#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn4 n PRO 5 N 0.00 0.80 -3.75 -0.24 -0.04 -1.25 -3.13 135.00 127.40 1pn4 n PRO 5 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1pn4 n PRO 5 Cb 0.00 -1.00 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 1pn4 n PRO 5 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pn4 s VAL 6 N -2.00 4.78 -0.30 0.52 1.01 -1.26 -1.18 120.40 121.97 1pn4 s VAL 6 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1pn4 s VAL 6 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1pn4 s VAL 6 CO 0.00 0.33 0.39 0.86 0.00 0.00 0.00 175.10 176.68 1pn4 s TRP 7 N 1.39 3.23 -0.25 5.22 -0.00 -0.23 -4.80 118.94 123.50 1pn4 s TRP 7 Ca 0.06 0.27 -0.08 0.00 -0.00 0.00 0.00 56.10 56.35 1pn4 s TRP 7 Cb -0.15 -2.64 -0.03 0.00 -0.00 0.00 0.00 33.47 30.65 1pn4 s TRP 7 CO 0.05 -0.32 0.08 1.03 -0.00 0.00 0.00 176.95 177.79 1pn4 s ARG 8 N 2.09 3.68 0.06 5.86 0.52 -1.26 -1.70 118.95 128.20 1pn4 s ARG 8 Ca 0.15 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1pn4 s ARG 8 Cb -0.16 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 1pn4 s ARG 8 CO 0.11 -0.19 -0.05 -0.59 0.02 0.00 0.00 175.30 174.61 1pn4 s PHE 9 N 1.62 0.62 0.00 -0.53 -0.12 -0.87 -5.05 117.98 113.66 1pn4 s PHE 9 Ca 0.06 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 1pn4 s PHE 9 Cb -0.15 -0.41 0.00 0.00 -0.63 0.00 0.00 43.02 41.83 1pn4 s PHE 9 CO 0.04 -0.26 0.00 -0.40 -0.05 0.00 0.00 175.22 174.55 1pn4 n ASP 10 N 0.35 0.00 -0.08 1.98 5.68 -1.26 -1.79 116.55 121.43 1pn4 n ASP 10 Ca -0.15 -0.57 0.25 0.00 -0.50 0.00 0.00 54.79 53.81 1pn4 n ASP 10 Cb 0.60 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.29 1pn4 n ASP 10 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1pn4 h ASP 11 N 0.00 0.00 -0.41 -1.12 3.04 -1.98 -0.55 116.42 115.40 1pn4 h ASP 11 Ca 0.00 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.66 1pn4 h ASP 11 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1pn4 h ASP 11 CO 0.00 0.00 -0.24 -0.09 -2.04 0.00 0.00 179.24 176.87 1pn4 h ARG 12 N 0.00 0.88 -0.59 4.15 2.43 -1.95 -1.12 114.38 118.18 1pn4 h ARG 12 Ca 0.34 -0.41 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1pn4 h ARG 12 Cb 1.39 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1pn4 h ARG 12 CO -0.00 1.05 -0.02 -0.44 -1.51 0.00 0.00 179.97 179.05 1pn4 h ASP 13 N 0.70 1.04 0.04 -3.80 3.32 -1.47 -2.16 116.42 114.09 1pn4 h ASP 13 Ca 0.08 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1pn4 h ASP 13 Cb 0.82 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1pn4 h ASP 13 CO 0.07 1.10 -0.10 0.58 -1.72 0.00 0.00 179.24 179.17 1pn4 h VAL 14 N 0.95 0.75 -0.03 -1.35 2.07 -1.34 -2.09 116.25 115.21 1pn4 h VAL 14 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1pn4 h VAL 14 Cb 0.58 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1pn4 h VAL 14 CO 0.03 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 178.01 1pn4 h ILE 15 N -0.20 1.30 -0.84 4.57 2.04 -1.16 -0.41 117.51 122.81 1pn4 h ILE 15 Ca 0.02 -0.93 0.18 0.00 1.00 0.00 0.00 64.86 65.13 1pn4 h ILE 15 Cb 0.22 1.87 -0.11 0.00 -0.74 0.00 0.00 36.82 38.06 1pn4 h ILE 15 CO -0.07 0.25 0.36 0.25 0.00 0.00 0.00 178.15 178.94 1pn4 h LEU 16 N -0.31 0.33 -0.06 1.44 5.85 -1.42 0.16 115.31 121.30 1pn4 h LEU 16 Ca 0.01 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1pn4 h LEU 16 Cb 0.41 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1pn4 h LEU 16 CO 0.00 0.08 -0.00 0.22 -0.34 0.00 0.00 178.44 178.39 1pn4 h TYR 17 N 0.45 0.13 -0.48 1.25 3.20 -1.24 -2.66 116.97 117.62 1pn4 h TYR 17 Ca 0.49 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.31 1pn4 h TYR 17 Cb 0.82 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1pn4 h TYR 17 CO -0.15 0.41 0.23 -0.91 -1.64 0.00 0.00 178.16 176.10 1pn4 h ASN 18 N -0.19 0.64 -0.59 -2.11 2.35 -0.09 -2.11 115.58 113.48 1pn4 h ASN 18 Ca 0.02 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1pn4 h ASN 18 Cb 0.36 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1pn4 h ASN 18 CO 0.00 0.60 0.38 0.40 -1.65 0.00 0.00 177.43 177.16 1pn4 h ILE 19 N 0.64 1.11 0.00 2.81 2.04 -0.78 -0.71 117.51 122.63 1pn4 h ILE 19 Ca 0.17 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1pn4 h ILE 19 Cb 0.13 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1pn4 h ILE 19 CO -0.02 0.14 -0.09 0.00 0.00 0.00 0.00 178.15 178.18 1pn4 h ALA 20 N 1.24 1.72 -0.13 1.87 0.00 -1.09 0.75 119.26 123.61 1pn4 h ALA 20 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pn4 h ALA 20 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pn4 h ALA 20 CO -0.07 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1pn4 n LEU 21 N -4.23 1.08 0.00 0.00 4.77 -0.38 -4.90 117.00 113.34 1pn4 n LEU 21 Ca -0.03 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1pn4 n LEU 21 Cb 0.17 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1pn4 n LEU 21 CO 0.33 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1pn4 n GLY 22 N 0.97 1.04 3.75 -0.72 0.00 0.25 -4.65 105.19 105.83 1pn4 n GLY 22 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1pn4 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn4 s ALA 23 N -2.00 3.55 0.40 4.61 0.00 -0.58 -4.99 121.76 122.75 1pn4 s ALA 23 Ca 0.00 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.21 1pn4 s ALA 23 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1pn4 s ALA 23 CO 0.00 -0.62 0.06 0.95 0.00 0.00 0.00 175.76 176.16 1pn4 s THR 24 N -0.28 1.11 -0.20 0.00 -4.23 -1.26 -4.40 115.64 106.38 1pn4 s THR 24 Ca 0.55 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.27 1pn4 s THR 24 Cb -0.39 -2.57 0.21 0.00 1.34 0.00 0.00 72.50 71.09 1pn4 s THR 24 CO 0.44 0.00 1.62 0.35 -0.54 0.00 0.00 174.62 176.49 1pn4 n THR 25 N -0.90 1.03 0.29 3.99 -2.24 -1.26 -1.47 114.28 113.72 1pn4 n THR 25 Ca -0.07 0.73 0.16 0.00 -2.27 0.00 0.00 64.05 62.61 1pn4 n THR 25 Cb 0.66 -1.73 0.88 0.00 -2.10 0.00 0.00 70.33 68.04 1pn4 n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pn4 h LYS 26 N 0.00 0.00 -3.11 -0.78 1.57 -2.00 -3.34 116.57 108.91 1pn4 h LYS 26 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1pn4 h LYS 26 Cb 0.04 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.94 1pn4 h LYS 26 CO 0.00 0.05 -0.67 -0.65 -0.57 0.00 0.00 179.45 177.61 1pn4 s GLN 27 N -4.21 1.81 0.42 3.15 -0.21 -0.54 -4.98 119.66 115.10 1pn4 s GLN 27 Ca -0.03 -2.58 0.22 0.00 0.02 0.00 0.00 55.36 52.99 1pn4 s GLN 27 Cb 0.13 -2.90 0.81 0.00 1.00 0.00 0.00 33.01 32.05 1pn4 s GLN 27 CO 0.53 -1.19 1.78 -0.07 -2.12 0.00 0.00 175.29 174.22 1pn4 h LEU 28 N 6.22 0.00 -2.05 2.90 3.38 -1.75 -2.34 115.31 121.67 1pn4 h LEU 28 Ca 0.03 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1pn4 h LEU 28 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1pn4 h LEU 28 CO 0.61 0.27 0.37 0.07 0.09 0.00 0.00 178.44 179.85 1pn4 h LYS 29 N 0.00 0.00 0.00 1.13 2.10 -1.85 -1.88 116.57 116.07 1pn4 h LYS 29 Ca -0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 1pn4 h LYS 29 Cb 0.81 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.10 1pn4 h LYS 29 CO 0.04 0.00 -2.05 0.66 -2.00 0.00 0.00 179.45 176.09 1pn4 n TYR 30 N -3.68 0.24 -0.22 0.07 4.01 -0.88 -1.42 117.16 115.28 1pn4 n TYR 30 Ca 0.05 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1pn4 n TYR 30 Cb 0.52 -0.89 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 1pn4 n TYR 30 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1pn4 n VAL 31 N -2.65 0.74 -3.60 -0.72 0.24 -1.01 -4.50 118.33 106.83 1pn4 n VAL 31 Ca -0.19 -0.76 -0.18 0.00 -2.04 0.00 0.00 64.34 61.16 1pn4 n VAL 31 Cb 0.92 0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 33.79 1pn4 n VAL 31 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1pn4 s TYR 32 N -0.74 -0.20 -0.01 6.34 5.04 -0.74 -5.02 117.35 122.02 1pn4 s TYR 32 Ca 0.00 0.41 0.32 0.00 -2.44 0.00 0.00 57.07 55.36 1pn4 s TYR 32 Cb 0.00 -0.32 1.26 0.00 0.35 0.00 0.00 41.96 43.25 1pn4 s TYR 32 CO 0.00 -0.42 1.93 1.05 -1.34 0.00 0.00 175.55 176.77 1pn4 h GLU 33 N 8.34 0.00 -0.10 4.97 9.09 -1.93 -2.28 114.58 132.67 1pn4 h GLU 33 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.26 1pn4 h GLU 33 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1pn4 h GLU 33 CO 0.21 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.36 1pn4 n ASN 34 N -2.97 2.53 -4.74 3.06 3.02 -1.26 -4.87 115.26 110.03 1pn4 n ASN 34 Ca 0.01 -1.83 -0.41 0.00 -0.03 0.00 0.00 54.58 52.31 1pn4 n ASN 34 Cb 0.31 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 1pn4 n ASN 34 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pn4 s ASP 35 N -1.86 6.72 0.62 6.41 2.15 -0.86 -4.90 116.67 124.95 1pn4 s ASP 35 Ca 0.33 2.59 0.32 0.00 0.43 0.00 0.00 52.55 56.23 1pn4 s ASP 35 Cb 0.20 -2.62 1.83 0.00 -0.30 0.00 0.00 42.92 42.03 1pn4 s ASP 35 CO 0.31 -0.65 2.15 0.77 -0.17 0.00 0.00 175.17 177.57 1pn4 h SER 36 N 5.11 0.00 -0.39 -0.34 4.64 -1.91 -1.72 113.55 118.93 1pn4 h SER 36 Ca -0.46 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.74 1pn4 h SER 36 Cb 1.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.23 1pn4 h SER 36 CO 0.77 0.00 0.04 -0.67 -0.87 0.00 0.00 176.83 176.10 1pn4 n ASP 37 N -3.53 3.42 -4.67 4.97 2.03 -1.26 -5.04 116.55 112.47 1pn4 n ASP 37 Ca -0.00 -3.38 -0.45 0.00 0.52 0.00 0.00 54.79 51.48 1pn4 n ASP 37 Cb 0.26 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 40.01 1pn4 n ASP 37 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1pn4 n PHE 38 N -0.76 2.17 -3.54 -0.67 7.35 -0.65 -4.73 117.46 116.62 1pn4 n PHE 38 Ca 0.31 0.41 -0.08 0.00 -0.76 0.00 0.00 57.45 57.32 1pn4 n PHE 38 Cb 1.05 -2.47 -0.02 0.00 0.35 0.00 0.00 39.48 38.39 1pn4 n PHE 38 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 1pn4 s GLN 39 N -0.11 0.95 -0.05 -4.13 -2.07 -0.51 -5.00 119.66 108.73 1pn4 s GLN 39 Ca 0.71 -0.39 0.04 0.00 -1.82 0.00 0.00 55.36 53.90 1pn4 s GLN 39 Cb -0.66 0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 31.64 1pn4 s GLN 39 CO 0.47 -0.42 -0.16 0.54 -1.32 0.00 0.00 175.29 174.40 1pn4 s VAL 40 N -3.22 2.87 0.12 3.63 0.11 -1.26 -4.49 120.40 118.15 1pn4 s VAL 40 Ca 0.06 -0.79 -0.31 0.00 -2.93 0.00 0.00 61.98 58.01 1pn4 s VAL 40 Cb -0.01 -2.11 -0.10 0.00 -1.53 0.00 0.00 36.38 32.63 1pn4 s VAL 40 CO -0.07 0.58 1.76 -0.63 -3.33 0.00 0.00 175.10 173.41 1pn4 s ILE 41 N -0.57 2.60 0.54 7.04 1.01 -1.26 -4.85 121.20 125.71 1pn4 s ILE 41 Ca 0.08 0.17 0.38 0.00 0.00 0.00 0.00 60.65 61.28 1pn4 s ILE 41 Cb -0.11 -3.11 0.40 0.00 0.01 0.00 0.00 42.46 39.65 1pn4 s ILE 41 CO 0.01 0.00 2.26 1.55 0.00 0.00 0.00 174.94 178.76 1pn4 h PRO 42 N 8.25 0.00 0.00 2.79 0.13 -1.99 -1.11 132.00 140.07 1pn4 h PRO 42 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pn4 h PRO 42 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pn4 h PRO 42 CO 0.94 0.02 0.00 0.25 -0.23 0.00 0.00 178.00 178.98 1pn4 n THR 43 N -3.29 1.55 -0.34 1.56 -2.24 -1.26 -1.94 114.28 108.31 1pn4 n THR 43 Ca -0.02 0.42 0.22 0.00 -2.27 0.00 0.00 64.05 62.39 1pn4 n THR 43 Cb 0.13 -1.33 0.45 0.00 -2.10 0.00 0.00 70.33 67.48 1pn4 n THR 43 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1pn4 h PHE 44 N 0.00 0.90 0.00 4.78 3.57 -1.56 -2.22 116.94 122.42 1pn4 h PHE 44 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pn4 h PHE 44 Cb 0.10 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1pn4 h PHE 44 CO 0.00 -0.04 0.00 0.41 -2.23 0.00 0.00 178.31 176.45 1pn4 n GLY 45 N -1.34 -0.95 0.23 2.40 0.00 -0.82 -1.38 105.19 103.34 1pn4 n GLY 45 Ca 0.29 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.56 1pn4 n GLY 45 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1pn4 h HIS 46 N 0.00 0.00 0.00 1.61 2.07 -1.65 -3.29 115.15 113.89 1pn4 h HIS 46 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1pn4 h HIS 46 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 1pn4 h HIS 46 CO 0.00 0.20 0.00 1.28 -3.07 0.00 0.00 177.93 176.34 1pn4 n LEU 47 N -3.44 0.00 0.09 6.12 4.77 -0.48 -0.62 117.00 123.44 1pn4 n LEU 47 Ca -0.00 0.40 0.15 0.00 -0.03 0.00 0.00 56.01 56.53 1pn4 n LEU 47 Cb 0.38 -0.40 0.67 0.00 -2.33 0.00 0.00 43.42 41.74 1pn4 n LEU 47 CO 0.32 -0.30 1.14 0.16 -1.33 0.00 0.00 177.39 177.39 1pn4 h ILE 48 N 0.00 0.84 -0.10 -0.08 -0.00 -1.80 -1.94 117.51 114.43 1pn4 h ILE 48 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 64.86 64.89 1pn4 h ILE 48 Cb 0.10 0.83 -0.00 0.00 -0.00 0.00 0.00 36.82 37.74 1pn4 h ILE 48 CO 0.00 0.00 0.27 0.74 -0.00 0.00 0.00 178.15 179.16 1pn4 h THR 49 N 0.01 0.16 0.00 0.16 2.02 -1.17 -3.13 112.91 110.96 1pn4 h THR 49 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1pn4 h THR 49 Cb 0.63 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1pn4 h THR 49 CO -0.00 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.38 1pn4 n PHE 50 N -3.24 0.00 -0.86 3.16 3.72 -0.76 -4.83 117.46 114.65 1pn4 n PHE 50 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1pn4 n PHE 50 Cb 0.35 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.93 1pn4 n PHE 50 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pn4 n ASN 51 N -0.70 1.28 -1.27 4.37 5.03 -1.03 -4.78 115.26 118.16 1pn4 n ASN 51 Ca 0.00 -2.05 0.06 0.00 0.87 0.00 0.00 54.58 53.47 1pn4 n ASN 51 Cb 0.00 -0.15 0.30 0.00 -1.02 0.00 0.00 39.78 38.92 1pn4 n ASN 51 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1pn4 n SER 52 N -0.54 4.41 0.00 6.41 7.64 -1.21 -3.97 113.62 126.36 1pn4 n SER 52 Ca 0.04 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1pn4 n SER 52 Cb 0.49 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1pn4 n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn4 n GLY 53 N -0.21 -1.90 0.28 0.23 0.00 -1.18 -3.83 105.19 98.58 1pn4 n GLY 53 Ca 0.25 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.85 1pn4 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pn4 h LYS 54 N 0.00 0.00 0.00 1.61 1.57 -1.98 -2.70 116.57 115.07 1pn4 h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pn4 h LYS 54 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pn4 h LYS 54 CO 0.00 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 177.78 1pn4 n SER 55 N -4.03 0.00 0.03 0.86 3.41 -1.26 -2.96 113.62 109.66 1pn4 n SER 55 Ca -0.03 -0.19 -0.05 0.00 -0.26 0.00 0.00 58.87 58.34 1pn4 n SER 55 Cb 0.11 -0.11 0.17 0.00 -0.26 0.00 0.00 64.21 64.12 1pn4 n SER 55 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pn4 h GLN 56 N 0.00 0.45 -0.77 4.33 4.20 -1.73 -3.08 115.11 118.50 1pn4 h GLN 56 Ca 0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1pn4 h GLN 56 Cb 0.04 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1pn4 h GLN 56 CO 0.00 0.75 0.01 0.09 -0.67 0.00 0.00 178.83 179.00 1pn4 n ASN 57 N -4.06 3.64 0.30 1.46 3.02 -1.16 -4.41 115.26 114.05 1pn4 n ASN 57 Ca -0.01 -2.53 0.19 0.00 -0.03 0.00 0.00 54.58 52.20 1pn4 n ASN 57 Cb 0.47 -0.61 0.91 0.00 -0.61 0.00 0.00 39.78 39.95 1pn4 n ASN 57 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1pn4 h SER 58 N 2.18 0.00 -0.11 6.41 4.64 -1.73 -2.26 113.55 122.68 1pn4 h SER 58 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 1pn4 h SER 58 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1pn4 h SER 58 CO 0.29 0.02 -0.27 2.19 -0.87 0.00 0.00 176.83 178.19 1pn4 h PHE 59 N 0.00 0.63 -0.64 4.77 -5.15 -1.86 -3.28 116.94 111.41 1pn4 h PHE 59 Ca -0.00 -0.14 0.19 0.00 -0.20 0.00 0.00 57.97 57.81 1pn4 h PHE 59 Cb 0.28 -0.15 -0.03 0.00 0.22 0.00 0.00 35.95 36.27 1pn4 h PHE 59 CO 0.00 0.77 0.54 0.00 -2.00 0.00 0.00 178.31 177.62 1pn4 h ALA 60 N 1.22 2.50 0.00 12.09 0.00 -1.76 -0.85 119.26 132.47 1pn4 h ALA 60 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pn4 h ALA 60 Cb 0.72 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1pn4 h ALA 60 CO 0.06 -0.87 0.00 0.87 0.00 0.00 0.00 179.25 179.31 1pn4 h LYS 61 N 0.00 0.00 0.00 0.00 1.57 -1.76 -2.03 116.57 114.35 1pn4 h LYS 61 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1pn4 h LYS 61 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1pn4 h LYS 61 CO -0.00 0.00 -0.74 1.28 -0.57 0.00 0.00 179.45 179.42 1pn4 n LEU 62 N -2.67 0.64 -4.91 2.94 4.77 -0.32 -4.94 117.00 112.49 1pn4 n LEU 62 Ca -0.00 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.60 1pn4 n LEU 62 Cb 0.18 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1pn4 n LEU 62 CO 0.20 0.12 0.09 -0.76 -1.33 0.00 0.00 177.39 175.71 1pn4 s LEU 63 N -3.31 4.18 0.01 2.23 1.43 -0.77 -4.47 118.68 117.98 1pn4 s LEU 63 Ca 0.08 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1pn4 s LEU 63 Cb 0.16 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 1pn4 s LEU 63 CO 0.76 -0.08 -0.09 -0.13 0.23 0.00 0.00 176.35 177.04 1pn4 s ARG 64 N -3.28 0.70 -1.61 1.70 0.52 0.02 -4.69 118.95 112.31 1pn4 s ARG 64 Ca 0.41 -0.43 -0.14 0.00 -0.52 0.00 0.00 55.73 55.05 1pn4 s ARG 64 Cb -0.11 -0.66 0.11 0.00 0.52 0.00 0.00 34.95 34.81 1pn4 s ARG 64 CO 0.28 0.17 0.75 0.09 0.02 0.00 0.00 175.30 176.61 1pn4 n ASN 65 N 2.55 -2.94 -4.61 0.23 4.13 -1.26 -1.38 115.26 111.96 1pn4 n ASN 65 Ca -0.15 -0.97 -0.43 0.00 1.68 0.00 0.00 54.58 54.71 1pn4 n ASN 65 Cb 0.56 -3.03 -0.02 0.00 -1.54 0.00 0.00 39.78 35.76 1pn4 n ASN 65 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1pn4 s PHE 66 N -3.43 2.91 -0.33 3.10 5.36 -1.26 -4.56 117.98 119.77 1pn4 s PHE 66 Ca 0.57 0.87 -0.11 0.00 -0.96 0.00 0.00 56.93 57.30 1pn4 s PHE 66 Cb -0.31 -4.19 -0.01 0.00 -0.34 0.00 0.00 43.02 38.18 1pn4 s PHE 66 CO 0.90 -1.14 0.18 1.21 -1.46 0.00 0.00 175.22 174.92 1pn4 s ASN 67 N 2.25 5.71 0.47 6.13 3.84 -1.26 -5.01 114.94 127.07 1pn4 s ASN 67 Ca 0.48 -0.54 0.22 0.00 0.21 0.00 0.00 52.86 53.23 1pn4 s ASN 67 Cb -0.09 -2.04 1.18 0.00 -0.55 0.00 0.00 41.25 39.75 1pn4 s ASN 67 CO 0.26 -0.23 1.98 1.55 -2.79 0.00 0.00 177.10 177.88 1pn4 h PRO 68 N 8.40 0.00 -0.98 0.43 0.13 -1.98 -1.75 132.00 136.26 1pn4 h PRO 68 Ca -0.31 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.13 1pn4 h PRO 68 Cb 1.15 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 1pn4 h PRO 68 CO 0.63 0.19 0.49 0.52 -0.23 0.00 0.00 178.00 179.60 1pn4 h MET 69 N 0.00 0.25 -0.65 0.86 2.86 -1.97 -2.12 114.93 114.16 1pn4 h MET 69 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1pn4 h MET 69 Cb 0.46 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1pn4 h MET 69 CO 0.03 0.17 0.00 1.28 1.06 0.00 0.00 176.91 179.44 1pn4 n LEU 70 N -5.12 3.78 -4.77 1.22 4.77 -0.66 -4.72 117.00 111.50 1pn4 n LEU 70 Ca 0.30 -1.90 -0.39 0.00 -0.03 0.00 0.00 56.01 53.99 1pn4 n LEU 70 Cb 0.95 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1pn4 n LEU 70 CO 0.08 0.81 0.53 -0.22 -1.33 0.00 0.00 177.39 177.26 1pn4 s LEU 71 N -1.26 4.61 0.01 2.23 0.20 -0.80 -1.14 118.68 122.52 1pn4 s LEU 71 Ca 0.44 1.73 0.03 0.00 0.69 0.00 0.00 54.13 57.02 1pn4 s LEU 71 Cb 0.25 -3.40 -0.01 0.00 -0.43 0.00 0.00 46.19 42.60 1pn4 s LEU 71 CO 0.27 0.19 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.65 1pn4 s LEU 72 N -1.18 2.08 -0.12 -0.68 1.43 -0.16 -5.01 118.68 115.05 1pn4 s LEU 72 Ca 0.37 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 1pn4 s LEU 72 Cb -0.24 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 1pn4 s LEU 72 CO 0.28 0.06 1.84 -2.28 0.23 0.00 0.00 176.35 176.48 1pn4 s HIS 73 N -0.49 1.66 -0.26 0.29 5.65 -1.26 -0.85 115.29 120.03 1pn4 s HIS 73 Ca 0.02 0.20 -0.12 0.00 0.25 0.00 0.00 55.06 55.41 1pn4 s HIS 73 Cb -0.05 -4.04 -0.15 0.00 -1.18 0.00 0.00 32.58 27.16 1pn4 s HIS 73 CO 0.00 -4.06 -0.21 0.41 -0.65 0.00 0.00 174.74 170.23 1pn4 n GLY 74 N 4.77 -0.50 3.12 1.59 0.00 0.78 -4.69 105.19 110.25 1pn4 n GLY 74 Ca 0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1pn4 n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn4 s GLU 75 N -2.49 0.59 -0.02 1.61 2.02 -0.89 -0.85 118.70 118.68 1pn4 s GLU 75 Ca -0.36 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 1pn4 s GLU 75 Cb 0.12 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.59 1pn4 s GLU 75 CO 0.54 -0.15 0.03 -1.58 0.02 0.00 0.00 175.26 174.12 1pn4 s HIS 76 N -2.52 -0.02 -0.01 1.61 2.46 -0.49 -0.71 115.29 115.61 1pn4 s HIS 76 Ca -0.06 0.11 0.08 0.00 0.47 0.00 0.00 55.06 55.65 1pn4 s HIS 76 Cb -0.02 -0.06 -0.02 0.00 -0.13 0.00 0.00 32.58 32.35 1pn4 s HIS 76 CO -0.04 -0.04 -0.24 -0.47 -2.47 0.00 0.00 174.74 171.48 1pn4 s TYR 77 N 0.37 2.16 -0.11 3.88 5.04 -0.15 -1.32 117.35 127.22 1pn4 s TYR 77 Ca -0.03 -0.41 -0.06 0.00 -2.44 0.00 0.00 57.07 54.14 1pn4 s TYR 77 Cb -0.04 -1.37 0.05 0.00 0.35 0.00 0.00 41.96 40.94 1pn4 s TYR 77 CO -0.01 -0.01 0.26 -1.17 -1.34 0.00 0.00 175.55 173.28 1pn4 s LEU 78 N -0.66 0.40 -0.04 6.97 2.96 -0.22 -1.29 118.68 126.79 1pn4 s LEU 78 Ca 0.09 0.56 0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1pn4 s LEU 78 Cb -0.09 0.81 -0.01 0.00 0.50 0.00 0.00 46.19 47.40 1pn4 s LEU 78 CO -0.00 -0.16 -0.20 -0.75 -1.32 0.00 0.00 176.35 173.92 1pn4 s LYS 79 N 1.20 1.92 -0.42 1.98 2.20 -0.66 -0.70 119.74 125.27 1pn4 s LYS 79 Ca -0.09 -0.70 -0.15 0.00 -0.36 0.00 0.00 55.97 54.68 1pn4 s LYS 79 Cb -0.10 -1.69 0.03 0.00 -1.51 0.00 0.00 37.83 34.56 1pn4 s LYS 79 CO -0.08 0.32 0.31 0.08 -0.36 0.00 0.00 175.35 175.61 1pn4 s VAL 80 N -0.12 5.17 -0.28 4.02 1.01 0.51 -1.66 120.40 129.05 1pn4 s VAL 80 Ca -0.01 -0.76 0.22 0.00 0.00 0.00 0.00 61.98 61.43 1pn4 s VAL 80 Cb -0.11 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.42 1pn4 s VAL 80 CO 0.02 -0.35 1.18 0.45 0.00 0.00 0.00 175.10 176.40 1pn4 h HIS 81 N 8.63 0.00 -3.62 5.22 -0.00 -1.11 -3.44 115.15 120.83 1pn4 h HIS 81 Ca -0.27 0.00 -0.63 0.00 -0.00 0.00 0.00 60.37 59.47 1pn4 h HIS 81 Cb 1.12 0.00 -0.39 0.00 -0.00 0.00 0.00 27.41 28.14 1pn4 h HIS 81 CO 0.57 0.04 -0.77 0.45 -0.00 0.00 0.00 177.93 178.22 1pn4 s SER 82 N -5.62 4.22 -0.03 2.45 0.15 -1.22 -4.92 113.70 108.73 1pn4 s SER 82 Ca 0.01 -1.54 -0.15 0.00 0.70 0.00 0.00 55.95 54.96 1pn4 s SER 82 Cb 0.08 -1.32 -0.05 0.00 -1.71 0.00 0.00 66.02 63.02 1pn4 s SER 82 CO 0.76 -0.29 0.42 0.86 1.20 0.00 0.00 173.24 176.19 1pn4 s TRP 83 N 1.25 3.68 0.60 3.44 -0.11 -1.26 -3.49 118.94 123.04 1pn4 s TRP 83 Ca 0.00 0.96 -0.09 0.00 1.22 0.00 0.00 56.10 58.19 1pn4 s TRP 83 Cb -0.19 -2.35 -0.03 0.00 -1.50 0.00 0.00 33.47 29.41 1pn4 s TRP 83 CO -0.09 0.53 0.97 -1.25 -4.62 0.00 0.00 176.95 172.49 1pn4 s PRO 84 N -0.67 3.45 0.29 5.86 0.04 -1.26 -5.09 135.00 137.62 1pn4 s PRO 84 Ca 0.24 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 1pn4 s PRO 84 Cb -0.16 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 1pn4 s PRO 84 CO 0.12 -0.55 1.59 -1.25 0.04 0.00 0.00 177.00 176.95 1pn4 s PRO 85 N -5.09 4.12 0.20 0.56 0.04 -1.23 -4.90 135.00 128.71 1pn4 s PRO 85 Ca 0.54 2.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.85 1pn4 s PRO 85 Cb -0.11 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 1pn4 s PRO 85 CO 0.51 -0.63 1.29 -1.25 0.04 0.00 0.00 177.00 176.96 1pn4 s PRO 86 N -0.47 4.40 0.14 0.56 0.04 -1.26 -4.64 135.00 133.78 1pn4 s PRO 86 Ca 0.63 2.03 0.25 0.00 0.04 0.00 0.00 61.00 63.95 1pn4 s PRO 86 Cb -0.48 -3.20 0.57 0.00 0.04 0.00 0.00 34.50 31.43 1pn4 s PRO 86 CO 0.48 -0.22 1.52 0.25 0.04 0.00 0.00 177.00 179.07 1pn4 n THR 87 N 2.56 0.41 -3.64 1.26 -2.24 -1.26 -4.88 114.28 106.48 1pn4 n THR 87 Ca 0.06 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1pn4 n THR 87 Cb 0.43 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 1pn4 n THR 87 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pn4 s GLU 88 N -3.12 0.93 0.00 -0.78 -1.05 -1.26 -3.29 118.70 110.12 1pn4 s GLU 88 Ca 0.09 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 1pn4 s GLU 88 Cb 0.13 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1pn4 s GLU 88 CO 0.66 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.97 1pn4 n GLY 89 N 0.65 0.54 3.10 -3.83 0.00 -0.74 -5.00 105.19 99.91 1pn4 n GLY 89 Ca -0.19 -1.74 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 1pn4 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn4 s GLU 90 N -2.00 2.17 -0.13 1.61 2.02 -1.26 -2.04 118.70 119.06 1pn4 s GLU 90 Ca 0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.39 1pn4 s GLU 90 Cb 0.00 -1.72 0.04 0.00 0.10 0.00 0.00 34.13 32.54 1pn4 s GLU 90 CO 0.00 0.09 -0.03 0.42 0.02 0.00 0.00 175.26 175.76 1pn4 s ILE 91 N 0.52 0.79 -0.15 -1.63 1.01 -0.69 -1.14 121.20 119.91 1pn4 s ILE 91 Ca -0.16 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 1pn4 s ILE 91 Cb -0.16 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1pn4 s ILE 91 CO 0.05 0.18 0.54 -0.75 0.00 0.00 0.00 174.94 174.97 1pn4 s LYS 92 N 1.78 4.28 -0.06 2.79 2.20 -0.09 -1.06 119.74 129.58 1pn4 s LYS 92 Ca 0.03 0.51 0.03 0.00 -0.36 0.00 0.00 55.97 56.18 1pn4 s LYS 92 Cb -0.14 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1pn4 s LYS 92 CO -0.07 -0.03 -0.14 0.99 -0.36 0.00 0.00 175.35 175.74 1pn4 s THR 93 N 1.22 3.06 -0.15 3.43 2.01 -0.32 -1.10 115.64 123.78 1pn4 s THR 93 Ca 0.27 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 1pn4 s THR 93 Cb -0.16 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1pn4 s THR 93 CO 0.11 0.59 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.65 1pn4 s THR 94 N -0.63 3.41 -0.11 -0.82 2.01 0.37 -4.88 115.64 114.99 1pn4 s THR 94 Ca 0.09 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 1pn4 s THR 94 Cb -0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1pn4 s THR 94 CO 0.01 0.50 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.08 1pn4 s PHE 95 N 0.44 3.14 0.06 4.92 0.40 -1.26 -0.75 117.98 124.92 1pn4 s PHE 95 Ca -0.07 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.37 1pn4 s PHE 95 Cb -0.15 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1pn4 s PHE 95 CO 0.04 0.33 -0.11 -1.83 0.70 0.00 0.00 175.22 174.35 1pn4 s GLU 96 N -0.50 0.69 0.40 0.44 -1.05 -0.41 -4.96 118.70 113.31 1pn4 s GLU 96 Ca 0.09 -0.89 -0.24 0.00 -0.15 0.00 0.00 54.97 53.77 1pn4 s GLU 96 Cb -0.12 -0.54 -0.09 0.00 -0.44 0.00 0.00 34.13 32.94 1pn4 s GLU 96 CO 0.02 0.11 1.06 -1.25 0.95 0.00 0.00 175.26 176.15 1pn4 s PRO 97 N -1.81 4.16 -0.13 -4.83 0.04 -1.26 -1.09 135.00 130.08 1pn4 s PRO 97 Ca -0.05 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1pn4 s PRO 97 Cb -0.09 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.81 1pn4 s PRO 97 CO 0.01 -0.15 -0.12 -0.89 0.04 0.00 0.00 177.00 175.89 1pn4 n ILE 98 N -0.04 0.73 -3.58 0.56 5.41 -0.12 -4.52 119.36 117.80 1pn4 n ILE 98 Ca 0.05 -0.27 -0.10 0.00 1.00 0.00 0.00 62.75 63.43 1pn4 n ILE 98 Cb 0.49 -1.01 -0.05 0.00 -0.71 0.00 0.00 39.64 38.36 1pn4 n ILE 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pn4 s ALA 99 N -2.25 -1.94 -0.03 -1.39 0.00 -1.06 -1.30 121.76 113.79 1pn4 s ALA 99 Ca -0.17 1.61 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1pn4 s ALA 99 Cb 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1pn4 s ALA 99 CO 0.29 -0.30 -0.11 0.95 0.00 0.00 0.00 175.76 176.59 1pn4 s THR 100 N -1.08 0.92 -0.08 0.00 -4.23 -0.79 -0.33 115.64 110.05 1pn4 s THR 100 Ca -0.01 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1pn4 s THR 100 Cb -0.01 -0.81 0.04 0.00 1.34 0.00 0.00 72.50 73.07 1pn4 s THR 100 CO 0.01 0.28 0.13 -0.89 -0.54 0.00 0.00 174.62 173.61 1pn4 s THR 101 N 0.11 -0.21 0.34 3.99 2.01 0.47 -1.34 115.64 121.00 1pn4 s THR 101 Ca -0.02 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 1pn4 s THR 101 Cb -0.09 -0.28 -0.10 0.00 0.01 0.00 0.00 72.50 72.04 1pn4 s THR 101 CO 0.01 0.12 1.37 -2.84 -0.69 0.00 0.00 174.62 172.59 1pn4 s PRO 102 N 2.25 4.28 -0.38 4.92 0.02 -1.26 -0.68 135.00 144.15 1pn4 s PRO 102 Ca 0.04 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.39 1pn4 s PRO 102 Cb -0.12 -3.04 0.14 0.00 0.02 0.00 0.00 34.50 31.50 1pn4 s PRO 102 CO -0.05 -0.30 0.22 0.15 -0.33 0.00 0.00 177.00 176.69 1pn4 s LYS 103 N -1.85 0.81 7.36 5.54 -0.14 -0.47 -4.87 119.74 126.13 1pn4 s LYS 103 Ca 0.50 -1.58 0.00 0.00 -1.36 0.00 0.00 55.97 53.54 1pn4 s LYS 103 Cb -0.42 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 1pn4 s LYS 103 CO 0.56 -1.20 0.00 0.41 -0.76 0.00 0.00 175.35 174.36 1pn4 n GLY 104 N 3.85 2.71 0.11 -3.33 0.00 -1.26 -1.72 105.19 105.54 1pn4 n GLY 104 Ca 0.11 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1pn4 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pn4 n THR 105 N 0.00 0.63 -2.09 2.61 -2.24 -1.26 -4.87 114.28 107.05 1pn4 n THR 105 Ca 0.00 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 1pn4 n THR 105 Cb 0.00 -0.69 0.09 0.00 -2.10 0.00 0.00 70.33 67.63 1pn4 n THR 105 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pn4 s ASN 106 N -4.44 4.50 -0.02 3.42 0.01 -0.70 -1.96 114.94 115.75 1pn4 s ASN 106 Ca 0.09 0.49 0.01 0.00 -0.71 0.00 0.00 52.86 52.75 1pn4 s ASN 106 Cb 0.12 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.77 1pn4 s ASN 106 CO 0.56 -1.84 -0.05 -0.69 -1.51 0.00 0.00 177.10 173.57 1pn4 s VAL 107 N -3.42 0.43 -0.29 1.60 1.01 -0.43 -1.37 120.40 117.94 1pn4 s VAL 107 Ca 0.63 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1pn4 s VAL 107 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1pn4 s VAL 107 CO 0.47 0.15 0.08 -0.69 0.00 0.00 0.00 175.10 175.11 1pn4 s VAL 108 N 0.22 4.06 -0.05 2.92 1.01 0.14 -0.93 120.40 127.77 1pn4 s VAL 108 Ca -0.02 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1pn4 s VAL 108 Cb -0.06 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1pn4 s VAL 108 CO -0.00 0.12 -0.21 -0.51 0.00 0.00 0.00 175.10 174.50 1pn4 s ILE 109 N 1.53 2.45 -0.20 2.22 2.07 -0.25 -0.40 121.20 128.63 1pn4 s ILE 109 Ca 0.03 -0.94 -0.02 0.00 -1.41 0.00 0.00 60.65 58.31 1pn4 s ILE 109 Cb -0.17 -1.92 -0.00 0.00 0.13 0.00 0.00 42.46 40.50 1pn4 s ILE 109 CO 0.03 0.58 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.85 1pn4 s VAL 110 N -0.43 3.00 -0.20 4.00 1.01 0.56 -0.15 120.40 128.19 1pn4 s VAL 110 Ca 0.05 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1pn4 s VAL 110 Cb -0.12 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1pn4 s VAL 110 CO 0.01 0.47 -0.16 -2.28 0.00 0.00 0.00 175.10 173.14 1pn4 s HIS 111 N 1.27 2.73 0.35 5.22 2.46 0.10 -0.94 115.29 126.48 1pn4 s HIS 111 Ca 0.03 -1.72 0.03 0.00 0.47 0.00 0.00 55.06 53.87 1pn4 s HIS 111 Cb -0.14 -1.83 -0.02 0.00 -0.13 0.00 0.00 32.58 30.46 1pn4 s HIS 111 CO -0.04 -0.79 0.53 0.20 -2.47 0.00 0.00 174.74 172.16 1pn4 s GLY 112 N 1.30 1.47 -0.01 1.59 0.00 -0.25 -0.78 107.32 110.63 1pn4 s GLY 112 Ca 0.01 -1.19 -0.28 0.00 0.00 0.00 0.00 44.72 43.26 1pn4 s GLY 112 CO -0.10 -1.10 0.82 -1.35 0.00 0.00 0.00 173.10 171.36 1pn4 s SER 113 N -4.12 -0.46 0.00 1.64 1.04 -0.64 -1.29 113.70 109.87 1pn4 s SER 113 Ca 0.43 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1pn4 s SER 113 Cb -0.10 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 1pn4 s SER 113 CO 0.34 -0.63 -0.01 -0.54 0.98 0.00 0.00 173.24 173.37 1pn4 s LYS 114 N -2.50 0.12 -0.16 4.02 1.02 0.07 -2.15 119.74 120.16 1pn4 s LYS 114 Ca 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 55.97 55.87 1pn4 s LYS 114 Cb -0.01 -0.08 0.05 0.00 -0.52 0.00 0.00 37.83 37.27 1pn4 s LYS 114 CO -0.04 0.02 0.04 -1.12 -0.92 0.00 0.00 175.35 173.33 1pn4 s SER 115 N -0.14 2.46 0.23 2.83 0.01 -0.08 -0.48 113.70 118.53 1pn4 s SER 115 Ca -0.01 -0.60 0.09 0.00 1.31 0.00 0.00 55.95 56.75 1pn4 s SER 115 Cb -0.01 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 1pn4 s SER 115 CO -0.00 -0.29 -0.05 0.68 0.41 0.00 0.00 173.24 173.99 1pn4 s VAL 116 N 1.94 3.31 0.11 3.43 -7.23 -0.26 -1.61 120.40 120.09 1pn4 s VAL 116 Ca 0.01 -1.81 -0.31 0.00 -1.81 0.00 0.00 61.98 58.07 1pn4 s VAL 116 Cb -0.16 -2.71 -0.10 0.00 0.56 0.00 0.00 36.38 33.98 1pn4 s VAL 116 CO -0.07 -0.25 1.73 -0.62 -0.31 0.00 0.00 175.10 175.58 1pn4 s ASP 117 N -3.28 6.50 0.58 4.85 2.15 0.32 -0.91 116.67 126.89 1pn4 s ASP 117 Ca 0.28 2.65 0.37 0.00 0.43 0.00 0.00 52.55 56.28 1pn4 s ASP 117 Cb -0.07 -2.57 1.69 0.00 -0.30 0.00 0.00 42.92 41.67 1pn4 s ASP 117 CO 0.18 -0.94 2.11 -1.13 -0.17 0.00 0.00 175.17 175.21 1pn4 h ASN 118 N 8.23 0.00 0.02 -0.34 -1.24 -1.47 0.85 115.58 121.63 1pn4 h ASN 118 Ca -0.44 0.00 -0.39 0.00 0.71 0.00 0.00 56.30 56.18 1pn4 h ASN 118 Cb 1.21 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.20 1pn4 h ASN 118 CO 0.94 0.01 -2.25 1.17 -1.29 0.00 0.00 177.43 176.01 1pn4 n LYS 119 N -3.13 0.64 0.00 6.67 3.00 -1.26 -4.74 118.16 119.35 1pn4 n LYS 119 Ca -0.01 0.26 -0.09 0.00 -0.00 0.00 0.00 58.31 58.47 1pn4 n LYS 119 Cb 0.23 -1.58 -0.14 0.00 0.00 0.00 0.00 35.03 33.55 1pn4 n LYS 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1pn4 h SER 120 N -0.39 0.03 0.00 3.14 4.64 -1.93 -3.48 113.55 115.57 1pn4 h SER 120 Ca -0.56 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1pn4 h SER 120 Cb 1.77 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 1pn4 h SER 120 CO -0.16 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 1pn4 n GLY 121 N 1.53 1.36 3.73 -0.77 0.00 0.29 -4.99 105.19 106.33 1pn4 n GLY 121 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1pn4 n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pn4 s GLU 122 N -0.30 4.18 -0.13 1.61 2.12 -1.26 -4.57 118.70 120.35 1pn4 s GLU 122 Ca 0.00 2.46 -0.29 0.00 0.36 0.00 0.00 54.97 57.50 1pn4 s GLU 122 Cb 0.00 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 1pn4 s GLU 122 CO 0.00 -0.63 1.54 -1.17 -0.54 0.00 0.00 175.26 174.46 1pn4 s LEU 123 N 0.67 4.17 -0.21 2.70 2.96 -1.26 -0.52 118.68 127.19 1pn4 s LEU 123 Ca 0.69 1.93 -0.15 0.00 -0.22 0.00 0.00 54.13 56.38 1pn4 s LEU 123 Cb -0.46 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.61 1pn4 s LEU 123 CO 0.36 -0.97 -0.33 -0.38 -1.32 0.00 0.00 176.35 173.72 1pn4 n ILE 124 N 5.69 1.44 -4.33 6.68 2.08 -0.63 -3.76 119.36 126.52 1pn4 n ILE 124 Ca 0.17 -0.11 -0.18 0.00 0.56 0.00 0.00 62.75 63.18 1pn4 n ILE 124 Cb 0.44 -2.05 -0.14 0.00 -0.75 0.00 0.00 39.64 37.13 1pn4 n ILE 124 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1pn4 s TYR 125 N -2.64 0.80 0.07 1.39 2.02 -0.89 -0.62 117.35 117.48 1pn4 s TYR 125 Ca -0.31 -0.19 0.08 0.00 -0.37 0.00 0.00 57.07 56.28 1pn4 s TYR 125 Cb 0.09 -0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 41.10 1pn4 s TYR 125 CO 0.42 -0.01 -0.18 -1.12 -1.57 0.00 0.00 175.55 173.09 1pn4 s SER 126 N -0.37 3.81 0.01 2.29 0.01 -0.67 -0.90 113.70 117.88 1pn4 s SER 126 Ca 0.02 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1pn4 s SER 126 Cb -0.04 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1pn4 s SER 126 CO -0.00 0.23 -0.03 0.20 0.41 0.00 0.00 173.24 174.04 1pn4 s ASN 127 N -1.69 0.33 -0.18 2.44 0.01 -0.91 -1.65 114.94 113.29 1pn4 s ASN 127 Ca 0.16 -0.25 -0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1pn4 s ASN 127 Cb -0.10 0.02 0.05 0.00 0.41 0.00 0.00 41.25 41.63 1pn4 s ASN 127 CO 0.07 -0.11 -0.00 -1.61 -1.51 0.00 0.00 177.10 173.94 1pn4 s GLU 128 N -0.70 0.99 -0.20 -0.60 2.02 -0.41 -1.62 118.70 118.18 1pn4 s GLU 128 Ca -0.06 -0.48 -0.09 0.00 0.02 0.00 0.00 54.97 54.36 1pn4 s GLU 128 Cb -0.05 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 1pn4 s GLU 128 CO -0.00 -0.55 0.11 0.00 0.02 0.00 0.00 175.26 174.84 1pn4 s ALA 129 N 1.74 3.60 -0.23 5.21 0.00 0.04 -0.97 121.76 131.14 1pn4 s ALA 129 Ca -0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 1pn4 s ALA 129 Cb -0.16 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 1pn4 s ALA 129 CO -0.07 0.14 0.04 0.99 0.00 0.00 0.00 175.76 176.85 1pn4 s THR 130 N 0.41 4.13 -0.20 0.00 2.01 0.11 0.01 115.64 122.12 1pn4 s THR 130 Ca 0.06 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 1pn4 s THR 130 Cb -0.12 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1pn4 s THR 130 CO -0.01 0.38 0.04 -0.31 -0.69 0.00 0.00 174.62 174.03 1pn4 s TYR 131 N 1.34 3.14 -0.37 4.92 2.02 0.79 -0.16 117.35 129.04 1pn4 s TYR 131 Ca 0.05 -0.17 -0.13 0.00 -0.37 0.00 0.00 57.07 56.45 1pn4 s TYR 131 Cb -0.15 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1pn4 s TYR 131 CO 0.02 -0.05 0.25 0.12 -1.57 0.00 0.00 175.55 174.32 1pn4 s PHE 132 N 0.74 3.23 -0.19 2.71 2.19 -0.03 -1.09 117.98 125.54 1pn4 s PHE 132 Ca 0.02 -0.46 -0.00 0.00 0.33 0.00 0.00 56.93 56.82 1pn4 s PHE 132 Cb -0.14 -2.50 0.01 0.00 -1.31 0.00 0.00 43.02 39.09 1pn4 s PHE 132 CO 0.02 -0.48 -0.16 0.42 1.83 0.00 0.00 175.22 176.85 1pn4 s ILE 133 N 1.68 2.40 0.43 3.12 1.01 -0.11 -0.98 121.20 128.74 1pn4 s ILE 133 Ca 0.05 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.65 1pn4 s ILE 133 Cb -0.18 -2.04 -0.11 0.00 0.01 0.00 0.00 42.46 40.14 1pn4 s ILE 133 CO 0.09 0.50 0.94 -0.13 0.00 0.00 0.00 174.94 176.34 1pn4 s ARG 134 N 1.33 4.22 -1.31 2.79 0.52 -0.29 -1.31 118.95 124.90 1pn4 s ARG 134 Ca 0.05 1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 56.28 1pn4 s ARG 134 Cb -0.13 -2.19 -0.00 0.00 0.52 0.00 0.00 34.95 33.14 1pn4 s ARG 134 CO -0.10 -0.02 0.57 0.09 0.02 0.00 0.00 175.30 175.85 1pn4 n ASN 135 N -0.63 -2.04 -3.81 0.23 3.02 -1.23 -4.81 115.26 105.98 1pn4 n ASN 135 Ca 0.07 -1.00 -0.12 0.00 -0.03 0.00 0.00 54.58 53.49 1pn4 n ASN 135 Cb 0.54 -3.21 -0.11 0.00 -0.61 0.00 0.00 39.78 36.39 1pn4 n ASN 135 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pn4 s GLN 137 N -0.41 1.46 0.12 0.00 1.11 -0.48 -3.92 119.66 117.54 1pn4 s GLN 137 Ca -0.05 -1.59 -0.25 0.00 0.01 0.00 0.00 55.36 53.48 1pn4 s GLN 137 Cb -0.03 -1.52 0.08 0.00 -1.01 0.00 0.00 33.01 30.52 1pn4 s GLN 137 CO 0.01 0.30 0.72 0.00 0.01 0.00 0.00 175.29 176.32 1pn4 s ALA 138 N -2.33 -1.64 0.73 6.09 0.00 -1.26 -0.80 121.76 122.55 1pn4 s ALA 138 Ca 0.23 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 1pn4 s ALA 138 Cb -0.05 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1pn4 s ALA 138 CO 0.10 -0.78 1.10 -0.51 0.00 0.00 0.00 175.76 175.67 1pn4 s ASP 139 N -2.69 4.72 -0.83 0.00 1.01 -1.26 -4.53 116.67 113.08 1pn4 s ASP 139 Ca 0.04 1.92 -0.20 0.00 0.71 0.00 0.00 52.55 55.01 1pn4 s ASP 139 Cb -0.01 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.49 1pn4 s ASP 139 CO -0.09 -1.89 1.07 0.21 0.21 0.00 0.00 175.17 174.68 1pn4 s ASN 140 N -3.00 6.46 0.07 0.27 3.84 -1.26 -4.04 114.94 117.28 1pn4 s ASN 140 Ca 0.64 -1.65 0.03 0.00 0.21 0.00 0.00 52.86 52.08 1pn4 s ASN 140 Cb -0.19 -2.41 -0.03 0.00 -0.55 0.00 0.00 41.25 38.07 1pn4 s ASN 140 CO 0.50 -1.21 -0.09 -0.54 -2.79 0.00 0.00 177.10 172.97 1pn4 s LYS 141 N 3.24 0.70 -0.20 0.43 1.02 -0.45 -5.02 119.74 119.46 1pn4 s LYS 141 Ca 0.29 -0.99 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 1pn4 s LYS 141 Cb -0.09 -0.41 0.06 0.00 -0.52 0.00 0.00 37.83 36.86 1pn4 s LYS 141 CO -0.03 0.06 0.00 0.08 -0.92 0.00 0.00 175.35 174.55 1pn4 s VAL 142 N -2.02 0.84 -0.20 3.17 1.01 -1.26 -1.88 120.40 120.06 1pn4 s VAL 142 Ca -0.01 -0.72 0.22 0.00 0.00 0.00 0.00 61.98 61.47 1pn4 s VAL 142 Cb -0.06 -1.24 -0.25 0.00 0.00 0.00 0.00 36.38 34.83 1pn4 s VAL 142 CO -0.00 -0.14 0.67 -1.22 0.00 0.00 0.00 175.10 174.41 1pn4 n TYR 143 N 4.94 0.20 -3.69 5.22 4.02 -0.42 -5.00 117.16 122.42 1pn4 n TYR 143 Ca -0.10 0.06 -0.14 0.00 -0.01 0.00 0.00 57.90 57.71 1pn4 n TYR 143 Cb 0.46 -0.54 -0.09 0.00 -0.02 0.00 0.00 39.34 39.16 1pn4 n TYR 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pn4 s ALA 144 N -3.42 -1.14 0.71 -0.72 0.00 -1.12 -4.97 121.76 111.09 1pn4 s ALA 144 Ca -0.04 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1pn4 s ALA 144 Cb 0.13 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1pn4 s ALA 144 CO 0.87 -0.26 1.22 -0.51 0.00 0.00 0.00 175.76 177.08 1pn4 s ASP 145 N -0.56 4.31 -0.01 0.00 1.01 -1.26 -4.91 116.67 115.25 1pn4 s ASP 145 Ca -0.07 2.39 0.06 0.00 0.71 0.00 0.00 52.55 55.65 1pn4 s ASP 145 Cb -0.03 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1pn4 s ASP 145 CO 0.04 -2.19 -0.20 -0.13 0.21 0.00 0.00 175.17 172.90 1pn4 s ARG 146 N -3.80 1.59 0.48 8.23 1.81 -1.26 -5.11 118.95 120.89 1pn4 s ARG 146 Ca 0.76 -0.72 -0.23 0.00 -1.72 0.00 0.00 55.73 53.82 1pn4 s ARG 146 Cb -0.30 -1.55 -0.07 0.00 -0.45 0.00 0.00 34.95 32.58 1pn4 s ARG 146 CO 0.44 0.42 1.22 -1.25 -0.68 0.00 0.00 175.30 175.45 1pn4 s PRO 147 N -0.51 3.59 0.41 3.54 0.04 -1.26 -4.93 135.00 135.88 1pn4 s PRO 147 Ca 0.08 1.91 0.16 0.00 0.04 0.00 0.00 61.00 63.18 1pn4 s PRO 147 Cb -0.08 -2.37 1.04 0.00 0.04 0.00 0.00 34.50 33.13 1pn4 s PRO 147 CO -0.01 -0.73 1.88 0.00 0.04 0.00 0.00 177.00 178.18 1pn4 h ALA 148 N 1.89 2.13 -0.30 8.56 0.00 -2.00 -2.24 119.26 127.31 1pn4 h ALA 148 Ca -0.50 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1pn4 h ALA 148 Cb 1.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1pn4 h ALA 148 CO 0.59 -0.38 -0.11 0.35 0.00 0.00 0.00 179.25 179.71 1pn4 h PHE 149 N 0.45 0.52 0.00 0.00 3.04 -1.96 0.12 116.94 119.11 1pn4 h PHE 149 Ca 0.44 -0.07 -0.05 0.00 3.98 0.00 0.00 57.97 62.26 1pn4 h PHE 149 Cb 1.01 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 1pn4 h PHE 149 CO -0.00 0.59 -0.26 0.00 -2.02 0.00 0.00 178.31 176.62 1pn4 h ALA 150 N 1.43 1.03 0.00 2.41 0.00 -1.78 -3.31 119.26 119.05 1pn4 h ALA 150 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pn4 h ALA 150 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pn4 h ALA 150 CO 0.03 0.32 -0.53 0.25 0.00 0.00 0.00 179.25 179.32 1pn4 n THR 151 N -3.44 0.00 -1.83 0.00 -2.24 -0.87 -4.92 114.28 100.98 1pn4 n THR 151 Ca -0.00 -0.24 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 1pn4 n THR 151 Cb 0.44 0.99 0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1pn4 n THR 151 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pn4 s ASN 152 N -2.04 5.62 0.15 3.42 0.01 0.38 -4.94 114.94 117.53 1pn4 s ASN 152 Ca 0.04 2.80 -0.10 0.00 -0.71 0.00 0.00 52.86 54.89 1pn4 s ASN 152 Cb 0.08 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 1pn4 s ASN 152 CO 0.45 -1.33 1.45 1.56 -1.51 0.00 0.00 177.10 177.72 1pn4 h GLN 153 N 1.92 0.84 -6.53 -0.60 1.08 -1.90 -3.46 115.11 106.46 1pn4 h GLN 153 Ca -0.51 -0.50 -0.51 0.00 -1.45 0.00 0.00 58.65 55.69 1pn4 h GLN 153 Cb 1.28 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1pn4 h GLN 153 CO 0.59 1.13 -0.94 1.19 -0.95 0.00 0.00 178.83 179.85 1pn4 n PHE 154 N -4.02 -1.66 -2.14 2.96 3.72 -1.26 -4.21 117.46 110.85 1pn4 n PHE 154 Ca -0.03 0.46 -0.41 0.00 -0.05 0.00 0.00 57.45 57.42 1pn4 n PHE 154 Cb 0.59 -3.33 -0.03 0.00 -0.94 0.00 0.00 39.48 35.78 1pn4 n PHE 154 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1pn4 s LEU 155 N -6.92 4.42 0.10 4.37 1.43 -1.26 -3.89 118.68 116.93 1pn4 s LEU 155 Ca 0.31 2.56 -0.31 0.00 -1.03 0.00 0.00 54.13 55.65 1pn4 s LEU 155 Cb -0.13 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 1pn4 s LEU 155 CO 0.91 -0.56 1.89 0.00 0.23 0.00 0.00 176.35 178.82 1pn4 s ALA 156 N -0.36 3.71 0.85 4.21 0.00 -1.26 -4.96 121.76 123.94 1pn4 s ALA 156 Ca 0.54 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.81 1pn4 s ALA 156 Cb -0.39 -3.80 0.11 0.00 0.00 0.00 0.00 23.12 19.04 1pn4 s ALA 156 CO 0.44 -1.35 1.17 -1.25 0.00 0.00 0.00 175.76 174.76 1pn4 s PRO 157 N 3.34 1.44 0.32 0.00 0.04 -1.26 -4.91 135.00 133.98 1pn4 s PRO 157 Ca 0.84 1.60 0.16 0.00 0.04 0.00 0.00 61.00 63.64 1pn4 s PRO 157 Cb -0.45 -1.77 0.45 0.00 0.04 0.00 0.00 34.50 32.77 1pn4 s PRO 157 CO 0.38 -2.33 1.63 0.87 0.04 0.00 0.00 177.00 177.59 1pn4 h LYS 158 N -1.33 0.00 -7.20 4.56 1.79 -2.06 -3.46 116.57 108.87 1pn4 h LYS 158 Ca -0.45 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.55 1pn4 h LYS 158 Cb 1.28 0.00 0.21 0.00 -1.58 0.00 0.00 32.23 32.13 1pn4 h LYS 158 CO 0.45 0.49 0.11 -0.98 -1.08 0.00 0.00 179.45 178.44 1pn4 s ARG 159 N -3.44 -0.01 0.48 3.15 1.70 -1.26 -4.96 118.95 114.62 1pn4 s ARG 159 Ca 0.00 1.20 -0.23 0.00 -0.47 0.00 0.00 55.73 56.24 1pn4 s ARG 159 Cb 0.11 -1.63 -0.08 0.00 -0.57 0.00 0.00 34.95 32.77 1pn4 s ARG 159 CO 0.72 -3.22 1.07 0.00 -1.08 0.00 0.00 175.30 172.78 1pn4 n ALA 160 N -4.61 0.49 -1.76 7.88 0.00 -1.26 -4.94 120.51 116.31 1pn4 n ALA 160 Ca 0.07 0.16 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 1pn4 n ALA 160 Cb 0.53 -2.14 0.03 0.00 0.00 0.00 0.00 19.45 17.86 1pn4 n ALA 160 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pn4 s PRO 161 N -2.32 3.27 0.23 0.00 0.04 -1.26 -4.93 135.00 130.02 1pn4 s PRO 161 Ca 0.67 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.84 1pn4 s PRO 161 Cb -0.49 -2.23 0.12 0.00 0.04 0.00 0.00 34.50 31.93 1pn4 s PRO 161 CO 0.54 -1.02 1.46 -0.44 0.04 0.00 0.00 177.00 177.58 1pn4 h ASP 162 N 1.50 0.00 -4.26 6.66 3.32 -1.47 -3.46 116.42 118.71 1pn4 h ASP 162 Ca -0.50 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.36 1pn4 h ASP 162 Cb 1.29 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.59 1pn4 h ASP 162 CO 0.58 0.72 -0.62 -0.47 -1.72 0.00 0.00 179.24 177.73 1pn4 s TYR 163 N -3.12 0.01 -0.11 4.55 5.04 -0.85 -5.02 117.35 117.86 1pn4 s TYR 163 Ca 0.01 -0.02 -0.05 0.00 -2.44 0.00 0.00 57.07 54.57 1pn4 s TYR 163 Cb 0.10 -0.03 0.05 0.00 0.35 0.00 0.00 41.96 42.43 1pn4 s TYR 163 CO 0.77 -0.12 0.25 -1.14 -1.34 0.00 0.00 175.55 173.97 1pn4 s GLN 164 N -0.56 0.20 -0.12 4.97 0.74 -1.26 -0.78 119.66 122.85 1pn4 s GLN 164 Ca -0.06 0.53 -0.14 0.00 0.05 0.00 0.00 55.36 55.73 1pn4 s GLN 164 Cb -0.04 -0.12 0.04 0.00 1.10 0.00 0.00 33.01 33.98 1pn4 s GLN 164 CO 0.00 -0.16 0.38 0.54 -0.55 0.00 0.00 175.29 175.50 1pn4 s VAL 165 N 1.27 0.01 -0.13 1.34 0.11 -0.64 -5.01 120.40 117.35 1pn4 s VAL 165 Ca -0.09 -0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 58.76 1pn4 s VAL 165 Cb -0.10 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1pn4 s VAL 165 CO -0.09 -0.06 0.19 -1.81 -3.33 0.00 0.00 175.10 170.01 1pn4 s ASP 166 N -0.17 6.40 -0.32 3.54 1.01 -1.26 -0.10 116.67 125.76 1pn4 s ASP 166 Ca -0.03 0.48 0.03 0.00 0.71 0.00 0.00 52.55 53.73 1pn4 s ASP 166 Cb -0.03 -2.11 0.10 0.00 1.01 0.00 0.00 42.92 41.89 1pn4 s ASP 166 CO 0.02 0.31 0.05 -0.69 0.21 0.00 0.00 175.17 175.07 1pn4 s VAL 167 N -0.52 1.89 0.44 -1.27 1.01 0.71 -4.99 120.40 117.68 1pn4 s VAL 167 Ca 0.15 -2.04 -0.25 0.00 0.00 0.00 0.00 61.98 59.83 1pn4 s VAL 167 Cb -0.12 -2.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 1pn4 s VAL 167 CO 0.04 -0.58 1.41 -2.84 0.00 0.00 0.00 175.10 173.13 1pn4 s PRO 168 N 1.11 3.74 -0.12 2.72 0.02 -1.26 -1.43 135.00 139.78 1pn4 s PRO 168 Ca 0.09 2.39 0.01 0.00 0.02 0.00 0.00 61.00 63.51 1pn4 s PRO 168 Cb -0.19 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.67 1pn4 s PRO 168 CO -0.12 -0.76 -0.15 0.08 -0.33 0.00 0.00 177.00 175.72 1pn4 s VAL 169 N -1.21 1.49 0.43 3.83 1.01 -1.26 -4.91 120.40 119.79 1pn4 s VAL 169 Ca 0.60 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 1pn4 s VAL 169 Cb -0.43 -1.38 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 1pn4 s VAL 169 CO 0.56 0.44 1.17 -0.55 0.00 0.00 0.00 175.10 176.71 1pn4 s SER 170 N 1.16 6.33 0.55 3.32 0.15 -1.26 -2.36 113.70 121.59 1pn4 s SER 170 Ca -0.03 2.32 0.24 0.00 0.70 0.00 0.00 55.95 59.18 1pn4 s SER 170 Cb -0.14 -2.61 1.45 0.00 -1.71 0.00 0.00 66.02 63.01 1pn4 s SER 170 CO -0.04 -0.81 2.08 -0.33 1.20 0.00 0.00 173.24 175.34 1pn4 h GLU 171 N 2.30 0.00 -0.03 5.44 5.08 -1.89 -2.40 114.58 123.09 1pn4 h GLU 171 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1pn4 h GLU 171 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1pn4 h GLU 171 CO 0.61 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.37 1pn4 n ASP 172 N -4.24 2.15 -0.32 1.42 8.00 -1.26 -4.60 116.55 117.70 1pn4 n ASP 172 Ca 0.03 -1.72 -0.04 0.00 0.71 0.00 0.00 54.79 53.77 1pn4 n ASP 172 Cb 0.35 -0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.54 1pn4 n ASP 172 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1pn4 h LEU 173 N 3.36 1.12 -1.67 0.64 5.85 -1.81 -1.39 115.31 121.40 1pn4 h LEU 173 Ca 0.00 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1pn4 h LEU 173 Cb 0.71 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1pn4 h LEU 173 CO 0.00 0.91 0.32 0.00 -0.34 0.00 0.00 178.44 179.33 1pn4 h ALA 174 N 1.27 1.93 0.00 1.25 0.00 -1.81 0.81 119.26 122.71 1pn4 h ALA 174 Ca 0.31 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1pn4 h ALA 174 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pn4 h ALA 174 CO -0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 179.25 178.88 1pn4 h ALA 175 N 1.74 1.34 0.03 0.00 0.00 -1.53 -2.44 119.26 118.40 1pn4 h ALA 175 Ca 0.21 -0.28 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 1pn4 h ALA 175 Cb 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1pn4 h ALA 175 CO -0.05 0.39 -1.52 -0.11 0.00 0.00 0.00 179.25 177.95 1pn4 n LEU 176 N -3.95 2.08 -0.36 0.00 7.94 -0.56 -4.34 117.00 117.79 1pn4 n LEU 176 Ca -0.02 0.36 0.01 0.00 -1.11 0.00 0.00 56.01 55.25 1pn4 n LEU 176 Cb 0.38 -1.00 0.15 0.00 0.53 0.00 0.00 43.42 43.48 1pn4 n LEU 176 CO 0.37 0.45 1.26 0.22 -1.11 0.00 0.00 177.39 178.57 1pn4 h TYR 177 N -0.71 1.17 0.00 1.96 3.20 -0.94 -2.11 116.97 119.54 1pn4 h TYR 177 Ca -0.39 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.51 1pn4 h TYR 177 Cb 1.51 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1pn4 h TYR 177 CO 0.08 0.63 0.00 0.07 -1.64 0.00 0.00 178.16 177.31 1pn4 h ARG 178 N 1.18 0.00 0.00 1.82 0.11 -1.63 -1.45 114.38 114.41 1pn4 h ARG 178 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 1pn4 h ARG 178 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1pn4 h ARG 178 CO -0.15 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.20 1pn4 n LEU 179 N -2.67 0.26 0.01 0.08 4.77 -0.79 -2.40 117.00 116.27 1pn4 n LEU 179 Ca -0.02 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.65 1pn4 n LEU 179 Cb 0.07 -0.51 0.57 0.00 -2.33 0.00 0.00 43.42 41.22 1pn4 n LEU 179 CO 0.15 -0.30 0.94 -1.20 -1.33 0.00 0.00 177.39 175.65 1pn4 n SER 180 N -1.78 0.10 0.00 -1.43 7.64 -0.55 -4.88 113.62 112.73 1pn4 n SER 180 Ca 0.04 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1pn4 n SER 180 Cb 0.23 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1pn4 n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn4 n GLY 181 N 1.37 0.88 3.51 0.23 0.00 -1.01 -5.00 105.19 105.17 1pn4 n GLY 181 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1pn4 n GLY 181 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pn4 s ASP 182 N 0.00 6.43 0.00 1.61 -1.08 -1.18 -4.86 116.67 117.59 1pn4 s ASP 182 Ca 0.00 -1.38 0.16 0.00 -0.52 0.00 0.00 52.55 50.81 1pn4 s ASP 182 Cb 0.00 -2.49 0.69 0.00 -1.46 0.00 0.00 42.92 39.66 1pn4 s ASP 182 CO 0.00 -1.43 1.48 0.54 0.52 0.00 0.00 175.17 176.29 1pn4 n ARG 183 N 8.10 1.45 -1.61 4.34 5.12 -1.26 -4.60 116.66 128.21 1pn4 n ARG 183 Ca 0.19 -0.68 -0.59 0.00 -1.93 0.00 0.00 57.85 54.84 1pn4 n ARG 183 Cb 0.49 -1.30 -0.08 0.00 -1.16 0.00 0.00 32.46 30.41 1pn4 n ARG 183 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1pn4 n ASN 184 N -0.06 0.95 0.33 0.55 2.85 -1.26 -4.82 115.26 113.80 1pn4 n ASN 184 Ca 0.13 1.15 0.22 0.00 -0.11 0.00 0.00 54.58 55.97 1pn4 n ASN 184 Cb 0.21 -1.00 1.14 0.00 1.24 0.00 0.00 39.78 41.37 1pn4 n ASN 184 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1pn4 h PRO 185 N 4.36 0.00 -0.99 1.20 0.11 -1.96 -3.18 132.00 131.53 1pn4 h PRO 185 Ca -0.48 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.87 1pn4 h PRO 185 Cb 1.38 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.37 1pn4 h PRO 185 CO 0.80 0.00 0.58 1.25 -0.21 0.00 0.00 178.00 180.42 1pn4 h LEU 186 N 0.00 0.66 -1.71 2.35 5.85 -1.87 -0.93 115.31 119.66 1pn4 h LEU 186 Ca -0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1pn4 h LEU 186 Cb 0.08 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1pn4 h LEU 186 CO 0.00 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.22 1pn4 n GLN 187 N -4.89 2.12 0.00 1.25 3.00 -1.20 -3.26 117.38 114.40 1pn4 n GLN 187 Ca 0.26 -1.69 0.00 0.00 -0.01 0.00 0.00 57.00 55.56 1pn4 n GLN 187 Cb 0.72 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.51 1pn4 n GLN 187 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1pn4 n ILE 188 N 0.91 0.00 -3.66 5.09 0.13 -0.84 -4.60 119.36 116.40 1pn4 n ILE 188 Ca 0.17 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.43 1pn4 n ILE 188 Cb 0.47 -0.05 -0.11 0.00 -0.84 0.00 0.00 39.64 39.11 1pn4 n ILE 188 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1pn4 s ASP 189 N -1.00 5.55 0.30 9.51 -1.08 -0.41 -4.95 116.67 124.59 1pn4 s ASP 189 Ca 0.00 -1.15 0.01 0.00 -0.52 0.00 0.00 52.55 50.89 1pn4 s ASP 189 Cb 0.00 -1.96 0.53 0.00 -1.46 0.00 0.00 42.92 40.04 1pn4 s ASP 189 CO 0.00 -0.39 1.89 -0.65 0.52 0.00 0.00 175.17 176.54 1pn4 h PRO 190 N 8.34 1.00 -0.13 4.34 0.11 -1.92 -1.63 132.00 142.12 1pn4 h PRO 190 Ca -0.24 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 1pn4 h PRO 190 Cb 1.09 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1pn4 h PRO 190 CO 0.66 0.66 -0.36 -0.91 -0.21 0.00 0.00 178.00 177.84 1pn4 h ASN 191 N 1.03 0.28 -0.01 -2.05 2.35 -1.95 0.02 115.58 115.26 1pn4 h ASN 191 Ca 0.42 -0.11 -0.22 0.00 -0.55 0.00 0.00 56.30 55.83 1pn4 h ASN 191 Cb 0.27 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.57 1pn4 h ASN 191 CO -0.17 0.63 -0.83 0.15 -1.65 0.00 0.00 177.43 175.56 1pn4 h PHE 192 N 0.24 0.93 -0.24 1.19 3.04 -1.75 -2.83 116.94 117.52 1pn4 h PHE 192 Ca 0.03 -0.44 -0.07 0.00 3.98 0.00 0.00 57.97 61.47 1pn4 h PHE 192 Cb 0.75 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1pn4 h PHE 192 CO 0.01 1.25 -0.11 0.00 -2.02 0.00 0.00 178.31 177.45 1pn4 h ALA 193 N 0.62 0.33 -0.94 2.41 0.00 -1.11 -2.99 119.26 117.58 1pn4 h ALA 193 Ca -0.06 -0.30 0.14 0.00 0.00 0.00 0.00 54.91 54.69 1pn4 h ALA 193 Cb 1.45 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 1pn4 h ALA 193 CO 0.16 0.19 0.60 -0.22 0.00 0.00 0.00 179.25 179.98 1pn4 h LYS 194 N 0.22 0.76 0.00 0.00 3.64 -0.79 -0.73 116.57 119.67 1pn4 h LYS 194 Ca 0.05 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1pn4 h LYS 194 Cb 0.61 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1pn4 h LYS 194 CO 0.03 0.50 -0.26 0.78 -2.27 0.00 0.00 179.45 178.24 1pn4 h GLY 195 N 0.78 0.00 -2.05 5.01 0.00 -1.39 -1.52 103.07 103.91 1pn4 h GLY 195 Ca 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1pn4 h GLY 195 CO -0.24 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.30 1pn4 n ALA 196 N -2.28 3.08 -2.32 3.60 0.00 -0.32 -4.92 120.51 117.34 1pn4 n ALA 196 Ca -0.01 -0.78 -0.18 0.00 0.00 0.00 0.00 53.44 52.47 1pn4 n ALA 196 Cb 0.40 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 1pn4 n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pn4 n LYS 197 N 0.25 -1.47 -4.35 0.00 5.02 -0.57 -5.03 118.16 112.01 1pn4 n LYS 197 Ca 0.11 0.90 -0.33 0.00 -2.02 0.00 0.00 58.31 56.97 1pn4 n LYS 197 Cb 0.64 -5.42 -0.09 0.00 -0.02 0.00 0.00 35.03 30.14 1pn4 n LYS 197 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1pn4 s PHE 198 N -2.91 3.09 0.31 2.13 0.08 -0.94 -5.01 117.98 114.73 1pn4 s PHE 198 Ca 0.00 0.11 0.15 0.00 0.12 0.00 0.00 56.93 57.31 1pn4 s PHE 198 Cb 0.00 -1.71 0.71 0.00 -0.57 0.00 0.00 43.02 41.45 1pn4 s PHE 198 CO 0.00 0.45 1.79 -1.00 -0.10 0.00 0.00 175.22 176.36 1pn4 h PRO 199 N 4.71 0.00 -3.45 0.24 0.13 -1.91 -2.93 132.00 128.79 1pn4 h PRO 199 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1pn4 h PRO 199 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1pn4 h PRO 199 CO 0.56 0.40 -0.03 -1.59 -0.23 0.00 0.00 178.00 177.10 1pn4 s LYS 200 N -3.94 1.49 0.51 0.86 -2.85 -1.26 -4.83 119.74 109.72 1pn4 s LYS 200 Ca -0.02 -1.07 -0.22 0.00 -1.00 0.00 0.00 55.97 53.66 1pn4 s LYS 200 Cb 0.13 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 36.33 1pn4 s LYS 200 CO 0.71 -0.63 1.14 -2.30 0.10 0.00 0.00 175.35 174.37 1pn4 n PRO 201 N -0.36 1.43 -3.71 1.78 -0.02 -1.26 -4.84 135.00 128.01 1pn4 n PRO 201 Ca -0.05 0.52 -0.20 0.00 -2.02 0.00 0.00 63.50 61.74 1pn4 n PRO 201 Cb 0.62 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1pn4 n PRO 201 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1pn4 s ILE 202 N -1.34 3.77 0.22 4.25 -4.36 -1.20 -4.48 121.20 118.07 1pn4 s ILE 202 Ca 0.69 -1.24 -0.30 0.00 -0.26 0.00 0.00 60.65 59.54 1pn4 s ILE 202 Cb -0.47 -3.28 -0.09 0.00 1.25 0.00 0.00 42.46 39.88 1pn4 s ILE 202 CO 0.52 -0.18 0.94 -0.22 0.24 0.00 0.00 174.94 176.25 1pn4 s LEU 203 N -4.05 4.63 0.23 0.37 2.96 0.57 -4.23 118.68 119.16 1pn4 s LEU 203 Ca 0.42 1.93 -0.31 0.00 -0.22 0.00 0.00 54.13 55.95 1pn4 s LEU 203 Cb -0.07 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 42.88 1pn4 s LEU 203 CO 0.28 0.13 1.39 1.41 -1.32 0.00 0.00 176.35 178.23 1pn4 n HIS 204 N 1.66 2.09 -0.19 5.38 8.25 -1.26 -4.68 115.22 126.47 1pn4 n HIS 204 Ca -0.01 0.45 -0.01 0.00 -0.26 0.00 0.00 57.72 57.89 1pn4 n HIS 204 Cb 0.47 -2.44 0.22 0.00 1.12 0.00 0.00 29.99 29.36 1pn4 n HIS 204 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1pn4 h GLY 205 N 4.14 1.00 2.00 -1.41 0.00 -1.95 -1.69 103.07 105.17 1pn4 h GLY 205 Ca -0.45 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1pn4 h GLY 205 CO 0.75 0.43 0.00 -0.33 0.00 0.00 0.00 176.54 177.40 1pn4 h MET 206 N 0.94 0.00 0.17 4.80 2.86 -1.97 -2.16 114.93 119.57 1pn4 h MET 206 Ca 0.24 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1pn4 h MET 206 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1pn4 h MET 206 CO -0.04 0.00 -0.08 0.00 1.06 0.00 0.00 176.91 177.85 1pn4 h THR 208 N -0.83 0.57 -0.17 0.00 2.02 -1.24 0.20 112.91 113.45 1pn4 h THR 208 Ca -0.02 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 1pn4 h THR 208 Cb 0.53 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1pn4 h THR 208 CO 0.04 0.11 -0.16 0.22 0.37 0.00 0.00 175.52 176.10 1pn4 h TYR 209 N 0.59 0.48 -0.49 3.16 3.20 -1.45 -1.27 116.97 121.18 1pn4 h TYR 209 Ca 0.63 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 62.29 1pn4 h TYR 209 Cb 1.20 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1pn4 h TYR 209 CO -0.01 0.77 0.02 0.78 -1.64 0.00 0.00 178.16 178.09 1pn4 h GLY 210 N 0.05 0.87 1.01 1.82 0.00 -0.61 -0.34 103.07 105.86 1pn4 h GLY 210 Ca 0.03 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 1pn4 h GLY 210 CO 0.04 0.52 -0.14 1.41 0.00 0.00 0.00 176.54 178.37 1pn4 h LEU 211 N 0.76 0.84 -0.22 3.11 3.38 -0.90 -0.48 115.31 121.79 1pn4 h LEU 211 Ca 0.15 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1pn4 h LEU 211 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pn4 h LEU 211 CO 0.02 1.03 0.08 0.28 0.09 0.00 0.00 178.44 179.93 1pn4 h SER 212 N 0.64 0.31 -0.27 -0.43 0.02 -1.15 -1.83 113.55 110.84 1pn4 h SER 212 Ca 0.10 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1pn4 h SER 212 Cb 0.68 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 1pn4 h SER 212 CO 0.05 0.41 -0.10 0.00 -1.14 0.00 0.00 176.83 176.05 1pn4 h ALA 213 N 0.91 0.13 -0.37 3.77 0.00 -0.91 0.06 119.26 122.86 1pn4 h ALA 213 Ca 0.07 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1pn4 h ALA 213 Cb 0.20 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1pn4 h ALA 213 CO -0.00 -0.50 0.11 -0.22 0.00 0.00 0.00 179.25 178.64 1pn4 h LYS 214 N -0.05 0.25 -0.66 0.00 3.11 -1.00 0.91 116.57 119.13 1pn4 h LYS 214 Ca 0.13 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.88 1pn4 h LYS 214 Cb 0.25 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.40 1pn4 h LYS 214 CO -0.30 0.17 0.10 0.00 -2.81 0.00 0.00 179.45 176.61 1pn4 h ALA 215 N 1.25 0.93 -0.79 5.00 0.00 -0.99 -1.45 119.26 123.20 1pn4 h ALA 215 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pn4 h ALA 215 Cb 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pn4 h ALA 215 CO -0.19 0.66 0.49 -0.07 0.00 0.00 0.00 179.25 180.14 1pn4 h LEU 216 N 1.02 0.95 -0.79 0.00 3.38 -0.46 -2.83 115.31 116.58 1pn4 h LEU 216 Ca 0.20 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1pn4 h LEU 216 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pn4 h LEU 216 CO 0.01 0.72 -0.26 0.40 0.09 0.00 0.00 178.44 179.41 1pn4 h ILE 217 N 1.09 1.27 -0.07 1.22 2.04 -0.27 -0.73 117.51 122.06 1pn4 h ILE 217 Ca 0.29 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.83 1pn4 h ILE 217 Cb -0.06 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1pn4 h ILE 217 CO -0.06 0.43 0.05 0.44 0.00 0.00 0.00 178.15 179.02 1pn4 h ASP 218 N 0.55 0.00 0.02 1.72 3.32 -1.03 0.56 116.42 121.55 1pn4 h ASP 218 Ca 0.07 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.80 1pn4 h ASP 218 Cb 0.73 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1pn4 h ASP 218 CO 0.06 0.00 -1.77 1.17 -1.72 0.00 0.00 179.24 176.98 1pn4 n LYS 219 N -4.47 0.60 0.00 3.56 3.00 -0.90 -4.71 118.16 115.24 1pn4 n LYS 219 Ca -0.01 0.43 0.04 0.00 -0.00 0.00 0.00 58.31 58.77 1pn4 n LYS 219 Cb 0.16 -1.66 -0.03 0.00 0.00 0.00 0.00 35.03 33.50 1pn4 n LYS 219 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1pn4 n PHE 220 N -4.18 0.00 -4.11 5.64 3.72 -0.33 -5.11 117.46 113.08 1pn4 n PHE 220 Ca -0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1pn4 n PHE 220 Cb 0.80 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1pn4 n PHE 220 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pn4 n GLY 221 N 1.05 -1.56 3.81 1.37 0.00 0.18 -4.98 105.19 105.06 1pn4 n GLY 221 Ca 0.03 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 1pn4 n GLY 221 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pn4 s MET 222 N 0.00 3.60 0.13 1.61 -1.94 -1.26 -4.20 119.30 117.24 1pn4 s MET 222 Ca 0.00 1.15 0.06 0.00 -1.71 0.00 0.00 55.69 55.19 1pn4 s MET 222 Cb 0.00 -2.08 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 1pn4 s MET 222 CO 0.00 -0.57 -0.13 -0.59 -0.01 0.00 0.00 175.02 173.71 1pn4 s PHE 223 N -2.43 1.36 -0.35 -0.03 -0.12 -1.26 -2.35 117.98 112.81 1pn4 s PHE 223 Ca 0.63 -0.59 0.06 0.00 -0.05 0.00 0.00 56.93 56.97 1pn4 s PHE 223 Cb -0.14 -0.71 0.15 0.00 -0.63 0.00 0.00 43.02 41.70 1pn4 s PHE 223 CO 0.32 0.13 1.12 0.27 -0.05 0.00 0.00 175.22 177.02 1pn4 n ASN 224 N 0.37 2.44 -3.64 1.98 0.23 -0.65 -4.83 115.26 111.17 1pn4 n ASN 224 Ca -0.14 -2.12 -0.13 0.00 -0.53 0.00 0.00 54.58 51.65 1pn4 n ASN 224 Cb 0.58 -0.14 -0.07 0.00 -2.08 0.00 0.00 39.78 38.07 1pn4 n ASN 224 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1pn4 s GLU 225 N -1.21 0.80 -0.06 -3.83 2.12 -1.25 -0.36 118.70 114.92 1pn4 s GLU 225 Ca 0.12 0.99 -0.23 0.00 0.36 0.00 0.00 54.97 56.21 1pn4 s GLU 225 Cb 0.08 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.89 1pn4 s GLU 225 CO 0.06 -0.10 0.52 -1.50 -0.54 0.00 0.00 175.26 173.70 1pn4 s ILE 226 N 0.47 0.02 -0.23 -3.70 2.07 0.12 -1.39 121.20 118.56 1pn4 s ILE 226 Ca -0.01 -0.19 -0.20 0.00 -1.41 0.00 0.00 60.65 58.84 1pn4 s ILE 226 Cb -0.05 -0.82 0.06 0.00 0.13 0.00 0.00 42.46 41.79 1pn4 s ILE 226 CO -0.01 -0.10 0.61 -0.75 -1.91 0.00 0.00 174.94 172.78 1pn4 s LYS 227 N -1.05 0.69 -0.07 3.50 2.36 -1.00 -1.06 119.74 123.11 1pn4 s LYS 227 Ca -0.11 0.89 -0.21 0.00 -2.55 0.00 0.00 55.97 53.99 1pn4 s LYS 227 Cb -0.03 0.30 0.04 0.00 -1.05 0.00 0.00 37.83 37.10 1pn4 s LYS 227 CO 0.07 -0.10 0.47 0.00 1.55 0.00 0.00 175.35 177.34 1pn4 s ALA 228 N 0.53 -1.20 -0.20 3.13 0.00 -0.44 -1.04 121.76 122.54 1pn4 s ALA 228 Ca -0.02 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 1pn4 s ALA 228 Cb -0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1pn4 s ALA 228 CO -0.02 -0.29 0.13 0.50 0.00 0.00 0.00 175.76 176.08 1pn4 s ARG 229 N -0.91 4.16 -0.67 0.00 3.52 -0.13 -1.40 118.95 123.53 1pn4 s ARG 229 Ca -0.10 -0.23 -0.24 0.00 -0.13 0.00 0.00 55.73 55.03 1pn4 s ARG 229 Cb -0.03 -3.42 0.06 0.00 -1.56 0.00 0.00 34.95 29.99 1pn4 s ARG 229 CO 0.05 0.27 1.05 -0.06 -0.81 0.00 0.00 175.30 175.80 1pn4 s PHE 230 N 0.45 2.58 -0.80 5.12 0.08 -0.03 -0.71 117.98 124.68 1pn4 s PHE 230 Ca 0.08 -0.36 0.19 0.00 0.12 0.00 0.00 56.93 56.95 1pn4 s PHE 230 Cb -0.11 -4.37 -0.21 0.00 -0.57 0.00 0.00 43.02 37.76 1pn4 s PHE 230 CO -0.01 -1.74 0.76 0.25 -0.10 0.00 0.00 175.22 174.38 1pn4 n THR 231 N 6.08 0.00 -3.68 0.64 -2.24 0.08 -4.82 114.28 110.34 1pn4 n THR 231 Ca -0.01 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1pn4 n THR 231 Cb 0.47 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 1pn4 n THR 231 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pn4 s GLY 232 N -2.91 -0.44 0.49 3.38 0.00 -1.05 -4.90 107.32 101.88 1pn4 s GLY 232 Ca 0.06 1.73 -0.22 0.00 0.00 0.00 0.00 44.72 46.29 1pn4 s GLY 232 CO 0.77 1.62 1.16 -0.26 0.00 0.00 0.00 173.10 176.39 1pn4 s ILE 233 N 0.75 3.10 -0.02 0.90 -4.36 -1.26 -4.42 121.20 115.88 1pn4 s ILE 233 Ca -0.04 0.78 0.08 0.00 -0.26 0.00 0.00 60.65 61.21 1pn4 s ILE 233 Cb -0.05 -3.37 -0.02 0.00 1.25 0.00 0.00 42.46 40.27 1pn4 s ILE 233 CO -0.05 -0.06 -0.26 -0.69 0.24 0.00 0.00 174.94 174.12 1pn4 s VAL 234 N -1.61 2.04 -0.09 8.37 1.01 -1.26 -4.90 120.40 123.96 1pn4 s VAL 234 Ca 0.67 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1pn4 s VAL 234 Cb -0.27 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1pn4 s VAL 234 CO 0.33 0.57 0.04 -0.36 0.00 0.00 0.00 175.10 175.68 1pn4 s PHE 235 N -0.61 3.29 0.15 5.22 0.08 -1.26 -0.32 117.98 124.53 1pn4 s PHE 235 Ca 0.10 0.29 -0.34 0.00 0.12 0.00 0.00 56.93 57.10 1pn4 s PHE 235 Cb -0.10 -1.83 -0.15 0.00 -0.57 0.00 0.00 43.02 40.37 1pn4 s PHE 235 CO -0.01 0.55 1.40 -2.30 -0.10 0.00 0.00 175.22 174.76 1pn4 n PRO 236 N 2.06 1.62 0.00 0.24 -0.02 -1.26 -2.18 135.00 135.46 1pn4 n PRO 236 Ca -0.19 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1pn4 n PRO 236 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1pn4 n PRO 236 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pn4 n GLY 237 N 2.67 1.98 3.69 -1.23 0.00 -0.99 -4.60 105.19 106.70 1pn4 n GLY 237 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1pn4 n GLY 237 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn4 s GLU 238 N -0.68 4.30 0.09 1.61 2.02 -0.93 -4.62 118.70 120.50 1pn4 s GLU 238 Ca 0.00 0.65 -0.31 0.00 0.02 0.00 0.00 54.97 55.33 1pn4 s GLU 238 Cb 0.00 -3.51 -0.08 0.00 0.10 0.00 0.00 34.13 30.64 1pn4 s GLU 238 CO 0.00 -0.07 1.41 0.99 0.02 0.00 0.00 175.26 177.61 1pn4 s THR 239 N 1.33 3.35 0.19 3.63 2.01 -1.26 -4.07 115.64 120.82 1pn4 s THR 239 Ca 0.30 0.93 -0.02 0.00 0.31 0.00 0.00 61.69 63.22 1pn4 s THR 239 Cb -0.16 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1pn4 s THR 239 CO 0.12 0.06 0.39 -0.76 -0.69 0.00 0.00 174.62 173.74 1pn4 s LEU 240 N 1.41 4.23 -0.15 4.42 1.43 -0.51 -2.30 118.68 127.20 1pn4 s LEU 240 Ca 0.65 0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1pn4 s LEU 240 Cb -0.36 -3.21 0.03 0.00 0.03 0.00 0.00 46.19 42.68 1pn4 s LEU 240 CO 0.30 -0.03 -0.09 -0.60 0.23 0.00 0.00 176.35 176.16 1pn4 s ARG 241 N -3.18 1.75 -0.13 1.70 3.52 0.10 -0.20 118.95 122.51 1pn4 s ARG 241 Ca 0.39 -0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 55.32 1pn4 s ARG 241 Cb -0.11 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.25 1pn4 s ARG 241 CO 0.28 -0.34 0.40 0.08 -0.81 0.00 0.00 175.30 174.91 1pn4 s VAL 242 N 1.58 5.22 -0.11 7.11 1.01 0.86 -0.04 120.40 136.04 1pn4 s VAL 242 Ca 0.03 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.82 1pn4 s VAL 242 Cb -0.14 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1pn4 s VAL 242 CO -0.09 0.37 -0.20 -0.76 0.00 0.00 0.00 175.10 174.42 1pn4 s LEU 243 N 0.46 2.30 -0.01 3.92 1.02 0.63 -1.63 118.68 125.37 1pn4 s LEU 243 Ca 0.22 -0.48 0.02 0.00 0.02 0.00 0.00 54.13 53.91 1pn4 s LEU 243 Cb -0.14 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.59 1pn4 s LEU 243 CO 0.08 0.17 -0.07 0.00 0.02 0.00 0.00 176.35 176.55 1pn4 s ALA 244 N 0.30 0.57 -0.12 4.21 0.00 0.04 -1.08 121.76 125.68 1pn4 s ALA 244 Ca -0.15 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1pn4 s ALA 244 Cb -0.17 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1pn4 s ALA 244 CO 0.08 0.14 -0.15 -1.58 0.00 0.00 0.00 175.76 174.25 1pn4 s TRP 245 N -0.15 2.04 -0.46 0.00 0.51 -0.41 -1.07 118.94 119.39 1pn4 s TRP 245 Ca 0.02 -1.04 -0.28 0.00 -2.12 0.00 0.00 56.10 52.69 1pn4 s TRP 245 Cb -0.03 -1.49 0.00 0.00 -0.81 0.00 0.00 33.47 31.15 1pn4 s TRP 245 CO -0.00 -0.55 1.51 0.21 -0.51 0.00 0.00 176.95 177.60 1pn4 s LYS 246 N 1.20 3.37 0.00 4.98 2.20 -1.26 -1.65 119.74 128.58 1pn4 s LYS 246 Ca -0.02 0.83 0.17 0.00 -0.36 0.00 0.00 55.97 56.60 1pn4 s LYS 246 Cb -0.14 -4.11 0.05 0.00 -1.51 0.00 0.00 37.83 32.11 1pn4 s LYS 246 CO -0.05 -1.82 0.94 0.39 -0.36 0.00 0.00 175.35 174.45 1pn4 n GLU 247 N 8.41 1.57 -3.03 4.03 -0.58 -0.26 -5.01 120.64 125.77 1pn4 n GLU 247 Ca 0.17 -1.09 0.00 0.00 -0.42 0.00 0.00 57.16 55.82 1pn4 n GLU 247 Cb 0.48 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 1pn4 n GLU 247 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1pn4 n SER 248 N 0.28 0.00 0.26 1.62 3.41 -1.23 -4.90 113.62 113.06 1pn4 n SER 248 Ca 0.08 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.84 1pn4 n SER 248 Cb 0.38 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.96 1pn4 n SER 248 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pn4 h ASP 249 N 0.00 0.00 0.14 4.04 3.32 -2.03 -3.22 116.42 118.66 1pn4 h ASP 249 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1pn4 h ASP 249 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1pn4 h ASP 249 CO 0.00 0.09 -1.76 0.44 -1.72 0.00 0.00 179.24 176.29 1pn4 h ASP 250 N 0.00 0.46 -3.24 6.45 3.32 -1.94 -3.46 116.42 118.01 1pn4 h ASP 250 Ca -0.00 -0.91 -0.61 0.00 0.02 0.00 0.00 57.03 55.53 1pn4 h ASP 250 Cb 0.56 -0.15 -0.34 0.00 0.22 0.00 0.00 39.33 39.61 1pn4 h ASP 250 CO 0.01 1.77 -0.84 -0.89 -1.72 0.00 0.00 179.24 177.57 1pn4 s THR 251 N -2.54 1.65 -0.33 0.35 2.01 -1.22 -0.54 115.64 115.02 1pn4 s THR 251 Ca -0.20 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 60.97 1pn4 s THR 251 Cb 0.06 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.08 1pn4 s THR 251 CO 0.79 0.47 0.18 -0.63 -0.69 0.00 0.00 174.62 174.74 1pn4 s ILE 252 N 0.96 4.64 0.15 1.82 -1.09 -0.58 -1.10 121.20 126.00 1pn4 s ILE 252 Ca -0.06 -0.55 -0.23 0.00 -2.23 0.00 0.00 60.65 57.58 1pn4 s ILE 252 Cb -0.15 -3.44 -0.08 0.00 -1.58 0.00 0.00 42.46 37.21 1pn4 s ILE 252 CO -0.02 -0.04 0.72 -0.69 -1.23 0.00 0.00 174.94 173.68 1pn4 s VAL 253 N 1.60 4.49 0.20 2.92 1.01 -0.66 -0.72 120.40 129.24 1pn4 s VAL 253 Ca 0.04 1.52 -0.09 0.00 0.00 0.00 0.00 61.98 63.44 1pn4 s VAL 253 Cb -0.18 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1pn4 s VAL 253 CO 0.07 0.48 0.33 0.72 0.00 0.00 0.00 175.10 176.70 1pn4 s PHE 254 N -1.20 0.48 0.00 5.22 -0.12 0.04 -1.28 117.98 121.12 1pn4 s PHE 254 Ca 0.35 -0.82 -0.01 0.00 -0.05 0.00 0.00 56.93 56.40 1pn4 s PHE 254 Cb -0.21 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.14 1pn4 s PHE 254 CO 0.24 -0.81 0.02 -0.65 -0.05 0.00 0.00 175.22 173.97 1pn4 s GLN 255 N -4.01 0.22 -0.16 1.99 -0.21 -0.24 -3.68 119.66 113.57 1pn4 s GLN 255 Ca 0.22 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.31 1pn4 s GLN 255 Cb 0.02 0.08 0.02 0.00 1.00 0.00 0.00 33.01 34.14 1pn4 s GLN 255 CO 0.05 -0.04 -0.18 0.99 -2.12 0.00 0.00 175.29 173.99 1pn4 s THR 256 N -0.82 1.85 0.09 -0.19 2.01 -0.49 -0.27 115.64 117.81 1pn4 s THR 256 Ca -0.09 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1pn4 s THR 256 Cb -0.06 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1pn4 s THR 256 CO -0.00 0.51 -0.01 -1.00 -0.69 0.00 0.00 174.62 173.43 1pn4 s HIS 257 N 1.24 2.98 -0.42 4.92 3.76 0.94 -0.35 115.29 128.36 1pn4 s HIS 257 Ca 0.02 -0.03 -0.22 0.00 -0.15 0.00 0.00 55.06 54.67 1pn4 s HIS 257 Cb -0.14 -1.54 0.02 0.00 1.11 0.00 0.00 32.58 32.04 1pn4 s HIS 257 CO -0.09 0.48 0.75 0.08 -0.85 0.00 0.00 174.74 175.10 1pn4 s VAL 258 N -1.29 4.71 0.08 -0.90 1.01 0.21 0.01 120.40 124.22 1pn4 s VAL 258 Ca 0.25 0.48 -0.33 0.00 0.00 0.00 0.00 61.98 62.38 1pn4 s VAL 258 Cb -0.12 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.85 1pn4 s VAL 258 CO 0.18 -0.61 1.52 0.58 0.00 0.00 0.00 175.10 176.77 1pn4 h VAL 259 N 5.89 0.00 -0.69 2.92 2.07 -1.75 -1.08 116.25 123.61 1pn4 h VAL 259 Ca -0.25 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.39 1pn4 h VAL 259 Cb 1.09 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1pn4 h VAL 259 CO 0.93 0.00 0.27 0.44 0.02 0.00 0.00 177.57 179.23 1pn4 h ASP 260 N -0.91 0.27 0.29 0.57 3.32 -1.95 -2.54 116.42 115.47 1pn4 h ASP 260 Ca -0.05 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1pn4 h ASP 260 Cb 0.80 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1pn4 h ASP 260 CO -0.08 0.13 -0.44 0.54 -1.72 0.00 0.00 179.24 177.67 1pn4 n ARG 261 N -4.99 0.49 -3.60 3.56 1.74 -1.21 -4.96 116.66 107.69 1pn4 n ARG 261 Ca 0.12 -0.31 -0.24 0.00 -0.77 0.00 0.00 57.85 56.64 1pn4 n ARG 261 Cb 0.34 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.37 1pn4 n ARG 261 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pn4 n GLY 262 N 1.42 -0.55 3.69 -0.13 0.00 -0.44 -5.02 105.19 104.16 1pn4 n GLY 262 Ca 0.09 0.25 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 1pn4 n GLY 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pn4 s THR 263 N -3.32 3.24 -0.38 2.61 -4.23 -1.00 -4.97 115.64 107.59 1pn4 s THR 263 Ca 0.59 -1.79 -0.14 0.00 -1.18 0.00 0.00 61.69 59.17 1pn4 s THR 263 Cb -0.26 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.66 1pn4 s THR 263 CO 0.72 -0.27 0.27 -0.63 -0.54 0.00 0.00 174.62 174.17 1pn4 s ILE 264 N -2.38 5.17 -0.05 2.99 1.01 -1.26 -0.62 121.20 126.06 1pn4 s ILE 264 Ca 0.35 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 60.21 1pn4 s ILE 264 Cb -0.04 -3.80 -0.22 0.00 0.01 0.00 0.00 42.46 38.41 1pn4 s ILE 264 CO 0.21 -0.20 1.09 0.00 0.00 0.00 0.00 174.94 176.04 1pn4 h ALA 265 N 8.56 0.04 -3.36 9.38 0.00 -0.90 -2.78 119.26 130.19 1pn4 h ALA 265 Ca -0.28 -0.40 -0.61 0.00 0.00 0.00 0.00 54.91 53.61 1pn4 h ALA 265 Cb 1.13 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.59 1pn4 h ALA 265 CO 0.69 -0.00 -0.85 0.42 0.00 0.00 0.00 179.25 179.51 1pn4 s ILE 266 N -3.40 1.67 0.37 0.00 1.01 -0.44 -0.74 121.20 119.66 1pn4 s ILE 266 Ca -0.16 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1pn4 s ILE 266 Cb 0.01 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1pn4 s ILE 266 CO 0.72 0.47 0.14 0.21 0.00 0.00 0.00 174.94 176.48 1pn4 s ASN 267 N 0.51 2.38 -1.31 3.58 3.84 0.11 -1.40 114.94 122.65 1pn4 s ASN 267 Ca -0.16 -1.62 -0.00 0.00 0.21 0.00 0.00 52.86 51.28 1pn4 s ASN 267 Cb -0.17 0.42 -0.00 0.00 -0.55 0.00 0.00 41.25 40.95 1pn4 s ASN 267 CO 0.06 -0.90 0.68 0.59 -2.79 0.00 0.00 177.10 174.74 1pn4 n ASN 268 N -1.17 -1.08 -4.20 -4.21 4.13 -1.26 -0.96 115.26 106.51 1pn4 n ASN 268 Ca -0.03 -0.83 -0.19 0.00 1.68 0.00 0.00 54.58 55.20 1pn4 n ASN 268 Cb 0.65 -3.98 -0.12 0.00 -1.54 0.00 0.00 39.78 34.79 1pn4 n ASN 268 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pn4 s ALA 269 N -3.69 1.31 0.09 5.41 0.00 -1.24 -3.61 121.76 120.02 1pn4 s ALA 269 Ca 0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 1pn4 s ALA 269 Cb -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.07 1pn4 s ALA 269 CO 0.82 0.19 0.61 0.00 0.00 0.00 0.00 175.76 177.37 1pn4 s ALA 270 N -1.35 -1.59 0.09 0.00 0.00 -0.20 -0.78 121.76 117.92 1pn4 s ALA 270 Ca 0.00 0.71 0.10 0.00 0.00 0.00 0.00 51.96 52.78 1pn4 s ALA 270 Cb -0.09 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 1pn4 s ALA 270 CO 0.03 -0.62 -0.26 0.96 0.00 0.00 0.00 175.76 175.86 1pn4 s ILE 271 N -2.90 2.14 -0.36 0.00 -4.36 0.11 -2.37 121.20 113.45 1pn4 s ILE 271 Ca -0.03 -1.57 -0.09 0.00 -0.26 0.00 0.00 60.65 58.70 1pn4 s ILE 271 Cb -0.01 -1.87 0.03 0.00 1.25 0.00 0.00 42.46 41.87 1pn4 s ILE 271 CO -0.05 0.19 0.17 -0.75 0.24 0.00 0.00 174.94 174.73 1pn4 s LYS 272 N -1.69 2.73 0.55 0.37 2.20 -0.49 -1.53 119.74 121.89 1pn4 s LYS 272 Ca 0.12 -1.13 -0.20 0.00 -0.36 0.00 0.00 55.97 54.40 1pn4 s LYS 272 Cb -0.10 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 1pn4 s LYS 272 CO 0.04 -0.69 1.23 -0.51 -0.36 0.00 0.00 175.35 175.06 1pn4 s LEU 273 N 1.49 3.79 0.35 5.43 1.43 0.30 -1.63 118.68 129.83 1pn4 s LEU 273 Ca 0.01 2.45 0.06 0.00 -1.03 0.00 0.00 54.13 55.62 1pn4 s LEU 273 Cb -0.19 -4.44 0.64 0.00 0.03 0.00 0.00 46.19 42.23 1pn4 s LEU 273 CO 0.05 -1.42 1.87 -0.37 0.23 0.00 0.00 176.35 176.71 1pn4 h VAL 274 N 1.25 1.20 -0.61 -1.59 -1.51 -1.79 -3.44 116.25 109.77 1pn4 h VAL 274 Ca -0.50 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1pn4 h VAL 274 Cb 1.29 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1pn4 h VAL 274 CO 0.57 0.28 0.00 0.61 -1.23 0.00 0.00 177.57 177.80 1pn4 n GLY 275 N -0.80 -0.02 0.00 5.19 0.00 -1.26 -5.06 105.19 103.24 1pn4 n GLY 275 Ca 0.00 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1pn4 n GLY 275 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54