#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx h ARG 3 N 0.00 0.54 0.00 0.00 3.08 -2.07 -3.44 114.38 112.49 1pnx h ARG 3 Ca 0.00 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1pnx h ARG 3 Cb 0.00 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1pnx h ARG 3 CO 0.00 1.22 0.00 0.54 -1.07 0.00 0.00 179.97 180.66 1pnx n ARG 4 N -4.04 0.00 -0.20 0.04 1.74 -1.26 -5.00 116.66 107.93 1pnx n ARG 4 Ca -0.11 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.80 1pnx n ARG 4 Cb 0.79 -0.01 0.16 0.00 -1.02 0.00 0.00 32.46 32.38 1pnx n ARG 4 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pnx n ARG 5 N 0.00 -2.94 -2.07 5.56 1.74 -1.26 -4.94 116.66 112.75 1pnx n ARG 5 Ca 0.00 -0.80 -0.27 0.00 -0.77 0.00 0.00 57.85 56.00 1pnx n ARG 5 Cb 0.00 -1.16 0.02 0.00 -1.02 0.00 0.00 32.46 30.30 1pnx n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1pnx n ARG 6 N -3.44 3.40 0.00 5.56 0.63 -1.26 -4.95 116.66 116.59 1pnx n ARG 6 Ca 0.08 -4.13 0.00 0.00 -0.92 0.00 0.00 57.85 52.88 1pnx n ARG 6 Cb 0.33 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 30.97 1pnx n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pnx n ALA 7 N -0.65 -0.54 -1.48 5.13 0.00 -1.26 -4.84 120.51 116.88 1pnx n ALA 7 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.57 1pnx n ALA 7 Cb 0.79 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.29 1pnx n ALA 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1pnx s GLU 8 N 0.00 2.76 0.06 0.00 4.04 -1.26 -4.99 118.70 119.32 1pnx s GLU 8 Ca 0.00 1.20 -0.30 0.00 0.04 0.00 0.00 54.97 55.90 1pnx s GLU 8 Cb 0.00 -1.96 -0.05 0.00 0.02 0.00 0.00 34.13 32.14 1pnx s GLU 8 CO 0.00 -1.25 1.06 0.08 -1.84 0.00 0.00 175.26 173.30 1pnx s VAL 9 N -2.68 4.42 0.17 1.83 1.01 -1.26 -4.99 120.40 118.89 1pnx s VAL 9 Ca 0.63 1.82 -0.32 0.00 0.00 0.00 0.00 61.98 64.11 1pnx s VAL 9 Cb -0.17 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 1pnx s VAL 9 CO 0.48 0.19 1.68 -0.13 0.00 0.00 0.00 175.10 177.31 1pnx s ARG 10 N 0.65 4.17 -0.14 2.72 0.52 -1.26 -4.95 118.95 120.65 1pnx s ARG 10 Ca 0.53 2.49 -0.19 0.00 -0.52 0.00 0.00 55.73 58.04 1pnx s ARG 10 Cb -0.25 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1pnx s ARG 10 CO 0.30 -0.71 0.51 -1.14 0.02 0.00 0.00 175.30 174.27 1pnx s GLN 11 N 1.55 4.30 0.09 3.54 2.00 -1.26 -5.06 119.66 124.81 1pnx s GLN 11 Ca 0.74 0.47 -0.08 0.00 -2.00 0.00 0.00 55.36 54.49 1pnx s GLN 11 Cb -0.46 -3.48 -0.06 0.00 0.80 0.00 0.00 33.01 29.81 1pnx s GLN 11 CO 0.32 0.04 0.38 -0.51 -0.50 0.00 0.00 175.29 175.03 1pnx s LEU 12 N 0.99 4.32 -0.03 3.68 1.02 -1.26 -5.05 118.68 122.35 1pnx s LEU 12 Ca 0.26 0.70 -0.30 0.00 0.02 0.00 0.00 54.13 54.81 1pnx s LEU 12 Cb -0.15 -3.06 -0.05 0.00 0.02 0.00 0.00 46.19 42.95 1pnx s LEU 12 CO 0.10 0.14 1.36 -1.10 0.02 0.00 0.00 176.35 176.88 1pnx s GLN 13 N -2.14 4.29 1.04 1.70 -1.52 -1.26 -4.85 119.66 116.92 1pnx s GLN 13 Ca 0.35 1.90 -0.21 0.00 -1.95 0.00 0.00 55.36 55.45 1pnx s GLN 13 Cb -0.13 -3.60 -0.05 0.00 -0.22 0.00 0.00 33.01 29.00 1pnx s GLN 13 CO 0.20 -0.57 -0.61 -0.35 -0.25 0.00 0.00 175.29 173.71 1pnx n PRO 14 N 5.51 -0.62 -1.91 2.91 -0.04 -1.26 -4.81 135.00 134.79 1pnx n PRO 14 Ca 0.13 -0.17 -0.38 0.00 -0.04 0.00 0.00 63.50 63.04 1pnx n PRO 14 Cb 0.44 -1.37 0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1pnx n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pnx s ASP 15 N -1.44 5.52 -0.04 3.54 -1.08 -0.93 -4.76 116.67 117.48 1pnx s ASP 15 Ca 0.47 2.65 0.03 0.00 -0.52 0.00 0.00 52.55 55.18 1pnx s ASP 15 Cb -0.06 -2.63 0.14 0.00 -1.46 0.00 0.00 42.92 38.91 1pnx s ASP 15 CO 0.69 -1.39 0.76 0.18 0.52 0.00 0.00 175.17 175.93 1pnx n LEU 16 N -0.86 1.74 0.00 -1.34 7.99 -1.26 -0.98 117.00 122.30 1pnx n LEU 16 Ca 0.09 -0.88 0.00 0.00 -0.01 0.00 0.00 56.01 55.22 1pnx n LEU 16 Cb 0.46 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 1pnx n LEU 16 CO 0.52 0.30 0.00 0.52 -1.51 0.00 0.00 177.39 177.22 1pnx n VAL 17 N 0.09 0.00 0.45 4.08 0.31 -1.26 -4.89 118.33 117.11 1pnx n VAL 17 Ca 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.43 1pnx n VAL 17 Cb 0.39 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1pnx n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1pnx n TYR 18 N -1.63 0.00 -1.92 3.52 4.02 -1.26 -4.97 117.16 114.93 1pnx n TYR 18 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1pnx n TYR 18 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1pnx n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pnx n GLY 19 N 0.86 0.35 3.59 2.72 0.00 -0.15 -4.79 105.19 107.76 1pnx n GLY 19 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1pnx n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pnx s ASP 20 N -2.06 5.86 0.14 1.61 -1.08 -1.26 -4.10 116.67 115.78 1pnx s ASP 20 Ca 0.00 -0.00 -0.15 0.00 -0.52 0.00 0.00 52.55 51.87 1pnx s ASP 20 Cb 0.00 -2.07 0.01 0.00 -1.46 0.00 0.00 42.92 39.40 1pnx s ASP 20 CO 0.00 0.00 1.71 -0.37 0.52 0.00 0.00 175.17 177.03 1pnx h VAL 21 N 5.26 1.19 -1.01 1.11 -1.51 -1.88 -2.37 116.25 117.05 1pnx h VAL 21 Ca -0.37 -0.57 0.26 0.00 -1.23 0.00 0.00 66.70 64.80 1pnx h VAL 21 Cb 1.18 0.75 -0.07 0.00 -2.13 0.00 0.00 31.29 31.02 1pnx h VAL 21 CO 0.60 0.21 0.68 0.25 -1.23 0.00 0.00 177.57 178.08 1pnx h LEU 22 N 0.57 0.30 -0.09 4.19 5.85 -1.95 0.49 115.31 124.67 1pnx h LEU 22 Ca 0.15 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1pnx h LEU 22 Cb 0.15 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1pnx h LEU 22 CO -0.02 0.08 -0.04 0.58 -0.34 0.00 0.00 178.44 178.71 1pnx h VAL 23 N 0.28 1.31 -0.52 1.05 2.07 -1.88 -2.21 116.25 116.35 1pnx h VAL 23 Ca 0.53 -1.02 0.10 0.00 0.82 0.00 0.00 66.70 67.12 1pnx h VAL 23 Cb 1.57 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 33.08 1pnx h VAL 23 CO -0.18 0.29 0.06 0.74 0.02 0.00 0.00 177.57 178.50 1pnx h THR 24 N -0.18 0.65 -0.23 2.57 2.02 -0.89 0.93 112.91 117.78 1pnx h THR 24 Ca 0.02 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1pnx h THR 24 Cb 0.47 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.26 1pnx h THR 24 CO 0.01 0.03 -0.43 0.00 0.37 0.00 0.00 175.52 175.50 1pnx h ALA 25 N 1.44 -0.55 -0.87 6.16 0.00 -1.18 0.35 119.26 124.61 1pnx h ALA 25 Ca 0.27 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1pnx h ALA 25 Cb 0.39 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1pnx h ALA 25 CO -0.39 -0.91 0.56 0.35 0.00 0.00 0.00 179.25 178.86 1pnx h PHE 26 N -0.44 0.93 -0.26 0.00 3.57 -0.54 -0.03 116.94 120.18 1pnx h PHE 26 Ca 0.09 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1pnx h PHE 26 Cb 0.61 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1pnx h PHE 26 CO -0.54 0.44 -0.30 0.82 -2.23 0.00 0.00 178.31 176.51 1pnx h ILE 27 N 0.88 1.28 -0.00 1.41 2.04 0.64 -2.34 117.51 121.42 1pnx h ILE 27 Ca 0.40 -1.38 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 1pnx h ILE 27 Cb 0.37 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1pnx h ILE 27 CO -0.16 0.44 -0.42 0.78 0.00 0.00 0.00 178.15 178.79 1pnx h ASN 28 N 0.47 0.00 1.57 1.72 2.35 0.15 -0.71 115.58 121.13 1pnx h ASN 28 Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1pnx h ASN 28 Cb 0.76 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1pnx h ASN 28 CO 0.06 0.42 0.00 0.11 -1.65 0.00 0.00 177.43 176.37 1pnx h LYS 29 N 0.00 0.00 0.15 0.81 1.79 -0.81 -3.12 116.57 115.39 1pnx h LYS 29 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1pnx h LYS 29 Cb 0.74 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1pnx h LYS 29 CO 0.05 0.00 -1.78 0.82 -1.08 0.00 0.00 179.45 177.46 1pnx h ILE 30 N 0.00 0.88 -3.30 1.86 2.04 -0.87 -3.48 117.51 114.65 1pnx h ILE 30 Ca 0.00 -2.52 -0.58 0.00 1.00 0.00 0.00 64.86 62.77 1pnx h ILE 30 Cb 0.78 2.68 0.17 0.00 -0.74 0.00 0.00 36.82 39.71 1pnx h ILE 30 CO 0.00 0.85 -0.09 0.80 0.00 0.00 0.00 178.15 179.71 1pnx n MET 31 N -3.52 0.73 -3.67 2.37 1.56 -0.34 -4.95 117.12 109.30 1pnx n MET 31 Ca -0.25 0.29 -0.08 0.00 -0.27 0.00 0.00 57.70 57.38 1pnx n MET 31 Cb 1.06 -1.97 -0.09 0.00 2.15 0.00 0.00 33.22 34.38 1pnx n MET 31 CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 1pnx s ARG 32 N -2.46 0.45 -0.53 2.12 1.70 -1.26 -4.85 118.95 114.11 1pnx s ARG 32 Ca 0.73 1.03 -0.00 0.00 -0.47 0.00 0.00 55.73 57.01 1pnx s ARG 32 Cb -0.43 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.18 1pnx s ARG 32 CO 0.50 -0.19 0.01 -0.25 -1.08 0.00 0.00 175.30 174.29 1pnx n ASP 33 N 4.78 -2.49 -0.98 -2.89 8.00 -1.26 -3.34 116.55 118.37 1pnx n ASP 33 Ca -0.17 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 1pnx n ASP 33 Cb 0.53 -1.82 -0.05 0.00 -0.02 0.00 0.00 41.12 39.76 1pnx n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pnx n GLY 34 N -1.00 1.11 2.38 0.44 0.00 -1.26 -4.83 105.19 102.03 1pnx n GLY 34 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1pnx n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pnx n LYS 35 N -1.10 3.73 0.19 1.61 5.02 -1.21 -4.70 118.16 121.70 1pnx n LYS 35 Ca -0.12 -2.42 0.10 0.00 -2.02 0.00 0.00 58.31 53.86 1pnx n LYS 35 Cb 0.54 -2.83 0.55 0.00 -0.02 0.00 0.00 35.03 33.27 1pnx n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pnx h LYS 36 N 5.06 0.00 0.16 1.97 3.64 -1.89 -2.54 116.57 122.97 1pnx h LYS 36 Ca 0.82 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.19 1pnx h LYS 36 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pnx h LYS 36 CO 1.76 0.00 -0.08 -0.97 -2.27 0.00 0.00 179.45 177.89 1pnx h ASN 37 N 0.00 -0.18 -1.03 4.20 -0.00 -1.99 -1.55 115.58 115.02 1pnx h ASN 37 Ca 0.00 0.01 0.26 0.00 -0.00 0.00 0.00 56.30 56.56 1pnx h ASN 37 Cb 0.35 0.05 -0.10 0.00 -0.00 0.00 0.00 38.32 38.63 1pnx h ASN 37 CO 0.00 0.29 0.66 0.25 -0.00 0.00 0.00 177.43 178.63 1pnx h LEU 38 N -1.06 0.48 -0.18 0.34 5.85 -1.91 0.33 115.31 119.17 1pnx h LEU 38 Ca -0.02 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1pnx h LEU 38 Cb 0.17 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1pnx h LEU 38 CO 0.04 0.10 0.01 0.00 -0.34 0.00 0.00 178.44 178.25 1pnx h ALA 39 N 1.63 0.24 -0.32 1.25 0.00 -1.48 -1.51 119.26 119.06 1pnx h ALA 39 Ca 0.59 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1pnx h ALA 39 Cb 1.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1pnx h ALA 39 CO -0.31 -0.07 0.10 0.00 0.00 0.00 0.00 179.25 178.96 1pnx h ALA 40 N 0.79 0.42 0.10 0.00 0.00 0.27 -2.83 119.26 118.01 1pnx h ALA 40 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pnx h ALA 40 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pnx h ALA 40 CO 0.01 0.05 -0.24 0.00 0.00 0.00 0.00 179.25 179.07 1pnx h ARG 41 N 0.36 -0.36 -0.96 0.00 3.08 -0.44 -1.98 114.38 114.08 1pnx h ARG 41 Ca 0.10 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.41 1pnx h ARG 41 Cb 0.25 0.08 -0.18 0.00 0.08 0.00 0.00 29.97 30.20 1pnx h ARG 41 CO -0.00 -0.24 -0.10 -0.89 -1.07 0.00 0.00 179.97 177.66 1pnx n ILE 42 N -3.81 -0.40 0.20 2.04 5.41 -0.57 0.64 119.36 122.86 1pnx n ILE 42 Ca -0.04 2.15 0.04 0.00 1.00 0.00 0.00 62.75 65.90 1pnx n ILE 42 Cb 0.20 -3.05 0.41 0.00 -0.71 0.00 0.00 39.64 36.48 1pnx n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1pnx h PHE 43 N 0.00 0.00 0.13 1.39 3.57 -1.20 -1.44 116.94 119.39 1pnx h PHE 43 Ca 0.52 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.82 1pnx h PHE 43 Cb 0.96 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.72 1pnx h PHE 43 CO -0.60 0.34 -0.97 1.88 -2.23 0.00 0.00 178.31 176.73 1pnx h TYR 44 N 0.00 0.50 -0.73 0.41 0.99 0.96 -1.91 116.97 117.18 1pnx h TYR 44 Ca -0.00 -0.36 0.11 0.00 2.00 0.00 0.00 58.73 60.48 1pnx h TYR 44 Cb 0.66 -0.02 -0.08 0.00 1.00 0.00 0.00 36.73 38.28 1pnx h TYR 44 CO 0.00 1.37 0.33 -0.44 -0.00 0.00 0.00 178.16 179.42 1pnx h ASP 45 N -0.38 0.38 -0.47 3.88 3.32 -0.64 0.61 116.42 123.13 1pnx h ASP 45 Ca -0.19 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1pnx h ASP 45 Cb 1.66 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 41.21 1pnx h ASP 45 CO 0.12 0.19 0.30 0.00 -1.72 0.00 0.00 179.24 178.13 1pnx h ALA 46 N 1.48 0.59 -0.07 3.45 0.00 -1.30 -1.42 119.26 122.00 1pnx h ALA 46 Ca 0.38 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.26 1pnx h ALA 46 Cb 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pnx h ALA 46 CO -0.33 0.06 0.05 0.00 0.00 0.00 0.00 179.25 179.03 1pnx n LYS 48 N -4.39 0.25 0.12 0.00 5.02 -0.42 -2.40 118.16 116.33 1pnx n LYS 48 Ca -0.01 0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.51 1pnx n LYS 48 Cb 0.16 -1.73 0.03 0.00 -0.02 0.00 0.00 35.03 33.46 1pnx n LYS 48 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1pnx h ILE 49 N 0.00 0.18 0.00 -0.18 2.04 0.53 -2.92 117.51 117.16 1pnx h ILE 49 Ca 0.00 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1pnx h ILE 49 Cb 0.72 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1pnx h ILE 49 CO 0.00 0.10 -0.33 0.40 0.00 0.00 0.00 178.15 178.32 1pnx h ILE 50 N 0.00 0.00 0.09 -0.67 2.04 -0.86 -3.10 117.51 115.01 1pnx h ILE 50 Ca -0.03 -0.99 -0.13 0.00 1.00 0.00 0.00 64.86 64.71 1pnx h ILE 50 Cb 1.14 1.82 0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1pnx h ILE 50 CO 0.01 0.00 -0.58 1.56 0.00 0.00 0.00 178.15 179.14 1pnx h GLN 51 N 0.00 0.24 0.00 2.37 1.08 -1.44 -2.90 115.11 114.46 1pnx h GLN 51 Ca 0.00 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1pnx h GLN 51 Cb 0.99 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1pnx h GLN 51 CO 0.00 1.16 0.00 0.39 -0.95 0.00 0.00 178.83 179.43 1pnx n GLU 52 N -4.26 0.00 0.00 1.46 1.02 -1.11 -3.47 120.64 114.28 1pnx n GLU 52 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1pnx n GLU 52 Cb 0.72 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1pnx n GLU 52 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pnx n LYS 53 N -0.22 0.00 -3.68 3.49 5.02 -1.17 -4.17 118.16 117.42 1pnx n LYS 53 Ca 0.00 0.21 -0.18 0.00 -2.02 0.00 0.00 58.31 56.32 1pnx n LYS 53 Cb 0.00 -1.68 -0.17 0.00 -0.02 0.00 0.00 35.03 33.16 1pnx n LYS 53 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1pnx s THR 54 N -2.32 -0.15 -2.00 -0.18 2.01 -1.09 -5.02 115.64 106.88 1pnx s THR 54 Ca 0.00 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.43 1pnx s THR 54 Cb 0.00 -0.19 0.14 0.00 0.01 0.00 0.00 72.50 72.46 1pnx s THR 54 CO 0.00 0.16 0.73 0.61 -0.69 0.00 0.00 174.62 175.43 1pnx n GLY 55 N 5.16 -0.44 3.95 4.40 0.00 -1.26 -3.89 105.19 113.12 1pnx n GLY 55 Ca -0.07 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1pnx n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pnx s GLN 56 N -2.00 3.42 0.06 1.61 -0.21 -1.26 -5.05 119.66 116.23 1pnx s GLN 56 Ca 0.08 -0.45 -0.31 0.00 0.02 0.00 0.00 55.36 54.70 1pnx s GLN 56 Cb 0.03 -2.70 -0.07 0.00 1.00 0.00 0.00 33.01 31.28 1pnx s GLN 56 CO 0.06 0.15 1.42 -1.21 -2.12 0.00 0.00 175.29 173.59 1pnx s GLU 57 N -4.28 4.29 0.15 2.91 2.02 -1.26 -4.47 118.70 118.06 1pnx s GLU 57 Ca 0.40 2.04 -0.24 0.00 0.02 0.00 0.00 54.97 57.19 1pnx s GLU 57 Cb -0.10 -3.44 0.03 0.00 0.10 0.00 0.00 34.13 30.72 1pnx s GLU 57 CO 0.35 -0.53 1.61 -1.00 0.02 0.00 0.00 175.26 175.71 1pnx h PRO 58 N 7.43 -0.29 -1.03 0.39 0.13 -1.86 -2.32 132.00 134.46 1pnx h PRO 58 Ca -0.40 0.02 0.34 0.00 -0.87 0.00 0.00 66.00 65.09 1pnx h PRO 58 Cb 1.19 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1pnx h PRO 58 CO 0.89 -0.20 0.59 1.25 -0.23 0.00 0.00 178.00 180.30 1pnx h LEU 59 N -0.30 0.48 -0.27 1.56 5.85 -1.92 0.31 115.31 121.01 1pnx h LEU 59 Ca 0.14 0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.88 1pnx h LEU 59 Cb 0.53 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1pnx h LEU 59 CO -0.46 -0.17 -0.82 0.50 -0.34 0.00 0.00 178.44 177.16 1pnx h LYS 60 N 0.27 0.00 -0.32 1.25 3.64 -1.82 -2.53 116.57 117.06 1pnx h LYS 60 Ca 0.75 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 60.07 1pnx h LYS 60 Cb 1.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.61 1pnx h LYS 60 CO -0.60 0.82 -0.05 0.28 -2.27 0.00 0.00 179.45 177.63 1pnx h VAL 61 N 0.00 1.27 0.43 2.00 2.07 -0.24 -1.79 116.25 119.99 1pnx h VAL 61 Ca -0.01 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1pnx h VAL 61 Cb 1.50 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1pnx h VAL 61 CO 0.11 0.34 -0.33 0.15 0.02 0.00 0.00 177.57 177.86 1pnx h PHE 62 N 0.38 -0.90 -0.96 1.57 3.57 -1.13 -0.52 116.94 118.93 1pnx h PHE 62 Ca 0.08 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.75 1pnx h PHE 62 Cb 0.53 0.34 -0.09 0.00 2.79 0.00 0.00 35.95 39.52 1pnx h PHE 62 CO 0.05 -0.47 0.61 0.87 -2.23 0.00 0.00 178.31 177.13 1pnx h LYS 63 N -0.74 0.72 -0.34 1.11 1.57 -1.50 0.15 116.57 117.54 1pnx h LYS 63 Ca -0.06 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1pnx h LYS 63 Cb 0.61 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1pnx h LYS 63 CO 0.02 0.48 0.20 0.37 -0.57 0.00 0.00 179.45 179.94 1pnx h GLN 64 N 0.74 0.39 0.07 3.15 5.75 -1.01 -2.15 115.11 122.06 1pnx h GLN 64 Ca 0.51 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.99 1pnx h GLN 64 Cb 0.82 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 1pnx h GLN 64 CO -0.28 0.26 -0.11 0.00 -2.65 0.00 0.00 178.83 176.05 1pnx h ALA 65 N 1.15 -0.76 -0.81 3.38 0.00 0.92 -2.25 119.26 120.89 1pnx h ALA 65 Ca 0.13 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1pnx h ALA 65 Cb -0.00 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 18.07 1pnx h ALA 65 CO -0.06 -0.78 -0.13 0.28 0.00 0.00 0.00 179.25 178.57 1pnx n VAL 66 N -3.00 -0.34 -0.06 0.00 0.31 -0.65 -0.03 118.33 114.57 1pnx n VAL 66 Ca -0.02 1.83 -0.08 0.00 -0.01 0.00 0.00 64.34 66.05 1pnx n VAL 66 Cb 0.09 -2.58 -0.02 0.00 -0.91 0.00 0.00 33.84 30.43 1pnx n VAL 66 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1pnx h GLU 67 N 0.00 -0.23 0.00 5.55 4.57 -0.80 -1.71 114.58 121.96 1pnx h GLU 67 Ca 0.42 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 1pnx h GLU 67 Cb 0.73 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1pnx h GLU 67 CO -0.81 -0.15 -0.07 -0.91 -1.18 0.00 0.00 179.01 175.89 1pnx h ASN 68 N -0.24 0.00 0.14 1.04 2.35 -0.07 -3.02 115.58 115.79 1pnx h ASN 68 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1pnx h ASN 68 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1pnx h ASN 68 CO -0.40 0.07 -0.21 0.52 -1.65 0.00 0.00 177.43 175.76 1pnx n VAL 69 N -3.22 0.00 -2.78 2.81 0.31 -0.71 -4.86 118.33 109.88 1pnx n VAL 69 Ca -0.00 -0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 1pnx n VAL 69 Cb 0.31 0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 33.78 1pnx n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1pnx s LYS 70 N -2.36 4.10 0.32 5.55 1.02 -0.81 -4.37 119.74 123.19 1pnx s LYS 70 Ca 0.27 0.97 -0.27 0.00 0.02 0.00 0.00 55.97 56.96 1pnx s LYS 70 Cb 0.20 -3.70 -0.09 0.00 -0.52 0.00 0.00 37.83 33.72 1pnx s LYS 70 CO 0.47 -0.71 1.04 -1.25 -0.92 0.00 0.00 175.35 173.99 1pnx s PRO 71 N 3.21 4.48 -0.01 -1.68 0.04 -1.26 -4.94 135.00 134.85 1pnx s PRO 71 Ca 0.39 1.61 0.17 0.00 0.04 0.00 0.00 61.00 63.21 1pnx s PRO 71 Cb -0.14 -2.92 -0.21 0.00 0.04 0.00 0.00 34.50 31.27 1pnx s PRO 71 CO 0.11 0.13 0.65 2.89 0.04 0.00 0.00 177.00 180.81 1pnx n ARG 72 N 0.69 1.09 -3.85 4.56 1.85 -1.26 -4.76 116.66 114.98 1pnx n ARG 72 Ca 0.01 -0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.70 1pnx n ARG 72 Cb 0.47 -1.35 -0.13 0.00 -1.05 0.00 0.00 32.46 30.41 1pnx n ARG 72 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1pnx s MET 73 N -2.79 0.12 0.07 2.89 -1.94 -1.26 -3.21 119.30 113.17 1pnx s MET 73 Ca 0.03 0.08 -0.08 0.00 -1.71 0.00 0.00 55.69 54.01 1pnx s MET 73 Cb 0.13 0.05 -0.00 0.00 2.01 0.00 0.00 34.83 37.02 1pnx s MET 73 CO 0.72 -0.02 0.17 -1.83 -0.01 0.00 0.00 175.02 174.05 1pnx s GLU 74 N -0.05 0.77 -0.18 2.03 -1.05 -0.11 -3.80 118.70 116.30 1pnx s GLU 74 Ca -0.01 -0.86 -0.10 0.00 -0.15 0.00 0.00 54.97 53.84 1pnx s GLU 74 Cb -0.01 0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 1pnx s GLU 74 CO 0.00 -0.23 0.16 0.08 0.95 0.00 0.00 175.26 176.22 1pnx s VAL 75 N -3.39 5.41 -0.12 1.83 1.01 -1.26 -0.88 120.40 122.99 1pnx s VAL 75 Ca 0.01 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1pnx s VAL 75 Cb 0.03 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1pnx s VAL 75 CO -0.08 0.47 -0.22 -0.13 0.00 0.00 0.00 175.10 175.13 1pnx s ARG 76 N 0.11 2.95 1.05 2.72 0.52 0.77 -4.93 118.95 122.15 1pnx s ARG 76 Ca 0.10 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.36 1pnx s ARG 76 Cb -0.11 -2.33 0.22 0.00 0.52 0.00 0.00 34.95 33.24 1pnx s ARG 76 CO -0.00 0.05 1.08 0.45 0.02 0.00 0.00 175.30 176.90 1pnx s SER 77 N 0.66 1.92 -0.29 0.23 0.15 -1.26 -0.83 113.70 114.27 1pnx s SER 77 Ca -0.11 1.75 -0.23 0.00 0.70 0.00 0.00 55.95 58.06 1pnx s SER 77 Cb -0.16 -2.38 0.17 0.00 -1.71 0.00 0.00 66.02 61.93 1pnx s SER 77 CO 0.02 -3.66 1.28 -0.60 1.20 0.00 0.00 173.24 171.49 1pnx s ARG 78 N -4.58 0.19 -0.25 5.44 3.52 -0.92 -4.72 118.95 117.63 1pnx s ARG 78 Ca 0.67 0.25 -0.22 0.00 -0.13 0.00 0.00 55.73 56.30 1pnx s ARG 78 Cb -0.23 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 1pnx s ARG 78 CO 0.61 -0.03 0.73 1.03 -0.81 0.00 0.00 175.30 176.84 1pnx s ARG 79 N 0.31 4.13 -0.18 5.12 0.52 -1.26 -1.09 118.95 126.50 1pnx s ARG 79 Ca 0.03 0.72 -0.04 0.00 -0.52 0.00 0.00 55.73 55.93 1pnx s ARG 79 Cb -0.05 -3.65 0.06 0.00 0.52 0.00 0.00 34.95 31.83 1pnx s ARG 79 CO -0.12 -0.48 0.06 0.08 0.02 0.00 0.00 175.30 174.85 1pnx s VAL 80 N 2.69 0.23 -0.37 3.52 1.01 -0.94 -4.96 120.40 121.59 1pnx s VAL 80 Ca 0.30 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1pnx s VAL 80 Cb -0.15 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1pnx s VAL 80 CO 0.08 -0.24 0.53 0.61 0.00 0.00 0.00 175.10 176.08 1pnx n GLY 81 N 5.16 -0.14 6.25 4.51 0.00 -1.26 -3.99 105.19 115.71 1pnx n GLY 81 Ca -0.08 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.91 1pnx n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pnx n GLY 82 N 0.08 1.97 3.45 -0.02 0.00 -1.26 -4.93 105.19 104.47 1pnx n GLY 82 Ca -0.05 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1pnx n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnx n ALA 83 N 3.76 -2.63 -3.54 4.61 0.00 -1.26 -4.95 120.51 116.51 1pnx n ALA 83 Ca 0.00 -0.85 -0.40 0.00 0.00 0.00 0.00 53.44 52.19 1pnx n ALA 83 Cb 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 1pnx n ALA 83 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1pnx s ASN 84 N -2.17 6.24 0.17 0.00 0.01 -1.26 -2.22 114.94 115.71 1pnx s ASN 84 Ca 0.61 -3.34 -0.31 0.00 -0.71 0.00 0.00 52.86 49.11 1pnx s ASN 84 Cb -0.20 -2.01 -0.09 0.00 0.41 0.00 0.00 41.25 39.36 1pnx s ASN 84 CO 0.65 -0.31 1.41 -0.31 -1.51 0.00 0.00 177.10 177.02 1pnx s TYR 85 N -0.80 3.17 -0.83 2.20 4.12 -0.25 -4.56 117.35 120.41 1pnx s TYR 85 Ca 0.24 0.99 -0.24 0.00 0.02 0.00 0.00 57.07 58.08 1pnx s TYR 85 Cb -0.11 -3.73 0.05 0.00 -1.52 0.00 0.00 41.96 36.66 1pnx s TYR 85 CO -0.09 -2.46 1.26 -0.65 0.02 0.00 0.00 175.55 173.62 1pnx s GLN 86 N 0.46 3.33 -0.04 -0.62 -1.52 -1.26 -2.15 119.66 117.86 1pnx s GLN 86 Ca 0.62 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 1pnx s GLN 86 Cb -0.39 -4.61 -0.03 0.00 -0.22 0.00 0.00 33.01 27.77 1pnx s GLN 86 CO 0.35 -2.07 1.04 0.08 -0.25 0.00 0.00 175.29 174.45 1pnx s VAL 87 N 4.89 4.67 0.16 1.09 1.01 -0.01 -4.74 120.40 127.47 1pnx s VAL 87 Ca 0.36 1.93 -0.27 0.00 0.00 0.00 0.00 61.98 63.99 1pnx s VAL 87 Cb -0.07 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1pnx s VAL 87 CO 0.04 0.08 0.85 -2.16 0.00 0.00 0.00 175.10 173.91 1pnx s PRO 88 N 1.55 4.66 0.12 2.72 0.04 -1.26 -0.16 135.00 142.66 1pnx s PRO 88 Ca 0.52 1.28 -0.25 0.00 0.04 0.00 0.00 61.00 62.59 1pnx s PRO 88 Cb -0.21 -3.30 0.07 0.00 0.04 0.00 0.00 34.50 31.10 1pnx s PRO 88 CO 0.24 0.46 0.72 0.00 0.04 0.00 0.00 177.00 178.45 1pnx s MET 89 N -0.81 1.19 1.18 4.56 0.23 -0.06 -4.84 119.30 120.75 1pnx s MET 89 Ca 0.39 -0.48 -0.18 0.00 -1.03 0.00 0.00 55.69 54.40 1pnx s MET 89 Cb -0.24 0.52 0.22 0.00 -1.53 0.00 0.00 34.83 33.80 1pnx s MET 89 CO 0.28 -0.52 0.45 0.39 -2.03 0.00 0.00 175.02 173.59 1pnx n GLU 90 N -0.35 -2.74 -4.33 3.16 1.02 -1.26 -0.93 120.64 115.20 1pnx n GLU 90 Ca -0.13 -0.80 -0.22 0.00 -0.02 0.00 0.00 57.16 55.99 1pnx n GLU 90 Cb 0.63 -1.75 -0.16 0.00 -0.02 0.00 0.00 31.44 30.13 1pnx n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pnx s VAL 91 N -2.18 0.82 0.80 2.62 1.01 -1.20 -4.50 120.40 117.77 1pnx s VAL 91 Ca 0.55 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 1pnx s VAL 91 Cb -0.12 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1pnx s VAL 91 CO 0.54 0.29 0.82 -1.54 0.00 0.00 0.00 175.10 175.21 1pnx n SER 92 N 3.99 -0.30 -0.27 3.32 3.41 -1.26 -4.76 113.62 117.76 1pnx n SER 92 Ca -0.23 0.55 -0.05 0.00 -0.26 0.00 0.00 58.87 58.87 1pnx n SER 92 Cb 0.51 -1.35 0.09 0.00 -0.26 0.00 0.00 64.21 63.20 1pnx n SER 92 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1pnx h PRO 93 N -0.80 1.14 0.35 4.33 0.13 -2.00 -1.25 132.00 133.89 1pnx h PRO 93 Ca -0.46 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 1pnx h PRO 93 Cb 1.31 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1pnx h PRO 93 CO 0.43 0.92 -0.21 -0.09 -0.23 0.00 0.00 178.00 178.82 1pnx h ARG 94 N 1.11 -0.51 -0.28 0.86 9.65 -2.01 -2.86 114.38 120.34 1pnx h ARG 94 Ca 0.25 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.14 1pnx h ARG 94 Cb 0.21 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1pnx h ARG 94 CO -0.02 -0.34 0.02 -0.09 2.80 0.00 0.00 179.97 182.34 1pnx h ARG 95 N -0.53 0.41 -0.41 0.20 2.43 -1.87 -2.59 114.38 112.02 1pnx h ARG 95 Ca -0.04 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1pnx h ARG 95 Cb 0.43 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1pnx h ARG 95 CO 0.04 0.42 0.15 1.96 -1.51 0.00 0.00 179.97 181.03 1pnx h GLN 96 N 0.40 0.30 0.86 0.20 4.20 -1.01 -1.38 115.11 118.69 1pnx h GLN 96 Ca 0.09 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1pnx h GLN 96 Cb 0.23 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1pnx h GLN 96 CO 0.00 0.20 -0.41 0.37 -0.67 0.00 0.00 178.83 178.32 1pnx h GLN 97 N 0.31 -1.12 -0.94 1.46 4.15 -1.32 0.10 115.11 117.76 1pnx h GLN 97 Ca 0.19 0.08 0.26 0.00 0.77 0.00 0.00 58.65 59.94 1pnx h GLN 97 Cb 0.17 0.25 -0.17 0.00 0.21 0.00 0.00 27.48 27.95 1pnx h GLN 97 CO -0.19 -0.74 0.09 0.77 -1.93 0.00 0.00 178.83 176.83 1pnx h SER 98 N -1.27 -0.33 -0.11 -0.69 0.02 -1.33 0.12 113.55 109.95 1pnx h SER 98 Ca -0.12 0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1pnx h SER 98 Cb 0.89 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 1pnx h SER 98 CO 0.19 -0.30 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.39 1pnx h LEU 99 N 0.06 0.31 0.32 5.07 3.38 -1.14 -1.87 115.31 121.44 1pnx h LEU 99 Ca 0.58 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pnx h LEU 99 Cb 1.19 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1pnx h LEU 99 CO -0.83 0.74 -0.46 0.00 0.09 0.00 0.00 178.44 177.98 1pnx h ALA 100 N 0.57 -0.96 -0.12 1.53 0.00 0.12 0.35 119.26 120.75 1pnx h ALA 100 Ca 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pnx h ALA 100 Cb 0.66 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1pnx h ALA 100 CO 0.03 -1.09 -0.04 -0.07 0.00 0.00 0.00 179.25 178.08 1pnx h LEU 101 N -0.84 -0.13 -0.07 0.00 3.38 -1.20 -0.22 115.31 116.23 1pnx h LEU 101 Ca -0.03 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1pnx h LEU 101 Cb 0.78 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1pnx h LEU 101 CO -0.14 -0.05 -0.19 -0.09 0.09 0.00 0.00 178.44 178.05 1pnx h ARG 102 N -0.01 -0.27 -0.72 1.13 2.43 -1.09 -1.95 114.38 113.90 1pnx h ARG 102 Ca 0.06 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1pnx h ARG 102 Cb 0.10 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1pnx h ARG 102 CO -0.13 -0.18 0.39 -1.49 -1.51 0.00 0.00 179.97 177.05 1pnx h TRP 103 N -0.28 0.70 0.47 2.20 6.55 0.06 -0.80 115.95 124.86 1pnx h TRP 103 Ca 0.08 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.93 1pnx h TRP 103 Cb 0.39 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.47 1pnx h TRP 103 CO -0.27 0.30 -0.40 -0.07 -1.05 0.00 0.00 178.44 176.94 1pnx h LEU 104 N 0.68 -1.08 -1.01 -4.49 3.38 -0.39 0.25 115.31 112.65 1pnx h LEU 104 Ca 0.34 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.59 1pnx h LEU 104 Cb 0.29 0.34 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 1pnx h LEU 104 CO -0.23 -0.56 0.61 0.58 0.09 0.00 0.00 178.44 178.93 1pnx h VAL 105 N -0.85 0.65 0.25 1.22 2.07 -1.10 0.34 116.25 118.83 1pnx h VAL 105 Ca -0.06 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1pnx h VAL 105 Cb 0.72 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1pnx h VAL 105 CO -0.01 0.13 -0.12 1.56 0.02 0.00 0.00 177.57 179.15 1pnx h GLN 106 N 0.71 -0.32 -0.42 1.57 4.20 -0.63 -0.69 115.11 119.53 1pnx h GLN 106 Ca 0.60 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 59.27 1pnx h GLN 106 Cb 1.00 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 1pnx h GLN 106 CO -0.41 -0.08 0.01 0.00 -0.67 0.00 0.00 178.83 177.68 1pnx h ALA 107 N 0.19 1.24 -0.59 3.87 0.00 -0.31 -2.21 119.26 121.44 1pnx h ALA 107 Ca -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pnx h ALA 107 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1pnx h ALA 107 CO 0.06 0.51 0.37 0.00 0.00 0.00 0.00 179.25 180.18 1pnx h ALA 108 N 1.39 0.76 -0.01 0.00 0.00 -0.21 0.77 119.26 121.95 1pnx h ALA 108 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pnx h ALA 108 Cb 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pnx h ALA 108 CO 0.01 0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.58 1pnx n ASN 109 N -4.64 0.08 -0.00 0.00 3.02 -0.28 -2.32 115.26 111.12 1pnx n ASN 109 Ca 0.04 -1.63 0.10 0.00 -0.03 0.00 0.00 54.58 53.06 1pnx n ASN 109 Cb 0.04 -0.01 -0.13 0.00 -0.61 0.00 0.00 39.78 39.08 1pnx n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pnx n GLN 110 N -0.64 0.37 -1.23 3.52 1.13 0.22 -4.98 117.38 115.78 1pnx n GLN 110 Ca 0.09 -0.06 -0.29 0.00 -1.94 0.00 0.00 57.00 54.81 1pnx n GLN 110 Cb 0.05 -1.48 0.17 0.00 0.11 0.00 0.00 30.24 29.10 1pnx n GLN 110 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1pnx s ARG 111 N -3.10 0.56 -0.18 -1.09 0.52 -0.94 -5.03 118.95 109.70 1pnx s ARG 111 Ca 0.03 0.49 -0.24 0.00 -0.52 0.00 0.00 55.73 55.49 1pnx s ARG 111 Cb 0.15 -1.76 -0.21 0.00 0.52 0.00 0.00 34.95 33.66 1pnx s ARG 111 CO 0.85 -2.63 0.40 -1.00 0.02 0.00 0.00 175.30 172.94 1pnx h PRO 112 N -1.82 0.00 -3.80 3.54 0.13 -1.93 -3.48 132.00 124.64 1pnx h PRO 112 Ca -0.54 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.05 1pnx h PRO 112 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1pnx h PRO 112 CO 0.58 0.95 0.49 -0.85 -0.23 0.00 0.00 178.00 178.94 1pnx n GLU 113 N -4.51 0.00 -0.29 0.86 0.00 -1.26 -4.77 120.64 110.67 1pnx n GLU 113 Ca -0.23 0.00 0.30 0.00 0.00 0.00 0.00 57.16 57.24 1pnx n GLU 113 Cb 0.58 -0.95 0.68 0.00 0.00 0.00 0.00 31.44 31.75 1pnx n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pnx h ARG 114 N 3.51 0.11 -5.72 3.44 3.08 -2.03 -3.42 114.38 113.35 1pnx h ARG 114 Ca -0.25 -0.01 -0.60 0.00 0.07 0.00 0.00 59.98 59.20 1pnx h ARG 114 Cb 0.87 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.80 1pnx h ARG 114 CO 0.63 0.07 0.39 1.03 -1.07 0.00 0.00 179.97 181.02 1pnx s ARG 115 N -5.11 4.17 0.15 0.04 0.52 -1.26 -4.97 118.95 112.49 1pnx s ARG 115 Ca -0.06 0.84 -0.26 0.00 -0.52 0.00 0.00 55.73 55.73 1pnx s ARG 115 Cb 0.23 -3.64 0.01 0.00 0.52 0.00 0.00 34.95 32.07 1pnx s ARG 115 CO 0.80 -0.48 1.58 0.00 0.02 0.00 0.00 175.30 177.22 1pnx h ALA 116 N 7.71 -0.38 -0.63 2.13 0.00 -2.00 -0.36 119.26 125.75 1pnx h ALA 116 Ca -0.24 0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1pnx h ALA 116 Cb 1.10 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 1pnx h ALA 116 CO 0.85 -0.83 0.46 0.00 0.00 0.00 0.00 179.25 179.73 1pnx h ALA 117 N 0.48 2.57 0.00 0.00 0.00 -1.93 -2.20 119.26 118.18 1pnx h ALA 117 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pnx h ALA 117 Cb 0.58 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pnx h ALA 117 CO -0.54 -0.79 -0.02 0.28 0.00 0.00 0.00 179.25 178.19 1pnx h VAL 118 N 0.00 1.67 -1.02 0.00 2.07 -1.43 -2.50 116.25 115.04 1pnx h VAL 118 Ca 0.30 -1.99 0.25 0.00 0.82 0.00 0.00 66.70 66.08 1pnx h VAL 118 Cb 1.22 3.02 -0.11 0.00 -1.52 0.00 0.00 31.29 33.89 1pnx h VAL 118 CO -0.00 0.52 0.62 0.03 0.02 0.00 0.00 177.57 178.76 1pnx h ARG 119 N -0.83 0.50 -0.17 1.57 3.08 -0.75 0.63 114.38 118.41 1pnx h ARG 119 Ca -0.00 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1pnx h ARG 119 Cb 0.86 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1pnx h ARG 119 CO 0.00 0.33 -0.32 0.82 -1.07 0.00 0.00 179.97 179.74 1pnx h ILE 120 N 0.52 1.35 0.53 2.04 2.04 -1.54 -0.60 117.51 121.84 1pnx h ILE 120 Ca 0.63 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1pnx h ILE 120 Cb 1.33 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 1pnx h ILE 120 CO -0.42 0.47 -0.43 0.00 0.00 0.00 0.00 178.15 177.77 1pnx h ALA 121 N 0.58 -1.02 -0.56 1.87 0.00 0.28 -1.03 119.26 119.38 1pnx h ALA 121 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1pnx h ALA 121 Cb 0.91 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1pnx h ALA 121 CO 0.07 -1.10 0.17 0.45 0.00 0.00 0.00 179.25 178.84 1pnx h HIS 122 N -0.95 0.85 -0.05 0.00 3.86 -0.06 -2.75 115.15 116.04 1pnx h HIS 122 Ca -0.06 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1pnx h HIS 122 Cb 0.81 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 1pnx h HIS 122 CO -0.18 0.69 0.02 1.49 0.86 0.00 0.00 177.93 180.81 1pnx h GLU 123 N 0.81 0.07 -0.28 2.45 4.57 -0.92 -1.43 114.58 119.85 1pnx h GLU 123 Ca 0.19 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.42 1pnx h GLU 123 Cb 0.24 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.75 1pnx h GLU 123 CO -0.01 0.18 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.76 1pnx h LEU 124 N -0.06 -0.59 0.43 1.64 3.38 -1.05 0.36 115.31 119.41 1pnx h LEU 124 Ca 0.02 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1pnx h LEU 124 Cb 0.14 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1pnx h LEU 124 CO -0.00 -0.22 -0.42 0.24 0.09 0.00 0.00 178.44 178.13 1pnx h MET 125 N -0.15 -0.83 -0.83 1.13 2.86 -1.36 -0.04 114.93 115.70 1pnx h MET 125 Ca 0.15 0.06 0.19 0.00 -2.06 0.00 0.00 59.70 58.04 1pnx h MET 125 Cb 0.38 0.19 -0.12 0.00 0.06 0.00 0.00 31.60 32.11 1pnx h MET 125 CO -0.38 -0.56 0.30 -0.44 1.06 0.00 0.00 176.91 176.90 1pnx h ASP 126 N -0.86 0.19 -0.64 1.22 5.19 -0.98 0.31 116.42 120.85 1pnx h ASP 126 Ca -0.04 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1pnx h ASP 126 Cb 0.77 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.40 1pnx h ASP 126 CO -0.06 -0.01 0.42 0.00 -3.12 0.00 0.00 179.24 176.46 1pnx h ALA 127 N 1.67 0.82 -0.24 3.45 0.00 -0.27 0.13 119.26 124.83 1pnx h ALA 127 Ca 0.50 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.39 1pnx h ALA 127 Cb 0.90 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1pnx h ALA 127 CO -0.52 0.23 0.07 0.00 0.00 0.00 0.00 179.25 179.02 1pnx h ALA 128 N 1.24 0.25 0.00 0.00 0.00 0.15 -1.70 119.26 119.20 1pnx h ALA 128 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1pnx h ALA 128 Cb -0.08 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pnx h ALA 128 CO -0.06 -0.35 -0.04 0.93 0.00 0.00 0.00 179.25 179.72 1pnx h GLU 129 N 0.17 0.00 0.00 0.00 4.39 -0.70 -3.46 114.58 114.98 1pnx h GLU 129 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1pnx h GLU 129 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1pnx h GLU 129 CO -0.12 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.18 1pnx n GLY 130 N -0.71 1.13 3.77 -3.84 0.00 -0.50 -5.10 105.19 99.94 1pnx n GLY 130 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1pnx n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pnx s LYS 131 N -0.73 2.18 0.00 1.61 -2.85 0.35 -4.94 119.74 115.35 1pnx s LYS 131 Ca 0.00 -2.28 0.00 0.00 -1.00 0.00 0.00 55.97 52.69 1pnx s LYS 131 Cb 0.00 -1.66 0.00 0.00 -2.06 0.00 0.00 37.83 34.11 1pnx s LYS 131 CO 0.00 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1pnx n GLY 132 N -1.30 2.38 0.44 0.59 0.00 -1.26 -2.60 105.19 103.44 1pnx n GLY 132 Ca -0.14 -1.78 0.26 0.00 0.00 0.00 0.00 46.02 44.36 1pnx n GLY 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pnx h GLY 133 N 0.00 0.00 0.68 -0.02 0.00 -1.95 -1.90 103.07 99.88 1pnx h GLY 133 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1pnx h GLY 133 CO 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.21 1pnx h ALA 134 N 1.57 -1.05 -0.00 3.60 0.00 -1.85 -2.91 119.26 118.61 1pnx h ALA 134 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pnx h ALA 134 Cb 1.50 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1pnx h ALA 134 CO -0.00 -0.98 0.01 0.28 0.00 0.00 0.00 179.25 178.55 1pnx h VAL 135 N -1.08 0.25 0.10 0.00 2.07 -1.65 -2.63 116.25 113.32 1pnx h VAL 135 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1pnx h VAL 135 Cb 0.70 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1pnx h VAL 135 CO 0.15 0.00 -0.06 0.50 0.02 0.00 0.00 177.57 178.19 1pnx h LYS 136 N 0.00 -0.14 -0.92 1.57 3.64 -1.17 -0.84 116.57 118.70 1pnx h LYS 136 Ca 0.00 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.59 1pnx h LYS 136 Cb 0.02 0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 31.70 1pnx h LYS 136 CO -0.00 -0.10 -0.16 0.87 -2.27 0.00 0.00 179.45 177.79 1pnx h LYS 137 N -0.15 0.01 -0.21 1.90 1.57 -1.35 0.33 116.57 118.67 1pnx h LYS 137 Ca -0.01 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1pnx h LYS 137 Cb 0.12 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1pnx h LYS 137 CO 0.02 0.01 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.58 1pnx h LYS 138 N 0.01 -0.08 0.00 3.15 3.11 -1.33 0.75 116.57 122.18 1pnx h LYS 138 Ca 0.47 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.25 1pnx h LYS 138 Cb 0.78 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 1pnx h LYS 138 CO -0.92 -0.05 -0.32 0.93 -2.81 0.00 0.00 179.45 176.27 1pnx h GLU 139 N -0.08 0.00 -0.50 1.90 5.08 0.76 -2.73 114.58 119.00 1pnx h GLU 139 Ca 0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 1pnx h GLU 139 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1pnx h GLU 139 CO -0.26 0.32 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.45 1pnx h ASP 140 N 0.00 1.03 0.77 1.42 5.19 0.63 -1.73 116.42 123.73 1pnx h ASP 140 Ca -0.00 -0.37 -0.04 0.00 -0.62 0.00 0.00 57.03 56.00 1pnx h ASP 140 Cb 0.76 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.00 1pnx h ASP 140 CO 0.04 1.17 -0.37 0.58 -3.12 0.00 0.00 179.24 177.54 1pnx h VAL 141 N 0.88 0.18 -0.93 -1.35 2.07 -0.61 0.47 116.25 116.95 1pnx h VAL 141 Ca 0.12 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.67 1pnx h VAL 141 Cb 0.76 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 1pnx h VAL 141 CO 0.06 0.01 0.55 -0.33 0.02 0.00 0.00 177.57 177.88 1pnx h GLU 142 N -1.13 0.79 -0.30 1.57 5.08 -1.51 0.72 114.58 119.81 1pnx h GLU 142 Ca -0.11 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1pnx h GLU 142 Cb 0.81 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1pnx h GLU 142 CO 0.17 0.53 0.16 0.00 -1.00 0.00 0.00 179.01 178.87 1pnx h ARG 143 N 0.82 0.32 -0.53 2.33 3.08 -1.08 -2.12 114.38 117.19 1pnx h ARG 143 Ca 0.49 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.62 1pnx h ARG 143 Cb 0.59 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.48 1pnx h ARG 143 CO -0.31 0.21 0.05 0.52 -1.07 0.00 0.00 179.97 179.37 1pnx h MET 144 N 0.33 0.16 -7.71 0.04 2.86 0.14 -3.23 114.93 107.51 1pnx h MET 144 Ca 0.12 -0.01 -0.45 0.00 -2.06 0.00 0.00 59.70 57.30 1pnx h MET 144 Cb 0.02 -0.04 0.15 0.00 0.06 0.00 0.00 31.60 31.79 1pnx h MET 144 CO -0.07 0.11 0.39 0.00 1.06 0.00 0.00 176.91 178.39 1pnx s ALA 145 N -6.15 2.17 0.00 6.32 0.00 -0.47 -3.21 121.76 120.43 1pnx s ALA 145 Ca -0.13 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1pnx s ALA 145 Cb 0.17 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1pnx s ALA 145 CO 0.73 -2.32 0.00 0.39 0.00 0.00 0.00 175.76 174.56 1pnx n GLU 146 N -3.73 -0.76 0.00 0.00 -0.58 -1.25 -4.35 120.64 109.97 1pnx n GLU 146 Ca 0.12 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1pnx n GLU 146 Cb 0.60 -4.57 0.00 0.00 -0.57 0.00 0.00 31.44 26.89 1pnx n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pnx n ALA 147 N 1.00 0.97 -1.72 0.62 0.00 -1.20 -4.49 120.51 115.70 1pnx n ALA 147 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1pnx n ALA 147 Cb 0.19 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.69 1pnx n ALA 147 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pnx n ASN 148 N -0.25 0.83 -0.35 0.00 3.02 -1.20 -4.84 115.26 112.47 1pnx n ASN 148 Ca 0.00 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 1pnx n ASN 148 Cb 0.06 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1pnx n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1pnx n ARG 149 N -0.46 0.60 -0.05 3.52 0.63 -1.26 -2.37 116.66 117.27 1pnx n ARG 149 Ca 0.06 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.79 1pnx n ARG 149 Cb 0.70 -1.21 -0.13 0.00 0.45 0.00 0.00 32.46 32.27 1pnx n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pnx n ALA 150 N -0.01 1.15 1.04 5.13 0.00 -1.26 -4.02 120.51 122.52 1pnx n ALA 150 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 53.44 52.64 1pnx n ALA 150 Cb 0.10 -0.43 0.09 0.00 0.00 0.00 0.00 19.45 19.22 1pnx n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pnx n TYR 151 N -3.36 0.37 1.28 0.00 4.02 -1.00 -4.01 117.16 114.45 1pnx n TYR 151 Ca -0.38 -0.15 0.11 0.00 -0.01 0.00 0.00 57.90 57.47 1pnx n TYR 151 Cb 1.03 -0.09 0.61 0.00 -0.02 0.00 0.00 39.34 40.88 1pnx n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pnx n ALA 152 N 0.09 2.26 0.49 -0.72 0.00 -1.25 -2.15 120.51 119.23 1pnx n ALA 152 Ca 0.07 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.43 1pnx n ALA 152 Cb 0.30 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 18.59 1pnx n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1pnx n HIS 153 N -1.04 0.73 -1.44 0.00 1.44 -1.26 -2.70 115.22 110.94 1pnx n HIS 153 Ca 0.15 -0.30 -0.09 0.00 -2.01 0.00 0.00 57.72 55.47 1pnx n HIS 153 Cb 0.08 -0.11 0.19 0.00 0.12 0.00 0.00 29.99 30.27 1pnx n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1pnx n TYR 154 N 0.53 1.46 0.00 -1.40 0.53 -0.91 -4.91 117.16 112.46 1pnx n TYR 154 Ca 0.14 -1.70 0.00 0.00 -1.02 0.00 0.00 57.90 55.32 1pnx n TYR 154 Cb 0.48 -0.58 0.00 0.00 -1.03 0.00 0.00 39.34 38.21 1pnx n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1pnx n ARG 155 N -1.12 0.00 -0.84 -0.72 5.12 -1.10 -5.01 116.66 112.99 1pnx n ARG 155 Ca 0.38 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1pnx n ARG 155 Cb 1.13 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.43 1pnx n ARG 155 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57