#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx s ARG 3 N 0.00 4.28 0.00 0.00 0.52 -1.25 -4.18 118.95 118.32 1pnx s ARG 3 Ca 0.00 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 1pnx s ARG 3 Cb 0.00 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1pnx s ARG 3 CO 0.00 -0.55 0.00 -0.89 0.02 0.00 0.00 175.30 173.88 1pnx n ILE 4 N 4.37 0.00 -1.98 1.52 5.41 0.50 -4.95 119.36 124.23 1pnx n ILE 4 Ca 0.13 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.59 1pnx n ILE 4 Cb 0.42 -0.13 0.17 0.00 -0.71 0.00 0.00 39.64 39.40 1pnx n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pnx s ALA 5 N -2.68 2.40 -0.25 -1.39 0.00 -1.26 -4.67 121.76 113.91 1pnx s ALA 5 Ca 0.00 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 1pnx s ALA 5 Cb 0.00 -2.73 -0.06 0.00 0.00 0.00 0.00 23.12 20.33 1pnx s ALA 5 CO 0.00 -2.27 0.66 0.41 0.00 0.00 0.00 175.76 174.56 1pnx n GLY 6 N -3.64 -0.12 3.32 0.00 0.00 -1.26 0.23 105.19 103.71 1pnx n GLY 6 Ca 0.14 0.25 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 1pnx n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pnx n VAL 7 N 1.83 -1.58 -3.40 1.61 0.24 -1.26 -4.88 118.33 110.89 1pnx n VAL 7 Ca 0.17 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.09 1pnx n VAL 7 Cb 0.01 -2.65 -0.06 0.00 -1.47 0.00 0.00 33.84 29.66 1pnx n VAL 7 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1pnx s GLU 8 N -5.99 4.30 -0.39 7.34 0.41 0.62 -4.99 118.70 120.00 1pnx s GLU 8 Ca 0.41 0.30 0.09 0.00 -0.41 0.00 0.00 54.97 55.36 1pnx s GLU 8 Cb -0.20 -3.44 0.28 0.00 -1.78 0.00 0.00 34.13 28.99 1pnx s GLU 8 CO 0.50 0.17 0.64 -0.89 -0.49 0.00 0.00 175.26 175.18 1pnx n ILE 9 N 3.71 -0.46 -2.63 -1.63 -0.00 -1.26 -0.37 119.36 116.73 1pnx n ILE 9 Ca -0.09 -3.92 -0.43 0.00 -0.00 0.00 0.00 62.75 58.31 1pnx n ILE 9 Cb 0.52 -1.05 -0.02 0.00 -0.00 0.00 0.00 39.64 39.09 1pnx n ILE 9 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1pnx s PRO 10 N -1.39 4.31 0.08 0.38 0.04 -1.26 -4.89 135.00 132.26 1pnx s PRO 10 Ca 0.36 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1pnx s PRO 10 Cb 0.24 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1pnx s PRO 10 CO -0.11 -0.53 0.02 0.50 0.04 0.00 0.00 177.00 176.91 1pnx s ARG 11 N 2.82 0.73 -1.58 4.56 3.52 -1.26 -3.49 118.95 124.25 1pnx s ARG 11 Ca 0.47 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1pnx s ARG 11 Cb -0.17 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1pnx s ARG 11 CO 0.12 -0.17 0.00 -1.71 -0.81 0.00 0.00 175.30 172.72 1pnx n ASN 12 N 0.03 -5.55 -4.30 -2.12 2.85 -1.26 -4.94 115.26 99.97 1pnx n ASN 12 Ca -0.11 0.37 -0.19 0.00 -0.11 0.00 0.00 54.58 54.53 1pnx n ASN 12 Cb 0.62 -4.36 -0.10 0.00 1.24 0.00 0.00 39.78 37.18 1pnx n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1pnx s LYS 13 N -3.24 1.57 0.41 1.20 1.02 -1.26 -4.81 119.74 114.63 1pnx s LYS 13 Ca 0.00 -1.88 -0.25 0.00 0.02 0.00 0.00 55.97 53.86 1pnx s LYS 13 Cb 0.00 -0.48 -0.10 0.00 -0.52 0.00 0.00 37.83 36.72 1pnx s LYS 13 CO 0.00 -0.30 1.18 0.54 -0.92 0.00 0.00 175.35 175.85 1pnx n ARG 14 N -0.60 1.73 -0.26 1.68 1.74 -1.26 -0.42 116.66 119.26 1pnx n ARG 14 Ca -0.01 0.61 0.01 0.00 -0.77 0.00 0.00 57.85 57.69 1pnx n ARG 14 Cb 0.66 -2.24 0.13 0.00 -1.02 0.00 0.00 32.46 29.99 1pnx n ARG 14 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1pnx h VAL 15 N 1.94 0.93 0.08 1.55 2.07 -0.91 0.15 116.25 122.06 1pnx h VAL 15 Ca -0.46 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1pnx h VAL 15 Cb 1.31 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1pnx h VAL 15 CO 0.59 0.13 -0.06 -2.24 0.02 0.00 0.00 177.57 176.01 1pnx h ASP 16 N 0.73 -0.16 -0.84 0.57 3.04 -1.88 0.27 116.42 118.15 1pnx h ASP 16 Ca 0.35 0.01 0.13 0.00 -3.24 0.00 0.00 57.03 54.28 1pnx h ASP 16 Cb 0.28 0.05 -0.13 0.00 -1.04 0.00 0.00 39.33 38.49 1pnx h ASP 16 CO -0.22 -0.09 -0.33 0.52 -2.04 0.00 0.00 179.24 177.08 1pnx n VAL 17 N -2.59 -0.45 -0.21 4.15 0.31 -1.11 -0.14 118.33 118.30 1pnx n VAL 17 Ca -0.02 1.98 -0.02 0.00 -0.01 0.00 0.00 64.34 66.27 1pnx n VAL 17 Cb 0.06 -2.61 0.09 0.00 -0.91 0.00 0.00 33.84 30.48 1pnx n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pnx h ALA 18 N 1.14 0.83 0.00 3.52 0.00 -0.43 -0.79 119.26 123.53 1pnx h ALA 18 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1pnx h ALA 18 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pnx h ALA 18 CO -0.84 -0.03 -0.08 -0.07 0.00 0.00 0.00 179.25 178.23 1pnx h LEU 19 N 0.59 0.00 -1.62 0.00 3.38 0.30 -0.91 115.31 117.04 1pnx h LEU 19 Ca 0.29 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1pnx h LEU 19 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1pnx h LEU 19 CO -0.20 0.08 0.32 0.74 0.09 0.00 0.00 178.44 179.47 1pnx h THR 20 N 0.00 1.01 0.00 0.22 2.02 -0.48 -1.42 112.91 114.27 1pnx h THR 20 Ca -0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1pnx h THR 20 Cb 0.21 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1pnx h THR 20 CO 0.01 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.77 1pnx n TYR 21 N -4.48 0.00 -3.74 3.16 4.02 -0.35 -4.65 117.16 111.13 1pnx n TYR 21 Ca 0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.65 1pnx n TYR 21 Cb 0.20 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 1pnx n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1pnx s ILE 22 N -2.00 5.23 0.12 -0.72 1.01 -0.53 -4.97 121.20 119.33 1pnx s ILE 22 Ca 0.05 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.25 1pnx s ILE 22 Cb 0.02 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1pnx s ILE 22 CO 0.04 -0.01 1.66 0.22 0.00 0.00 0.00 174.94 176.85 1pnx h TYR 23 N 2.60 -0.50 -0.43 3.97 3.20 -1.88 -2.97 116.97 120.96 1pnx h TYR 23 Ca -0.46 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1pnx h TYR 23 Cb 1.17 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.66 1pnx h TYR 23 CO 0.59 -0.27 0.00 0.41 -1.64 0.00 0.00 178.16 177.25 1pnx n GLY 24 N -1.32 1.90 3.35 1.82 0.00 -1.26 -4.88 105.19 104.79 1pnx n GLY 24 Ca -0.05 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1pnx n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pnx s ILE 25 N -1.77 2.83 0.52 -0.61 1.01 -1.12 -4.98 121.20 117.08 1pnx s ILE 25 Ca 0.34 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1pnx s ILE 25 Cb 0.22 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1pnx s ILE 25 CO 0.16 0.54 0.00 -0.83 0.00 0.00 0.00 174.94 174.81 1pnx s GLY 26 N 0.21 3.08 0.42 6.18 0.00 -1.26 -4.46 107.32 111.49 1pnx s GLY 26 Ca -0.10 -0.17 0.22 0.00 0.00 0.00 0.00 44.72 44.68 1pnx s GLY 26 CO 0.06 -2.21 1.64 0.50 0.00 0.00 0.00 173.10 173.09 1pnx h LYS 27 N 1.31 0.00 0.00 2.90 1.79 -1.94 -1.62 116.57 119.01 1pnx h LYS 27 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1pnx h LYS 27 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1pnx h LYS 27 CO 0.73 0.00 -0.02 0.00 -1.08 0.00 0.00 179.45 179.08 1pnx h ALA 28 N 1.55 0.00 0.00 3.86 0.00 -2.00 -3.30 119.26 119.36 1pnx h ALA 28 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pnx h ALA 28 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pnx h ALA 28 CO 0.00 0.02 0.15 0.00 0.00 0.00 0.00 179.25 179.42 1pnx h ARG 29 N -0.54 0.00 0.54 0.00 3.08 -1.87 -2.77 114.38 112.82 1pnx h ARG 29 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1pnx h ARG 29 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.08 1pnx h ARG 29 CO 0.00 0.00 -0.26 0.00 -1.07 0.00 0.00 179.97 178.64 1pnx h ALA 30 N 1.69 -1.16 0.00 0.04 0.00 -1.41 0.58 119.26 119.00 1pnx h ALA 30 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pnx h ALA 30 Cb 0.30 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pnx h ALA 30 CO 0.00 -1.11 -0.01 0.87 0.00 0.00 0.00 179.25 179.00 1pnx h LYS 31 N -0.75 0.00 0.12 0.00 1.57 -1.57 -2.37 116.57 113.56 1pnx h LYS 31 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1pnx h LYS 31 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1pnx h LYS 31 CO 0.12 0.01 -0.06 1.49 -0.57 0.00 0.00 179.45 180.45 1pnx h GLU 32 N 0.00 -0.16 -0.97 3.15 4.81 -1.38 0.17 114.58 120.21 1pnx h GLU 32 Ca -0.00 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.52 1pnx h GLU 32 Cb 0.03 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1pnx h GLU 32 CO 0.00 -0.10 0.76 0.00 -0.73 0.00 0.00 179.01 178.94 1pnx h ALA 33 N -1.09 2.87 0.09 2.92 0.00 -0.78 1.28 119.26 124.54 1pnx h ALA 33 Ca -0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1pnx h ALA 33 Cb 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1pnx h ALA 33 CO 0.03 -1.26 -1.56 -0.07 0.00 0.00 0.00 179.25 176.38 1pnx h LEU 34 N 0.00 0.30 0.12 0.00 3.38 -1.49 -2.97 115.31 114.65 1pnx h LEU 34 Ca 0.46 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pnx h LEU 34 Cb 1.98 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1pnx h LEU 34 CO -0.00 1.38 -0.09 -0.08 0.09 0.00 0.00 178.44 179.73 1pnx h GLU 35 N 0.05 -0.19 0.23 1.13 4.57 0.46 -0.72 114.58 120.11 1pnx h GLU 35 Ca -0.25 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1pnx h GLU 35 Cb 2.00 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 30.59 1pnx h GLU 35 CO 0.14 -0.13 -0.45 0.87 -1.18 0.00 0.00 179.01 178.26 1pnx h LYS 36 N -0.20 -0.73 0.00 1.92 1.57 -0.87 -0.55 116.57 117.71 1pnx h LYS 36 Ca -0.02 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pnx h LYS 36 Cb 0.17 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1pnx h LYS 36 CO 0.01 -0.49 0.00 2.41 -0.57 0.00 0.00 179.45 180.81 1pnx n THR 37 N -5.49 0.00 -3.62 -0.16 -1.04 -1.12 -4.87 114.28 97.98 1pnx n THR 37 Ca -0.09 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.63 1pnx n THR 37 Cb 0.40 -0.67 0.02 0.00 -1.82 0.00 0.00 70.33 68.26 1pnx n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pnx n GLY 38 N -0.35 -0.68 2.95 3.41 0.00 -0.21 -4.95 105.19 105.35 1pnx n GLY 38 Ca 0.04 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.79 1pnx n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pnx s ILE 39 N -2.34 0.27 0.29 -0.61 1.01 -0.52 -5.04 121.20 114.26 1pnx s ILE 39 Ca 0.17 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 1pnx s ILE 39 Cb -0.02 -0.28 -0.11 0.00 0.01 0.00 0.00 42.46 42.07 1pnx s ILE 39 CO 0.88 -0.09 1.49 0.21 0.00 0.00 0.00 174.94 177.43 1pnx s ASN 40 N -0.51 6.52 0.17 3.58 3.04 -1.26 -4.67 114.94 121.81 1pnx s ASN 40 Ca -0.03 2.83 0.08 0.00 0.04 0.00 0.00 52.86 55.78 1pnx s ASN 40 Cb -0.04 -2.64 -0.02 0.00 -1.54 0.00 0.00 41.25 37.01 1pnx s ASN 40 CO -0.00 -0.79 1.39 -0.65 -3.04 0.00 0.00 177.10 174.01 1pnx h PRO 41 N 4.48 0.00 0.00 0.43 0.11 -1.99 -3.25 132.00 131.79 1pnx h PRO 41 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pnx h PRO 41 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pnx h PRO 41 CO 0.75 0.87 0.00 0.00 -0.21 0.00 0.00 178.00 179.41 1pnx h ALA 42 N 1.13 1.00 -2.59 -0.75 0.00 -1.96 -2.50 119.26 113.59 1pnx h ALA 42 Ca -0.01 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 1pnx h ALA 42 Cb 1.55 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.42 1pnx h ALA 42 CO 0.11 0.00 0.81 0.25 0.00 0.00 0.00 179.25 180.42 1pnx n THR 43 N -2.95 0.83 -2.16 0.00 -2.24 -1.23 -4.70 114.28 101.84 1pnx n THR 43 Ca 0.00 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1pnx n THR 43 Cb 0.26 -1.79 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 1pnx n THR 43 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1pnx s ARG 44 N -0.21 4.33 0.41 -0.78 6.06 -1.26 -1.95 118.95 125.55 1pnx s ARG 44 Ca 0.67 2.11 0.24 0.00 -2.50 0.00 0.00 55.73 56.25 1pnx s ARG 44 Cb -0.55 -3.21 1.28 0.00 0.06 0.00 0.00 34.95 32.53 1pnx s ARG 44 CO 0.46 -0.37 1.66 0.28 -2.50 0.00 0.00 175.30 174.83 1pnx h VAL 45 N 3.98 0.25 -0.54 7.11 2.07 -1.03 0.48 116.25 128.56 1pnx h VAL 45 Ca -0.43 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 1pnx h VAL 45 Cb 1.21 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1pnx h VAL 45 CO 0.82 0.04 0.02 0.07 0.02 0.00 0.00 177.57 178.54 1pnx h LYS 46 N 0.20 0.95 0.00 1.57 2.10 -1.90 -2.69 116.57 116.80 1pnx h LYS 46 Ca 0.75 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1pnx h LYS 46 Cb 2.13 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 1pnx h LYS 46 CO -0.44 0.95 0.00 -0.25 -2.00 0.00 0.00 179.45 177.71 1pnx n ASP 47 N -4.28 0.00 -3.95 7.07 8.00 0.16 -4.86 116.55 118.69 1pnx n ASP 47 Ca 0.02 -0.81 -0.29 0.00 0.71 0.00 0.00 54.79 54.41 1pnx n ASP 47 Cb 0.32 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.68 1pnx n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pnx s LEU 48 N -1.87 -0.08 0.11 0.64 1.43 -1.02 -4.89 118.68 113.00 1pnx s LEU 48 Ca 0.30 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.55 1pnx s LEU 48 Cb 0.14 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1pnx s LEU 48 CO 0.23 -4.70 -0.08 -0.89 0.23 0.00 0.00 176.35 171.14 1pnx s THR 49 N -2.47 3.49 0.41 5.49 2.01 -1.26 -5.00 115.64 118.31 1pnx s THR 49 Ca 0.69 -1.24 0.28 0.00 0.31 0.00 0.00 61.69 61.73 1pnx s THR 49 Cb -0.18 -2.64 0.31 0.00 0.01 0.00 0.00 72.50 70.00 1pnx s THR 49 CO 0.60 0.10 2.09 -0.08 -0.69 0.00 0.00 174.62 176.64 1pnx h GLU 50 N 3.53 0.00 -0.07 4.92 4.57 -1.97 0.18 114.58 125.73 1pnx h GLU 50 Ca -0.49 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.50 1pnx h GLU 50 Cb 1.17 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1pnx h GLU 50 CO 0.54 0.10 -0.70 0.00 -1.18 0.00 0.00 179.01 177.77 1pnx h ALA 51 N 1.90 0.18 -0.34 2.92 0.00 -2.00 -2.86 119.26 119.07 1pnx h ALA 51 Ca -0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 1pnx h ALA 51 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pnx h ALA 51 CO 0.01 0.51 -0.46 0.93 0.00 0.00 0.00 179.25 180.24 1pnx h GLU 52 N 0.23 0.89 0.00 0.00 5.08 -1.73 -2.53 114.58 116.52 1pnx h GLU 52 Ca -0.07 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1pnx h GLU 52 Cb 1.36 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1pnx h GLU 52 CO 0.14 1.16 0.00 0.28 -1.00 0.00 0.00 179.01 179.59 1pnx h VAL 53 N 0.71 0.00 0.12 3.13 2.07 -0.73 -0.53 116.25 121.02 1pnx h VAL 53 Ca 0.04 -0.24 -0.36 0.00 0.82 0.00 0.00 66.70 66.96 1pnx h VAL 53 Cb 1.06 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1pnx h VAL 53 CO 0.11 0.00 -1.97 0.52 0.02 0.00 0.00 177.57 176.25 1pnx n VAL 54 N -2.65 1.78 -0.02 2.57 0.31 -1.06 -1.89 118.33 117.37 1pnx n VAL 54 Ca 0.00 -0.67 -0.06 0.00 -0.01 0.00 0.00 64.34 63.61 1pnx n VAL 54 Cb 0.19 -1.69 0.15 0.00 -0.91 0.00 0.00 33.84 31.58 1pnx n VAL 54 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1pnx h ARG 55 N 0.07 0.59 0.25 5.55 3.08 -1.15 0.49 114.38 123.26 1pnx h ARG 55 Ca -0.41 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.39 1pnx h ARG 55 Cb 2.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.07 1pnx h ARG 55 CO 0.09 0.80 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.61 1pnx h LEU 56 N 0.51 -0.28 -1.04 3.04 3.38 -1.24 0.35 115.31 120.03 1pnx h LEU 56 Ca 0.07 -0.23 0.19 0.00 0.09 0.00 0.00 57.88 58.00 1pnx h LEU 56 Cb 0.74 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.46 1pnx h LEU 56 CO 0.06 0.20 0.61 -0.09 0.09 0.00 0.00 178.44 179.31 1pnx h ARG 57 N -0.91 0.72 0.11 1.13 2.43 -1.33 0.39 114.38 116.92 1pnx h ARG 57 Ca -0.03 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.86 1pnx h ARG 57 Cb 0.50 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1pnx h ARG 57 CO 0.06 0.47 -1.12 0.93 -1.51 0.00 0.00 179.97 178.80 1pnx h GLU 58 N 0.74 0.24 -0.18 0.20 4.39 -0.91 -2.92 114.58 116.14 1pnx h GLU 58 Ca 0.58 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1pnx h GLU 58 Cb 0.94 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1pnx h GLU 58 CO -0.38 1.20 0.12 -0.92 -1.16 0.00 0.00 179.01 177.87 1pnx h TYR 59 N -0.39 0.23 0.58 4.33 3.20 0.07 -2.12 116.97 122.87 1pnx h TYR 59 Ca -0.23 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.61 1pnx h TYR 59 Cb 1.66 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 39.86 1pnx h TYR 59 CO 0.16 0.17 -0.28 0.28 -1.64 0.00 0.00 178.16 176.85 1pnx h VAL 60 N 0.23 0.00 -1.05 1.81 2.07 -1.09 -3.16 116.25 115.06 1pnx h VAL 60 Ca 0.07 -0.33 0.29 0.00 0.82 0.00 0.00 66.70 67.55 1pnx h VAL 60 Cb -0.01 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 1pnx h VAL 60 CO -0.01 0.00 0.73 -0.33 0.02 0.00 0.00 177.57 177.98 1pnx h GLU 61 N -1.11 0.12 -3.31 1.57 5.08 -1.60 -3.02 114.58 112.32 1pnx h GLU 61 Ca -0.08 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.63 1pnx h GLU 61 Cb 0.60 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.41 1pnx h GLU 61 CO 0.13 0.08 -0.56 -0.80 -1.00 0.00 0.00 179.01 176.86 1pnx s ASN 62 N -5.34 4.64 0.00 1.42 0.02 -0.80 -4.51 114.94 110.38 1pnx s ASN 62 Ca -0.06 -3.28 0.00 0.00 -1.02 0.00 0.00 52.86 48.50 1pnx s ASN 62 Cb 0.23 -1.68 0.00 0.00 0.02 0.00 0.00 41.25 39.82 1pnx s ASN 62 CO 0.79 -0.20 0.00 1.07 0.02 0.00 0.00 177.10 178.78 1pnx n THR 63 N 2.78 0.00 -4.10 1.60 5.66 -1.15 -4.61 114.28 114.46 1pnx n THR 63 Ca 0.10 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.99 1pnx n THR 63 Cb 0.34 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.01 1pnx n THR 63 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1pnx s TRP 64 N 0.00 0.74 -0.44 1.09 0.51 -1.17 -5.10 118.94 114.56 1pnx s TRP 64 Ca 0.00 -0.68 -0.20 0.00 -2.12 0.00 0.00 56.10 53.10 1pnx s TRP 64 Cb 0.00 -0.44 0.03 0.00 -0.81 0.00 0.00 33.47 32.25 1pnx s TRP 64 CO 0.00 -0.12 0.63 0.21 -0.51 0.00 0.00 176.95 177.16 1pnx s LYS 65 N -2.50 3.26 0.34 4.98 2.20 -1.26 -4.80 119.74 121.96 1pnx s LYS 65 Ca -0.01 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1pnx s LYS 65 Cb -0.04 -3.96 0.01 0.00 -1.51 0.00 0.00 37.83 32.33 1pnx s LYS 65 CO -0.02 -1.02 0.06 1.28 -0.36 0.00 0.00 175.35 175.30 1pnx n LEU 66 N 6.22 0.00 0.00 5.43 4.77 -1.26 -4.72 117.00 127.45 1pnx n LEU 66 Ca -0.02 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 1pnx n LEU 66 Cb 0.48 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1pnx n LEU 66 CO 0.53 -0.34 0.00 -0.62 -1.33 0.00 0.00 177.39 175.63 1pnx n GLU 67 N -0.96 0.00 -0.18 3.23 -0.58 -1.26 -2.42 120.64 118.47 1pnx n GLU 67 Ca -0.11 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.64 1pnx n GLU 67 Cb 0.42 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.33 1pnx n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pnx n GLY 68 N 0.00 -0.90 0.38 0.62 0.00 -1.26 0.17 105.19 104.19 1pnx n GLY 68 Ca 0.00 0.52 0.17 0.00 0.00 0.00 0.00 46.02 46.72 1pnx n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pnx h GLU 69 N 0.00 0.23 0.16 1.61 4.81 -1.96 0.53 114.58 119.96 1pnx h GLU 69 Ca 0.19 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1pnx h GLU 69 Cb 0.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1pnx h GLU 69 CO -0.48 0.15 -0.08 1.25 -0.73 0.00 0.00 179.01 179.13 1pnx h LEU 70 N 0.24 -0.18 -2.01 1.64 6.46 0.20 -2.47 115.31 119.19 1pnx h LEU 70 Ca 0.32 -0.33 0.13 0.00 -0.12 0.00 0.00 57.88 57.88 1pnx h LEU 70 Cb 0.90 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1pnx h LEU 70 CO -0.07 0.39 0.42 0.03 -0.62 0.00 0.00 178.44 178.59 1pnx h ARG 71 N -0.92 0.00 -0.22 1.25 3.08 -1.11 0.61 114.38 117.07 1pnx h ARG 71 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1pnx h ARG 71 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1pnx h ARG 71 CO 0.04 0.00 -0.08 0.00 -1.07 0.00 0.00 179.97 178.85 1pnx h ALA 72 N 1.59 0.30 0.37 0.04 0.00 -0.83 -1.56 119.26 119.18 1pnx h ALA 72 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1pnx h ALA 72 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pnx h ALA 72 CO -0.00 0.12 -0.18 1.49 0.00 0.00 0.00 179.25 180.68 1pnx h GLU 73 N 0.15 -0.48 -0.85 0.00 4.81 0.63 0.10 114.58 118.95 1pnx h GLU 73 Ca 0.05 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.44 1pnx h GLU 73 Cb 0.56 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 29.91 1pnx h GLU 73 CO 0.03 -0.32 -0.42 0.28 -0.73 0.00 0.00 179.01 177.85 1pnx h VAL 74 N -0.52 0.04 -0.74 0.32 2.07 -1.21 1.16 116.25 117.37 1pnx h VAL 74 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1pnx h VAL 74 Cb 0.38 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.12 1pnx h VAL 74 CO 0.08 0.00 0.37 0.00 0.02 0.00 0.00 177.57 178.04 1pnx h ALA 75 N 1.03 1.03 -0.37 1.67 0.00 -1.26 -0.59 119.26 120.77 1pnx h ALA 75 Ca 0.27 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1pnx h ALA 75 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1pnx h ALA 75 CO -0.87 -0.05 0.17 0.00 0.00 0.00 0.00 179.25 178.50 1pnx h ALA 76 N 1.45 0.45 -0.23 0.00 0.00 0.38 -1.83 119.26 119.48 1pnx h ALA 76 Ca 0.37 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1pnx h ALA 76 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pnx h ALA 76 CO -0.29 -0.20 0.00 0.09 0.00 0.00 0.00 179.25 178.85 1pnx n ASN 77 N -4.95 0.00 -0.33 0.00 3.02 0.14 -2.24 115.26 110.90 1pnx n ASN 77 Ca 0.01 0.96 0.11 0.00 -0.03 0.00 0.00 54.58 55.63 1pnx n ASN 77 Cb 0.10 -0.46 0.22 0.00 -0.61 0.00 0.00 39.78 39.03 1pnx n ASN 77 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1pnx n ILE 78 N -2.24 -0.39 -0.33 2.41 5.41 -0.77 0.14 119.36 123.59 1pnx n ILE 78 Ca 0.00 2.09 0.11 0.00 1.00 0.00 0.00 62.75 65.95 1pnx n ILE 78 Cb 0.00 -3.00 0.32 0.00 -0.71 0.00 0.00 39.64 36.25 1pnx n ILE 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1pnx h LYS 79 N 0.00 0.79 0.31 0.38 3.11 -1.10 -1.73 116.57 118.33 1pnx h LYS 79 Ca 0.52 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.30 1pnx h LYS 79 Cb 0.99 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 1pnx h LYS 79 CO -0.91 0.52 -0.15 -0.09 -2.81 0.00 0.00 179.45 176.01 1pnx h ARG 80 N 0.81 -0.40 0.00 1.90 2.43 0.17 -0.14 114.38 119.15 1pnx h ARG 80 Ca 0.51 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 1pnx h ARG 80 Cb 0.73 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1pnx h ARG 80 CO -0.28 -0.27 0.00 1.47 -1.51 0.00 0.00 179.97 179.38 1pnx n LEU 81 N -3.39 0.00 -0.06 3.80 -0.00 -1.12 0.20 117.00 116.44 1pnx n LEU 81 Ca -0.05 0.27 -0.10 0.00 -0.00 0.00 0.00 56.01 56.13 1pnx n LEU 81 Cb 0.16 -0.27 -0.15 0.00 -0.00 0.00 0.00 43.42 43.17 1pnx n LEU 81 CO 0.12 -0.25 -0.82 0.80 -0.00 0.00 0.00 177.39 177.25 1pnx n MET 82 N -1.27 0.66 0.08 1.47 1.56 -0.66 -3.94 117.12 115.02 1pnx n MET 82 Ca 0.01 0.16 -0.17 0.00 -0.27 0.00 0.00 57.70 57.44 1pnx n MET 82 Cb 0.02 -1.67 -0.09 0.00 2.15 0.00 0.00 33.22 33.63 1pnx n MET 82 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 1pnx h ASP 83 N 0.00 0.64 -3.57 6.12 3.32 0.17 -3.44 116.42 119.67 1pnx h ASP 83 Ca -0.41 -0.56 -0.52 0.00 0.02 0.00 0.00 57.03 55.56 1pnx h ASP 83 Cb 2.11 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 41.43 1pnx h ASP 83 CO 0.05 1.38 0.08 0.27 -1.72 0.00 0.00 179.24 179.30 1pnx s ILE 84 N -3.11 4.63 -0.60 0.35 -4.36 -0.77 -4.88 121.20 112.46 1pnx s ILE 84 Ca -0.07 1.16 0.00 0.00 -0.26 0.00 0.00 60.65 61.48 1pnx s ILE 84 Cb 0.08 -3.80 0.00 0.00 1.25 0.00 0.00 42.46 39.99 1pnx s ILE 84 CO 0.89 0.14 0.12 0.61 0.24 0.00 0.00 174.94 176.94 1pnx n GLY 85 N 0.53 0.00 2.88 6.27 0.00 -1.26 -4.83 105.19 108.78 1pnx n GLY 85 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1pnx n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnx n TYR 87 N -3.27 0.00 -0.34 0.00 9.36 -1.26 -3.17 117.16 118.48 1pnx n TYR 87 Ca -0.01 0.00 0.31 0.00 3.32 0.00 0.00 57.90 61.52 1pnx n TYR 87 Cb 0.44 -0.40 0.65 0.00 -0.63 0.00 0.00 39.34 39.40 1pnx n TYR 87 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1pnx h ARG 88 N -0.56 0.16 -0.01 2.98 2.43 -1.93 0.83 114.38 118.28 1pnx h ARG 88 Ca -0.17 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.78 1pnx h ARG 88 Cb 0.91 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1pnx h ARG 88 CO -0.11 0.10 -0.87 0.78 -1.51 0.00 0.00 179.97 178.36 1pnx h GLY 89 N 0.16 0.32 1.54 2.80 0.00 -1.73 -3.10 103.07 103.06 1pnx h GLY 89 Ca 0.60 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1pnx h GLY 89 CO -0.15 0.49 -0.27 1.41 0.00 0.00 0.00 176.54 178.02 1pnx h LEU 90 N 0.17 0.54 -2.27 3.11 3.38 0.64 -1.77 115.31 119.12 1pnx h LEU 90 Ca -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1pnx h LEU 90 Cb 1.49 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1pnx h LEU 90 CO 0.14 0.80 -0.05 0.03 0.09 0.00 0.00 178.44 179.45 1pnx h ARG 91 N 0.47 0.00 0.03 1.13 2.47 -0.94 0.19 114.38 117.72 1pnx h ARG 91 Ca 0.06 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 1pnx h ARG 91 Cb 0.71 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1pnx h ARG 91 CO 0.05 0.05 -0.28 0.45 0.56 0.00 0.00 179.97 180.80 1pnx h HIS 92 N 0.00 0.24 0.66 3.04 3.86 -1.31 -1.17 115.15 120.47 1pnx h HIS 92 Ca -0.00 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.04 1pnx h HIS 92 Cb 0.16 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1pnx h HIS 92 CO 0.00 1.02 -0.50 0.00 0.86 0.00 0.00 177.93 179.30 1pnx h ARG 93 N -0.61 -1.08 0.00 2.45 3.08 -0.83 -1.19 114.38 116.19 1pnx h ARG 93 Ca -0.04 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1pnx h ARG 93 Cb 1.12 0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1pnx h ARG 93 CO 0.05 -0.72 0.04 0.54 -1.07 0.00 0.00 179.97 178.81 1pnx n ARG 94 N -5.60 0.11 -1.29 0.04 5.12 0.59 -4.83 116.66 110.79 1pnx n ARG 94 Ca -0.14 0.60 -0.09 0.00 -1.93 0.00 0.00 57.85 56.29 1pnx n ARG 94 Cb 0.49 -1.90 -0.04 0.00 -1.16 0.00 0.00 32.46 29.85 1pnx n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pnx n GLY 95 N -1.33 1.08 3.96 -0.13 0.00 -0.45 -5.03 105.19 103.30 1pnx n GLY 95 Ca -0.01 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 1pnx n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnx s LEU 96 N -2.15 4.14 0.31 0.99 1.43 -0.48 -4.47 118.68 118.45 1pnx s LEU 96 Ca 0.00 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1pnx s LEU 96 Cb 0.00 -2.76 -0.13 0.00 0.03 0.00 0.00 46.19 43.33 1pnx s LEU 96 CO 0.00 -0.20 1.29 -0.81 0.23 0.00 0.00 176.35 176.86 1pnx n PRO 97 N -1.47 2.01 -0.02 1.29 -0.04 -1.26 -4.54 135.00 130.98 1pnx n PRO 97 Ca -0.06 0.71 -0.21 0.00 -0.04 0.00 0.00 63.50 63.90 1pnx n PRO 97 Cb 0.58 -2.28 -0.14 0.00 -0.04 0.00 0.00 33.50 31.62 1pnx n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1pnx n VAL 98 N 0.71 1.74 -0.52 0.52 0.31 -1.26 -4.49 118.33 115.33 1pnx n VAL 98 Ca 0.07 -0.58 -0.03 0.00 -0.01 0.00 0.00 64.34 63.78 1pnx n VAL 98 Cb 0.34 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.48 1pnx n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pnx n ARG 99 N -3.58 1.05 -3.64 5.55 1.74 -1.26 -4.79 116.66 111.72 1pnx n ARG 99 Ca -0.33 -0.27 -0.21 0.00 -0.77 0.00 0.00 57.85 56.27 1pnx n ARG 99 Cb 1.00 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 1pnx n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pnx n GLY 100 N 1.97 -1.25 3.80 -0.13 0.00 -1.26 -5.02 105.19 103.29 1pnx n GLY 100 Ca 0.12 0.55 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 1pnx n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pnx s GLN 101 N -4.74 2.21 0.14 1.61 1.11 -1.26 -5.10 119.66 113.62 1pnx s GLN 101 Ca 0.06 -2.21 -0.30 0.00 0.01 0.00 0.00 55.36 52.92 1pnx s GLN 101 Cb -0.03 -1.77 -0.07 0.00 -1.01 0.00 0.00 33.01 30.14 1pnx s GLN 101 CO 0.87 -0.41 0.98 -0.98 0.01 0.00 0.00 175.29 175.76 1pnx s ARG 102 N -4.01 4.71 -0.16 2.91 1.70 -1.26 -4.95 118.95 117.89 1pnx s ARG 102 Ca 0.20 1.50 0.17 0.00 -0.47 0.00 0.00 55.73 57.13 1pnx s ARG 102 Cb 0.01 -3.35 0.42 0.00 -0.57 0.00 0.00 34.95 31.46 1pnx s ARG 102 CO 0.12 0.24 1.30 0.25 -1.08 0.00 0.00 175.30 176.12 1pnx n THR 103 N 2.52 2.12 -0.01 4.99 -2.24 -1.26 -4.44 114.28 115.96 1pnx n THR 103 Ca 0.02 -2.11 -0.03 0.00 -2.27 0.00 0.00 64.05 59.66 1pnx n THR 103 Cb 0.48 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.34 1pnx n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1pnx n ARG 104 N -0.96 0.64 -3.52 -0.78 0.63 -1.26 -4.95 116.66 106.46 1pnx n ARG 104 Ca 0.19 0.18 -0.15 0.00 -0.92 0.00 0.00 57.85 57.15 1pnx n ARG 104 Cb 0.78 -1.74 -0.05 0.00 0.45 0.00 0.00 32.46 31.90 1pnx n ARG 104 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1pnx s THR 105 N -2.79 0.01 -0.39 5.15 -4.23 -1.26 -5.06 115.64 107.08 1pnx s THR 105 Ca -0.05 -0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.23 1pnx s THR 105 Cb 0.08 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.96 1pnx s THR 105 CO 0.82 -0.06 0.48 0.59 -0.54 0.00 0.00 174.62 175.92 1pnx n ASN 106 N 0.42 -7.59 -0.37 3.99 3.02 -1.26 -4.78 115.26 108.70 1pnx n ASN 106 Ca -0.18 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1pnx n ASN 106 Cb 0.60 -5.11 0.00 0.00 -0.61 0.00 0.00 39.78 34.66 1pnx n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pnx n ALA 107 N -0.18 1.65 0.08 5.41 0.00 -1.26 -4.78 120.51 121.43 1pnx n ALA 107 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.56 1pnx n ALA 107 Cb 0.37 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.23 1pnx n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pnx h ARG 108 N 0.00 0.35 0.00 0.00 2.47 -1.93 0.31 114.38 115.58 1pnx h ARG 108 Ca 0.00 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1pnx h ARG 108 Cb 0.90 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1pnx h ARG 108 CO 0.00 0.37 -0.03 0.00 0.56 0.00 0.00 179.97 180.87 1pnx h THR 109 N 0.34 0.14 0.00 2.04 1.03 -1.93 0.19 112.91 114.72 1pnx h THR 109 Ca 0.08 -0.29 -0.08 0.00 -0.01 0.00 0.00 66.41 66.10 1pnx h THR 109 Cb 0.21 1.25 -0.02 0.00 -1.07 0.00 0.00 68.15 68.53 1pnx h THR 109 CO 0.00 0.03 -1.59 -1.14 -0.01 0.00 0.00 175.52 172.81 1pnx n ARG 110 N -3.23 1.22 -0.02 0.00 3.00 -0.53 -4.66 116.66 112.45 1pnx n ARG 110 Ca -0.02 -0.06 -0.16 0.00 -0.00 0.00 0.00 57.85 57.62 1pnx n ARG 110 Cb 0.19 -1.26 -0.14 0.00 0.00 0.00 0.00 32.46 31.24 1pnx n ARG 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1pnx n LYS 111 N -2.11 0.70 0.00 -0.14 5.02 0.99 -4.76 118.16 117.87 1pnx n LYS 111 Ca -0.09 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1pnx n LYS 111 Cb 0.53 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1pnx n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pnx n GLY 112 N 1.84 0.14 3.80 0.72 0.00 0.64 -5.01 105.19 107.33 1pnx n GLY 112 Ca -0.28 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 1pnx n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pnx s PRO 113 N 0.00 3.67 0.44 1.61 0.02 -1.26 -4.66 135.00 134.82 1pnx s PRO 113 Ca 0.00 1.31 -0.25 0.00 0.02 0.00 0.00 61.00 62.07 1pnx s PRO 113 Cb 0.00 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1pnx s PRO 113 CO 0.00 -0.54 1.38 0.54 -0.33 0.00 0.00 177.00 178.05 1pnx n ARG 114 N -1.29 2.15 -2.89 5.54 1.74 -1.26 -4.92 116.66 115.73 1pnx n ARG 114 Ca 0.09 0.76 -0.30 0.00 -0.77 0.00 0.00 57.85 57.64 1pnx n ARG 114 Cb 0.53 -2.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 1pnx n ARG 114 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pnx n LYS 115 N -0.11 3.63 -1.31 5.56 5.02 -1.26 -5.08 118.16 124.61 1pnx n LYS 115 Ca 0.06 -4.83 -0.45 0.00 -2.02 0.00 0.00 58.31 51.07 1pnx n LYS 115 Cb 0.41 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 1pnx n LYS 115 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1pnx n THR 116 N -0.20 1.85 -4.42 -0.18 -1.04 -1.26 -5.02 114.28 104.01 1pnx n THR 116 Ca 0.34 -0.47 -0.22 0.00 -2.04 0.00 0.00 64.05 61.66 1pnx n THR 116 Cb 0.37 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.78 1pnx n THR 116 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pnx s VAL 117 N -0.94 0.66 0.79 12.58 1.01 -1.26 -5.15 120.40 128.09 1pnx s VAL 117 Ca 0.60 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.47 1pnx s VAL 117 Cb -0.87 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.04 1pnx s VAL 117 CO 0.52 0.00 1.09 0.00 0.00 0.00 0.00 175.10 176.71 1pnx s ALA 118 N -3.41 2.18 0.00 5.51 0.00 -1.26 -5.05 121.76 119.74 1pnx s ALA 118 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1pnx s ALA 118 Cb 0.05 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1pnx s ALA 118 CO 0.15 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.56 1pnx n GLY 119 N -1.64 3.23 3.29 0.00 0.00 -1.26 -5.14 105.19 103.67 1pnx n GLY 119 Ca 0.08 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 1pnx n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pnx s LYS 120 N -0.75 2.64 0.00 1.61 2.20 -1.26 -5.06 119.74 119.12 1pnx s LYS 120 Ca 0.00 -1.19 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 1pnx s LYS 120 Cb 0.00 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1pnx s LYS 120 CO 0.00 -0.70 0.00 1.63 -0.36 0.00 0.00 175.35 175.92 1pnx n LYS 121 N 4.84 0.00 -1.52 4.03 4.01 -1.26 -4.60 118.16 123.66 1pnx n LYS 121 Ca -0.12 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.47 1pnx n LYS 121 Cb 0.45 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.81 1pnx n LYS 121 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1pnx n LYS 122 N 0.00 0.25 0.00 1.97 3.00 -1.26 -4.13 118.16 117.99 1pnx n LYS 122 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 1pnx n LYS 122 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 35.03 32.93 1pnx n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pnx n ALA 123 N 11.02 0.00 0.00 3.14 0.00 -1.26 -5.05 120.51 128.36 1pnx n ALA 123 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1pnx n ALA 123 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1pnx n ALA 123 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pnx n PRO 124 N 0.00 0.00 -0.03 0.00 -0.02 -1.26 -4.69 135.00 129.01 1pnx n PRO 124 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1pnx n PRO 124 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.50 1pnx n PRO 124 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1pnx n ARG 125 N 0.00 1.13 0.00 -0.52 -4.01 -1.26 -5.23 116.66 106.77 1pnx n ARG 125 Ca 0.00 -0.16 0.00 0.00 -1.04 0.00 0.00 57.85 56.65 1pnx n ARG 125 Cb 0.00 -1.15 0.00 0.00 -3.04 0.00 0.00 32.46 28.27 1pnx n ARG 125 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22