#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3r s GLU 33 N 0.00 2.50 -0.51 3.17 -1.05 -1.26 -5.08 118.70 116.48 1p3r s GLU 33 Ca 0.00 -0.90 -0.25 0.00 -0.15 0.00 0.00 54.97 53.67 1p3r s GLU 33 Cb 0.00 -2.50 0.03 0.00 -0.44 0.00 0.00 34.13 31.23 1p3r s GLU 33 CO 0.00 0.52 0.96 0.15 0.95 0.00 0.00 175.26 177.84 1p3r s LYS 34 N -2.44 3.46 0.32 -4.83 1.02 -1.26 -5.02 119.74 110.99 1p3r s LYS 34 Ca 0.26 0.01 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 1p3r s LYS 34 Cb -0.11 -3.98 -0.06 0.00 -0.52 0.00 0.00 37.83 33.16 1p3r s LYS 34 CO 0.18 -1.37 0.63 0.95 -0.92 0.00 0.00 175.35 174.82 1p3r s THR 35 N 3.95 4.92 0.50 2.17 -4.23 -1.26 -4.89 115.64 116.80 1p3r s THR 35 Ca 0.35 0.32 0.27 0.00 -1.18 0.00 0.00 61.69 61.45 1p3r s THR 35 Cb -0.11 -3.71 0.45 0.00 1.34 0.00 0.00 72.50 70.47 1p3r s THR 35 CO 0.24 -0.35 1.87 0.44 -0.54 0.00 0.00 174.62 176.28 1p3r h ASP 36 N 1.66 0.13 -0.29 3.99 5.19 -1.99 0.34 116.42 125.45 1p3r h ASP 36 Ca -0.47 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 55.83 1p3r h ASP 36 Cb 1.19 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1p3r h ASP 36 CO 0.66 0.05 -0.28 -0.08 -3.12 0.00 0.00 179.24 176.46 1p3r h GLU 37 N 0.13 0.71 0.09 3.56 4.81 -1.99 -1.85 114.58 120.03 1p3r h GLU 37 Ca 0.45 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1p3r h GLU 37 Cb 1.56 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1p3r h GLU 37 CO -0.07 0.99 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.24 1p3r h TYR 38 N 0.46 -0.11 -0.86 0.92 5.03 -0.76 -2.68 116.97 118.97 1p3r h TYR 38 Ca 0.05 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.38 1p3r h TYR 38 Cb 0.85 0.04 -0.05 0.00 1.55 0.00 0.00 36.73 39.12 1p3r h TYR 38 CO 0.07 0.11 0.56 -0.07 -1.32 0.00 0.00 178.16 177.52 1p3r h LEU 39 N -0.32 0.95 -0.92 2.82 3.38 -1.24 -1.46 115.31 118.52 1p3r h LEU 39 Ca -0.01 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1p3r h LEU 39 Cb 0.27 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1p3r h LEU 39 CO 0.02 0.66 0.60 -0.07 0.09 0.00 0.00 178.44 179.74 1p3r h LEU 40 N 1.11 0.99 -0.63 1.67 -0.00 -1.26 -0.87 115.31 116.32 1p3r h LEU 40 Ca 0.34 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 58.06 1p3r h LEU 40 Cb -0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.38 1p3r h LEU 40 CO -0.10 0.68 -0.58 0.00 -0.00 0.00 0.00 178.44 178.43 1p3r h ALA 41 N 1.38 0.82 -0.11 1.53 0.00 -1.07 -1.81 119.26 120.00 1p3r h ALA 41 Ca 0.37 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1p3r h ALA 41 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1p3r h ALA 41 CO -0.12 0.71 -0.01 -0.09 0.00 0.00 0.00 179.25 179.74 1p3r h ARG 42 N 0.24 0.20 -0.17 0.00 2.43 -0.52 -3.27 114.38 113.28 1p3r h ARG 42 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1p3r h ARG 42 Cb 1.09 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1p3r h ARG 42 CO 0.10 0.48 0.00 1.19 -1.51 0.00 0.00 179.97 180.22 1p3r n PHE 43 N -4.78 0.21 -2.54 2.20 3.72 -0.40 -4.04 117.46 111.82 1p3r n PHE 43 Ca -0.06 -0.10 -0.37 0.00 -0.05 0.00 0.00 57.45 56.87 1p3r n PHE 43 Cb 0.22 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 1p3r n PHE 43 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1p3r s LYS 44 N -1.79 4.21 7.84 -1.08 2.47 -0.68 -0.91 119.74 129.80 1p3r s LYS 44 Ca 0.34 1.53 0.00 0.00 -1.56 0.00 0.00 55.97 56.28 1p3r s LYS 44 Cb 0.20 -2.59 0.00 0.00 -1.46 0.00 0.00 37.83 33.98 1p3r s LYS 44 CO 0.30 -0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.11 1p3r n GLY 45 N 0.40 3.27 0.00 5.54 0.00 -1.26 -2.15 105.19 111.00 1p3r n GLY 45 Ca 0.04 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.07 1p3r n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p3r n ASP 46 N 8.38 0.00 0.00 1.61 8.00 -1.26 -4.71 116.55 128.57 1p3r n ASP 46 Ca 0.00 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1p3r n ASP 46 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1p3r n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p3r n GLY 47 N 1.02 1.80 3.78 0.44 0.00 -0.91 -4.70 105.19 106.63 1p3r n GLY 47 Ca 0.22 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1p3r n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3r s VAL 48 N 0.00 4.18 -0.01 1.61 -7.23 0.37 -4.91 120.40 114.41 1p3r s VAL 48 Ca 0.00 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1p3r s VAL 48 Cb 0.00 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.68 1p3r s VAL 48 CO 0.00 -0.35 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.66 1p3r s LYS 49 N -3.81 0.40 -0.02 4.82 2.20 -1.26 -0.77 119.74 121.30 1p3r s LYS 49 Ca 0.33 -0.09 0.04 0.00 -0.36 0.00 0.00 55.97 55.89 1p3r s LYS 49 Cb -0.07 -0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 35.80 1p3r s LYS 49 CO 0.24 0.01 -0.13 0.71 -0.36 0.00 0.00 175.35 175.82 1p3r s TYR 50 N 0.31 1.22 0.10 4.03 2.02 -0.01 -4.95 117.35 120.07 1p3r s TYR 50 Ca -0.03 -0.26 -0.29 0.00 -0.37 0.00 0.00 57.07 56.12 1p3r s TYR 50 Cb -0.06 -0.81 -0.06 0.00 -0.40 0.00 0.00 41.96 40.63 1p3r s TYR 50 CO -0.00 -0.05 0.92 0.21 -1.57 0.00 0.00 175.55 175.05 1p3r s LYS 51 N -0.19 4.66 0.00 -0.62 2.20 -1.26 0.01 119.74 124.54 1p3r s LYS 51 Ca 0.03 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 1p3r s LYS 51 Cb -0.06 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1p3r s LYS 51 CO -0.00 0.25 0.00 0.00 -0.36 0.00 0.00 175.35 175.24 1p3r n ALA 52 N 2.71 0.00 -2.78 3.13 0.00 -0.31 -1.77 120.51 121.48 1p3r n ALA 52 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1p3r n ALA 52 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 1p3r n ALA 52 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p3r s LYS 53 N -1.96 0.51 -0.45 0.00 1.02 0.28 -0.52 119.74 118.61 1p3r s LYS 53 Ca 0.00 -0.42 -0.23 0.00 0.02 0.00 0.00 55.97 55.34 1p3r s LYS 53 Cb 0.00 -0.42 0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1p3r s LYS 53 CO 0.00 0.10 0.79 -1.17 -0.92 0.00 0.00 175.35 174.15 1p3r s LEU 54 N -0.68 4.25 0.13 3.17 2.96 -0.40 -1.28 118.68 126.84 1p3r s LEU 54 Ca -0.02 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.66 1p3r s LEU 54 Cb -0.05 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 1p3r s LEU 54 CO 0.00 -0.92 1.49 0.40 -1.32 0.00 0.00 176.35 176.00 1p3r h ILE 55 N 5.98 1.28 0.00 6.68 2.04 -1.31 -3.35 117.51 128.83 1p3r h ILE 55 Ca -0.25 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1p3r h ILE 55 Cb 1.09 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1p3r h ILE 55 CO 0.96 0.48 0.00 0.61 0.00 0.00 0.00 178.15 180.20 1p3r n GLY 56 N 0.03 -0.22 3.10 5.37 0.00 -1.18 -4.75 105.19 107.54 1p3r n GLY 56 Ca -0.02 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 1p3r n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p3r s ILE 57 N -2.00 1.08 -0.06 -0.61 1.01 -1.26 -1.59 121.20 117.76 1p3r s ILE 57 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1p3r s ILE 57 Cb 0.00 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.60 1p3r s ILE 57 CO 0.00 0.31 0.15 -0.62 0.00 0.00 0.00 174.94 174.77 1p3r s ASP 58 N -0.31 -0.13 0.14 3.58 2.15 -0.56 -4.97 116.67 116.57 1p3r s ASP 58 Ca 0.05 0.31 -0.30 0.00 0.43 0.00 0.00 52.55 53.04 1p3r s ASP 58 Cb -0.05 0.22 -0.07 0.00 -0.30 0.00 0.00 42.92 42.72 1p3r s ASP 58 CO -0.00 -0.12 1.18 -1.81 -0.17 0.00 0.00 175.17 174.25 1p3r s ASP 59 N 0.89 7.11 0.12 -0.34 -0.00 -1.26 0.41 116.67 123.59 1p3r s ASP 59 Ca -0.07 2.13 0.08 0.00 -0.00 0.00 0.00 52.55 54.69 1p3r s ASP 59 Cb -0.09 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.20 1p3r s ASP 59 CO -0.04 -0.38 -0.19 0.68 -0.00 0.00 0.00 175.17 175.23 1p3r s VAL 60 N 0.32 1.67 0.35 -1.27 -7.23 -0.41 -4.88 120.40 108.95 1p3r s VAL 60 Ca 0.54 -1.62 0.11 0.00 -1.81 0.00 0.00 61.98 59.20 1p3r s VAL 60 Cb -0.31 -1.58 0.07 0.00 0.56 0.00 0.00 36.38 35.12 1p3r s VAL 60 CO 0.34 -0.16 1.79 1.55 -0.31 0.00 0.00 175.10 178.31 1p3r h PRO 61 N 3.86 0.04 -5.26 4.82 0.13 -1.96 -3.36 132.00 130.27 1p3r h PRO 61 Ca -0.44 -0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.15 1p3r h PRO 61 Cb 1.19 -0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1p3r h PRO 61 CO 0.43 0.43 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.53 1p3r s ASP 62 N -6.92 2.71 0.27 1.44 1.11 -1.26 -4.89 116.67 109.14 1p3r s ASP 62 Ca -0.03 -1.42 0.24 0.00 0.18 0.00 0.00 52.55 51.52 1p3r s ASP 62 Cb 0.14 -0.03 0.40 0.00 1.07 0.00 0.00 42.92 44.50 1p3r s ASP 62 CO 0.74 -0.64 1.49 0.00 1.18 0.00 0.00 175.17 177.95 1p3r h ALA 63 N 1.99 0.83 -2.63 5.23 0.00 -1.97 -3.46 119.26 119.25 1p3r h ALA 63 Ca -0.41 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1p3r h ALA 63 Cb 1.25 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1p3r h ALA 63 CO 0.70 0.00 -0.37 1.03 0.00 0.00 0.00 179.25 180.61 1p3r s ARG 64 N -3.20 1.18 0.00 0.00 0.52 -1.26 -3.91 118.95 112.28 1p3r s ARG 64 Ca 0.06 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 1p3r s ARG 64 Cb 0.09 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.92 1p3r s ARG 64 CO 0.68 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.99 1p3r n GLY 65 N -0.23 3.65 0.06 -3.53 0.00 -1.26 -4.89 105.19 99.00 1p3r n GLY 65 Ca -0.05 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1p3r n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p3r h ASP 66 N 0.00 0.03 -0.33 1.61 3.45 -1.99 -1.56 116.42 117.63 1p3r h ASP 66 Ca 0.00 -0.47 -0.04 0.00 0.43 0.00 0.00 57.03 56.95 1p3r h ASP 66 Cb 0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1p3r h ASP 66 CO 0.00 0.49 0.03 0.50 -1.57 0.00 0.00 179.24 178.69 1p3r h LYS 67 N -0.43 0.55 -0.58 3.56 3.11 -1.99 -1.13 116.57 119.66 1p3r h LYS 67 Ca 0.00 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.69 1p3r h LYS 67 Cb 0.48 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.62 1p3r h LYS 67 CO 0.00 0.65 0.37 1.98 -2.81 0.00 0.00 179.45 179.65 1p3r h MET 68 N 0.37 0.77 -0.60 1.90 4.05 -1.90 -1.19 114.93 118.32 1p3r h MET 68 Ca 0.10 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.37 1p3r h MET 68 Cb 0.38 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1p3r h MET 68 CO 0.01 0.52 -0.01 0.77 0.23 0.00 0.00 176.91 178.43 1p3r h SER 69 N 0.78 1.04 -0.36 1.39 0.02 -1.16 -2.68 113.55 112.59 1p3r h SER 69 Ca 0.21 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1p3r h SER 69 Cb -0.07 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 1p3r h SER 69 CO -0.04 1.10 0.14 -0.61 -1.14 0.00 0.00 176.83 176.28 1p3r h GLN 70 N 0.96 0.54 -0.64 3.45 4.15 -0.90 -1.32 115.11 121.35 1p3r h GLN 70 Ca 0.17 -0.10 0.06 0.00 0.77 0.00 0.00 58.65 59.55 1p3r h GLN 70 Cb 0.57 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.12 1p3r h GLN 70 CO 0.03 0.52 0.35 -0.44 -1.93 0.00 0.00 178.83 177.37 1p3r h ASP 71 N 0.44 0.52 -0.11 -0.69 3.45 -1.14 0.43 116.42 119.32 1p3r h ASP 71 Ca 0.12 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 1p3r h ASP 71 Cb 0.18 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.88 1p3r h ASP 71 CO -0.01 0.34 0.03 0.28 -1.57 0.00 0.00 179.24 178.31 1p3r h SER 72 N 0.66 0.16 -0.71 6.45 0.02 -1.30 -1.69 113.55 117.13 1p3r h SER 72 Ca 0.28 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1p3r h SER 72 Cb 0.17 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 1p3r h SER 72 CO -0.18 0.34 0.44 -0.03 -1.14 0.00 0.00 176.83 176.26 1p3r h MET 73 N -0.03 0.83 -0.48 3.45 1.85 -0.90 0.43 114.93 120.08 1p3r h MET 73 Ca 0.03 -0.05 -0.10 0.00 -0.61 0.00 0.00 59.70 58.98 1p3r h MET 73 Cb 0.24 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1p3r h MET 73 CO -0.00 0.55 -0.08 0.52 -0.40 0.00 0.00 176.91 177.50 1p3r h MET 74 N 0.85 0.90 -0.33 0.39 2.07 -0.84 -1.06 114.93 116.91 1p3r h MET 74 Ca 0.29 -0.33 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 1p3r h MET 74 Cb 0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1p3r h MET 74 CO -0.12 0.97 0.04 -0.22 1.07 0.00 0.00 176.91 178.64 1p3r h LYS 75 N 0.75 0.56 -0.51 1.72 3.64 -0.97 -1.01 116.57 120.74 1p3r h LYS 75 Ca 0.13 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1p3r h LYS 75 Cb 0.62 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1p3r h LYS 75 CO 0.04 0.66 0.06 -0.07 -2.27 0.00 0.00 179.45 177.87 1p3r h LEU 76 N 0.38 0.77 -0.80 5.20 3.38 -0.84 -0.94 115.31 122.46 1p3r h LEU 76 Ca 0.10 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1p3r h LEU 76 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1p3r h LEU 76 CO 0.01 0.80 -0.42 0.11 0.09 0.00 0.00 178.44 179.04 1p3r h LYS 77 N 0.77 0.39 -0.47 1.13 1.57 -1.09 0.03 116.57 118.90 1p3r h LYS 77 Ca 0.16 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1p3r h LYS 77 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1p3r h LYS 77 CO 0.01 0.74 0.18 0.78 -0.57 0.00 0.00 179.45 180.59 1p3r h GLY 78 N 1.16 0.76 0.98 3.86 0.00 -0.48 -1.50 103.07 107.85 1p3r h GLY 78 Ca 0.03 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1p3r h GLY 78 CO 0.07 0.40 0.07 -0.33 0.00 0.00 0.00 176.54 176.75 1p3r h MET 79 N 0.62 0.81 -0.27 4.80 2.86 -0.92 -1.92 114.93 120.91 1p3r h MET 79 Ca 0.16 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1p3r h MET 79 Cb 0.21 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1p3r h MET 79 CO -0.01 0.82 -0.00 0.00 1.06 0.00 0.00 176.91 178.78 1p3r h ALA 80 N 0.96 1.49 -0.27 6.32 0.00 -0.85 -1.97 119.26 124.95 1p3r h ALA 80 Ca 0.15 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1p3r h ALA 80 Cb 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1p3r h ALA 80 CO 0.01 0.37 -0.56 0.00 0.00 0.00 0.00 179.25 179.07 1p3r h ALA 81 N 1.61 0.51 -0.76 0.00 0.00 -1.00 -1.12 119.26 118.50 1p3r h ALA 81 Ca 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1p3r h ALA 81 Cb 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1p3r h ALA 81 CO 0.01 0.68 0.41 0.00 0.00 0.00 0.00 179.25 180.35 1p3r h ALA 82 N 0.74 1.29 -0.29 0.00 0.00 -0.93 -2.23 119.26 117.84 1p3r h ALA 82 Ca 0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1p3r h ALA 82 Cb 1.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1p3r h ALA 82 CO 0.12 0.57 -0.27 0.78 0.00 0.00 0.00 179.25 180.45 1p3r h GLY 83 N 1.10 0.76 1.88 0.00 0.00 -1.17 -3.14 103.07 102.49 1p3r h GLY 83 Ca 0.27 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1p3r h GLY 83 CO -0.04 0.69 0.01 -0.09 0.00 0.00 0.00 176.54 177.11 1p3r h ARG 84 N 0.44 0.16 0.00 4.80 2.43 -0.83 0.44 114.38 121.82 1p3r h ARG 84 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1p3r h ARG 84 Cb 0.84 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1p3r h ARG 84 CO 0.07 0.17 0.00 -1.13 -1.51 0.00 0.00 179.97 177.57 1p3r n SER 85 N -4.45 0.01 -0.58 -3.80 3.41 -0.87 -1.97 113.62 105.37 1p3r n SER 85 Ca -0.01 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 1p3r n SER 85 Cb 0.13 -0.51 0.20 0.00 -0.26 0.00 0.00 64.21 63.78 1p3r n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p3r n GLN 86 N -1.51 2.09 -0.99 4.33 1.13 0.01 -4.97 117.38 117.47 1p3r n GLN 86 Ca 0.04 -2.80 0.00 0.00 -1.94 0.00 0.00 57.00 52.29 1p3r n GLN 86 Cb 0.19 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 28.84 1p3r n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3r n GLY 87 N -0.98 0.74 3.73 1.08 0.00 -0.83 -5.03 105.19 103.91 1p3r n GLY 87 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1p3r n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p3r s GLN 88 N -0.01 4.25 0.23 1.61 -0.21 -0.40 -4.96 119.66 120.17 1p3r s GLN 88 Ca 0.00 0.15 0.10 0.00 0.02 0.00 0.00 55.36 55.63 1p3r s GLN 88 Cb 0.00 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 1p3r s GLN 88 CO 0.00 0.24 -0.10 -1.01 -2.12 0.00 0.00 175.29 172.30 1p3r s HIS 89 N 0.44 2.55 0.62 0.91 3.76 -1.26 -2.38 115.29 119.94 1p3r s HIS 89 Ca 0.18 -0.26 -0.18 0.00 -0.15 0.00 0.00 55.06 54.66 1p3r s HIS 89 Cb -0.13 -1.19 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 1p3r s HIS 89 CO 0.05 0.59 1.19 0.15 -0.85 0.00 0.00 174.74 175.86 1p3r s LYS 90 N -3.21 2.82 0.06 1.40 1.02 -1.26 -4.96 119.74 115.61 1p3r s LYS 90 Ca 0.27 1.74 -0.31 0.00 0.02 0.00 0.00 55.97 57.69 1p3r s LYS 90 Cb -0.07 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.25 1p3r s LYS 90 CO 0.16 -1.30 1.32 -1.14 -0.92 0.00 0.00 175.35 173.47 1p3r s GLN 91 N -3.54 4.35 0.09 1.68 0.74 -1.26 -4.83 119.66 116.89 1p3r s GLN 91 Ca 0.75 1.93 -0.30 0.00 0.05 0.00 0.00 55.36 57.79 1p3r s GLN 91 Cb -0.28 -3.37 -0.06 0.00 1.10 0.00 0.00 33.01 30.40 1p3r s GLN 91 CO 0.36 -0.41 1.11 1.03 -0.55 0.00 0.00 175.29 176.83 1p3r s ARG 92 N 1.44 4.53 0.30 1.67 1.81 -1.26 -1.27 118.95 126.16 1p3r s ARG 92 Ca 0.62 1.66 0.03 0.00 -1.72 0.00 0.00 55.73 56.32 1p3r s ARG 92 Cb -0.33 -3.35 -0.02 0.00 -0.45 0.00 0.00 34.95 30.80 1p3r s ARG 92 CO 0.29 -0.07 0.29 0.96 -0.68 0.00 0.00 175.30 176.09 1p3r s ILE 93 N 0.53 0.00 -0.06 1.52 -4.36 0.32 -2.03 121.20 117.12 1p3r s ILE 93 Ca 0.53 -1.89 0.06 0.00 -0.26 0.00 0.00 60.65 59.09 1p3r s ILE 93 Cb -0.27 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 1p3r s ILE 93 CO 0.31 0.00 -0.24 0.26 0.24 0.00 0.00 174.94 175.51 1p3r s TRP 94 N -3.55 2.47 -0.33 1.37 0.52 0.36 -1.17 118.94 118.60 1p3r s TRP 94 Ca 0.38 -0.71 -0.08 0.00 0.02 0.00 0.00 56.10 55.70 1p3r s TRP 94 Cb 0.03 -1.61 0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1p3r s TRP 94 CO 0.22 -0.21 0.13 0.08 0.02 0.00 0.00 176.95 177.19 1p3r s VAL 95 N -0.15 4.11 -0.23 4.03 1.01 0.10 -1.57 120.40 127.70 1p3r s VAL 95 Ca -0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1p3r s VAL 95 Cb -0.14 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1p3r s VAL 95 CO 0.04 -0.10 0.13 0.21 0.00 0.00 0.00 175.10 175.38 1p3r s ASN 96 N 1.49 5.91 -0.14 3.32 3.84 -0.41 -0.83 114.94 128.12 1p3r s ASN 96 Ca 0.01 0.07 0.01 0.00 0.21 0.00 0.00 52.86 53.16 1p3r s ASN 96 Cb -0.19 -2.06 -0.00 0.00 -0.55 0.00 0.00 41.25 38.46 1p3r s ASN 96 CO 0.04 0.07 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.62 1p3r s ILE 97 N 1.02 2.51 0.12 -5.21 1.01 0.05 -1.22 121.20 119.47 1p3r s ILE 97 Ca 0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 1p3r s ILE 97 Cb -0.14 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1p3r s ILE 97 CO 0.04 0.53 0.23 -1.54 0.00 0.00 0.00 174.94 174.19 1p3r n SER 98 N 3.96 -0.66 0.31 3.58 3.41 -0.69 -0.48 113.62 123.06 1p3r n SER 98 Ca -0.19 -1.48 0.20 0.00 -0.26 0.00 0.00 58.87 57.14 1p3r n SER 98 Cb 0.52 1.11 1.02 0.00 -0.26 0.00 0.00 64.21 66.59 1p3r n SER 98 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1p3r h LEU 99 N 0.00 0.00 -0.14 1.04 -0.00 -1.31 0.27 115.31 115.17 1p3r h LEU 99 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1p3r h LEU 99 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1p3r h LEU 99 CO 0.13 0.01 0.00 -1.20 -0.00 0.00 0.00 178.44 177.37 1p3r n SER 100 N -3.14 0.52 0.00 -0.43 7.64 -1.26 -4.75 113.62 112.20 1p3r n SER 100 Ca -0.02 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1p3r n SER 100 Cb 0.16 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1p3r n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p3r n GLY 101 N 0.96 0.59 3.43 0.23 0.00 0.08 -3.94 105.19 106.54 1p3r n GLY 101 Ca 0.05 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 1p3r n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p3r s ILE 102 N 0.00 2.96 -0.09 -0.61 1.01 -0.31 -1.70 121.20 122.46 1p3r s ILE 102 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1p3r s ILE 102 Cb 0.00 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1p3r s ILE 102 CO 0.00 0.57 -0.22 -0.54 0.00 0.00 0.00 174.94 174.75 1p3r s LYS 103 N -0.37 2.80 -0.31 2.79 1.02 -0.36 -0.26 119.74 125.05 1p3r s LYS 103 Ca 0.04 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 1p3r s LYS 103 Cb -0.12 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1p3r s LYS 103 CO 0.02 0.15 0.18 0.42 -0.92 0.00 0.00 175.35 175.20 1p3r s ILE 104 N 0.40 4.83 -0.04 2.17 -1.09 -0.11 -1.29 121.20 126.08 1p3r s ILE 104 Ca -0.18 -0.31 0.06 0.00 -2.23 0.00 0.00 60.65 57.99 1p3r s ILE 104 Cb -0.18 -3.45 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1p3r s ILE 104 CO 0.08 0.07 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.02 1p3r s ILE 105 N 1.66 2.50 0.06 2.92 1.01 -0.61 -0.35 121.20 128.39 1p3r s ILE 105 Ca 0.05 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.46 1p3r s ILE 105 Cb -0.17 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 1p3r s ILE 105 CO 0.08 0.58 1.33 -0.62 0.00 0.00 0.00 174.94 176.31 1p3r s ASP 106 N -0.58 6.91 0.28 3.58 2.15 -0.54 -0.49 116.67 127.98 1p3r s ASP 106 Ca 0.09 2.17 0.03 0.00 0.43 0.00 0.00 52.55 55.26 1p3r s ASP 106 Cb -0.11 -2.58 0.41 0.00 -0.30 0.00 0.00 42.92 40.34 1p3r s ASP 106 CO 0.00 -0.62 1.71 -0.08 -0.17 0.00 0.00 175.17 176.01 1p3r h GLU 107 N 7.09 0.43 -0.02 4.34 4.81 -1.70 -0.56 114.58 128.97 1p3r h GLU 107 Ca -0.41 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 58.62 1p3r h GLU 107 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1p3r h GLU 107 CO 0.86 0.69 -0.11 -0.22 -0.73 0.00 0.00 179.01 179.50 1p3r h LYS 108 N 0.37 0.11 0.00 1.92 3.11 -1.91 -3.39 116.57 116.78 1p3r h LYS 108 Ca 0.05 -0.09 -0.23 0.00 -2.81 0.00 0.00 60.65 57.57 1p3r h LYS 108 Cb 0.72 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.93 1p3r h LYS 108 CO 0.06 0.76 -1.91 0.25 -2.81 0.00 0.00 179.45 175.80 1p3r n THR 109 N -4.65 1.12 -0.60 1.00 -2.24 -1.24 -4.98 114.28 102.69 1p3r n THR 109 Ca -0.09 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1p3r n THR 109 Cb 0.40 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1p3r n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p3r n GLY 110 N 1.52 0.76 3.74 3.38 0.00 -0.22 -5.02 105.19 109.35 1p3r n GLY 110 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1p3r n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3r s VAL 111 N -2.72 3.41 -0.52 1.61 1.01 -1.26 -4.76 120.40 117.17 1p3r s VAL 111 Ca 0.00 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.91 1p3r s VAL 111 Cb 0.00 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1p3r s VAL 111 CO 0.00 0.20 1.10 -0.63 0.00 0.00 0.00 175.10 175.77 1p3r s ILE 112 N -0.14 4.20 0.02 2.22 1.01 -1.26 -1.46 121.20 125.79 1p3r s ILE 112 Ca 0.53 0.90 -0.18 0.00 0.00 0.00 0.00 60.65 61.90 1p3r s ILE 112 Cb -0.34 -4.62 -0.22 0.00 0.01 0.00 0.00 42.46 37.29 1p3r s ILE 112 CO 0.38 -1.12 1.15 -0.08 0.00 0.00 0.00 174.94 175.27 1p3r h GLU 113 N 9.34 0.48 -3.42 2.79 4.57 -1.05 -3.47 114.58 123.81 1p3r h GLU 113 Ca -0.24 -0.48 -0.14 0.00 -1.18 0.00 0.00 59.36 57.32 1p3r h GLU 113 Cb 1.06 0.13 -0.21 0.00 -0.16 0.00 0.00 28.75 29.57 1p3r h GLU 113 CO 1.13 1.12 -0.46 -1.01 -1.18 0.00 0.00 179.01 178.61 1p3r s HIS 114 N -3.36 -0.01 -0.06 0.92 3.76 -1.03 -4.99 115.29 110.53 1p3r s HIS 114 Ca -0.13 -0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 54.74 1p3r s HIS 114 Cb 0.05 -0.02 0.03 0.00 1.11 0.00 0.00 32.58 33.75 1p3r s HIS 114 CO 0.84 -0.29 0.04 -2.00 -0.85 0.00 0.00 174.74 172.48 1p3r s GLU 115 N -1.25 0.20 -0.27 1.40 2.12 -1.26 -0.93 118.70 118.70 1p3r s GLU 115 Ca -0.13 0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1p3r s GLU 115 Cb -0.07 -0.75 0.06 0.00 0.26 0.00 0.00 34.13 33.63 1p3r s GLU 115 CO 0.02 -0.33 -0.09 -1.01 -0.54 0.00 0.00 175.26 173.31 1p3r s HIS 116 N 2.09 3.28 0.53 5.30 3.76 0.65 -4.99 115.29 125.90 1p3r s HIS 116 Ca 0.05 -2.27 -0.22 0.00 -0.15 0.00 0.00 55.06 52.46 1p3r s HIS 116 Cb -0.12 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 1p3r s HIS 116 CO -0.04 -0.87 1.38 -2.14 -0.85 0.00 0.00 174.74 172.22 1p3r s PRO 117 N 1.12 3.23 0.32 8.40 0.02 -1.26 -1.16 135.00 145.67 1p3r s PRO 117 Ca -0.08 2.30 0.06 0.00 0.02 0.00 0.00 61.00 63.30 1p3r s PRO 117 Cb -0.20 -2.34 0.72 0.00 0.02 0.00 0.00 34.50 32.70 1p3r s PRO 117 CO -0.04 -1.14 1.83 0.28 -0.33 0.00 0.00 177.00 177.60 1p3r h VAL 118 N 1.62 0.81 0.00 3.83 2.07 -1.86 0.39 116.25 123.11 1p3r h VAL 118 Ca -0.51 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1p3r h VAL 118 Cb 1.29 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1p3r h VAL 118 CO 0.58 0.15 0.00 -0.46 0.02 0.00 0.00 177.57 177.86 1p3r n ASN 119 N -4.64 0.00 -0.24 0.57 0.23 -1.26 -2.44 115.26 107.48 1p3r n ASN 119 Ca 0.20 -0.73 0.06 0.00 -0.53 0.00 0.00 54.58 53.58 1p3r n ASN 119 Cb 0.48 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.17 1p3r n ASN 119 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1p3r n LYS 120 N -0.98 2.11 -3.27 -3.83 4.76 0.12 -4.91 118.16 112.16 1p3r n LYS 120 Ca 0.16 -0.60 -0.42 0.00 -2.87 0.00 0.00 58.31 54.58 1p3r n LYS 120 Cb 0.07 -1.12 -0.08 0.00 -1.84 0.00 0.00 35.03 32.06 1p3r n LYS 120 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p3r s ILE 121 N -1.53 5.03 -0.37 -0.18 1.01 -1.02 -0.52 121.20 123.61 1p3r s ILE 121 Ca 0.09 -0.06 0.22 0.00 0.00 0.00 0.00 60.65 60.90 1p3r s ILE 121 Cb 0.09 -4.03 -0.19 0.00 0.01 0.00 0.00 42.46 38.34 1p3r s ILE 121 CO 0.30 -0.38 0.81 -1.54 0.00 0.00 0.00 174.94 174.13 1p3r n SER 122 N 5.74 0.46 -3.66 3.58 3.41 -0.44 -4.98 113.62 117.74 1p3r n SER 122 Ca -0.06 -0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 1p3r n SER 122 Cb 0.48 1.22 -0.08 0.00 -0.26 0.00 0.00 64.21 65.57 1p3r n SER 122 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1p3r s PHE 123 N -3.33 -0.81 -0.23 7.33 5.36 -1.18 -4.79 117.98 120.33 1p3r s PHE 123 Ca -0.01 1.80 -0.06 0.00 -0.96 0.00 0.00 56.93 57.70 1p3r s PHE 123 Cb 0.14 0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 43.18 1p3r s PHE 123 CO 0.85 -0.40 0.01 0.42 -1.46 0.00 0.00 175.22 174.64 1p3r s ILE 124 N 0.94 3.90 -0.25 3.12 1.01 -1.26 -0.59 121.20 128.06 1p3r s ILE 124 Ca -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1p3r s ILE 124 Cb -0.05 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1p3r s ILE 124 CO -0.08 0.39 -0.02 0.00 0.00 0.00 0.00 174.94 175.23 1p3r s ALA 125 N 1.42 2.84 0.37 9.38 0.00 0.19 -4.98 121.76 130.98 1p3r s ALA 125 Ca 0.05 -1.34 -0.25 0.00 0.00 0.00 0.00 51.96 50.42 1p3r s ALA 125 Cb -0.15 -1.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.06 1p3r s ALA 125 CO 0.01 -0.69 1.01 1.03 0.00 0.00 0.00 175.76 177.12 1p3r s ARG 126 N 1.43 4.33 -0.47 0.00 0.52 -1.26 -0.69 118.95 122.81 1p3r s ARG 126 Ca 0.03 1.44 -0.10 0.00 -0.52 0.00 0.00 55.73 56.58 1p3r s ARG 126 Cb -0.16 -2.64 0.11 0.00 0.52 0.00 0.00 34.95 32.79 1p3r s ARG 126 CO -0.02 0.02 0.35 0.34 0.02 0.00 0.00 175.30 176.01 1p3r s ASP 127 N -1.59 5.76 0.55 0.23 3.68 -1.25 -4.89 116.67 119.17 1p3r s ASP 127 Ca 0.55 -1.82 0.37 0.00 2.13 0.00 0.00 52.55 53.78 1p3r s ASP 127 Cb -0.21 -2.04 1.97 0.00 -1.45 0.00 0.00 42.92 41.20 1p3r s ASP 127 CO 0.26 -0.69 2.13 1.62 0.13 0.00 0.00 175.17 178.62 1p3r h VAL 128 N 6.09 0.00 -0.01 1.11 3.04 -1.95 -2.04 116.25 122.49 1p3r h VAL 128 Ca -0.23 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1p3r h VAL 128 Cb 1.08 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1p3r h VAL 128 CO 0.87 0.00 -0.32 0.35 -1.01 0.00 0.00 177.57 177.46 1p3r n THR 129 N -2.81 0.00 -3.69 3.17 -2.24 -1.26 -4.88 114.28 102.57 1p3r n THR 129 Ca -0.02 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1p3r n THR 129 Cb 0.08 0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 68.77 1p3r n THR 129 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p3r s ASP 130 N -2.50 0.32 0.02 3.42 -1.08 -0.77 -5.00 116.67 111.09 1p3r s ASP 130 Ca 0.23 0.46 0.22 0.00 -0.52 0.00 0.00 52.55 52.93 1p3r s ASP 130 Cb 0.19 0.44 0.93 0.00 -1.46 0.00 0.00 42.92 43.02 1p3r s ASP 130 CO 0.54 -0.22 1.70 0.59 0.52 0.00 0.00 175.17 178.30 1p3r n ASN 131 N 5.01 0.07 -1.55 -0.34 5.03 -1.26 -3.42 115.26 118.80 1p3r n ASN 131 Ca -0.11 0.51 -0.11 0.00 0.87 0.00 0.00 54.58 55.74 1p3r n ASN 131 Cb 0.51 -0.53 0.09 0.00 -1.02 0.00 0.00 39.78 38.82 1p3r n ASN 131 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1p3r n ARG 132 N -1.58 2.66 -3.64 3.52 1.74 -1.26 -1.39 116.66 116.71 1p3r n ARG 132 Ca 0.05 -3.75 -0.14 0.00 -0.77 0.00 0.00 57.85 53.24 1p3r n ARG 132 Cb 0.26 -1.93 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 1p3r n ARG 132 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p3r s ALA 133 N -3.35 -1.13 0.12 7.54 0.00 -1.22 -1.31 121.76 122.41 1p3r s ALA 133 Ca 0.44 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 1p3r s ALA 133 Cb 0.39 0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.87 1p3r s ALA 133 CO -0.01 -0.43 1.05 -0.59 0.00 0.00 0.00 175.76 175.78 1p3r s PHE 134 N -2.16 -0.07 0.31 0.00 -0.12 -0.73 -3.80 117.98 111.41 1p3r s PHE 134 Ca -0.07 -0.21 -0.12 0.00 -0.05 0.00 0.00 56.93 56.48 1p3r s PHE 134 Cb -0.01 0.63 0.01 0.00 -0.63 0.00 0.00 43.02 43.02 1p3r s PHE 134 CO 0.00 -0.72 0.58 0.20 -0.05 0.00 0.00 175.22 175.23 1p3r s GLY 135 N -3.05 0.64 0.01 1.99 0.00 0.13 -0.86 107.32 106.19 1p3r s GLY 135 Ca 0.15 -0.92 -0.19 0.00 0.00 0.00 0.00 44.72 43.76 1p3r s GLY 135 CO 0.02 -0.57 0.41 -2.52 0.00 0.00 0.00 173.10 170.44 1p3r s TYR 136 N -3.39 -0.28 -0.11 1.90 -0.85 -0.88 0.54 117.35 114.28 1p3r s TYR 136 Ca 0.21 0.35 -0.05 0.00 -0.52 0.00 0.00 57.07 57.07 1p3r s TYR 136 Cb -0.02 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1p3r s TYR 136 CO 0.12 -0.51 0.08 0.08 -1.52 0.00 0.00 175.55 173.79 1p3r s VAL 137 N -1.90 4.95 0.12 -3.49 1.01 0.24 -1.07 120.40 120.26 1p3r s VAL 137 Ca -0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1p3r s VAL 137 Cb -0.02 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1p3r s VAL 137 CO 0.02 0.61 0.27 0.00 0.00 0.00 0.00 175.10 176.00 1p3r n GLY 139 N -0.15 2.31 2.44 0.00 0.00 0.32 -1.94 105.19 108.17 1p3r n GLY 139 Ca -0.13 -2.16 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 1p3r n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3r n GLY 140 N -0.82 -0.97 3.77 -0.02 0.00 -1.25 -4.82 105.19 101.07 1p3r n GLY 140 Ca 0.00 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1p3r n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p3r s GLU 141 N -4.70 3.79 0.00 1.61 2.56 -1.26 -2.30 118.70 118.41 1p3r s GLU 141 Ca 0.46 1.92 0.00 0.00 0.00 0.00 0.00 54.97 57.35 1p3r s GLU 141 Cb -0.01 -2.52 0.00 0.00 2.00 0.00 0.00 34.13 33.60 1p3r s GLU 141 CO 0.32 -0.56 0.00 0.41 -0.56 0.00 0.00 175.26 174.87 1p3r n GLY 142 N 0.57 0.75 2.47 -1.50 0.00 -1.26 -4.84 105.19 101.38 1p3r n GLY 142 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1p3r n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3r n GLN 143 N -2.00 1.07 -3.22 1.61 10.64 -0.97 -5.11 117.38 119.40 1p3r n GLN 143 Ca 0.00 -3.16 -0.39 0.00 -1.83 0.00 0.00 57.00 51.62 1p3r n GLN 143 Cb 0.00 -1.36 -0.06 0.00 -0.86 0.00 0.00 30.24 27.97 1p3r n GLN 143 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1p3r s HIS 144 N -2.49 3.74 -0.01 2.61 3.76 -1.25 -3.93 115.29 117.71 1p3r s HIS 144 Ca 0.32 1.25 0.02 0.00 -0.15 0.00 0.00 55.06 56.50 1p3r s HIS 144 Cb 0.40 -2.58 -0.00 0.00 1.11 0.00 0.00 32.58 31.52 1p3r s HIS 144 CO -0.02 0.45 -0.07 -0.65 -0.85 0.00 0.00 174.74 173.60 1p3r s GLN 145 N -0.57 0.64 -0.24 1.40 -0.21 -0.82 -1.28 119.66 118.58 1p3r s GLN 145 Ca 0.31 -0.24 -0.10 0.00 0.02 0.00 0.00 55.36 55.34 1p3r s GLN 145 Cb -0.19 -0.62 -0.05 0.00 1.00 0.00 0.00 33.01 33.15 1p3r s GLN 145 CO 0.18 0.12 0.16 0.12 -2.12 0.00 0.00 175.29 173.75 1p3r s PHE 146 N 0.02 3.30 -0.26 0.91 5.36 0.16 -1.71 117.98 125.76 1p3r s PHE 146 Ca 0.00 0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 56.08 1p3r s PHE 146 Cb -0.05 -2.28 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 1p3r s PHE 146 CO -0.00 0.03 0.10 -0.06 -1.46 0.00 0.00 175.22 173.83 1p3r s PHE 147 N 1.14 3.12 -0.22 10.12 0.40 -0.23 -1.49 117.98 130.81 1p3r s PHE 147 Ca 0.07 -0.30 -0.09 0.00 -0.60 0.00 0.00 56.93 56.01 1p3r s PHE 147 Cb -0.14 -2.28 -0.05 0.00 0.51 0.00 0.00 43.02 41.07 1p3r s PHE 147 CO 0.05 -0.32 0.12 0.00 0.70 0.00 0.00 175.22 175.78 1p3r s ALA 148 N 1.65 3.51 -0.05 5.36 0.00 -0.62 -2.08 121.76 129.52 1p3r s ALA 148 Ca 0.06 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1p3r s ALA 148 Cb -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 1p3r s ALA 148 CO 0.06 -0.12 -0.25 0.42 0.00 0.00 0.00 175.76 175.88 1p3r s ILE 149 N 0.91 2.11 -0.34 0.00 -1.09 -0.04 -0.80 121.20 121.96 1p3r s ILE 149 Ca 0.06 -1.05 -0.06 0.00 -2.23 0.00 0.00 60.65 57.37 1p3r s ILE 149 Cb -0.13 -1.76 0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1p3r s ILE 149 CO 0.03 0.57 0.09 -0.75 -1.23 0.00 0.00 174.94 173.65 1p3r s LYS 150 N -0.24 2.58 0.33 2.79 2.36 -0.40 -1.76 119.74 125.38 1p3r s LYS 150 Ca -0.01 -1.21 -0.24 0.00 -2.55 0.00 0.00 55.97 51.96 1p3r s LYS 150 Cb -0.13 -3.42 -0.10 0.00 -1.05 0.00 0.00 37.83 33.13 1p3r s LYS 150 CO 0.03 -0.67 0.91 0.95 1.55 0.00 0.00 175.35 178.12 1p3r s THR 151 N 1.37 4.30 0.20 3.43 -4.23 -0.43 -0.56 115.64 119.73 1p3r s THR 151 Ca -0.02 1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 62.08 1p3r s THR 151 Cb -0.20 -3.91 0.12 0.00 1.34 0.00 0.00 72.50 69.86 1p3r s THR 151 CO 0.02 0.06 1.73 1.23 -0.54 0.00 0.00 174.62 177.12 1p3r h GLY 152 N 2.95 1.21 0.00 3.99 0.00 -1.67 -3.45 103.07 106.10 1p3r h GLY 152 Ca -0.47 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.13 1p3r h GLY 152 CO 0.64 0.68 0.00 -1.06 0.00 0.00 0.00 176.54 176.80 1p3r n GLN 153 N -4.27 3.79 -2.24 4.80 1.13 -1.26 -5.08 117.38 114.25 1p3r n GLN 153 Ca 0.05 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.73 1p3r n GLN 153 Cb 0.24 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.57 1p3r n GLN 153 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1p3r s GLN 154 N 2.71 4.03 0.15 -1.09 -1.52 -1.26 -4.67 119.66 118.01 1p3r s GLN 154 Ca 0.00 1.90 0.10 0.00 -1.95 0.00 0.00 55.36 55.42 1p3r s GLN 154 Cb 0.00 -2.69 -0.12 0.00 -0.22 0.00 0.00 33.01 29.97 1p3r s GLN 154 CO 0.00 -0.36 1.26 0.00 -0.25 0.00 0.00 175.29 175.95 1p3r h ALA 155 N 2.64 0.49 -0.49 6.09 0.00 -1.54 -3.38 119.26 123.07 1p3r h ALA 155 Ca -0.49 -0.81 0.10 0.00 0.00 0.00 0.00 54.91 53.71 1p3r h ALA 155 Cb 1.24 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1p3r h ALA 155 CO 0.62 1.07 -0.19 1.49 0.00 0.00 0.00 179.25 182.24 1p3r h GLU 156 N 0.00 -0.08 -0.38 0.00 4.57 -1.93 -1.31 114.58 115.46 1p3r h GLU 156 Ca -0.04 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 1p3r h GLU 156 Cb 1.66 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.25 1p3r h GLU 156 CO 0.10 -0.05 0.26 -1.00 -1.18 0.00 0.00 179.01 177.14 1p3r h PRO 157 N -0.08 0.21 -0.22 0.92 0.13 -1.98 0.62 132.00 131.59 1p3r h PRO 157 Ca 0.23 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.17 1p3r h PRO 157 Cb 0.44 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1p3r h PRO 157 CO -0.55 0.14 -0.55 1.25 -0.23 0.00 0.00 178.00 178.06 1p3r h LEU 158 N 0.21 0.87 -0.83 1.56 7.12 -1.51 -1.89 115.31 120.85 1p3r h LEU 158 Ca 0.17 -0.57 -0.08 0.00 0.13 0.00 0.00 57.88 57.53 1p3r h LEU 158 Cb 0.41 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.26 1p3r h LEU 158 CO -0.03 1.28 -0.01 0.58 -0.13 0.00 0.00 178.44 180.13 1p3r h VAL 159 N 0.51 1.25 -0.45 1.05 2.07 -0.44 -2.13 116.25 118.10 1p3r h VAL 159 Ca -0.01 -1.07 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 1p3r h VAL 159 Cb 1.17 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1p3r h VAL 159 CO 0.12 0.38 -0.24 0.58 0.02 0.00 0.00 177.57 178.43 1p3r h VAL 160 N 0.80 1.27 -0.67 2.57 2.07 -0.89 -2.12 116.25 119.29 1p3r h VAL 160 Ca 0.15 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.30 1p3r h VAL 160 Cb 0.50 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1p3r h VAL 160 CO 0.02 0.48 0.41 0.44 0.02 0.00 0.00 177.57 178.94 1p3r h ASP 161 N 0.80 0.66 -0.75 0.57 3.32 -1.03 0.39 116.42 120.37 1p3r h ASP 161 Ca 0.10 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1p3r h ASP 161 Cb 0.82 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1p3r h ASP 161 CO 0.07 0.45 0.40 -0.07 -1.72 0.00 0.00 179.24 178.37 1p3r h LEU 162 N 0.79 0.95 -0.41 1.55 3.38 -1.23 0.16 115.31 120.51 1p3r h LEU 162 Ca 0.27 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1p3r h LEU 162 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1p3r h LEU 162 CO -0.12 0.79 0.15 0.11 0.09 0.00 0.00 178.44 179.46 1p3r h LYS 163 N 1.04 0.62 -0.67 1.13 1.79 -0.68 -2.27 116.57 117.53 1p3r h LYS 163 Ca 0.26 -0.12 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 1p3r h LYS 163 Cb 0.06 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1p3r h LYS 163 CO -0.04 0.59 0.11 -0.44 -1.08 0.00 0.00 179.45 178.59 1p3r h ASP 164 N 0.51 1.06 0.17 0.86 3.32 -0.58 -1.53 116.42 120.24 1p3r h ASP 164 Ca 0.13 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1p3r h ASP 164 Cb 0.22 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1p3r h ASP 164 CO -0.01 1.05 -0.27 0.25 -1.72 0.00 0.00 179.24 178.55 1p3r h LEU 165 N 1.03 -0.74 -1.13 1.55 5.85 -0.47 0.10 115.31 121.50 1p3r h LEU 165 Ca 0.20 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1p3r h LEU 165 Cb 0.44 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 1p3r h LEU 165 CO 0.01 -0.36 0.59 -0.26 -0.34 0.00 0.00 178.44 178.08 1p3r h PHE 166 N -0.50 1.07 -0.52 1.25 0.04 -1.32 -1.51 116.94 115.44 1p3r h PHE 166 Ca 0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1p3r h PHE 166 Cb 0.51 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1p3r h PHE 166 CO -0.22 0.57 0.20 0.37 -0.60 0.00 0.00 178.31 178.64 1p3r h GLN 167 N 1.06 0.78 -0.22 1.51 5.75 -0.46 -2.33 115.11 121.21 1p3r h GLN 167 Ca 0.38 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.65 1p3r h GLN 167 Cb 0.15 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.57 1p3r h GLN 167 CO -0.14 0.70 -0.18 -0.24 -2.65 0.00 0.00 178.83 176.31 1p3r h VAL 168 N 0.70 1.32 -0.83 2.39 3.04 -0.30 -0.49 116.25 122.09 1p3r h VAL 168 Ca 0.17 -1.32 0.13 0.00 -1.01 0.00 0.00 66.70 64.67 1p3r h VAL 168 Cb 0.21 1.68 -0.06 0.00 -2.01 0.00 0.00 31.29 31.11 1p3r h VAL 168 CO -0.01 0.41 0.54 0.40 -1.01 0.00 0.00 177.57 177.89 1p3r h ILE 169 N 0.21 0.86 0.14 3.17 1.08 -1.24 0.19 117.51 121.93 1p3r h ILE 169 Ca 0.04 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1p3r h ILE 169 Cb 0.72 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1p3r h ILE 169 CO 0.05 0.12 -0.07 0.22 -0.69 0.00 0.00 178.15 177.78 1p3r h TYR 170 N 0.64 -0.17 -0.62 1.37 3.20 -1.19 -2.10 116.97 118.11 1p3r h TYR 170 Ca 0.40 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.38 1p3r h TYR 170 Cb 0.66 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 1p3r h TYR 170 CO -0.00 0.29 0.42 -0.91 -1.64 0.00 0.00 178.16 176.32 1p3r h ASN 171 N -0.80 0.33 -0.03 -2.11 2.35 -0.54 0.17 115.58 114.95 1p3r h ASN 171 Ca -0.02 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1p3r h ASN 171 Cb 0.54 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1p3r h ASN 171 CO 0.03 0.19 -0.16 0.58 -1.65 0.00 0.00 177.43 176.43 1p3r h VAL 172 N 0.36 1.48 -0.77 2.81 2.07 -1.01 -2.32 116.25 118.87 1p3r h VAL 172 Ca 0.29 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1p3r h VAL 172 Cb 0.65 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1p3r h VAL 172 CO -0.08 0.45 0.32 0.50 0.02 0.00 0.00 177.57 178.78 1p3r h LYS 173 N -0.42 1.15 -0.10 1.57 3.64 -0.63 -0.24 116.57 121.54 1p3r h LYS 173 Ca -0.01 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.04 1p3r h LYS 173 Cb 0.81 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1p3r h LYS 173 CO 0.03 0.93 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.42 1p3r h LYS 174 N 1.12 0.27 -0.01 1.90 3.11 -0.77 0.53 116.57 122.73 1p3r h LYS 174 Ca 0.26 -0.16 -0.19 0.00 -2.81 0.00 0.00 60.65 57.75 1p3r h LYS 174 Cb 0.20 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1p3r h LYS 174 CO -0.02 0.72 -0.84 0.87 -2.81 0.00 0.00 179.45 177.36 1p3r h LYS 175 N 0.22 0.20 0.00 1.90 1.57 -1.16 -1.89 116.57 117.41 1p3r h LYS 175 Ca 0.01 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1p3r h LYS 175 Cb 0.96 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1p3r h LYS 175 CO 0.08 0.93 -0.05 0.93 -0.57 0.00 0.00 179.45 180.77 1p3r h GLU 176 N 0.12 0.00 0.03 3.15 5.08 -0.81 -3.20 114.58 118.95 1p3r h GLU 176 Ca -0.04 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 1p3r h GLU 176 Cb 1.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 1p3r h GLU 176 CO 0.13 0.05 -1.29 0.93 -1.00 0.00 0.00 179.01 177.83 1p3r h GLU 177 N 0.00 0.07 0.00 2.33 5.08 -0.75 -3.05 114.58 118.26 1p3r h GLU 177 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1p3r h GLU 177 Cb 1.02 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1p3r h GLU 177 CO 0.01 0.92 0.00 -0.25 -1.00 0.00 0.00 179.01 178.69 1p3r n ASP 178 N -3.31 0.00 -0.07 1.42 8.00 -0.72 -5.08 116.55 116.78 1p3r n ASP 178 Ca -0.08 -1.36 0.01 0.00 0.71 0.00 0.00 54.79 54.07 1p3r n ASP 178 Cb 0.99 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 42.10 1p3r n ASP 178 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98