ipw s MET 95 Cb -0.17 0.49 0.02 0.00 -1.53 0.00 0.00 34.83 33.63 1ipw s MET 95 CO 0.15 -0.63 -0.09 0.99 -2.03 0.00 0.00 175.02 173.41 1ipw s THR 96 N -3.97 0.91 0.00 3.16 2.01 0.32 -0.74 115.64 117.33 1ipw s THR 96 Ca 0.18 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1ipw s THR 96 Cb -0.01 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1ipw s THR 96 CO 0.05 0.32 0.00 -0.90 -0.69 0.00 0.00 174.62 173.40 1ipw n ASP 97 N 4.15 1.45 0.13 3.53 5.68 0.14 0.04 116.55 131.67 1ipw n ASP 97 Ca -0.21 -0.99 0.10 0.00 -0.50 0.00 0.00 54.79 53.20 1ipw n ASP 97 Cb 0.51 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.99 1ipw n ASP 97 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1ipw n GLU 98 N -0.27 0.14 -0.04 0.11 0.00 -0.81 -1.57 120.64 118.20 1ipw n GLU 98 Ca 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 57.16 57.69 1ipw n GLU 98 Cb 0.00 -1.88 -0.15 0.00 0.00 0.00 0.00 31.44 29.42 1ipw n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ipw n ALA 99 N -1.74 1.98 0.00 -1.84 0.00 -1.26 -5.04 120.51 112.61 1ipw n ALA 99 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1ipw n ALA 99 Cb 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1ipw n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ipw n GLY 100 N 1.52 0.31 3.85 0.00 0.00 -0.61 -5.12 105.19 105.14 1ipw n GLY 100 Ca -0.19 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 1ipw n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ipw s GLU 101 N -0.57 4.02 0.06 1.61 2.12 -1.26 0.23 118.70 124.89 1ipw s GLU 101 Ca 0.00 0.63 -0.18 0.00 0.36 0.00 0.00 54.97 55.78 1ipw s GLU 101 Cb 0.00 -2.60 0.04 0.00 0.26 0.00 0.00 34.13 31.83 1ipw s GLU 101 CO 0.00 0.26 0.41 0.34 -0.54 0.00 0.00 175.26 175.73 1ipw s ASP 102 N -2.12 -0.28 -0.07 -1.70 2.15 0.08 -4.86 116.67 109.88 1ipw s ASP 102 Ca 0.49 -0.05 -0.06 0.00 0.43 0.00 0.00 52.55 53.36 1ipw s ASP 102 Cb -0.12 0.43 0.02 0.00 -0.30 0.00 0.00 42.92 42.95 1ipw s ASP 102 CO 0.19 -0.69 0.18 0.00 -0.17 0.00 0.00 175.17 174.68 1ipw s ALA 103 N -2.68 -0.44 -0.11 3.66 0.00 -1.26 -1.05 121.76 119.89 1ipw s ALA 103 Ca -0.04 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1ipw s ALA 103 Cb -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1ipw s ALA 103 CO -0.04 -0.09 -0.22 0.15 0.00 0.00 0.00 175.76 175.56 1ipw s LYS 104 N 0.21 2.85 0.42 0.00 -0.14 -0.10 -4.53 119.74 118.45 1ipw s LYS 104 Ca -0.01 -0.81 -0.08 0.00 -1.36 0.00 0.00 55.97 53.72 1ipw s LYS 104 Cb -0.02 -2.22 -0.05 0.00 -1.68 0.00 0.00 37.83 33.86 1ipw s LYS 104 CO -0.01 0.10 0.74 -0.51 -0.76 0.00 0.00 175.35 174.92 1ipw s LEU 105 N 0.54 3.79 -0.16 3.17 1.43 -0.07 -0.01 118.68 127.36 1ipw s LEU 105 Ca -0.15 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 1ipw s LEU 105 Cb -0.17 -3.89 0.02 0.00 0.03 0.00 0.00 46.19 42.18 1ipw s LEU 105 CO 0.05 -0.44 -0.19 -0.69 0.23 0.00 0.00 176.35 175.32 1ipw s VAL 106 N -2.47 1.91 0.08 -1.59 1.01 -0.03 -0.70 120.40 118.62 1ipw s VAL 106 Ca 0.49 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1ipw s VAL 106 Cb -0.10 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1ipw s VAL 106 CO 0.36 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.80 1ipw s ALA 107 N 1.27 1.52 0.26 5.51 0.00 -0.67 -0.83 121.76 128.82 1ipw s ALA 107 Ca 0.03 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 50.99 1ipw s ALA 107 Cb -0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 1ipw s ALA 107 CO -0.11 0.28 -0.10 0.14 0.00 0.00 0.00 175.76 175.97 1ipw s VAL 108 N -1.15 2.99 0.27 0.00 -7.23 -0.71 -4.00 120.40 110.56 1ipw s VAL 108 Ca 0.03 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 1ipw s VAL 108 Cb -0.10 -2.57 -0.13 0.00 0.56 0.00 0.00 36.38 34.14 1ipw s VAL 108 CO 0.03 -0.36 1.39 -2.65 -0.31 0.00 0.00 175.10 173.20 1ipw n PRO 109 N -0.67 2.10 -1.29 4.82 -0.02 -1.26 -1.63 135.00 137.05 1ipw n PRO 109 Ca -0.06 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 1ipw n PRO 109 Cb 0.59 -2.39 0.11 0.00 -0.02 0.00 0.00 33.50 31.79 1ipw n PRO 109 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1ipw n HIS 110 N 1.51 1.34 0.15 6.00 -0.00 0.15 -4.72 115.22 119.65 1ipw n HIS 110 Ca 0.10 0.41 0.16 0.00 0.46 0.00 0.00 57.72 58.84 1ipw n HIS 110 Cb 0.33 -2.14 0.74 0.00 -0.12 0.00 0.00 29.99 28.80 1ipw n HIS 110 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1ipw h SER 111 N -0.47 0.00 1.35 0.26 0.02 -1.91 -1.65 113.55 111.15 1ipw h SER 111 Ca -0.48 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.41 1ipw h SER 111 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1ipw h SER 111 CO 0.48 0.00 -0.30 0.11 -1.14 0.00 0.00 176.83 175.98 1ipw h LYS 112 N 0.00 0.00 0.00 3.45 1.79 -1.96 -3.23 116.57 116.62 1ipw h LYS 112 Ca 0.12 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.37 1ipw h LYS 112 Cb 0.55 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1ipw h LYS 112 CO -0.00 0.30 -1.29 -0.07 -1.08 0.00 0.00 179.45 177.31 1ipw h LEU 113 N 0.00 0.00 -7.00 2.94 3.38 -1.66 -3.47 115.31 109.50 1ipw h LEU 113 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ipw h LEU 113 Cb 1.05 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.56 1ipw h LEU 113 CO 0.04 0.88 0.41 -0.55 0.09 0.00 0.00 178.44 179.31 1ipw s SER 114 N -6.30 -0.49 0.11 -0.43 0.15 -1.11 -5.04 113.70 100.59 1ipw s SER 114 Ca -0.01 0.83 0.23 0.00 0.70 0.00 0.00 55.95 57.69 1ipw s SER 114 Cb 0.09 0.80 0.09 0.00 -1.71 0.00 0.00 66.02 65.28 1ipw s SER 114 CO 0.81 -0.25 1.08 0.29 1.20 0.00 0.00 173.24 176.37 1ipw n LYS 115 N 1.81 0.41 0.22 5.44 4.01 -1.26 -3.98 118.16 124.81 1ipw n LYS 115 Ca -0.13 0.05 0.15 0.00 -0.51 0.00 0.00 58.31 57.87 1ipw n LYS 115 Cb 0.56 -1.69 0.60 0.00 -0.51 0.00 0.00 35.03 34.00 1ipw n LYS 115 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1ipw h GLU 116 N 0.00 0.00 -0.25 1.97 5.08 -1.95 -0.61 114.58 118.82 1ipw h GLU 116 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ipw h GLU 116 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ipw h GLU 116 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1ipw n TYR 117 N -3.05 0.32 -0.09 4.33 4.02 -1.26 -4.64 117.16 116.79 1ipw n TYR 117 Ca 0.03 -0.33 0.20 0.00 -0.01 0.00 0.00 57.90 57.79 1ipw n TYR 117 Cb 0.69 -0.02 0.63 0.00 -0.02 0.00 0.00 39.34 40.62 1ipw n TYR 117 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1ipw h ASP 118 N 2.17 0.14 -0.00 7.72 5.19 -1.39 0.85 116.42 131.09 1ipw h ASP 118 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1ipw h ASP 118 Cb 0.66 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1ipw h ASP 118 CO 0.00 0.07 0.00 0.00 -3.12 0.00 0.00 179.24 176.19 1ipw n HIS 119 N -4.40 0.00 -3.42 4.55 1.44 -1.26 -4.53 115.22 107.60 1ipw n HIS 119 Ca 0.13 -0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.40 1ipw n HIS 119 Cb 0.65 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.71 1ipw n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ipw s ILE 120 N -2.00 4.97 -0.06 0.61 1.01 0.29 -4.84 121.20 121.18 1ipw s ILE 120 Ca 0.46 -2.14 0.21 0.00 0.00 0.00 0.00 60.65 59.17 1ipw s ILE 120 Cb 0.22 -4.15 -0.32 0.00 0.01 0.00 0.00 42.46 38.22 1ipw s ILE 120 CO 0.36 -0.92 0.40 0.29 0.00 0.00 0.00 174.94 175.07 1ipw n LYS 121 N 4.43 0.67 -3.90 2.79 4.76 -1.26 -4.99 118.16 120.67 1ipw n LYS 121 Ca 0.01 -0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 55.20 1ipw n LYS 121 Cb 0.43 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 32.04 1ipw n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ipw s ASP 122 N -4.64 -0.02 0.50 4.39 -1.08 -1.26 -4.77 116.67 109.78 1ipw s ASP 122 Ca -0.08 -0.76 0.35 0.00 -0.52 0.00 0.00 52.55 51.54 1ipw s ASP 122 Cb 0.12 0.46 1.48 0.00 -1.46 0.00 0.00 42.92 43.52 1ipw s ASP 122 CO 0.88 -0.91 1.71 1.62 0.52 0.00 0.00 175.17 178.99 1ipw h VAL 123 N 2.49 0.28 0.00 1.11 3.04 -0.42 0.39 116.25 123.14 1ipw h VAL 123 Ca -0.31 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1ipw h VAL 123 Cb 1.23 0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1ipw h VAL 123 CO 0.47 0.02 -0.02 0.78 -1.01 0.00 0.00 177.57 177.81 1ipw h ASN 124 N 0.09 0.00 0.93 3.17 2.35 -1.95 -2.99 115.58 117.18 1ipw h ASN 124 Ca 0.70 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.45 1ipw h ASN 124 Cb 2.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.88 1ipw h ASN 124 CO -0.15 0.02 -0.28 0.47 -1.65 0.00 0.00 177.43 175.84 1ipw n ASP 125 N -3.11 0.45 -4.77 5.81 8.00 0.14 -4.86 116.55 118.21 1ipw n ASP 125 Ca 0.01 0.23 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 1ipw n ASP 125 Cb 0.37 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1ipw n ASP 125 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ipw s LEU 126 N -3.58 4.42 0.22 0.64 1.43 -1.13 -4.87 118.68 115.81 1ipw s LEU 126 Ca 0.11 2.39 -0.32 0.00 -1.03 0.00 0.00 54.13 55.28 1ipw s LEU 126 Cb 0.16 -3.75 -0.13 0.00 0.03 0.00 0.00 46.19 42.50 1ipw s LEU 126 CO 0.63 -0.38 1.50 -2.65 0.23 0.00 0.00 176.35 175.68 1ipw n PRO 127 N 0.77 2.21 -0.29 1.29 -0.02 -1.26 -4.84 135.00 132.86 1ipw n PRO 127 Ca 0.01 0.79 0.09 0.00 -2.02 0.00 0.00 63.50 62.37 1ipw n PRO 127 Cb 0.45 -2.51 0.33 0.00 -0.02 0.00 0.00 33.50 31.75 1ipw n PRO 127 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ipw h GLU 128 N 4.90 0.78 -0.33 -0.52 4.22 -1.92 -1.81 114.58 119.91 1ipw h GLU 128 Ca -0.45 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1ipw h GLU 128 Cb 1.26 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1ipw h GLU 128 CO 0.81 0.52 0.22 1.25 -2.18 0.00 0.00 179.01 179.62 1ipw h LEU 129 N 0.81 0.37 -0.70 1.64 5.85 -1.99 0.18 115.31 121.47 1ipw h LEU 129 Ca 0.44 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.20 1ipw h LEU 129 Cb 0.57 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1ipw h LEU 129 CO -0.21 0.27 0.41 0.25 -0.34 0.00 0.00 178.44 178.82 1ipw h LEU 130 N 0.44 0.63 -0.91 2.25 5.85 -1.72 0.44 115.31 122.30 1ipw h LEU 130 Ca 0.12 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1ipw h LEU 130 Cb -0.05 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1ipw h LEU 130 CO -0.03 0.42 0.02 0.11 -0.34 0.00 0.00 178.44 178.63 1ipw h LYS 131 N 0.77 0.83 -0.45 1.25 1.57 -0.84 -1.80 116.57 117.90 1ipw h LYS 131 Ca 0.30 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1ipw h LYS 131 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ipw h LYS 131 CO -0.16 0.82 -0.07 0.00 -0.57 0.00 0.00 179.45 179.47 1ipw h ALA 132 N 1.25 0.62 -0.53 3.86 0.00 0.30 -2.14 119.26 122.62 1ipw h ALA 132 Ca 0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1ipw h ALA 132 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ipw h ALA 132 CO 0.02 0.48 0.06 1.96 0.00 0.00 0.00 179.25 181.76 1ipw h GLN 133 N 0.68 0.90 -0.16 0.00 4.20 -0.75 -0.58 115.11 119.40 1ipw h GLN 133 Ca 0.12 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1ipw h GLN 133 Cb 0.60 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1ipw h GLN 133 CO 0.04 0.89 0.08 0.82 -0.67 0.00 0.00 178.83 179.99 1ipw h ILE 134 N 0.78 1.11 -0.23 2.54 2.04 -1.26 -0.79 117.51 121.71 1ipw h ILE 134 Ca 0.16 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1ipw h ILE 134 Cb 0.44 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1ipw h ILE 134 CO 0.02 0.10 0.13 0.00 0.00 0.00 0.00 178.15 178.40 1ipw h ALA 135 N 0.97 0.29 -0.96 1.87 0.00 -1.23 -1.84 119.26 118.36 1ipw h ALA 135 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ipw h ALA 135 Cb 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1ipw h ALA 135 CO -0.01 -0.19 0.63 1.25 0.00 0.00 0.00 179.25 180.93 1ipw h HIS 136 N 0.27 1.20 0.39 0.00 -0.00 -1.05 -0.91 115.15 115.04 1ipw h HIS 136 Ca 0.08 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1ipw h HIS 136 Cb 0.04 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.05 1ipw h HIS 136 CO -0.04 0.73 -0.19 0.35 -0.00 0.00 0.00 177.93 178.78 1ipw h PHE 137 N 1.27 -0.49 -0.06 5.26 3.57 -0.66 -0.23 116.94 125.59 1ipw h PHE 137 Ca 0.36 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1ipw h PHE 137 Cb -0.10 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1ipw h PHE 137 CO -0.00 -0.20 -0.03 0.74 -2.23 0.00 0.00 178.31 176.59 1ipw h PHE 138 N -0.72 0.08 0.00 0.41 0.04 -1.32 0.42 116.94 115.85 1ipw h PHE 138 Ca -0.05 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 1ipw h PHE 138 Cb 0.51 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1ipw h PHE 138 CO -0.01 0.12 -0.19 1.49 -0.60 0.00 0.00 178.31 179.12 1ipw h GLU 139 N 0.09 0.00 0.00 1.51 4.81 -0.85 -3.38 114.58 116.76 1ipw h GLU 139 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ipw h GLU 139 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ipw h GLU 139 CO 0.00 0.19 -0.49 0.72 -0.73 0.00 0.00 179.01 178.71 1ipw n HIS 140 N -3.24 0.00 0.17 0.92 8.25 -0.13 -4.70 115.22 116.48 1ipw n HIS 140 Ca 0.01 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.66 1ipw n HIS 140 Cb 0.49 0.00 0.80 0.00 1.12 0.00 0.00 29.99 32.40 1ipw n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1ipw h TYR 141 N 0.00 0.00 -0.62 4.41 -0.00 -0.40 -1.25 116.97 119.11 1ipw h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ipw h TYR 141 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1ipw h TYR 141 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1ipw n LYS 142 N -3.78 3.26 0.08 0.10 5.02 -1.26 -4.34 118.16 117.24 1ipw n LYS 142 Ca 0.04 -2.71 0.17 0.00 -2.02 0.00 0.00 58.31 53.79 1ipw n LYS 142 Cb 0.43 -1.70 0.69 0.00 -0.02 0.00 0.00 35.03 34.43 1ipw n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ipw h ASP 143 N 3.75 0.00 -0.44 4.39 3.32 -1.53 -0.55 116.42 125.37 1ipw h ASP 143 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ipw h ASP 143 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1ipw h ASP 143 CO 0.13 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.83 1ipw n LEU 144 N -4.34 3.49 -4.37 1.55 4.77 -1.26 -4.83 117.00 112.01 1ipw n LEU 144 Ca 0.06 -1.76 -0.36 0.00 -0.03 0.00 0.00 56.01 53.92 1ipw n LEU 144 Cb 0.47 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.93 1ipw n LEU 144 CO 0.35 0.57 -0.32 -1.61 -1.33 0.00 0.00 177.39 175.06 1ipw s GLU 145 N -1.80 3.43 0.13 3.23 2.02 -0.22 -4.98 118.70 120.51 1ipw s GLU 145 Ca 0.35 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.41 1ipw s GLU 145 Cb 0.23 -3.21 -0.10 0.00 0.10 0.00 0.00 34.13 31.15 1ipw s GLU 145 CO 0.16 -0.25 1.63 -1.59 0.02 0.00 0.00 175.26 175.23 1ipw s LYS 146 N 1.54 4.20 0.00 1.61 -2.85 -1.26 -2.70 119.74 120.27 1ipw s LYS 146 Ca 0.05 2.39 0.00 0.00 -1.00 0.00 0.00 55.97 57.41 1ipw s LYS 146 Cb -0.15 -3.33 0.00 0.00 -2.06 0.00 0.00 37.83 32.28 1ipw s LYS 146 CO 0.01 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.19 1ipw n GLY 147 N 3.89 0.57 3.41 0.59 0.00 -1.26 -5.04 105.19 107.36 1ipw n GLY 147 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1ipw n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ipw s LYS 148 N -0.01 2.94 -0.03 1.61 -0.14 -1.10 -4.86 119.74 118.15 1ipw s LYS 148 Ca 0.00 -0.70 -0.17 0.00 -1.36 0.00 0.00 55.97 53.74 1ipw s LYS 148 Cb 0.00 -2.49 0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1ipw s LYS 148 CO 0.00 0.41 0.37 1.67 -0.76 0.00 0.00 175.35 177.04 1ipw s TRP 149 N -0.18 -0.26 -0.02 3.18 1.48 -1.26 -4.78 118.94 117.10 1ipw s TRP 149 Ca -0.00 0.44 0.04 0.00 -1.06 0.00 0.00 56.10 55.51 1ipw s TRP 149 Cb -0.13 0.14 -0.01 0.00 -1.16 0.00 0.00 33.47 32.31 1ipw s TRP 149 CO 0.03 -0.41 -0.13 0.08 -4.06 0.00 0.00 176.95 172.47 1ipw s VAL 150 N -1.20 1.02 -0.28 -0.66 1.01 -1.26 -1.92 120.40 117.10 1ipw s VAL 150 Ca -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1ipw s VAL 150 Cb -0.04 -0.86 0.09 0.00 0.00 0.00 0.00 36.38 35.56 1ipw s VAL 150 CO 0.05 0.29 0.06 -0.75 0.00 0.00 0.00 175.10 174.75 1ipw s LYS 151 N -0.15 0.90 0.16 2.72 2.20 0.11 -4.82 119.74 120.85 1ipw s LYS 151 Ca 0.02 -1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 54.32 1ipw s LYS 151 Cb -0.07 -2.20 -0.08 0.00 -1.51 0.00 0.00 37.83 33.98 1ipw s LYS 151 CO 0.00 -0.86 1.28 0.08 -0.36 0.00 0.00 175.35 175.49 1ipw s VAL 152 N 1.57 3.44 -0.12 4.02 1.01 -1.26 -0.52 120.40 128.53 1ipw s VAL 152 Ca 0.06 1.13 0.15 0.00 0.00 0.00 0.00 61.98 63.31 1ipw s VAL 152 Cb -0.18 -3.72 -0.21 0.00 0.00 0.00 0.00 36.38 32.27 1ipw s VAL 152 CO -0.18 0.14 0.14 -0.62 0.00 0.00 0.00 175.10 174.59 1ipw n GLU 153 N 3.05 1.19 0.00 2.72 1.02 0.12 -4.92 120.64 123.82 1ipw n GLU 153 Ca 0.07 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1ipw n GLU 153 Cb 0.44 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1ipw n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ipw n GLY 154 N 1.90 0.56 3.88 0.62 0.00 -0.97 -4.99 105.19 106.18 1ipw n GLY 154 Ca -0.19 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 1ipw n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ipw s TRP 155 N -1.84 3.10 0.06 1.61 0.52 -1.26 0.01 118.94 121.13 1ipw s TRP 155 Ca 0.00 -0.17 -0.04 0.00 0.02 0.00 0.00 56.10 55.91 1ipw s TRP 155 Cb 0.00 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1ipw s TRP 155 CO 0.00 0.33 0.05 -1.21 0.02 0.00 0.00 176.95 176.14 1ipw s GLU 156 N -3.96 0.66 1.00 4.98 2.02 -0.11 -4.91 118.70 118.39 1ipw s GLU 156 Ca 0.37 -1.06 -0.17 0.00 0.02 0.00 0.00 54.97 54.14 1ipw s GLU 156 Cb -0.08 0.25 0.24 0.00 0.10 0.00 0.00 34.13 34.64 1ipw s GLU 156 CO 0.27 -0.16 1.03 0.27 0.02 0.00 0.00 175.26 176.69 1ipw n ASN 157 N 0.21 -1.29 -0.17 -0.19 0.23 -1.26 -1.82 115.26 110.97 1ipw n ASN 157 Ca -0.15 -1.20 -0.03 0.00 -0.53 0.00 0.00 54.58 52.67 1ipw n ASN 157 Cb 0.61 -0.88 0.07 0.00 -2.08 0.00 0.00 39.78 37.49 1ipw n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ipw h ALA 158 N -2.38 0.68 -0.63 -2.53 0.00 -1.86 -1.49 119.26 111.06 1ipw h ALA 158 Ca -0.37 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1ipw h ALA 158 Cb 1.08 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1ipw h ALA 158 CO 0.25 -0.13 0.37 0.93 0.00 0.00 0.00 179.25 180.66 1ipw h GLU 159 N 0.46 0.68 -0.59 0.00 4.39 -1.92 0.29 114.58 117.87 1ipw h GLU 159 Ca 0.25 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 1ipw h GLU 159 Cb 0.21 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1ipw h GLU 159 CO -0.21 0.45 0.10 0.00 -1.16 0.00 0.00 179.01 178.19 1ipw h ALA 160 N 1.30 1.05 0.06 3.43 0.00 -1.77 -0.79 119.26 122.53 1ipw h ALA 160 Ca 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ipw h ALA 160 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ipw h ALA 160 CO -0.14 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 1ipw h ALA 161 N 1.20 -0.07 -0.50 0.00 0.00 -0.20 -1.40 119.26 118.28 1ipw h ALA 161 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ipw h ALA 161 Cb 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ipw h ALA 161 CO 0.01 -0.46 0.28 0.87 0.00 0.00 0.00 179.25 179.95 1ipw h LYS 162 N -0.24 0.67 -0.57 0.00 1.57 -0.34 -1.55 116.57 116.11 1ipw h LYS 162 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1ipw h LYS 162 Cb 0.21 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1ipw h LYS 162 CO 0.01 0.48 0.28 0.00 -0.57 0.00 0.00 179.45 179.65 1ipw h ALA 163 N 1.63 0.73 -0.75 3.86 0.00 -0.76 -1.44 119.26 122.53 1ipw h ALA 163 Ca 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ipw h ALA 163 Cb -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1ipw h ALA 163 CO -0.03 0.29 0.50 1.49 0.00 0.00 0.00 179.25 181.50 1ipw h GLU 164 N 0.77 0.98 -0.06 0.00 4.57 -0.28 -1.61 114.58 118.95 1ipw h GLU 164 Ca 0.20 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1ipw h GLU 164 Cb 0.11 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1ipw h GLU 164 CO -0.03 0.65 0.02 0.82 -1.18 0.00 0.00 179.01 179.30 1ipw h ILE 165 N 1.01 1.14 0.01 2.32 2.04 -0.91 -1.20 117.51 121.92 1ipw h ILE 165 Ca 0.27 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1ipw h ILE 165 Cb -0.12 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1ipw h ILE 165 CO -0.06 0.12 -0.00 0.58 0.00 0.00 0.00 178.15 178.78 1ipw h VAL 166 N -0.06 1.19 -0.49 1.67 2.07 -1.20 -0.41 116.25 119.02 1ipw h VAL 166 Ca 0.02 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.04 1ipw h VAL 166 Cb 0.17 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 1ipw h VAL 166 CO -0.00 0.15 0.03 0.00 0.02 0.00 0.00 177.57 177.77 1ipw h ALA 167 N 0.72 0.48 -0.05 1.67 0.00 -1.27 0.83 119.26 121.65 1ipw h ALA 167 Ca -0.00 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1ipw h ALA 167 Cb 0.26 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ipw h ALA 167 CO 0.00 -0.37 -0.47 0.77 0.00 0.00 0.00 179.25 179.18 1ipw h SER 168 N 0.15 0.14 0.21 0.00 0.02 -1.18 0.69 113.55 113.57 1ipw h SER 168 Ca 0.24 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1ipw h SER 168 Cb 0.36 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1ipw h SER 168 CO -0.38 0.60 -0.10 0.15 -1.14 0.00 0.00 176.83 175.95 1ipw h PHE 169 N 0.11 -0.26 -0.65 3.45 3.57 -0.16 0.81 116.94 123.81 1ipw h PHE 169 Ca 0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1ipw h PHE 169 Cb 0.88 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1ipw h PHE 169 CO 0.01 0.13 0.37 0.93 -2.23 0.00 0.00 178.31 177.52 1ipw h GLU 170 N -0.77 0.68 -0.03 1.11 4.39 -0.77 0.16 114.58 119.34 1ipw h GLU 170 Ca -0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1ipw h GLU 170 Cb 0.51 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1ipw h GLU 170 CO 0.05 0.45 -0.03 -0.09 -1.16 0.00 0.00 179.01 178.23 1ipw h ARG 171 N 0.70 0.05 0.00 2.33 2.43 0.44 -1.37 114.38 118.96 1ipw h ARG 171 Ca 0.28 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1ipw h ARG 171 Cb 0.14 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1ipw h ARG 171 CO -0.16 0.09 0.00 0.00 -1.51 0.00 0.00 179.97 178.39 1ipw h ALA 172 N 1.92 1.00 0.00 2.80 0.00 0.16 -3.46 119.26 121.68 1ipw h ALA 172 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ipw h ALA 172 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ipw h ALA 172 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88