#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyt n ARG 2 N 0.00 0.03 -4.15 0.00 5.12 -1.26 -4.91 116.66 111.49 1pyt n ARG 2 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 1pyt n ARG 2 Cb 0.00 -1.51 -0.09 0.00 -1.16 0.00 0.00 32.46 29.70 1pyt n ARG 2 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1pyt s SER 3 N -3.12 0.23 0.00 0.55 0.15 -1.26 -5.03 113.70 105.22 1pyt s SER 3 Ca 0.09 -1.31 0.23 0.00 0.70 0.00 0.00 55.95 55.66 1pyt s SER 3 Cb 0.17 0.45 0.81 0.00 -1.71 0.00 0.00 66.02 65.74 1pyt s SER 3 CO 0.75 -0.95 1.59 1.07 1.20 0.00 0.00 173.24 176.91 1pyt n THR 4 N -0.33 0.16 0.91 6.45 5.66 -1.26 -3.43 114.28 122.44 1pyt n THR 4 Ca 0.01 -0.34 0.12 0.00 -3.05 0.00 0.00 64.05 60.80 1pyt n THR 4 Cb 0.65 0.45 0.28 0.00 -1.55 0.00 0.00 70.33 70.16 1pyt n THR 4 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1pyt n ASN 5 N 0.34 2.56 0.00 1.09 3.02 -1.26 -3.93 115.26 117.07 1pyt n ASN 5 Ca 0.17 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1pyt n ASN 5 Cb 0.35 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1pyt n ASN 5 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pyt n THR 6 N 0.93 0.18 -2.40 3.41 -2.24 -1.22 -5.06 114.28 107.88 1pyt n THR 6 Ca 0.17 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1pyt n THR 6 Cb 0.49 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 1pyt n THR 6 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pyt s PHE 7 N -0.18 3.45 -0.54 4.78 5.36 -1.23 -4.78 117.98 124.83 1pyt s PHE 7 Ca 0.00 1.42 -0.28 0.00 -0.96 0.00 0.00 56.93 57.11 1pyt s PHE 7 Cb 0.00 -3.41 0.02 0.00 -0.34 0.00 0.00 43.02 39.30 1pyt s PHE 7 CO 0.00 -1.15 1.25 1.21 -1.46 0.00 0.00 175.22 175.07 1pyt s ASN 8 N 0.28 6.41 0.00 6.13 3.84 -1.26 -4.86 114.94 125.48 1pyt s ASN 8 Ca 0.54 0.28 0.28 0.00 0.21 0.00 0.00 52.86 54.17 1pyt s ASN 8 Cb -0.32 -2.55 1.15 0.00 -0.55 0.00 0.00 41.25 38.99 1pyt s ASN 8 CO 0.35 -1.48 1.81 -1.22 -2.79 0.00 0.00 177.10 173.77 1pyt n TYR 9 N 8.59 0.00 -1.45 0.43 4.02 -1.26 -4.22 117.16 123.27 1pyt n TYR 9 Ca 0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.68 1pyt n TYR 9 Cb 0.49 -0.15 0.08 0.00 -0.02 0.00 0.00 39.34 39.74 1pyt n TYR 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pyt n ALA 10 N -0.80 6.05 -3.54 -0.72 0.00 -1.26 -4.60 120.51 115.63 1pyt n ALA 10 Ca 0.15 -3.50 -0.11 0.00 0.00 0.00 0.00 53.44 49.98 1pyt n ALA 10 Cb 0.29 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 18.25 1pyt n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1pyt s THR 11 N -4.69 0.00 -0.10 0.00 -1.32 -1.26 -4.74 115.64 103.53 1pyt s THR 11 Ca 0.62 -1.17 -0.03 0.00 -1.21 0.00 0.00 61.69 59.90 1pyt s THR 11 Cb 0.49 -2.86 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 1pyt s THR 11 CO 0.00 0.00 0.03 -0.31 -2.21 0.00 0.00 174.62 172.13 1pyt s TYR 12 N -2.42 3.24 0.26 9.09 2.02 -1.26 -4.97 117.35 123.32 1pyt s TYR 12 Ca 0.20 0.23 0.09 0.00 -0.37 0.00 0.00 57.07 57.21 1pyt s TYR 12 Cb -0.04 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1pyt s TYR 12 CO 0.14 0.48 0.07 -1.01 -1.57 0.00 0.00 175.55 173.66 1pyt s HIS 13 N -0.77 2.86 0.48 2.71 3.76 -1.26 -5.14 115.29 117.92 1pyt s HIS 13 Ca 0.12 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.78 1pyt s HIS 13 Cb -0.12 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.26 1pyt s HIS 13 CO 0.02 0.58 0.80 0.95 -0.85 0.00 0.00 174.74 176.25 1pyt s THR 14 N -2.25 4.86 0.28 1.30 -4.23 -1.26 -4.89 115.64 109.46 1pyt s THR 14 Ca 0.32 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1pyt s THR 14 Cb -0.07 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.24 1pyt s THR 14 CO 0.22 -0.80 1.64 0.25 -0.54 0.00 0.00 174.62 175.39 1pyt h LEU 15 N 0.41 -0.07 0.54 4.79 7.12 -1.96 -1.79 115.31 124.35 1pyt h LEU 15 Ca -0.47 0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.72 1pyt h LEU 15 Cb 1.20 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 41.60 1pyt h LEU 15 CO 0.62 -0.16 -0.43 0.44 -0.13 0.00 0.00 178.44 178.78 1pyt h ASP 16 N 0.19 -1.15 -1.00 1.25 5.19 -1.99 -0.58 116.42 118.33 1pyt h ASP 16 Ca 0.53 0.08 0.22 0.00 -0.62 0.00 0.00 57.03 57.23 1pyt h ASP 16 Cb 1.03 0.36 -0.11 0.00 0.18 0.00 0.00 39.33 40.80 1pyt h ASP 16 CO -0.66 -0.61 0.61 -0.33 -3.12 0.00 0.00 179.24 175.14 1pyt h GLU 17 N -0.94 0.63 -0.28 3.56 5.08 -1.73 0.59 114.58 121.49 1pyt h GLU 17 Ca -0.07 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1pyt h GLU 17 Cb 0.79 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1pyt h GLU 17 CO 0.01 0.42 -0.31 0.82 -1.00 0.00 0.00 179.01 178.94 1pyt h ILE 18 N 0.65 1.28 -0.09 3.13 2.04 -0.97 -0.61 117.51 122.94 1pyt h ILE 18 Ca 0.59 -1.42 -0.15 0.00 1.00 0.00 0.00 64.86 64.89 1pyt h ILE 18 Cb 1.08 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1pyt h ILE 18 CO -0.38 0.45 -0.58 1.88 0.00 0.00 0.00 178.15 179.52 1pyt h TYR 19 N 0.51 0.37 -0.00 1.37 -1.99 0.17 -2.48 116.97 114.92 1pyt h TYR 19 Ca 0.06 -0.14 -0.17 0.00 2.00 0.00 0.00 58.73 60.49 1pyt h TYR 19 Cb 0.79 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.43 1pyt h TYR 19 CO 0.03 0.80 -0.78 -0.44 -0.00 0.00 0.00 178.16 177.77 1pyt h ASP 20 N 0.22 0.07 -0.16 3.88 3.32 -0.63 -3.11 116.42 120.02 1pyt h ASP 20 Ca -0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1pyt h ASP 20 Cb 1.08 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1pyt h ASP 20 CO 0.09 0.82 0.04 0.15 -1.72 0.00 0.00 179.24 178.63 1pyt h PHE 21 N 0.03 0.26 -0.89 4.55 3.04 -0.81 -2.64 116.94 120.49 1pyt h PHE 21 Ca -0.02 -0.03 0.20 0.00 3.98 0.00 0.00 57.97 62.11 1pyt h PHE 21 Cb 1.37 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 39.75 1pyt h PHE 21 CO 0.01 0.38 0.59 0.52 -2.02 0.00 0.00 178.31 177.79 1pyt h MET 22 N 0.07 0.37 -0.30 1.11 0.00 -1.40 -1.60 114.93 113.17 1pyt h MET 22 Ca 0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 59.70 59.55 1pyt h MET 22 Cb 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 31.60 31.76 1pyt h MET 22 CO -0.00 0.24 -0.50 -0.44 0.00 0.00 0.00 176.91 176.21 1pyt h ASP 23 N 0.38 0.93 0.13 1.22 3.32 -1.41 -2.32 116.42 118.67 1pyt h ASP 23 Ca 0.46 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1pyt h ASP 23 Cb 1.19 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1pyt h ASP 23 CO -0.16 1.26 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.48 1pyt h LEU 24 N 0.66 -0.15 -0.57 1.55 3.38 -1.06 0.16 115.31 119.28 1pyt h LEU 24 Ca 0.03 -0.34 0.12 0.00 0.09 0.00 0.00 57.88 57.77 1pyt h LEU 24 Cb 1.10 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 1pyt h LEU 24 CO 0.11 0.29 -0.05 0.25 0.09 0.00 0.00 178.44 179.14 1pyt h LEU 25 N -0.63 -0.34 0.61 1.67 5.85 -1.43 0.73 115.31 121.77 1pyt h LEU 25 Ca -0.02 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1pyt h LEU 25 Cb 0.48 0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.80 1pyt h LEU 25 CO 0.03 -0.13 -0.30 0.58 -0.34 0.00 0.00 178.44 178.29 1pyt h VAL 26 N 0.08 0.39 0.00 1.05 2.07 -1.44 0.18 116.25 118.58 1pyt h VAL 26 Ca 0.29 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1pyt h VAL 26 Cb 0.46 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1pyt h VAL 26 CO -0.52 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.13 1pyt h ALA 27 N -0.44 1.05 0.07 1.67 0.00 0.65 -2.02 119.26 120.23 1pyt h ALA 27 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 1pyt h ALA 27 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1pyt h ALA 27 CO 0.14 -0.05 -2.03 0.39 0.00 0.00 0.00 179.25 177.70 1pyt n GLU 28 N -2.81 0.71 -3.03 0.00 1.02 0.24 -4.48 120.64 112.28 1pyt n GLU 28 Ca -0.02 0.24 -0.25 0.00 -0.02 0.00 0.00 57.16 57.10 1pyt n GLU 28 Cb 0.11 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 1pyt n GLU 28 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pyt n HIS 29 N -3.30 3.28 -0.19 -0.32 8.25 0.55 -4.90 115.22 118.60 1pyt n HIS 29 Ca -0.31 -3.97 0.29 0.00 -0.26 0.00 0.00 57.72 53.47 1pyt n HIS 29 Cb 1.05 -0.48 0.73 0.00 1.12 0.00 0.00 29.99 32.40 1pyt n HIS 29 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1pyt h PRO 30 N 3.11 0.00 0.00 -0.41 0.13 -1.64 0.28 132.00 133.47 1pyt h PRO 30 Ca 0.13 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 1pyt h PRO 30 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1pyt h PRO 30 CO 0.76 0.00 -0.34 -0.56 -0.23 0.00 0.00 178.00 177.63 1pyt h GLN 31 N 0.00 0.00 0.00 0.86 -0.00 -1.90 -3.38 115.11 110.68 1pyt h GLN 31 Ca 0.43 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.77 1pyt h GLN 31 Cb 1.74 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 29.17 1pyt h GLN 31 CO -0.00 0.15 -2.18 -0.11 -0.00 0.00 0.00 178.83 176.69 1pyt n LEU 32 N -3.07 1.64 -4.48 0.06 7.94 0.87 -4.72 117.00 115.24 1pyt n LEU 32 Ca 0.02 -0.06 -0.30 0.00 -1.11 0.00 0.00 56.01 54.56 1pyt n LEU 32 Cb 0.60 -0.22 -0.12 0.00 0.53 0.00 0.00 43.42 44.21 1pyt n LEU 32 CO 0.37 0.66 -0.49 -0.69 -1.11 0.00 0.00 177.39 176.12 1pyt s VAL 33 N -2.41 2.82 -0.12 1.96 1.01 -0.52 -0.87 120.40 122.27 1pyt s VAL 33 Ca -0.19 -1.39 -0.08 0.00 0.00 0.00 0.00 61.98 60.31 1pyt s VAL 33 Cb 0.06 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.22 1pyt s VAL 33 CO 0.58 0.18 0.29 -0.94 0.00 0.00 0.00 175.10 175.21 1pyt s SER 34 N -1.90 -0.32 -0.39 3.32 1.04 -0.46 -4.59 113.70 110.41 1pyt s SER 34 Ca 0.17 0.60 -0.15 0.00 0.48 0.00 0.00 55.95 57.05 1pyt s SER 34 Cb -0.11 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1pyt s SER 34 CO 0.08 -0.14 0.32 -0.75 0.98 0.00 0.00 173.24 173.74 1pyt s LYS 35 N 0.73 3.13 0.01 4.02 2.20 -1.26 0.09 119.74 128.66 1pyt s LYS 35 Ca -0.05 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 1pyt s LYS 35 Cb -0.06 -3.93 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 1pyt s LYS 35 CO -0.05 -0.70 0.21 -0.51 -0.36 0.00 0.00 175.35 173.94 1pyt s LEU 36 N 1.80 4.36 -0.28 5.43 1.43 0.19 -4.95 118.68 126.66 1pyt s LEU 36 Ca 0.07 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1pyt s LEU 36 Cb -0.18 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.34 1pyt s LEU 36 CO 0.11 0.23 0.01 -1.58 0.23 0.00 0.00 176.35 175.36 1pyt s GLN 37 N -2.05 2.86 0.00 1.70 0.74 -1.26 -1.01 119.66 120.64 1pyt s GLN 37 Ca 0.29 -0.99 0.27 0.00 0.05 0.00 0.00 55.36 54.99 1pyt s GLN 37 Cb -0.13 -3.20 0.83 0.00 1.10 0.00 0.00 33.01 31.61 1pyt s GLN 37 CO 0.20 -0.47 1.62 0.44 -0.55 0.00 0.00 175.29 176.53 1pyt n ILE 38 N 4.75 0.00 -3.79 -2.34 -5.35 -0.05 -4.99 119.36 107.59 1pyt n ILE 38 Ca -0.15 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1pyt n ILE 38 Cb 0.47 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 1pyt n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pyt n GLY 39 N 1.24 -0.45 3.08 3.28 0.00 -1.25 -4.78 105.19 106.31 1pyt n GLY 39 Ca 0.16 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 1pyt n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyt s ARG 40 N -2.00 0.65 0.65 1.61 0.52 -1.26 -1.83 118.95 117.29 1pyt s ARG 40 Ca 0.00 -0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 1pyt s ARG 40 Cb 0.00 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.91 1pyt s ARG 40 CO 0.00 0.12 1.05 -1.54 0.02 0.00 0.00 175.30 174.95 1pyt s SER 41 N -1.27 5.89 0.30 0.23 1.04 0.08 -4.70 113.70 115.27 1pyt s SER 41 Ca -0.04 1.28 0.02 0.00 0.48 0.00 0.00 55.95 57.69 1pyt s SER 41 Cb -0.08 -2.23 0.73 0.00 0.10 0.00 0.00 66.02 64.54 1pyt s SER 41 CO 0.01 -1.06 1.49 0.00 0.98 0.00 0.00 173.24 174.65 1pyt n TYR 42 N -2.85 0.61 0.80 5.02 9.36 -1.26 0.10 117.16 128.94 1pyt n TYR 42 Ca 0.06 1.14 0.03 0.00 3.32 0.00 0.00 57.90 62.46 1pyt n TYR 42 Cb 0.55 -1.21 0.12 0.00 -0.63 0.00 0.00 39.34 38.17 1pyt n TYR 42 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1pyt n GLU 43 N -5.41 1.91 -0.68 2.98 1.02 -1.26 -4.92 120.64 114.28 1pyt n GLU 43 Ca 0.22 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 1pyt n GLU 43 Cb 0.73 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1pyt n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pyt n GLY 44 N 0.50 0.83 3.76 0.62 0.00 0.28 -5.06 105.19 106.12 1pyt n GLY 44 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1pyt n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyt s ARG 45 N -0.32 4.66 0.62 1.61 0.52 -1.25 -4.66 118.95 120.13 1pyt s ARG 45 Ca 0.00 1.73 -0.17 0.00 -0.52 0.00 0.00 55.73 56.77 1pyt s ARG 45 Cb 0.00 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 1pyt s ARG 45 CO 0.00 0.25 1.14 -1.25 0.02 0.00 0.00 175.30 175.46 1pyt s PRO 46 N -1.45 2.91 -0.34 3.54 0.04 -1.26 -0.74 135.00 137.69 1pyt s PRO 46 Ca 0.44 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1pyt s PRO 46 Cb -0.30 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.36 1pyt s PRO 46 CO 0.39 -1.20 0.08 0.42 0.04 0.00 0.00 177.00 176.73 1pyt s ILE 47 N -2.01 3.04 0.12 0.56 1.01 -0.76 -4.80 121.20 118.35 1pyt s ILE 47 Ca 0.71 -1.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 1pyt s ILE 47 Cb -0.24 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 1pyt s ILE 47 CO 0.36 -0.36 0.39 -0.31 0.00 0.00 0.00 174.94 175.02 1pyt s TYR 48 N 1.18 3.52 -0.05 3.97 2.02 -1.26 -0.87 117.35 125.86 1pyt s TYR 48 Ca 0.01 0.66 0.02 0.00 -0.37 0.00 0.00 57.07 57.39 1pyt s TYR 48 Cb -0.21 -2.07 0.01 0.00 -0.40 0.00 0.00 41.96 39.29 1pyt s TYR 48 CO -0.03 0.47 -0.10 0.08 -1.57 0.00 0.00 175.55 174.40 1pyt s VAL 49 N -1.55 0.89 -0.17 0.71 1.01 -0.18 -4.48 120.40 116.64 1pyt s VAL 49 Ca 0.38 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1pyt s VAL 49 Cb -0.13 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1pyt s VAL 49 CO 0.21 0.29 0.24 -0.76 0.00 0.00 0.00 175.10 175.09 1pyt s LEU 50 N 0.54 4.24 -0.24 3.92 1.02 0.06 -0.64 118.68 127.59 1pyt s LEU 50 Ca -0.10 0.43 -0.06 0.00 0.02 0.00 0.00 54.13 54.43 1pyt s LEU 50 Cb -0.13 -2.28 -0.02 0.00 0.02 0.00 0.00 46.19 43.78 1pyt s LEU 50 CO 0.02 0.14 0.01 -0.75 0.02 0.00 0.00 176.35 175.79 1pyt s LYS 51 N 0.34 3.49 -0.29 1.70 2.20 0.11 -0.17 119.74 127.13 1pyt s LYS 51 Ca 0.14 -0.57 -0.10 0.00 -0.36 0.00 0.00 55.97 55.08 1pyt s LYS 51 Cb -0.12 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1pyt s LYS 51 CO 0.02 -0.20 0.16 -0.06 -0.36 0.00 0.00 175.35 174.91 1pyt s PHE 52 N 1.54 3.18 0.16 4.03 0.40 0.05 -1.36 117.98 125.98 1pyt s PHE 52 Ca 0.06 -0.19 -0.10 0.00 -0.60 0.00 0.00 56.93 56.09 1pyt s PHE 52 Cb -0.15 -2.36 -0.00 0.00 0.51 0.00 0.00 43.02 41.02 1pyt s PHE 52 CO 0.00 -0.30 0.31 0.45 0.70 0.00 0.00 175.22 176.38 1pyt s SER 53 N 1.69 0.01 0.00 1.36 0.15 -0.05 -2.27 113.70 114.59 1pyt s SER 53 Ca 0.06 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1pyt s SER 53 Cb -0.16 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1pyt s SER 53 CO 0.08 -0.90 0.00 0.35 1.20 0.00 0.00 173.24 173.97 1pyt n THR 54 N -0.22 0.00 -2.23 6.45 -2.24 -1.26 -4.38 114.28 110.40 1pyt n THR 54 Ca -0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1pyt n THR 54 Cb 0.63 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1pyt n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pyt n GLY 55 N 2.11 0.14 0.21 3.38 0.00 -1.26 -5.09 105.19 104.68 1pyt n GLY 55 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 46.02 44.60 1pyt n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyt n GLY 56 N 0.00 -1.79 2.96 -0.02 0.00 -1.26 -4.80 105.19 100.28 1pyt n GLY 56 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1pyt n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pyt s SER 57 N -4.37 4.02 -0.58 1.61 0.15 -1.26 -4.80 113.70 108.47 1pyt s SER 57 Ca 0.00 -1.29 -0.01 0.00 0.70 0.00 0.00 55.95 55.35 1pyt s SER 57 Cb 0.00 -1.26 -0.01 0.00 -1.71 0.00 0.00 66.02 63.04 1pyt s SER 57 CO 0.00 -0.24 0.49 -3.20 1.20 0.00 0.00 173.24 171.49 1pyt n ASN 58 N 4.61 -2.56 -4.82 5.45 4.05 -1.26 -5.03 115.26 115.71 1pyt n ASN 58 Ca -0.11 -0.32 -0.31 0.00 0.45 0.00 0.00 54.58 54.29 1pyt n ASN 58 Cb 0.43 -2.82 0.06 0.00 1.23 0.00 0.00 39.78 38.68 1pyt n ASN 58 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1pyt s ARG 59 N -4.45 2.76 0.73 1.20 0.52 -1.26 -4.92 118.95 113.53 1pyt s ARG 59 Ca 0.05 0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 56.01 1pyt s ARG 59 Cb -0.01 -1.97 0.04 0.00 0.52 0.00 0.00 34.95 33.53 1pyt s ARG 59 CO 0.37 -1.21 1.24 -2.14 0.02 0.00 0.00 175.30 173.58 1pyt s PRO 60 N -5.06 2.10 0.22 3.54 0.02 -1.26 -4.62 135.00 129.93 1pyt s PRO 60 Ca 0.59 1.89 -0.00 0.00 0.02 0.00 0.00 61.00 63.49 1pyt s PRO 60 Cb -0.14 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1pyt s PRO 60 CO 0.55 -1.90 0.16 0.00 -0.33 0.00 0.00 177.00 175.48 1pyt s ALA 61 N -1.80 1.21 -0.02 -1.55 0.00 -0.24 -0.54 121.76 118.82 1pyt s ALA 61 Ca 0.77 -1.72 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1pyt s ALA 61 Cb -0.33 1.39 -0.02 0.00 0.00 0.00 0.00 23.12 24.17 1pyt s ALA 61 CO 0.45 -0.61 -0.25 0.42 0.00 0.00 0.00 175.76 175.77 1pyt s ILE 62 N -4.07 1.97 -0.12 0.00 -1.09 0.24 -1.37 121.20 116.76 1pyt s ILE 62 Ca 0.39 -1.07 -0.01 0.00 -2.23 0.00 0.00 60.65 57.74 1pyt s ILE 62 Cb 0.06 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 1pyt s ILE 62 CO 0.14 0.56 -0.11 0.86 -1.23 0.00 0.00 174.94 175.16 1pyt s TRP 63 N -0.55 2.86 -0.17 3.97 -0.11 -0.37 -0.99 118.94 123.58 1pyt s TRP 63 Ca 0.09 -0.47 -0.02 0.00 1.22 0.00 0.00 56.10 56.92 1pyt s TRP 63 Cb -0.10 -1.84 0.05 0.00 -1.50 0.00 0.00 33.47 30.08 1pyt s TRP 63 CO -0.01 -0.09 0.01 0.42 -4.62 0.00 0.00 176.95 172.66 1pyt s ILE 64 N 0.17 0.66 -0.06 5.86 1.01 -0.69 0.33 121.20 128.48 1pyt s ILE 64 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1pyt s ILE 64 Cb -0.15 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1pyt s ILE 64 CO 0.04 -0.05 -0.13 1.51 0.00 0.00 0.00 174.94 176.31 1pyt s ASP 65 N 1.81 4.14 0.30 3.58 1.47 -0.21 -0.02 116.67 127.75 1pyt s ASP 65 Ca 0.00 -0.17 0.04 0.00 1.18 0.00 0.00 52.55 53.61 1pyt s ASP 65 Cb -0.16 -0.93 -0.06 0.00 -0.34 0.00 0.00 42.92 41.43 1pyt s ASP 65 CO -0.07 0.34 0.03 -0.76 0.68 0.00 0.00 175.17 175.39 1pyt s LEU 66 N -0.71 2.24 -1.67 2.11 1.02 0.50 -0.53 118.68 121.65 1pyt s LEU 66 Ca 0.11 -1.32 -0.01 0.00 0.02 0.00 0.00 54.13 52.93 1pyt s LEU 66 Cb -0.11 -0.41 0.00 0.00 0.02 0.00 0.00 46.19 45.69 1pyt s LEU 66 CO 0.01 -0.55 0.07 0.61 0.02 0.00 0.00 176.35 176.52 1pyt n GLY 67 N -0.63 -0.45 0.23 -3.19 0.00 -1.26 -2.03 105.19 97.86 1pyt n GLY 67 Ca -0.03 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1pyt n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pyt h ILE 68 N -0.17 0.00 -3.70 -0.61 2.10 -1.90 -3.01 117.51 110.22 1pyt h ILE 68 Ca -0.47 -0.72 -0.65 0.00 1.08 0.00 0.00 64.86 64.10 1pyt h ILE 68 Cb 1.35 1.70 -0.39 0.00 -1.09 0.00 0.00 36.82 38.39 1pyt h ILE 68 CO 0.55 0.00 -0.76 -1.00 -1.08 0.00 0.00 178.15 175.87 1pyt s HIS 69 N -3.40 3.28 0.61 2.19 3.76 -1.26 -4.65 115.29 115.82 1pyt s HIS 69 Ca 0.05 -2.54 0.32 0.00 -0.15 0.00 0.00 55.06 52.74 1pyt s HIS 69 Cb 0.07 -2.34 1.86 0.00 1.11 0.00 0.00 32.58 33.28 1pyt s HIS 69 CO 0.60 -0.90 2.20 0.66 -0.85 0.00 0.00 174.74 176.45 1pyt h SER 70 N 7.74 0.00 0.73 1.40 4.64 -1.69 -2.96 113.55 123.41 1pyt h SER 70 Ca -0.11 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1pyt h SER 70 Cb 1.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1pyt h SER 70 CO 0.48 0.00 -0.32 0.08 -0.87 0.00 0.00 176.83 176.21 1pyt h ARG 71 N 0.00 0.00 -3.62 4.77 0.11 -1.67 -3.37 114.38 110.60 1pyt h ARG 71 Ca 0.03 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.63 1pyt h ARG 71 Cb 0.21 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.31 1pyt h ARG 71 CO -0.00 0.32 2.73 0.39 0.10 0.00 0.00 179.97 183.51 1pyt n GLU 72 N -3.59 2.21 0.26 0.08 1.02 -1.12 -4.73 120.64 114.76 1pyt n GLU 72 Ca -0.01 -1.68 0.14 0.00 -0.02 0.00 0.00 57.16 55.59 1pyt n GLU 72 Cb 0.45 -2.63 0.76 0.00 -0.02 0.00 0.00 31.44 30.00 1pyt n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1pyt h TRP 73 N 6.45 0.00 0.00 -0.32 4.06 -1.79 -1.72 115.95 122.63 1pyt h TRP 73 Ca 0.53 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.47 1pyt h TRP 73 Cb 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1pyt h TRP 73 CO 1.78 0.00 -0.04 0.97 -3.56 0.00 0.00 178.44 177.60 1pyt h ILE 74 N 0.00 0.09 0.06 1.49 6.09 -1.86 -3.13 117.51 120.25 1pyt h ILE 74 Ca 0.00 -0.73 -0.25 0.00 -1.37 0.00 0.00 64.86 62.51 1pyt h ILE 74 Cb 0.31 1.67 0.00 0.00 0.47 0.00 0.00 36.82 39.28 1pyt h ILE 74 CO 0.00 0.04 -1.08 0.71 -3.07 0.00 0.00 178.15 174.75 1pyt h THR 75 N 0.00 1.46 -0.06 2.19 1.35 -1.60 -1.97 112.91 114.28 1pyt h THR 75 Ca -0.00 -2.76 -0.03 0.00 -0.55 0.00 0.00 66.41 63.07 1pyt h THR 75 Cb 0.67 2.68 -0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1pyt h THR 75 CO 0.00 0.81 -0.09 1.56 -0.25 0.00 0.00 175.52 177.56 1pyt h GLN 76 N 0.14 0.16 -0.26 4.72 7.50 -1.72 -1.32 115.11 124.34 1pyt h GLN 76 Ca -0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 58.65 58.93 1pyt h GLN 76 Cb 1.76 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 29.28 1pyt h GLN 76 CO 0.18 0.65 0.04 0.00 -1.50 0.00 0.00 178.83 178.20 1pyt h ALA 77 N 0.51 1.60 0.00 3.87 0.00 -1.62 0.16 119.26 123.77 1pyt h ALA 77 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pyt h ALA 77 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pyt h ALA 77 CO 0.02 0.30 -0.15 1.79 0.00 0.00 0.00 179.25 181.21 1pyt h THR 78 N 0.37 0.00 -0.28 0.00 1.35 -1.33 -3.00 112.91 110.01 1pyt h THR 78 Ca 0.09 -0.83 -0.18 0.00 -0.55 0.00 0.00 66.41 64.95 1pyt h THR 78 Cb 0.18 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1pyt h THR 78 CO -0.00 0.00 -0.52 1.23 -0.25 0.00 0.00 175.52 175.98 1pyt h GLY 79 N 4.17 0.90 1.07 5.82 0.00 0.45 0.58 103.07 116.06 1pyt h GLY 79 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 47.33 46.23 1pyt h GLY 79 CO 0.00 0.92 0.11 -2.08 0.00 0.00 0.00 176.54 175.49 1pyt h VAL 80 N 0.64 1.26 0.03 4.60 2.07 -1.11 -2.37 116.25 121.36 1pyt h VAL 80 Ca 0.02 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1pyt h VAL 80 Cb 1.11 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1pyt h VAL 80 CO 0.11 0.39 -0.02 -0.25 0.02 0.00 0.00 177.57 177.83 1pyt h TRP 81 N 1.02 -0.04 -0.86 1.57 7.01 -1.36 -2.22 115.95 121.07 1pyt h TRP 81 Ca 0.20 -0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.42 1pyt h TRP 81 Cb 0.44 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.46 1pyt h TRP 81 CO 0.03 0.27 0.59 0.74 -2.79 0.00 0.00 178.44 177.28 1pyt h PHE 82 N -0.35 0.28 0.24 2.65 -1.00 -0.76 0.20 116.94 118.21 1pyt h PHE 82 Ca -0.00 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1pyt h PHE 82 Cb 0.33 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1pyt h PHE 82 CO 0.03 0.07 -0.12 0.00 -1.61 0.00 0.00 178.31 176.69 1pyt h ALA 83 N 1.60 -0.32 -0.46 2.45 0.00 -0.87 -1.60 119.26 120.07 1pyt h ALA 83 Ca 0.43 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1pyt h ALA 83 Cb 1.35 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1pyt h ALA 83 CO -0.10 -0.67 0.10 -0.22 0.00 0.00 0.00 179.25 178.37 1pyt h LYS 84 N -0.36 0.74 -0.19 0.00 3.11 -0.70 -3.04 116.57 116.14 1pyt h LYS 84 Ca -0.03 -0.18 0.05 0.00 -2.81 0.00 0.00 60.65 57.67 1pyt h LYS 84 Cb 0.27 -0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.34 1pyt h LYS 84 CO 0.05 0.74 -0.44 -0.22 -2.81 0.00 0.00 179.45 176.78 1pyt h LYS 85 N 0.61 -0.45 -1.07 1.90 1.63 -0.56 -1.30 116.57 117.33 1pyt h LYS 85 Ca 0.14 0.03 0.29 0.00 -0.85 0.00 0.00 60.65 60.26 1pyt h LYS 85 Cb 0.34 0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 31.97 1pyt h LYS 85 CO 0.00 -0.30 0.68 0.74 -3.45 0.00 0.00 179.45 177.13 1pyt h PHE 86 N -0.47 0.68 0.00 1.91 -1.00 -1.17 0.43 116.94 117.33 1pyt h PHE 86 Ca 0.08 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1pyt h PHE 86 Cb 0.62 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1pyt h PHE 86 CO -0.53 0.01 -0.65 1.79 -1.61 0.00 0.00 178.31 177.32 1pyt h THR 87 N 0.36 0.00 0.15 -1.55 1.35 -1.26 -3.23 112.91 108.74 1pyt h THR 87 Ca 0.64 -0.84 -0.33 0.00 -0.55 0.00 0.00 66.41 65.33 1pyt h THR 87 Cb 1.64 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1pyt h THR 87 CO -0.35 0.00 -1.64 -0.33 -0.25 0.00 0.00 175.52 172.95 1pyt h GLU 88 N 0.00 0.33 0.00 4.72 4.39 -0.13 -3.36 114.58 120.52 1pyt h GLU 88 Ca 0.00 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1pyt h GLU 88 Cb 0.92 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1pyt h GLU 88 CO 0.00 1.21 -0.34 -0.25 -1.16 0.00 0.00 179.01 178.48 1pyt n ASP 89 N -3.52 0.34 -4.69 1.42 9.92 -0.83 -4.76 116.55 114.43 1pyt n ASP 89 Ca -0.21 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.63 1pyt n ASP 89 Cb 1.06 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.52 1pyt n ASP 89 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1pyt s TYR 90 N -3.00 3.42 0.00 1.24 5.04 -1.22 -1.07 117.35 121.76 1pyt s TYR 90 Ca 0.12 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.23 1pyt s TYR 90 Cb 0.18 -3.26 0.00 0.00 0.35 0.00 0.00 41.96 39.23 1pyt s TYR 90 CO 0.64 -0.54 0.00 0.41 -1.34 0.00 0.00 175.55 174.72 1pyt n GLY 91 N 3.17 0.63 2.03 8.97 0.00 -1.26 -4.84 105.19 113.90 1pyt n GLY 91 Ca 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1pyt n GLY 91 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pyt n GLN 92 N -2.06 0.00 -3.14 1.61 7.27 -1.16 -5.04 117.38 114.87 1pyt n GLN 92 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1pyt n GLN 92 Cb 0.15 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.73 1pyt n GLN 92 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1pyt s ASP 93 N -3.90 6.27 0.57 1.69 2.15 -0.23 -4.93 116.67 118.29 1pyt s ASP 93 Ca 0.00 -0.58 0.28 0.00 0.43 0.00 0.00 52.55 52.68 1pyt s ASP 93 Cb 0.00 -2.30 1.53 0.00 -0.30 0.00 0.00 42.92 41.84 1pyt s ASP 93 CO 0.00 -0.81 2.01 1.55 -0.17 0.00 0.00 175.17 177.74 1pyt h PRO 94 N 8.92 0.00 -0.14 4.34 0.13 -1.96 0.23 132.00 143.52 1pyt h PRO 94 Ca -0.26 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1pyt h PRO 94 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.23 1pyt h PRO 94 CO 0.91 0.00 -0.55 0.77 -0.23 0.00 0.00 178.00 178.91 1pyt h SER 95 N 0.00 0.72 0.16 1.44 0.02 -1.95 -2.35 113.55 111.59 1pyt h SER 95 Ca 0.17 -0.62 -0.26 0.00 -0.84 0.00 0.00 61.79 60.24 1pyt h SER 95 Cb 0.84 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 63.18 1pyt h SER 95 CO -0.00 1.22 -1.22 0.15 -1.14 0.00 0.00 176.83 175.84 1pyt h PHE 96 N 0.27 0.62 -0.70 3.45 3.57 -1.78 -3.23 116.94 119.14 1pyt h PHE 96 Ca -0.03 -0.45 0.12 0.00 3.53 0.00 0.00 57.97 61.13 1pyt h PHE 96 Cb 1.18 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 1pyt h PHE 96 CO 0.10 1.47 0.29 1.15 -2.23 0.00 0.00 178.31 179.09 1pyt h THR 97 N -0.20 0.73 0.00 4.41 2.02 -0.66 0.27 112.91 119.49 1pyt h THR 97 Ca -0.23 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1pyt h THR 97 Cb 1.83 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1pyt h THR 97 CO 0.15 0.09 -0.09 0.00 0.37 0.00 0.00 175.52 176.03 1pyt h ALA 98 N 1.48 1.48 0.05 6.16 0.00 -1.47 -2.87 119.26 124.08 1pyt h ALA 98 Ca 0.37 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1pyt h ALA 98 Cb 0.49 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1pyt h ALA 98 CO -0.34 0.12 -0.42 0.82 0.00 0.00 0.00 179.25 179.43 1pyt h ILE 99 N 0.00 1.58 0.00 0.00 2.04 -0.52 -3.29 117.51 117.32 1pyt h ILE 99 Ca -0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1pyt h ILE 99 Cb 0.22 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1pyt h ILE 99 CO 0.01 0.62 0.00 0.18 0.00 0.00 0.00 178.15 178.96 1pyt n LEU 100 N -4.37 0.00 -0.00 1.44 4.77 -0.50 -1.96 117.00 116.38 1pyt n LEU 100 Ca -0.11 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.95 1pyt n LEU 100 Cb 0.62 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1pyt n LEU 100 CO 0.42 0.00 -0.18 0.47 -1.33 0.00 0.00 177.39 176.77 1pyt n ASP 101 N -0.69 0.84 -0.00 -1.43 8.00 -1.20 -4.14 116.55 117.93 1pyt n ASP 101 Ca 0.04 -0.70 -0.00 0.00 0.71 0.00 0.00 54.79 54.84 1pyt n ASP 101 Cb 0.02 1.17 -0.01 0.00 -0.02 0.00 0.00 41.12 42.29 1pyt n ASP 101 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pyt n SER 102 N -1.55 4.83 -3.52 -2.24 7.64 -0.83 -5.03 113.62 112.93 1pyt n SER 102 Ca 0.02 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.68 1pyt n SER 102 Cb 0.30 0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 64.13 1pyt n SER 102 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1pyt n MET 103 N -1.85 0.58 -4.30 1.43 2.81 -0.90 -4.19 117.12 110.69 1pyt n MET 103 Ca -0.01 -3.06 -0.23 0.00 -1.81 0.00 0.00 57.70 52.60 1pyt n MET 103 Cb 0.35 1.78 -0.12 0.00 -0.71 0.00 0.00 33.22 34.52 1pyt n MET 103 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1pyt s ASP 104 N -3.21 2.57 -0.14 7.83 1.01 0.30 -4.60 116.67 120.44 1pyt s ASP 104 Ca 0.21 -0.77 0.02 0.00 0.71 0.00 0.00 52.55 52.72 1pyt s ASP 104 Cb 0.01 -0.14 0.01 0.00 1.01 0.00 0.00 42.92 43.81 1pyt s ASP 104 CO 0.15 0.01 -0.21 -0.63 0.21 0.00 0.00 175.17 174.69 1pyt s ILE 105 N -1.60 1.99 -0.23 0.77 1.01 -0.96 -0.59 121.20 121.59 1pyt s ILE 105 Ca 0.11 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1pyt s ILE 105 Cb -0.08 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1pyt s ILE 105 CO 0.05 0.54 0.06 -0.36 0.00 0.00 0.00 174.94 175.23 1pyt s PHE 106 N 0.84 3.11 -0.21 3.97 0.08 -0.16 -0.77 117.98 124.84 1pyt s PHE 106 Ca -0.07 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 1pyt s PHE 106 Cb -0.15 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1pyt s PHE 106 CO -0.02 -0.21 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.60 1pyt s LEU 107 N 1.22 2.58 -0.59 -0.37 2.96 0.76 -1.70 118.68 123.54 1pyt s LEU 107 Ca 0.04 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1pyt s LEU 107 Cb -0.14 -1.61 0.15 0.00 0.50 0.00 0.00 46.19 45.09 1pyt s LEU 107 CO 0.03 -0.02 0.45 -0.70 -1.32 0.00 0.00 176.35 174.78 1pyt s GLU 108 N 1.37 2.69 0.23 1.98 2.12 0.97 -0.76 118.70 127.29 1pyt s GLU 108 Ca 0.05 -2.17 -0.05 0.00 0.36 0.00 0.00 54.97 53.16 1pyt s GLU 108 Cb -0.14 -3.93 0.22 0.00 0.26 0.00 0.00 34.13 30.54 1pyt s GLU 108 CO -0.08 -1.20 1.72 0.82 -0.54 0.00 0.00 175.26 175.98 1pyt h ILE 109 N 5.60 1.25 -2.95 -3.70 2.04 -1.83 0.14 117.51 118.06 1pyt h ILE 109 Ca -0.08 -1.05 -0.61 0.00 1.00 0.00 0.00 64.86 64.12 1pyt h ILE 109 Cb 1.02 0.80 -0.40 0.00 -0.74 0.00 0.00 36.82 37.50 1pyt h ILE 109 CO 0.78 0.38 -0.74 -0.69 0.00 0.00 0.00 178.15 177.88 1pyt s VAL 110 N -5.04 1.55 0.33 1.67 1.01 -1.26 -4.02 120.40 114.63 1pyt s VAL 110 Ca -0.11 -2.84 0.09 0.00 0.00 0.00 0.00 61.98 59.12 1pyt s VAL 110 Cb 0.14 -2.07 0.07 0.00 0.00 0.00 0.00 36.38 34.53 1pyt s VAL 110 CO 0.83 -0.95 1.77 0.74 0.00 0.00 0.00 175.10 177.50 1pyt h THR 111 N 5.07 1.28 -3.15 3.92 2.02 -1.54 -3.36 112.91 117.14 1pyt h THR 111 Ca 0.04 -1.32 -0.62 0.00 0.77 0.00 0.00 66.41 65.27 1pyt h THR 111 Cb 0.90 1.59 -0.41 0.00 -1.74 0.00 0.00 68.15 68.49 1pyt h THR 111 CO 0.51 0.39 -0.66 0.21 0.37 0.00 0.00 175.52 176.35 1pyt s ASN 112 N -6.89 4.14 0.25 4.18 2.47 -1.14 -4.87 114.94 113.08 1pyt s ASN 112 Ca -0.04 -3.17 0.02 0.00 0.42 0.00 0.00 52.86 50.09 1pyt s ASN 112 Cb 0.14 -1.43 0.30 0.00 -1.45 0.00 0.00 41.25 38.81 1pyt s ASN 112 CO 0.75 -0.19 1.62 1.55 -3.72 0.00 0.00 177.10 177.11 1pyt h PRO 113 N 6.19 0.41 -0.17 0.43 0.13 -1.89 -2.11 132.00 135.00 1pyt h PRO 113 Ca 0.02 -0.21 -0.09 0.00 -0.87 0.00 0.00 66.00 64.85 1pyt h PRO 113 Cb 0.86 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 1pyt h PRO 113 CO 0.63 0.77 -0.24 -0.44 -0.23 0.00 0.00 178.00 178.50 1pyt h ASP 114 N 0.34 0.49 -0.30 1.44 3.32 -1.95 0.12 116.42 119.88 1pyt h ASP 114 Ca 0.03 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1pyt h ASP 114 Cb 0.90 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1pyt h ASP 114 CO 0.08 0.91 0.19 1.23 -1.72 0.00 0.00 179.24 179.93 1pyt h GLY 115 N 0.09 0.43 0.99 2.75 0.00 -1.76 0.96 103.07 106.53 1pyt h GLY 115 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1pyt h GLY 115 CO 0.05 0.16 0.42 -2.75 0.00 0.00 0.00 176.54 174.43 1pyt h PHE 116 N 0.40 0.80 -0.40 5.60 3.57 -1.28 -0.87 116.94 124.76 1pyt h PHE 116 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1pyt h PHE 116 Cb -0.03 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1pyt h PHE 116 CO -0.05 0.50 0.06 0.00 -2.23 0.00 0.00 178.31 176.59 1pyt h ALA 117 N 1.24 1.37 -0.33 2.41 0.00 -0.47 -2.55 119.26 120.93 1pyt h ALA 117 Ca 0.24 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1pyt h ALA 117 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1pyt h ALA 117 CO -0.06 0.44 -0.29 0.35 0.00 0.00 0.00 179.25 179.70 1pyt h PHE 118 N 0.58 0.79 0.00 0.00 3.57 0.49 -2.80 116.94 119.57 1pyt h PHE 118 Ca 0.13 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1pyt h PHE 118 Cb 0.27 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1pyt h PHE 118 CO 0.01 0.90 -0.00 1.79 -2.23 0.00 0.00 178.31 178.78 1pyt h THR 119 N 0.59 0.00 0.00 4.41 1.35 -0.81 0.17 112.91 118.61 1pyt h THR 119 Ca 0.07 -0.31 -0.23 0.00 -0.55 0.00 0.00 66.41 65.39 1pyt h THR 119 Cb 0.79 1.31 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 1pyt h THR 119 CO 0.06 0.00 -1.76 1.41 -0.25 0.00 0.00 175.52 174.99 1pyt n HIS 120 N -3.09 0.68 -0.10 4.73 8.25 -1.13 -3.49 115.22 121.08 1pyt n HIS 120 Ca -0.01 0.24 -0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1pyt n HIS 120 Cb 0.21 -1.04 -0.15 0.00 1.12 0.00 0.00 29.99 30.13 1pyt n HIS 120 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pyt n SER 121 N -2.84 0.46 0.04 0.41 3.41 -0.98 -4.94 113.62 109.18 1pyt n SER 121 Ca -0.16 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1pyt n SER 121 Cb 0.94 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 1pyt n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pyt n GLN 122 N -2.87 0.00 -3.60 4.33 1.13 0.55 -5.05 117.38 111.86 1pyt n GLN 122 Ca -0.35 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.42 1pyt n GLN 122 Cb 1.12 -0.39 -0.15 0.00 0.11 0.00 0.00 30.24 30.93 1pyt n GLN 122 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1pyt s ASN 123 N -5.44 3.65 0.43 1.08 2.47 -0.98 -5.01 114.94 111.14 1pyt s ASN 123 Ca 0.00 -1.52 0.23 0.00 0.42 0.00 0.00 52.86 51.99 1pyt s ASN 123 Cb 0.00 -0.54 1.22 0.00 -1.45 0.00 0.00 41.25 40.49 1pyt s ASN 123 CO 0.00 -0.42 1.77 -0.09 -3.72 0.00 0.00 177.10 174.64 1pyt h ARG 124 N 8.13 0.28 -0.68 0.43 9.65 -1.81 0.73 114.38 131.12 1pyt h ARG 124 Ca -0.15 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1pyt h ARG 124 Cb 1.01 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1pyt h ARG 124 CO 0.44 0.18 0.00 1.28 2.80 0.00 0.00 179.97 184.67 1pyt n LEU 125 N -4.54 4.05 -4.76 3.80 7.99 -1.26 -4.54 117.00 117.74 1pyt n LEU 125 Ca 0.26 -2.05 -0.41 0.00 -0.01 0.00 0.00 56.01 53.80 1pyt n LEU 125 Cb 0.99 -0.58 -0.03 0.00 -0.11 0.00 0.00 43.42 43.69 1pyt n LEU 125 CO 0.28 0.55 0.95 0.86 -1.51 0.00 0.00 177.39 178.52 1pyt s TRP 126 N -2.07 3.17 0.00 -1.77 -0.11 0.25 -4.82 118.94 113.59 1pyt s TRP 126 Ca 0.38 1.43 0.00 0.00 1.22 0.00 0.00 56.10 59.13 1pyt s TRP 126 Cb 0.27 -3.60 0.00 0.00 -1.50 0.00 0.00 33.47 28.64 1pyt s TRP 126 CO 0.13 -1.65 0.00 2.89 -4.62 0.00 0.00 176.95 173.70 1pyt n ARG 127 N 1.15 2.83 -1.51 5.86 1.85 -1.26 -2.14 116.66 123.44 1pyt n ARG 127 Ca 0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 1pyt n ARG 127 Cb 0.42 -0.68 0.08 0.00 -1.05 0.00 0.00 32.46 31.23 1pyt n ARG 127 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1pyt n LYS 128 N -0.88 -0.02 0.00 2.89 5.02 -1.26 -3.56 118.16 120.34 1pyt n LYS 128 Ca 0.00 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.91 1pyt n LYS 128 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1pyt n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pyt n THR 129 N -2.39 0.00 -1.81 -0.18 -2.24 -0.49 -4.36 114.28 102.80 1pyt n THR 129 Ca 0.09 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 1pyt n THR 129 Cb 0.32 -1.98 0.08 0.00 -2.10 0.00 0.00 70.33 66.64 1pyt n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pyt n ARG 130 N -0.19 0.61 -1.28 -0.78 5.12 -1.26 -4.16 116.66 114.72 1pyt n ARG 130 Ca 0.00 -2.06 -0.31 0.00 -1.93 0.00 0.00 57.85 53.55 1pyt n ARG 130 Cb 0.00 -0.84 0.09 0.00 -1.16 0.00 0.00 32.46 30.56 1pyt n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1pyt s SER 131 N -2.12 4.48 0.10 0.55 1.04 -1.26 -4.62 113.70 111.87 1pyt s SER 131 Ca 0.23 1.77 0.08 0.00 0.48 0.00 0.00 55.95 58.51 1pyt s SER 131 Cb 0.23 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 1pyt s SER 131 CO -0.05 -2.04 -0.16 -0.69 0.98 0.00 0.00 173.24 171.28 1pyt s VAL 132 N -2.92 2.96 0.25 5.02 1.01 -1.26 -1.20 120.40 124.25 1pyt s VAL 132 Ca 0.61 -1.38 0.10 0.00 0.00 0.00 0.00 61.98 61.31 1pyt s VAL 132 Cb -0.17 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1pyt s VAL 132 CO 0.56 0.15 -0.11 -0.89 0.00 0.00 0.00 175.10 174.81 1pyt s THR 133 N -1.12 2.97 0.17 3.92 2.01 -1.26 -5.01 115.64 117.32 1pyt s THR 133 Ca 0.18 -2.04 0.02 0.00 0.31 0.00 0.00 61.69 60.16 1pyt s THR 133 Cb -0.11 -2.54 -0.14 0.00 0.01 0.00 0.00 72.50 69.72 1pyt s THR 133 CO 0.10 -0.31 1.39 0.77 -0.69 0.00 0.00 174.62 175.88 1pyt h SER 134 N 2.34 0.28 -0.38 3.53 4.64 -2.00 -3.25 113.55 118.71 1pyt h SER 134 Ca -0.43 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1pyt h SER 134 Cb 1.24 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1pyt h SER 134 CO 0.58 1.01 0.00 -1.54 -0.87 0.00 0.00 176.83 176.01 1pyt n SER 135 N -3.69 3.34 -3.47 4.97 3.41 -1.26 -4.92 113.62 112.00 1pyt n SER 135 Ca -0.04 -2.37 -0.13 0.00 -0.26 0.00 0.00 58.87 56.07 1pyt n SER 135 Cb 0.79 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1pyt n SER 135 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pyt s SER 136 N -0.65 -0.56 -0.00 4.04 0.15 -1.23 -5.02 113.70 110.43 1pyt s SER 136 Ca 0.32 0.24 0.21 0.00 0.70 0.00 0.00 55.95 57.42 1pyt s SER 136 Cb 0.22 0.54 -0.20 0.00 -1.71 0.00 0.00 66.02 64.87 1pyt s SER 136 CO 0.13 -0.78 0.87 0.18 1.20 0.00 0.00 173.24 174.84 1pyt n LEU 137 N 0.08 0.81 -4.75 3.45 4.77 -1.26 -4.31 117.00 115.79 1pyt n LEU 137 Ca -0.16 -0.38 -0.40 0.00 -0.03 0.00 0.00 56.01 55.04 1pyt n LEU 137 Cb 0.62 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1pyt n LEU 137 CO 0.16 0.20 0.70 0.00 -1.33 0.00 0.00 177.39 177.11 1pyt s VAL 139 N -0.81 5.47 0.00 0.00 1.01 -1.26 -4.61 120.40 120.20 1pyt s VAL 139 Ca 0.44 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1pyt s VAL 139 Cb -0.27 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1pyt s VAL 139 CO 0.34 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.59 1pyt n GLY 140 N 2.58 2.36 3.05 4.51 0.00 -0.34 -4.89 105.19 112.45 1pyt n GLY 140 Ca -0.18 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 1pyt n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyt s VAL 141 N -2.74 0.47 -0.68 1.61 -7.23 -1.26 -4.86 120.40 105.72 1pyt s VAL 141 Ca 0.00 -1.02 -0.26 0.00 -1.81 0.00 0.00 61.98 58.88 1pyt s VAL 141 Cb 0.00 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.38 1pyt s VAL 141 CO 0.00 -0.38 1.72 -0.62 -0.31 0.00 0.00 175.10 175.51 1pyt s ASP 142 N -1.51 5.51 0.48 4.85 -1.08 0.46 -1.40 116.67 123.99 1pyt s ASP 142 Ca -0.10 0.02 0.21 0.00 -0.52 0.00 0.00 52.55 52.16 1pyt s ASP 142 Cb -0.10 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 40.06 1pyt s ASP 142 CO 0.00 -2.25 1.96 0.00 0.52 0.00 0.00 175.17 175.40 1pyt h ALA 143 N 13.37 2.33 -0.12 3.66 0.00 -1.85 0.28 119.26 136.92 1pyt h ALA 143 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pyt h ALA 143 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1pyt h ALA 143 CO 1.24 -0.51 0.00 -1.71 0.00 0.00 0.00 179.25 178.27 1pyt n ASN 144 N -4.42 1.99 0.00 0.00 4.05 -1.26 -1.95 115.26 113.67 1pyt n ASN 144 Ca 0.12 -2.20 0.00 0.00 0.45 0.00 0.00 54.58 52.95 1pyt n ASN 144 Cb 0.57 -0.53 0.00 0.00 1.23 0.00 0.00 39.78 41.06 1pyt n ASN 144 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1pyt n ARG 145 N 0.13 0.46 0.00 1.20 1.74 0.06 -3.86 116.66 116.40 1pyt n ARG 145 Ca 0.06 -0.20 0.14 0.00 -0.77 0.00 0.00 57.85 57.08 1pyt n ARG 145 Cb 0.45 -0.65 0.58 0.00 -1.02 0.00 0.00 32.46 31.81 1pyt n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pyt n ASN 146 N -0.12 1.24 -4.83 0.55 4.05 -0.82 -4.28 115.26 111.04 1pyt n ASN 146 Ca 0.00 -1.37 -0.31 0.00 0.45 0.00 0.00 54.58 53.35 1pyt n ASN 146 Cb 0.09 0.01 0.04 0.00 1.23 0.00 0.00 39.78 41.15 1pyt n ASN 146 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1pyt s TRP 147 N -2.04 3.21 -1.54 1.20 0.52 -0.63 -0.34 118.94 119.32 1pyt s TRP 147 Ca 0.38 1.36 -0.10 0.00 0.02 0.00 0.00 56.10 57.76 1pyt s TRP 147 Cb 0.21 -2.87 -0.03 0.00 -1.15 0.00 0.00 33.47 29.63 1pyt s TRP 147 CO 0.35 -1.15 2.69 -3.47 0.02 0.00 0.00 176.95 175.39 1pyt n ASP 148 N -3.07 7.49 -3.56 2.95 2.03 -1.26 -4.40 116.55 116.73 1pyt n ASP 148 Ca 0.07 -2.72 -0.29 0.00 0.52 0.00 0.00 54.79 52.37 1pyt n ASP 148 Cb 0.54 -1.55 -0.14 0.00 -0.72 0.00 0.00 41.12 39.24 1pyt n ASP 148 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pyt s ALA 149 N 1.92 0.86 -1.91 -1.67 0.00 -1.26 -4.78 121.76 114.91 1pyt s ALA 149 Ca 0.62 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1pyt s ALA 149 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1pyt s ALA 149 CO -0.07 -1.74 0.00 0.41 0.00 0.00 0.00 175.76 174.36 1pyt n GLY 150 N 4.94 0.26 3.70 0.00 0.00 -1.26 -0.04 105.19 112.78 1pyt n GLY 150 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1pyt n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pyt n PHE 151 N -3.51 2.08 0.00 1.61 -0.00 -1.26 -2.59 117.46 113.79 1pyt n PHE 151 Ca -0.24 0.51 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1pyt n PHE 151 Cb 0.69 -2.37 0.00 0.00 -0.00 0.00 0.00 39.48 37.80 1pyt n PHE 151 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pyt n GLY 152 N 0.83 2.39 3.51 7.13 0.00 -1.26 -4.95 105.19 112.85 1pyt n GLY 152 Ca 0.07 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1pyt n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyt s LYS 153 N 0.00 -1.39 0.40 1.61 1.02 -1.07 -4.88 119.74 115.43 1pyt s LYS 153 Ca 0.00 0.21 -0.25 0.00 0.02 0.00 0.00 55.97 55.94 1pyt s LYS 153 Cb 0.00 -1.55 -0.11 0.00 -0.52 0.00 0.00 37.83 35.65 1pyt s LYS 153 CO 0.00 -3.88 1.08 0.00 -0.92 0.00 0.00 175.35 171.63 1pyt n ALA 154 N -4.93 0.41 0.00 5.17 0.00 -1.26 -3.69 120.51 116.21 1pyt n ALA 154 Ca 0.10 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1pyt n ALA 154 Cb 0.59 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1pyt n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyt n GLY 155 N 1.09 1.39 3.34 0.00 0.00 -1.26 -3.67 105.19 106.08 1pyt n GLY 155 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1pyt n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyt s ALA 156 N -2.00 -1.10 0.09 4.61 0.00 -1.24 -1.74 121.76 120.39 1pyt s ALA 156 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1pyt s ALA 156 Cb 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1pyt s ALA 156 CO 0.00 -0.67 0.07 0.45 0.00 0.00 0.00 175.76 175.61 1pyt s SER 157 N -2.76 5.40 0.00 0.00 0.15 -0.81 -4.94 113.70 110.75 1pyt s SER 157 Ca 0.02 -0.07 0.14 0.00 0.70 0.00 0.00 55.95 56.75 1pyt s SER 157 Cb 0.01 -1.41 0.32 0.00 -1.71 0.00 0.00 66.02 63.23 1pyt s SER 157 CO -0.12 0.16 1.22 -0.24 1.20 0.00 0.00 173.24 175.47 1pyt n SER 158 N 0.39 2.92 -4.58 5.45 2.88 -1.26 -1.21 113.62 118.21 1pyt n SER 158 Ca -0.09 -1.88 -0.39 0.00 -1.33 0.00 0.00 58.87 55.17 1pyt n SER 158 Cb 0.52 -0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 63.67 1pyt n SER 158 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pyt s SER 159 N -1.07 6.17 0.47 -3.46 0.15 -1.26 -4.94 113.70 109.77 1pyt s SER 159 Ca 0.27 0.06 0.18 0.00 0.70 0.00 0.00 55.95 57.16 1pyt s SER 159 Cb 0.15 -2.18 1.00 0.00 -1.71 0.00 0.00 66.02 63.28 1pyt s SER 159 CO 0.20 -0.20 1.50 -0.65 1.20 0.00 0.00 173.24 175.30 1pyt h PRO 160 N 8.31 0.00 -0.01 5.44 0.11 -1.93 0.24 132.00 144.16 1pyt h PRO 160 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1pyt h PRO 160 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1pyt h PRO 160 CO 0.63 0.00 -0.39 0.00 -0.21 0.00 0.00 178.00 178.04 1pyt s SER 162 N -2.70 6.87 0.00 0.00 1.04 0.07 -4.94 113.70 114.04 1pyt s SER 162 Ca 0.19 1.33 0.11 0.00 0.48 0.00 0.00 55.95 58.05 1pyt s SER 162 Cb 0.18 -2.39 0.48 0.00 0.10 0.00 0.00 66.02 64.39 1pyt s SER 162 CO 0.60 -0.12 1.30 -0.62 0.98 0.00 0.00 173.24 175.38 1pyt n GLU 163 N 0.01 0.05 -0.42 4.02 -0.58 -1.26 -1.72 120.64 120.74 1pyt n GLU 163 Ca 0.02 0.27 0.06 0.00 -0.42 0.00 0.00 57.16 57.09 1pyt n GLU 163 Cb 0.52 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 30.11 1pyt n GLU 163 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1pyt n THR 164 N -1.42 2.23 -1.65 2.62 -2.24 -1.26 -4.52 114.28 108.04 1pyt n THR 164 Ca 0.03 -2.20 -0.43 0.00 -2.27 0.00 0.00 64.05 59.17 1pyt n THR 164 Cb 0.11 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.04 1pyt n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pyt n TYR 165 N -0.90 2.36 0.61 4.78 9.36 -0.70 -1.91 117.16 130.76 1pyt n TYR 165 Ca 0.22 -0.26 0.08 0.00 3.32 0.00 0.00 57.90 61.26 1pyt n TYR 165 Cb 0.85 -2.76 0.36 0.00 -0.63 0.00 0.00 39.34 37.15 1pyt n TYR 165 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1pyt n HIS 166 N 8.24 0.00 0.00 2.98 1.44 -0.35 -0.40 115.22 127.13 1pyt n HIS 166 Ca 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 1pyt n HIS 166 Cb 0.39 -0.44 0.00 0.00 0.12 0.00 0.00 29.99 30.06 1pyt n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pyt n GLY 167 N 0.13 -1.41 0.36 -1.39 0.00 -1.26 -4.21 105.19 97.40 1pyt n GLY 167 Ca 0.05 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.51 1pyt n GLY 167 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pyt h LYS 168 N 0.00 1.01 -2.74 1.61 2.10 -1.96 -3.46 116.57 113.13 1pyt h LYS 168 Ca 0.00 -0.06 0.04 0.00 -2.00 0.00 0.00 60.65 58.63 1pyt h LYS 168 Cb 0.00 -0.23 -0.12 0.00 -0.90 0.00 0.00 32.23 30.98 1pyt h LYS 168 CO 0.00 0.67 0.32 1.52 -2.00 0.00 0.00 179.45 179.95 1pyt s TYR 169 N -5.88 -0.44 0.20 0.07 1.13 -1.26 -5.06 117.35 106.11 1pyt s TYR 169 Ca -0.11 0.23 -0.31 0.00 -1.41 0.00 0.00 57.07 55.48 1pyt s TYR 169 Cb 0.18 0.56 -0.16 0.00 -1.10 0.00 0.00 41.96 41.45 1pyt s TYR 169 CO 0.79 -0.77 0.96 0.00 -2.51 0.00 0.00 175.55 174.02 1pyt n ALA 170 N -0.34 -1.30 -1.61 9.51 0.00 -1.26 -0.62 120.51 124.90 1pyt n ALA 170 Ca -0.13 0.45 -0.17 0.00 0.00 0.00 0.00 53.44 53.59 1pyt n ALA 170 Cb 0.63 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 1pyt n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pyt n ASN 171 N 1.73 -4.44 0.27 0.00 3.02 0.53 -4.83 115.26 111.55 1pyt n ASN 171 Ca 0.14 0.37 0.14 0.00 -0.03 0.00 0.00 54.58 55.20 1pyt n ASN 171 Cb 0.26 -3.98 0.74 0.00 -0.61 0.00 0.00 39.78 36.19 1pyt n ASN 171 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1pyt h SER 172 N 0.00 0.00 -3.53 6.41 4.64 -1.09 -3.39 113.55 116.60 1pyt h SER 172 Ca -0.35 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.45 1pyt h SER 172 Cb 1.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1pyt h SER 172 CO 0.49 0.10 0.15 -1.61 -0.87 0.00 0.00 176.83 175.10 1pyt s GLU 173 N -4.06 4.46 0.41 4.77 0.41 -1.26 -4.97 118.70 118.46 1pyt s GLU 173 Ca -0.02 1.06 0.21 0.00 -0.41 0.00 0.00 54.97 55.81 1pyt s GLU 173 Cb 0.12 -3.14 0.83 0.00 -1.78 0.00 0.00 34.13 30.17 1pyt s GLU 173 CO 0.57 0.52 1.80 -0.39 -0.49 0.00 0.00 175.26 177.27 1pyt h VAL 174 N 3.16 0.76 -0.39 2.63 -1.51 -1.89 -0.60 116.25 118.41 1pyt h VAL 174 Ca -0.47 -1.28 -0.08 0.00 -1.23 0.00 0.00 66.70 63.63 1pyt h VAL 174 Cb 1.20 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 32.15 1pyt h VAL 174 CO 0.65 0.30 -0.10 -0.33 -1.23 0.00 0.00 177.57 176.86 1pyt h GLU 175 N 0.00 0.68 0.01 5.19 3.07 -1.89 0.54 114.58 122.18 1pyt h GLU 175 Ca -0.00 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.58 1pyt h GLU 175 Cb 0.78 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1pyt h GLU 175 CO 0.04 0.77 -0.34 0.28 -1.40 0.00 0.00 179.01 178.36 1pyt h VAL 176 N 0.63 1.59 -0.89 3.13 2.07 -1.85 -3.30 116.25 117.62 1pyt h VAL 176 Ca 0.11 -2.33 0.10 0.00 0.82 0.00 0.00 66.70 65.40 1pyt h VAL 176 Cb 0.54 3.14 -0.08 0.00 -1.52 0.00 0.00 31.29 33.37 1pyt h VAL 176 CO 0.03 0.56 0.53 0.50 0.02 0.00 0.00 177.57 179.22 1pyt h LYS 177 N -0.93 0.86 -0.49 1.57 1.63 -1.08 -0.31 116.57 117.81 1pyt h LYS 177 Ca -0.09 -0.05 0.09 0.00 -0.85 0.00 0.00 60.65 59.75 1pyt h LYS 177 Cb 1.13 -0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 32.49 1pyt h LYS 177 CO -0.03 0.57 0.08 0.77 -3.45 0.00 0.00 179.45 177.39 1pyt h SER 178 N 0.88 -0.04 -0.30 4.20 0.02 -0.99 0.99 113.55 118.32 1pyt h SER 178 Ca 0.43 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.36 1pyt h SER 178 Cb 0.39 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1pyt h SER 178 CO -0.25 0.01 -0.27 0.40 -1.14 0.00 0.00 176.83 175.58 1pyt h ILE 179 N 0.21 1.30 -0.70 3.27 2.04 -1.45 -0.97 117.51 121.22 1pyt h ILE 179 Ca 0.25 -1.43 0.06 0.00 1.00 0.00 0.00 64.86 64.74 1pyt h ILE 179 Cb 0.34 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1pyt h ILE 179 CO -0.34 0.46 0.40 0.58 0.00 0.00 0.00 178.15 179.25 1pyt h VAL 180 N 0.45 0.97 0.49 1.67 2.07 -0.48 0.38 116.25 121.81 1pyt h VAL 180 Ca 0.05 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1pyt h VAL 180 Cb 0.83 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1pyt h VAL 180 CO 0.07 0.13 -0.24 0.44 0.02 0.00 0.00 177.57 177.99 1pyt h ASP 181 N 0.73 -0.56 0.09 0.57 3.32 -0.65 -0.78 116.42 119.14 1pyt h ASP 181 Ca 0.31 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.33 1pyt h ASP 181 Cb 0.20 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1pyt h ASP 181 CO -0.19 -0.27 -0.24 0.15 -1.72 0.00 0.00 179.24 176.98 1pyt h PHE 182 N -0.85 -0.63 0.04 4.55 3.57 -0.78 -0.05 116.94 122.80 1pyt h PHE 182 Ca -0.07 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1pyt h PHE 182 Cb 0.58 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1pyt h PHE 182 CO -0.01 -0.33 -0.10 0.28 -2.23 0.00 0.00 178.31 175.92 1pyt h VAL 183 N -0.42 0.75 -0.79 1.41 2.07 -0.28 -0.63 116.25 118.36 1pyt h VAL 183 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1pyt h VAL 183 Cb 0.46 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1pyt h VAL 183 CO -0.15 0.00 0.52 0.11 0.02 0.00 0.00 177.57 178.07 1pyt h LYS 184 N -0.19 1.04 0.01 1.57 1.57 -0.93 -1.33 116.57 118.31 1pyt h LYS 184 Ca 0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1pyt h LYS 184 Cb 0.22 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1pyt h LYS 184 CO -0.08 0.69 -0.01 0.22 -0.57 0.00 0.00 179.45 179.71 1pyt h ASP 185 N 1.07 -0.02 -0.12 0.86 3.58 -0.86 -3.09 116.42 117.84 1pyt h ASP 185 Ca 0.29 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.51 1pyt h ASP 185 Cb -0.12 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.87 1pyt h ASP 185 CO -0.06 0.26 -0.33 -0.74 -2.88 0.00 0.00 179.24 175.49 1pyt h HIS 186 N -0.30 -0.91 0.00 0.28 2.76 -0.83 -3.45 115.15 112.71 1pyt h HIS 186 Ca -0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1pyt h HIS 186 Cb 0.29 0.42 0.00 0.00 1.55 0.00 0.00 27.41 29.66 1pyt h HIS 186 CO 0.02 -0.41 0.00 0.41 -1.30 0.00 0.00 177.93 176.65 1pyt n GLY 187 N -1.41 2.21 2.59 5.26 0.00 -0.53 -4.81 105.19 108.50 1pyt n GLY 187 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1pyt n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pyt n ASN 188 N 0.40 7.24 -4.68 1.61 5.15 -1.26 -4.94 115.26 118.78 1pyt n ASN 188 Ca 0.00 -3.61 -0.36 0.00 -0.60 0.00 0.00 54.58 50.00 1pyt n ASN 188 Cb 0.00 -1.08 -0.09 0.00 -0.53 0.00 0.00 39.78 38.07 1pyt n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1pyt s PHE 189 N -3.28 3.34 -0.11 1.20 0.08 -1.26 -1.08 117.98 116.86 1pyt s PHE 189 Ca 0.55 0.27 0.10 0.00 0.12 0.00 0.00 56.93 57.96 1pyt s PHE 189 Cb 0.42 -2.25 -0.14 0.00 -0.57 0.00 0.00 43.02 40.49 1pyt s PHE 189 CO -0.24 0.12 0.26 1.63 -0.10 0.00 0.00 175.22 176.89 1pyt n LYS 190 N 4.08 1.12 -3.99 0.44 4.76 -0.47 -4.57 118.16 119.53 1pyt n LYS 190 Ca -0.15 -0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.13 1pyt n LYS 190 Cb 0.52 -1.17 -0.11 0.00 -1.84 0.00 0.00 35.03 32.43 1pyt n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pyt s ALA 191 N -2.50 0.17 -0.22 7.82 0.00 -1.15 -2.94 121.76 122.94 1pyt s ALA 191 Ca -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1pyt s ALA 191 Cb 0.07 0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.43 1pyt s ALA 191 CO 0.41 -0.14 0.25 0.12 0.00 0.00 0.00 175.76 176.40 1pyt s PHE 192 N -1.44 -0.38 -0.07 0.00 2.19 -0.66 -1.23 117.98 116.38 1pyt s PHE 192 Ca -0.15 0.30 0.05 0.00 0.33 0.00 0.00 56.93 57.46 1pyt s PHE 192 Cb -0.10 -0.30 -0.01 0.00 -1.31 0.00 0.00 43.02 41.30 1pyt s PHE 192 CO -0.01 -0.65 -0.23 -0.51 1.83 0.00 0.00 175.22 175.65 1pyt s LEU 193 N 2.37 2.17 -0.16 6.12 1.02 0.15 -1.95 118.68 128.40 1pyt s LEU 193 Ca 0.08 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.76 1pyt s LEU 193 Cb -0.16 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 44.67 1pyt s LEU 193 CO -0.14 0.24 -0.18 -0.44 0.02 0.00 0.00 176.35 175.85 1pyt s SER 194 N -0.13 2.91 0.02 2.29 0.01 -0.82 -1.04 113.70 116.94 1pyt s SER 194 Ca -0.04 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.50 1pyt s SER 194 Cb -0.14 -1.34 -0.06 0.00 0.21 0.00 0.00 66.02 64.69 1pyt s SER 194 CO 0.04 -0.01 0.44 -0.63 0.41 0.00 0.00 173.24 173.49 1pyt s ILE 195 N 1.26 4.97 0.00 1.44 -1.09 0.32 -2.52 121.20 125.57 1pyt s ILE 195 Ca 0.02 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 1pyt s ILE 195 Cb -0.13 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1pyt s ILE 195 CO -0.09 0.56 0.00 1.41 -1.23 0.00 0.00 174.94 175.59 1pyt n HIS 196 N 1.76 0.00 0.00 3.97 8.25 -0.48 -4.18 115.22 124.54 1pyt n HIS 196 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1pyt n HIS 196 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1pyt n HIS 196 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pyt n SER 197 N 0.00 0.00 -3.42 0.41 2.88 -1.26 -1.90 113.62 110.32 1pyt n SER 197 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1pyt n SER 197 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1pyt n SER 197 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1pyt s TYR 198 N -0.13 1.78 0.00 0.66 1.13 -1.26 -4.81 117.35 114.72 1pyt s TYR 198 Ca 0.00 -1.63 0.00 0.00 -1.41 0.00 0.00 57.07 54.03 1pyt s TYR 198 Cb 0.00 -0.78 0.00 0.00 -1.10 0.00 0.00 41.96 40.08 1pyt s TYR 198 CO 0.00 -0.81 0.00 0.43 -2.51 0.00 0.00 175.55 172.66 1pyt n SER 199 N -1.58 0.00 -3.46 -0.18 7.64 -0.78 -4.87 113.62 110.39 1pyt n SER 199 Ca 0.06 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.76 1pyt n SER 199 Cb 0.62 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.85 1pyt n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pyt n GLN 200 N 0.00 -1.43 -4.15 1.43 6.02 0.81 -4.85 117.38 115.21 1pyt n GLN 200 Ca 0.00 0.89 -0.16 0.00 -0.01 0.00 0.00 57.00 57.72 1pyt n GLN 200 Cb 0.00 -4.48 -0.11 0.00 1.02 0.00 0.00 30.24 26.67 1pyt n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pyt s LEU 201 N -5.27 2.31 -0.20 1.08 1.43 -0.92 -2.64 118.68 114.47 1pyt s LEU 201 Ca 0.23 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1pyt s LEU 201 Cb -0.07 -0.37 0.06 0.00 0.03 0.00 0.00 46.19 45.84 1pyt s LEU 201 CO 0.82 -0.16 -0.00 -0.22 0.23 0.00 0.00 176.35 177.01 1pyt s LEU 202 N -1.91 1.68 0.28 1.79 0.20 -1.00 0.69 118.68 120.41 1pyt s LEU 202 Ca -0.02 -0.92 0.11 0.00 0.69 0.00 0.00 54.13 54.00 1pyt s LEU 202 Cb -0.08 -0.82 -0.05 0.00 -0.43 0.00 0.00 46.19 44.82 1pyt s LEU 202 CO 0.01 -0.27 -0.12 -0.76 -0.29 0.00 0.00 176.35 174.92 1pyt s LEU 203 N 1.68 2.83 0.10 -0.68 1.43 -0.05 -2.34 118.68 121.64 1pyt s LEU 203 Ca -0.02 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1pyt s LEU 203 Cb -0.17 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1pyt s LEU 203 CO -0.07 0.02 -0.07 -0.72 0.23 0.00 0.00 176.35 175.74 1pyt s TYR 204 N -2.44 0.89 1.01 0.29 1.13 -0.98 -1.75 117.35 115.50 1pyt s TYR 204 Ca 0.31 -0.90 -0.22 0.00 -1.41 0.00 0.00 57.07 54.85 1pyt s TYR 204 Cb -0.05 -0.51 -0.12 0.00 -1.10 0.00 0.00 41.96 40.17 1pyt s TYR 204 CO 0.17 -0.15 -0.94 -2.30 -2.51 0.00 0.00 175.55 169.83 1pyt n PRO 205 N 0.01 -0.22 -3.35 -3.49 -0.02 -1.26 -1.48 135.00 125.19 1pyt n PRO 205 Ca -0.12 -0.06 -0.19 0.00 -2.02 0.00 0.00 63.50 61.11 1pyt n PRO 205 Cb 0.61 -1.16 -0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1pyt n PRO 205 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1pyt s TYR 206 N -2.06 3.08 -0.07 6.00 2.02 -1.26 -4.35 117.35 120.70 1pyt s TYR 206 Ca 0.42 -0.19 0.10 0.00 -0.37 0.00 0.00 57.07 57.02 1pyt s TYR 206 Cb -0.05 -2.09 -0.15 0.00 -0.40 0.00 0.00 41.96 39.28 1pyt s TYR 206 CO 0.72 -0.11 0.11 0.41 -1.57 0.00 0.00 175.55 175.10 1pyt n GLY 207 N -1.72 -0.52 0.07 0.71 0.00 -1.26 -1.21 105.19 101.25 1pyt n GLY 207 Ca 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 1pyt n GLY 207 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1pyt n TYR 208 N -2.22 0.66 -1.96 1.61 4.11 -1.01 -0.46 117.16 117.88 1pyt n TYR 208 Ca -0.12 0.29 -0.31 0.00 -0.00 0.00 0.00 57.90 57.75 1pyt n TYR 208 Cb 0.66 -0.66 0.00 0.00 -0.00 0.00 0.00 39.34 39.35 1pyt n TYR 208 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1pyt s THR 209 N -2.21 4.59 -0.75 -3.48 -1.32 -1.26 -4.73 115.64 106.47 1pyt s THR 209 Ca -0.16 0.93 0.25 0.00 -1.21 0.00 0.00 61.69 61.51 1pyt s THR 209 Cb 0.02 -3.78 0.05 0.00 -1.51 0.00 0.00 72.50 67.28 1pyt s THR 209 CO 0.23 -1.01 1.39 0.35 -2.21 0.00 0.00 174.62 173.37 1pyt n THR 210 N -2.51 0.25 -1.69 5.08 -2.24 -1.26 -4.76 114.28 107.15 1pyt n THR 210 Ca 0.06 -0.19 -0.45 0.00 -2.27 0.00 0.00 64.05 61.21 1pyt n THR 210 Cb 0.54 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1pyt n THR 210 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1pyt n GLN 211 N -1.92 2.33 -2.78 -0.78 0.00 -1.26 -4.97 117.38 107.99 1pyt n GLN 211 Ca 0.04 0.84 -0.34 0.00 -0.00 0.00 0.00 57.00 57.54 1pyt n GLN 211 Cb 0.41 -2.62 -0.07 0.00 0.00 0.00 0.00 30.24 27.96 1pyt n GLN 211 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1pyt s SER 212 N 0.90 6.94 0.29 1.69 0.15 -1.26 -4.67 113.70 117.74 1pyt s SER 212 Ca 0.76 1.74 -0.28 0.00 0.70 0.00 0.00 55.95 58.88 1pyt s SER 212 Cb -0.62 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.04 1pyt s SER 212 CO 0.38 -0.36 0.94 0.27 1.20 0.00 0.00 173.24 175.68 1pyt s ILE 213 N -2.07 4.15 0.58 6.45 -4.36 -1.26 -4.93 121.20 119.76 1pyt s ILE 213 Ca 0.61 1.92 0.36 0.00 -0.26 0.00 0.00 60.65 63.28 1pyt s ILE 213 Cb -0.11 -4.13 0.53 0.00 1.25 0.00 0.00 42.46 40.00 1pyt s ILE 213 CO 0.16 0.27 1.60 -0.65 0.24 0.00 0.00 174.94 176.56 1pyt h PRO 214 N 3.53 0.00 -1.44 0.37 0.11 -2.02 -2.71 132.00 129.85 1pyt h PRO 214 Ca -0.46 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.17 1pyt h PRO 214 Cb 1.19 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.90 1pyt h PRO 214 CO 0.66 0.00 -0.98 -0.40 -0.21 0.00 0.00 178.00 177.07 1pyt n ASP 215 N -3.74 2.78 -0.36 -2.05 5.68 -1.26 -4.87 116.55 112.74 1pyt n ASP 215 Ca 0.27 -3.19 -0.02 0.00 -0.50 0.00 0.00 54.79 51.35 1pyt n ASP 215 Cb 1.45 -0.52 0.10 0.00 -1.14 0.00 0.00 41.12 41.01 1pyt n ASP 215 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1pyt h LYS 216 N 2.86 1.25 0.00 0.11 3.64 -1.88 -2.83 116.57 119.72 1pyt h LYS 216 Ca 0.08 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1pyt h LYS 216 Cb 1.00 -0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 1pyt h LYS 216 CO 0.65 0.83 -0.53 1.79 -2.27 0.00 0.00 179.45 179.92 1pyt h THR 217 N 1.29 0.00 0.95 1.00 1.35 -1.89 0.14 112.91 115.75 1pyt h THR 217 Ca 0.35 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 66.16 1pyt h THR 217 Cb -0.14 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 66.29 1pyt h THR 217 CO -0.08 0.00 -0.46 -0.08 -0.25 0.00 0.00 175.52 174.66 1pyt h GLU 218 N -0.66 -1.23 -0.66 4.72 4.81 -1.95 -1.31 114.58 118.30 1pyt h GLU 218 Ca 0.01 0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.46 1pyt h GLU 218 Cb 0.71 0.28 -0.10 0.00 0.63 0.00 0.00 28.75 30.27 1pyt h GLU 218 CO -0.35 -0.82 0.13 -0.07 -0.73 0.00 0.00 179.01 177.17 1pyt h LEU 219 N -1.28 -0.03 -0.85 1.64 3.38 -1.46 0.21 115.31 116.92 1pyt h LEU 219 Ca -0.13 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1pyt h LEU 219 Cb 0.98 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 1pyt h LEU 219 CO 0.21 -0.03 0.51 -1.13 0.09 0.00 0.00 178.44 178.10 1pyt h ASN 220 N 0.25 0.79 -0.52 -0.43 -1.24 -0.57 -0.06 115.58 113.79 1pyt h ASN 220 Ca 0.36 0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.31 1pyt h ASN 220 Cb 0.58 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1pyt h ASN 220 CO -0.47 0.48 0.01 -0.61 -1.29 0.00 0.00 177.43 175.56 1pyt h GLN 221 N 0.91 0.96 -0.86 6.67 5.75 0.55 -1.90 115.11 127.19 1pyt h GLN 221 Ca 0.38 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1pyt h GLN 221 Cb 0.24 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1pyt h GLN 221 CO -0.20 0.94 0.56 0.28 -2.65 0.00 0.00 178.83 177.76 1pyt h VAL 222 N 0.88 1.17 -0.18 2.39 2.07 0.54 -1.99 116.25 121.14 1pyt h VAL 222 Ca 0.16 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1pyt h VAL 222 Cb 0.50 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1pyt h VAL 222 CO 0.02 0.20 0.11 0.00 0.02 0.00 0.00 177.57 177.92 1pyt h ALA 223 N 1.49 0.23 -0.59 1.67 0.00 -0.39 -1.75 119.26 119.91 1pyt h ALA 223 Ca 0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1pyt h ALA 223 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1pyt h ALA 223 CO -0.09 -0.26 0.25 -0.22 0.00 0.00 0.00 179.25 178.93 1pyt h LYS 224 N 0.21 0.85 -0.16 0.00 3.64 -0.86 0.38 116.57 120.64 1pyt h LYS 224 Ca 0.06 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1pyt h LYS 224 Cb 0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1pyt h LYS 224 CO -0.01 0.69 0.05 0.77 -2.27 0.00 0.00 179.45 178.67 1pyt h SER 225 N 0.85 0.23 -0.45 4.20 0.02 -1.27 0.22 113.55 117.35 1pyt h SER 225 Ca 0.20 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1pyt h SER 225 Cb 0.14 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1pyt h SER 225 CO -0.02 0.38 -0.11 0.00 -1.14 0.00 0.00 176.83 175.93 1pyt h ALA 226 N 0.86 0.62 -0.49 3.77 0.00 -1.05 0.24 119.26 123.21 1pyt h ALA 226 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1pyt h ALA 226 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1pyt h ALA 226 CO -0.00 0.52 0.22 0.28 0.00 0.00 0.00 179.25 180.26 1pyt h VAL 227 N 0.71 1.20 0.28 0.00 2.07 -0.14 0.37 116.25 120.74 1pyt h VAL 227 Ca 0.11 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1pyt h VAL 227 Cb 0.65 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1pyt h VAL 227 CO 0.05 0.23 -0.35 -0.08 0.02 0.00 0.00 177.57 177.43 1pyt h GLU 228 N 0.65 -0.62 -0.86 1.57 4.81 -0.38 -1.15 114.58 118.59 1pyt h GLU 228 Ca 0.17 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.56 1pyt h GLU 228 Cb 0.16 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1pyt h GLU 228 CO -0.02 -0.42 0.56 0.00 -0.73 0.00 0.00 179.01 178.40 1pyt h ALA 229 N -1.10 1.78 -0.16 2.92 0.00 -0.45 0.16 119.26 122.41 1pyt h ALA 229 Ca -0.03 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1pyt h ALA 229 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pyt h ALA 229 CO -0.08 0.01 -0.28 1.25 0.00 0.00 0.00 179.25 180.16 1pyt h LEU 230 N 0.73 0.30 -1.02 0.00 6.46 -0.58 -2.88 115.31 118.32 1pyt h LEU 230 Ca 0.42 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.98 1pyt h LEU 230 Cb 0.58 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1pyt h LEU 230 CO -0.18 0.58 -0.46 0.50 -0.62 0.00 0.00 178.44 178.26 1pyt h LYS 231 N 0.27 0.00 -0.29 1.25 3.64 0.59 -3.32 116.57 118.71 1pyt h LYS 231 Ca 0.04 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1pyt h LYS 231 Cb 0.63 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1pyt h LYS 231 CO 0.05 0.46 -0.36 0.77 -2.27 0.00 0.00 179.45 178.09 1pyt h SER 232 N 0.00 -1.22 -0.88 4.20 0.02 -1.23 0.83 113.55 115.27 1pyt h SER 232 Ca -0.00 0.16 0.20 0.00 -0.84 0.00 0.00 61.79 61.31 1pyt h SER 232 Cb 0.87 0.50 -0.16 0.00 0.14 0.00 0.00 62.40 63.75 1pyt h SER 232 CO 0.06 -0.25 -0.08 0.25 -1.14 0.00 0.00 176.83 175.67 1pyt h LEU 233 N -0.24 -0.58 -0.38 5.07 5.85 -1.73 -3.34 115.31 119.96 1pyt h LEU 233 Ca 0.05 0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1pyt h LEU 233 Cb 0.38 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1pyt h LEU 233 CO -0.40 -0.27 0.00 -1.22 -0.34 0.00 0.00 178.44 176.21 1pyt n TYR 234 N -5.48 0.00 -0.23 1.25 4.01 -1.11 -5.03 117.16 110.58 1pyt n TYR 234 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1pyt n TYR 234 Cb 0.54 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1pyt n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyt n GLY 235 N 0.00 1.69 3.68 2.72 0.00 0.29 -5.00 105.19 108.56 1pyt n GLY 235 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1pyt n GLY 235 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pyt n THR 236 N -2.00 1.69 -4.34 2.61 -2.24 -1.26 -4.93 114.28 103.81 1pyt n THR 236 Ca 0.00 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 1pyt n THR 236 Cb 0.00 -1.50 -0.11 0.00 -2.10 0.00 0.00 70.33 66.63 1pyt n THR 236 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pyt s SER 237 N -0.15 5.11 0.24 3.42 0.01 -1.26 -4.36 113.70 116.71 1pyt s SER 237 Ca 0.59 0.03 0.10 0.00 1.31 0.00 0.00 55.95 57.98 1pyt s SER 237 Cb -0.60 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1pyt s SER 237 CO 0.58 0.27 -0.08 -0.31 0.41 0.00 0.00 173.24 174.12 1pyt s TYR 238 N -0.23 2.59 0.44 2.43 1.51 -1.26 -4.84 117.35 117.99 1pyt s TYR 238 Ca 0.05 -0.25 0.06 0.00 -1.01 0.00 0.00 57.07 55.92 1pyt s TYR 238 Cb -0.12 -1.18 -0.05 0.00 -0.11 0.00 0.00 41.96 40.49 1pyt s TYR 238 CO 0.02 0.60 0.06 0.15 -1.11 0.00 0.00 175.55 175.27 1pyt s LYS 239 N -3.33 2.08 0.28 -0.62 3.01 -1.08 -5.00 119.74 115.07 1pyt s LYS 239 Ca 0.29 -2.12 -0.21 0.00 -1.01 0.00 0.00 55.97 52.92 1pyt s LYS 239 Cb -0.07 -1.70 0.03 0.00 -1.01 0.00 0.00 37.83 35.08 1pyt s LYS 239 CO 0.17 -0.15 0.76 1.52 0.51 0.00 0.00 175.35 178.16 1pyt s TYR 240 N -2.73 -0.14 -5.00 3.18 1.13 -1.26 -2.36 117.35 110.17 1pyt s TYR 240 Ca 0.30 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 1pyt s TYR 240 Cb 0.06 0.72 0.00 0.00 -1.10 0.00 0.00 41.96 41.64 1pyt s TYR 240 CO 0.16 -1.23 0.00 0.41 -2.51 0.00 0.00 175.55 172.38 1pyt n GLY 241 N -0.47 0.58 3.82 5.49 0.00 -0.99 -4.98 105.19 108.64 1pyt n GLY 241 Ca -0.05 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 1pyt n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pyt s SER 242 N -3.12 5.94 0.03 1.61 1.04 -1.26 -2.32 113.70 115.63 1pyt s SER 242 Ca 0.00 1.69 -0.10 0.00 0.48 0.00 0.00 55.95 58.02 1pyt s SER 242 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1pyt s SER 242 CO 0.00 -1.06 1.16 0.40 0.98 0.00 0.00 173.24 174.72 1pyt h ILE 243 N 0.26 0.00 -0.82 -1.02 2.04 -1.24 -0.28 117.51 116.45 1pyt h ILE 243 Ca -0.46 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.56 1pyt h ILE 243 Cb 1.21 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.18 1pyt h ILE 243 CO 0.59 0.00 0.36 -0.29 0.00 0.00 0.00 178.15 178.81 1pyt h ILE 244 N -0.19 0.63 0.00 -0.67 2.10 -1.26 0.28 117.51 118.40 1pyt h ILE 244 Ca 0.00 -0.17 -0.17 0.00 1.08 0.00 0.00 64.86 65.61 1pyt h ILE 244 Cb 0.21 0.10 -0.02 0.00 -1.09 0.00 0.00 36.82 36.02 1pyt h ILE 244 CO -0.11 0.09 -0.81 0.71 -1.08 0.00 0.00 178.15 176.95 1pyt h THR 245 N 0.48 1.32 0.00 2.19 1.35 -1.81 -3.17 112.91 113.27 1pyt h THR 245 Ca 0.47 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 1pyt h THR 245 Cb 0.75 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1pyt h THR 245 CO -0.43 0.75 -0.72 0.74 -0.25 0.00 0.00 175.52 175.61 1pyt h THR 246 N 0.00 0.00 0.00 6.82 2.02 0.15 -3.46 112.91 118.44 1pyt h THR 246 Ca -0.02 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1pyt h THR 246 Cb 1.61 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1pyt h THR 246 CO 0.10 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.61 1pyt n ILE 247 N -2.72 0.00 -3.68 3.11 5.41 0.88 -5.06 119.36 117.31 1pyt n ILE 247 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.75 1pyt n ILE 247 Cb 0.53 -0.20 -0.01 0.00 -0.71 0.00 0.00 39.64 39.25 1pyt n ILE 247 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1pyt s TYR 248 N -0.01 -0.09 0.01 1.39 -0.85 -1.20 -5.01 117.35 111.59 1pyt s TYR 248 Ca 0.00 -0.10 -0.30 0.00 -0.52 0.00 0.00 57.07 56.14 1pyt s TYR 248 Cb 0.00 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.88 1pyt s TYR 248 CO 0.00 -0.53 1.23 -1.14 -1.52 0.00 0.00 175.55 173.59 1pyt s GLN 249 N -2.83 4.38 -0.02 -3.49 0.74 -1.26 -3.80 119.66 113.38 1pyt s GLN 249 Ca 0.13 1.76 0.02 0.00 0.05 0.00 0.00 55.36 57.32 1pyt s GLN 249 Cb 0.02 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1pyt s GLN 249 CO -0.01 -0.37 -0.07 0.00 -0.55 0.00 0.00 175.29 174.29 1pyt s ALA 250 N 1.66 0.67 0.07 1.58 0.00 0.39 -4.25 121.76 121.87 1pyt s ALA 250 Ca 0.58 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1pyt s ALA 250 Cb -0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1pyt s ALA 250 CO 0.26 0.10 0.25 0.45 0.00 0.00 0.00 175.76 176.82 1pyt s SER 251 N 0.23 6.40 -1.25 0.00 0.15 -0.71 -2.39 113.70 116.13 1pyt s SER 251 Ca -0.03 0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.99 1pyt s SER 251 Cb -0.07 -2.00 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1pyt s SER 251 CO 0.00 0.16 0.86 0.61 1.20 0.00 0.00 173.24 176.07 1pyt n GLY 252 N 0.39 -0.34 3.94 9.45 0.00 0.94 -4.51 105.19 115.06 1pyt n GLY 252 Ca -0.06 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1pyt n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pyt s GLY 253 N -4.35 1.65 0.10 -0.02 0.00 -1.25 -1.60 107.32 101.86 1pyt s GLY 253 Ca 0.01 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 1pyt s GLY 253 CO 0.77 -0.93 1.61 1.48 0.00 0.00 0.00 173.10 176.03 1pyt h SER 254 N 1.84 -0.96 0.22 1.64 4.64 -1.92 -2.74 113.55 116.28 1pyt h SER 254 Ca -0.49 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1pyt h SER 254 Cb 1.20 0.34 -0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1pyt h SER 254 CO 0.67 -0.46 -0.01 0.16 -0.87 0.00 0.00 176.83 176.31 1pyt h ILE 255 N -0.66 0.12 0.09 0.95 3.07 -1.94 0.45 117.51 119.59 1pyt h ILE 255 Ca -0.00 -0.15 -0.26 0.00 1.55 0.00 0.00 64.86 66.00 1pyt h ILE 255 Cb 0.63 1.13 -0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1pyt h ILE 255 CO -0.12 0.01 -1.17 0.44 -1.05 0.00 0.00 178.15 176.26 1pyt h ASP 256 N 0.00 0.31 0.14 2.16 5.19 -1.93 -2.06 116.42 120.23 1pyt h ASP 256 Ca -0.00 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 1pyt h ASP 256 Cb 0.13 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1pyt h ASP 256 CO 0.00 1.26 -0.07 -0.25 -3.12 0.00 0.00 179.24 177.06 1pyt h TRP 257 N 0.06 -0.18 -0.05 4.55 7.01 -0.24 -2.52 115.95 124.58 1pyt h TRP 257 Ca -0.10 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 60.93 1pyt h TRP 257 Cb 1.91 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 28.97 1pyt h TRP 257 CO 0.05 0.25 -0.46 0.77 -2.79 0.00 0.00 178.44 176.25 1pyt h SER 258 N -0.69 -1.43 -0.55 2.65 0.02 -0.37 -1.36 113.55 111.82 1pyt h SER 258 Ca -0.02 0.17 0.11 0.00 -0.84 0.00 0.00 61.79 61.22 1pyt h SER 258 Cb 0.51 0.56 -0.10 0.00 0.14 0.00 0.00 62.40 63.51 1pyt h SER 258 CO 0.03 -0.47 -0.10 0.22 -1.14 0.00 0.00 176.83 175.37 1pyt h TYR 259 N -0.58 -0.22 0.00 3.45 3.20 -1.45 0.80 116.97 122.17 1pyt h TYR 259 Ca 0.05 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1pyt h TYR 259 Cb 0.67 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 1pyt h TYR 259 CO -0.48 -0.21 -0.01 -0.91 -1.64 0.00 0.00 178.16 174.91 1pyt h ASN 260 N 0.03 0.00 0.52 -2.11 2.35 -1.03 0.31 115.58 115.65 1pyt h ASN 260 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1pyt h ASN 260 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1pyt h ASN 260 CO -0.54 0.01 -0.05 1.67 -1.65 0.00 0.00 177.43 176.86 1pyt n GLN 261 N -3.13 0.48 -0.21 0.81 -0.06 0.27 -4.89 117.38 110.65 1pyt n GLN 261 Ca -0.02 -0.08 0.00 0.00 -2.00 0.00 0.00 57.00 54.90 1pyt n GLN 261 Cb 0.16 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.84 1pyt n GLN 261 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1pyt n GLY 262 N 1.30 0.74 3.49 1.69 0.00 0.11 -4.98 105.19 107.54 1pyt n GLY 262 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1pyt n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pyt s ILE 263 N -2.23 4.68 0.29 -0.61 1.01 -1.05 -4.85 121.20 118.45 1pyt s ILE 263 Ca 0.00 -2.04 0.04 0.00 0.00 0.00 0.00 60.65 58.65 1pyt s ILE 263 Cb 0.00 -4.94 0.31 0.00 0.01 0.00 0.00 42.46 37.84 1pyt s ILE 263 CO 0.00 -1.69 1.66 0.50 0.00 0.00 0.00 174.94 175.41 1pyt h LYS 264 N 7.95 0.25 -4.23 2.79 3.64 -1.83 -3.31 116.57 121.82 1pyt h LYS 264 Ca 0.28 -0.01 -0.74 0.00 -1.27 0.00 0.00 60.65 58.91 1pyt h LYS 264 Cb 0.93 -0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.55 1pyt h LYS 264 CO 1.26 0.16 1.98 0.66 -2.27 0.00 0.00 179.45 181.25 1pyt n TYR 265 N -5.17 3.86 -3.84 1.91 4.01 -1.15 -4.95 117.16 111.83 1pyt n TYR 265 Ca 0.23 -3.00 -0.36 0.00 -0.16 0.00 0.00 57.90 54.60 1pyt n TYR 265 Cb 0.71 -2.18 -0.13 0.00 -0.31 0.00 0.00 39.34 37.42 1pyt n TYR 265 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1pyt s SER 266 N 2.17 4.72 0.05 7.72 0.01 -1.25 -1.66 113.70 125.46 1pyt s SER 266 Ca 0.43 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1pyt s SER 266 Cb 0.06 -1.81 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 1pyt s SER 266 CO -0.00 -0.09 -0.05 -0.36 0.41 0.00 0.00 173.24 173.16 1pyt s PHE 267 N 1.50 0.52 -0.05 2.43 0.40 -0.82 -4.17 117.98 117.79 1pyt s PHE 267 Ca 0.04 -0.74 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1pyt s PHE 267 Cb -0.16 -0.35 0.00 0.00 0.51 0.00 0.00 43.02 43.03 1pyt s PHE 267 CO -0.00 -0.21 -0.15 0.99 0.70 0.00 0.00 175.22 176.54 1pyt s THR 268 N -2.49 1.29 0.00 0.64 2.01 -0.71 -1.94 115.64 114.44 1pyt s THR 268 Ca -0.04 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 1pyt s THR 268 Cb -0.02 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1pyt s THR 268 CO -0.04 0.38 0.09 -0.36 -0.69 0.00 0.00 174.62 174.00 1pyt s PHE 269 N 0.24 3.30 -0.50 4.92 0.40 -1.05 -0.87 117.98 124.42 1pyt s PHE 269 Ca -0.07 0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.50 1pyt s PHE 269 Cb -0.13 -1.73 0.13 0.00 0.51 0.00 0.00 43.02 41.80 1pyt s PHE 269 CO 0.03 0.56 0.25 -1.21 0.70 0.00 0.00 175.22 175.54 1pyt s GLU 270 N -1.82 1.80 0.79 0.44 0.41 0.22 -1.38 118.70 119.15 1pyt s GLU 270 Ca 0.24 -2.46 -0.11 0.00 -0.41 0.00 0.00 54.97 52.23 1pyt s GLU 270 Cb -0.12 -3.07 0.18 0.00 -1.78 0.00 0.00 34.13 29.33 1pyt s GLU 270 CO 0.15 -1.12 0.40 1.28 -0.49 0.00 0.00 175.26 175.48 1pyt n LEU 271 N 3.23 0.00 -4.65 1.80 4.77 -0.80 -0.14 117.00 121.22 1pyt n LEU 271 Ca 0.06 -0.40 -0.53 0.00 -0.03 0.00 0.00 56.01 55.11 1pyt n LEU 271 Cb 0.33 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1pyt n LEU 271 CO 0.31 -2.19 1.49 -1.14 -1.33 0.00 0.00 177.39 174.53 1pyt n ARG 272 N -2.37 1.52 -1.11 3.23 0.63 -1.26 -2.51 116.66 114.79 1pyt n ARG 272 Ca 0.06 0.54 -0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1pyt n ARG 272 Cb 0.27 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 30.81 1pyt n ARG 272 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1pyt n ASP 273 N 6.77 -0.01 -0.00 6.15 2.03 -1.26 -4.77 116.55 125.46 1pyt n ASP 273 Ca 0.28 -1.00 0.06 0.00 0.52 0.00 0.00 54.79 54.65 1pyt n ASP 273 Cb 0.21 0.01 -0.08 0.00 -0.72 0.00 0.00 41.12 40.54 1pyt n ASP 273 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1pyt n THR 274 N -0.00 0.00 0.00 5.18 -2.24 -1.26 -1.87 114.28 114.09 1pyt n THR 274 Ca -0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1pyt n THR 274 Cb 0.00 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1pyt n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pyt n GLY 275 N 1.56 0.45 0.36 3.38 0.00 -1.26 -4.85 105.19 104.83 1pyt n GLY 275 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1pyt n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pyt h ARG 276 N 0.00 0.82 0.00 1.61 2.43 -2.03 -3.33 114.38 113.88 1pyt h ARG 276 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1pyt h ARG 276 Cb 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1pyt h ARG 276 CO 0.00 0.55 -0.60 0.66 -1.51 0.00 0.00 179.97 179.07 1pyt n TYR 277 N -4.48 0.00 0.00 2.20 4.01 -1.26 -5.09 117.16 112.53 1pyt n TYR 277 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1pyt n TYR 277 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1pyt n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyt n GLY 278 N 1.95 4.28 0.22 2.72 0.00 -1.25 -1.04 105.19 112.07 1pyt n GLY 278 Ca 0.00 0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1pyt n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1pyt h PHE 279 N 0.00 0.00 -0.76 1.61 0.04 -1.92 -3.26 116.94 112.66 1pyt h PHE 279 Ca 0.00 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.27 1pyt h PHE 279 Cb 0.00 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.94 1pyt h PHE 279 CO 0.00 0.00 0.65 1.28 -0.60 0.00 0.00 178.31 179.64 1pyt n LEU 280 N -2.89 7.09 -4.68 1.54 4.32 -0.20 -4.48 117.00 117.70 1pyt n LEU 280 Ca 0.02 -3.81 -0.48 0.00 -0.02 0.00 0.00 56.01 51.72 1pyt n LEU 280 Cb 0.37 -1.02 -0.05 0.00 -1.62 0.00 0.00 43.42 41.09 1pyt n LEU 280 CO 0.28 1.36 1.37 -0.11 -1.22 0.00 0.00 177.39 179.08 1pyt n LEU 281 N -0.26 3.24 -4.69 2.23 7.94 -1.23 -4.89 117.00 119.34 1pyt n LEU 281 Ca 0.47 1.02 -0.39 0.00 -1.11 0.00 0.00 56.01 55.99 1pyt n LEU 281 Cb 0.61 -1.37 0.04 0.00 0.53 0.00 0.00 43.42 43.23 1pyt n LEU 281 CO 0.58 -0.17 0.79 -2.65 -1.11 0.00 0.00 177.39 174.83 1pyt n PRO 282 N 5.46 1.41 0.23 1.96 -0.02 -1.26 -4.89 135.00 137.90 1pyt n PRO 282 Ca 0.21 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1pyt n PRO 282 Cb 0.28 -2.37 0.73 0.00 -0.02 0.00 0.00 33.50 32.12 1pyt n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pyt h ALA 283 N 1.19 1.94 0.00 3.55 0.00 -1.90 -1.60 119.26 122.44 1pyt h ALA 283 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pyt h ALA 283 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1pyt h ALA 283 CO 0.55 -0.11 0.03 0.77 0.00 0.00 0.00 179.25 180.49 1pyt h SER 284 N 0.00 0.00 -0.71 0.00 0.02 -1.90 -0.25 113.55 110.70 1pyt h SER 284 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1pyt h SER 284 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1pyt h SER 284 CO -0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1pyt n GLN 285 N -2.40 3.00 0.06 3.45 6.02 -0.60 -4.53 117.38 122.38 1pyt n GLN 285 Ca -0.02 -2.72 -0.11 0.00 -0.01 0.00 0.00 57.00 54.14 1pyt n GLN 285 Cb 0.07 -1.65 -0.08 0.00 1.02 0.00 0.00 30.24 29.60 1pyt n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1pyt h ILE 286 N 4.22 0.83 0.47 5.09 2.04 -1.20 -2.40 117.51 126.57 1pyt h ILE 286 Ca 0.00 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1pyt h ILE 286 Cb 1.11 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1pyt h ILE 286 CO 0.06 0.21 -0.23 0.40 0.00 0.00 0.00 178.15 178.60 1pyt h ILE 287 N -0.86 0.54 -0.53 -0.67 2.04 -1.80 0.11 117.51 116.35 1pyt h ILE 287 Ca -0.02 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 65.90 1pyt h ILE 287 Cb 0.52 0.56 -0.10 0.00 -0.74 0.00 0.00 36.82 37.06 1pyt h ILE 287 CO 0.04 0.01 -0.13 -0.65 0.00 0.00 0.00 178.15 177.42 1pyt h PRO 288 N -0.66 0.00 -0.75 2.37 0.11 -1.80 0.41 132.00 131.68 1pyt h PRO 288 Ca -0.06 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1pyt h PRO 288 Cb 0.50 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 1pyt h PRO 288 CO 0.11 0.00 0.47 1.15 -0.21 0.00 0.00 178.00 179.52 1pyt h THR 289 N 0.00 1.21 -0.14 -1.15 2.02 -1.32 -1.75 112.91 111.77 1pyt h THR 289 Ca 0.25 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1pyt h THR 289 Cb 0.39 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1pyt h THR 289 CO -0.54 0.21 0.02 0.00 0.37 0.00 0.00 175.52 175.58 1pyt h ALA 290 N 1.25 0.14 0.83 6.16 0.00 0.16 -0.34 119.26 127.47 1pyt h ALA 290 Ca 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1pyt h ALA 290 Cb -0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pyt h ALA 290 CO -0.05 -0.42 -0.45 1.96 0.00 0.00 0.00 179.25 180.28 1pyt h GLN 291 N 0.08 -1.14 -0.91 0.00 4.20 0.00 -0.99 115.11 116.35 1pyt h GLN 291 Ca 0.06 0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1pyt h GLN 291 Cb 0.06 0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1pyt h GLN 291 CO -0.09 -0.76 0.60 1.05 -0.67 0.00 0.00 178.83 178.96 1pyt h GLU 292 N -1.19 1.16 -0.27 1.46 4.11 -1.30 -1.02 114.58 117.53 1pyt h GLU 292 Ca -0.11 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.20 1pyt h GLU 292 Cb 0.93 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1pyt h GLU 292 CO 0.15 0.77 -0.06 1.15 0.07 0.00 0.00 179.01 181.09 1pyt h THR 293 N 1.19 1.19 -0.21 -1.06 2.02 -0.96 -2.76 112.91 112.33 1pyt h THR 293 Ca 0.34 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1pyt h THR 293 Cb -0.08 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1pyt h THR 293 CO -0.09 0.26 0.07 -0.25 0.37 0.00 0.00 175.52 175.89 1pyt h TRP 294 N 0.40 0.13 -0.33 3.16 -0.00 0.17 -0.68 115.95 118.80 1pyt h TRP 294 Ca 0.08 0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.03 1pyt h TRP 294 Cb 0.36 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.16 29.45 1pyt h TRP 294 CO 0.01 0.07 0.10 -0.07 -0.00 0.00 0.00 178.44 178.55 1pyt h LEU 295 N 0.17 0.09 -1.21 0.65 4.07 -1.18 0.38 115.31 118.28 1pyt h LEU 295 Ca 0.09 0.04 -0.08 0.00 0.08 0.00 0.00 57.88 58.01 1pyt h LEU 295 Cb 0.06 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1pyt h LEU 295 CO -0.09 0.09 -0.39 1.23 -1.08 0.00 0.00 178.44 178.19 1pyt h GLY 296 N 0.23 0.00 0.64 0.83 0.00 -1.37 -2.69 103.07 100.72 1pyt h GLY 296 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 1pyt h GLY 296 CO -0.17 0.00 -0.20 -2.08 0.00 0.00 0.00 176.54 174.09 1pyt h VAL 297 N 0.00 1.41 -0.84 4.60 2.07 -0.09 -3.09 116.25 120.32 1pyt h VAL 297 Ca -0.00 -1.54 0.16 0.00 0.82 0.00 0.00 66.70 66.14 1pyt h VAL 297 Cb 0.70 2.22 -0.10 0.00 -1.52 0.00 0.00 31.29 32.59 1pyt h VAL 297 CO 0.05 0.44 0.41 0.25 0.02 0.00 0.00 177.57 178.73 1pyt h LEU 298 N -0.21 0.45 -0.18 2.57 6.46 -0.16 0.89 115.31 125.13 1pyt h LEU 298 Ca -0.00 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1pyt h LEU 298 Cb 0.80 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.73 1pyt h LEU 298 CO 0.04 0.16 -0.13 0.74 -0.62 0.00 0.00 178.44 178.64 1pyt h THR 299 N 0.55 0.63 -0.48 1.05 2.02 -1.47 0.21 112.91 115.42 1pyt h THR 299 Ca 0.47 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.65 1pyt h THR 299 Cb 0.72 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1pyt h THR 299 CO -0.40 0.00 0.28 0.40 0.37 0.00 0.00 175.52 176.17 1pyt h ILE 300 N -0.13 1.15 -0.18 3.11 2.04 -0.78 0.90 117.51 123.62 1pyt h ILE 300 Ca 0.11 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1pyt h ILE 300 Cb 0.29 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1pyt h ILE 300 CO -0.26 0.16 0.06 0.24 0.00 0.00 0.00 178.15 178.35 1pyt h MET 301 N 0.64 0.14 -0.72 2.37 2.86 -0.87 0.42 114.93 119.78 1pyt h MET 301 Ca 0.17 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1pyt h MET 301 Cb 0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 1pyt h MET 301 CO -0.03 0.09 0.47 1.49 1.06 0.00 0.00 176.91 179.99 1pyt h GLU 302 N 0.14 0.80 -0.20 1.72 4.81 -0.05 0.22 114.58 122.03 1pyt h GLU 302 Ca 0.08 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1pyt h GLU 302 Cb 0.06 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1pyt h GLU 302 CO -0.09 0.53 -0.16 1.25 -0.73 0.00 0.00 179.01 179.81 1pyt h HIS 303 N 0.82 0.55 -0.01 0.92 2.76 0.12 -2.41 115.15 117.91 1pyt h HIS 303 Ca 0.29 -0.16 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1pyt h HIS 303 Cb 0.13 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 28.92 1pyt h HIS 303 CO -0.00 0.80 -0.29 1.15 -1.30 0.00 0.00 177.93 178.29 1pyt h THR 304 N 0.14 0.36 -0.74 6.26 2.02 -0.03 0.38 112.91 121.31 1pyt h THR 304 Ca 0.04 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.37 1pyt h THR 304 Cb 0.69 0.36 -0.11 0.00 -1.74 0.00 0.00 68.15 67.35 1pyt h THR 304 CO 0.04 0.00 0.20 0.25 0.37 0.00 0.00 175.52 176.38 1pyt h LEU 305 N -0.43 0.05 -0.47 2.58 5.85 -0.56 0.58 115.31 122.90 1pyt h LEU 305 Ca 0.06 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1pyt h LEU 305 Cb 0.52 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1pyt h LEU 305 CO -0.25 -0.02 -0.45 0.78 -0.34 0.00 0.00 178.44 178.16 1pyt h ASN 306 N 0.29 0.00 -0.53 1.25 2.35 -0.99 -3.31 115.58 114.64 1pyt h ASN 306 Ca 0.42 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.87 1pyt h ASN 306 Cb 0.70 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.90 1pyt h ASN 306 CO -0.50 0.45 0.04 0.59 -1.65 0.00 0.00 177.43 176.36 1pyt n ASN 307 N -3.37 3.19 -4.56 5.81 3.02 0.09 -5.05 115.26 114.39 1pyt n ASN 307 Ca 0.01 -3.77 -0.46 0.00 -0.03 0.00 0.00 54.58 50.33 1pyt n ASN 307 Cb 0.63 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1pyt n ASN 307 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pyt n LEU 308 N -1.09 1.35 0.00 3.41 4.77 -0.32 -4.95 117.00 120.18 1pyt n LEU 308 Ca 0.40 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.55 1pyt n LEU 308 Cb 1.11 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1pyt n LEU 308 CO 0.31 -1.57 0.00 0.00 -1.33 0.00 0.00 177.39 174.80