#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n80 s TYR 8 N 0.00 3.53 -0.24 1.39 4.12 -1.26 -5.07 117.35 119.82 1n80 s TYR 8 Ca 0.00 0.64 0.01 0.00 0.02 0.00 0.00 57.07 57.75 1n80 s TYR 8 Cb 0.00 -2.26 0.06 0.00 -1.52 0.00 0.00 41.96 38.25 1n80 s TYR 8 CO 0.00 0.40 -0.06 1.03 0.02 0.00 0.00 175.55 176.94 1n80 s ARG 9 N -0.07 1.75 0.38 -0.62 0.52 -1.26 -5.11 118.95 114.55 1n80 s ARG 9 Ca 0.17 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1n80 s ARG 9 Cb -0.13 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 1n80 s ARG 9 CO 0.05 -0.61 0.09 0.00 0.02 0.00 0.00 175.30 174.85 1n80 s ALA 10 N 1.31 2.79 -0.10 2.13 0.00 -1.26 -5.17 121.76 121.47 1n80 s ALA 10 Ca -0.06 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.08 1n80 s ALA 10 Cb -0.19 0.64 0.11 0.00 0.00 0.00 0.00 23.12 23.67 1n80 s ALA 10 CO -0.06 -0.29 0.89 0.96 0.00 0.00 0.00 175.76 177.25 1n80 s ILE 11 N -3.21 0.00 -0.14 0.00 -5.25 -1.26 -5.14 121.20 106.20 1n80 s ILE 11 Ca 0.28 0.00 -0.12 0.00 -0.99 0.00 0.00 60.65 59.82 1n80 s ILE 11 Cb 0.05 -1.00 -0.05 0.00 2.95 0.00 0.00 42.46 44.42 1n80 s ILE 11 CO 0.14 0.00 0.24 0.68 -1.79 0.00 0.00 174.94 174.21 1n80 s VAL 12 N -1.56 5.34 0.75 8.37 -7.23 -1.26 -5.08 120.40 119.73 1n80 s VAL 12 Ca -0.03 0.43 -0.10 0.00 -1.81 0.00 0.00 61.98 60.47 1n80 s VAL 12 Cb -0.00 -3.56 0.06 0.00 0.56 0.00 0.00 36.38 33.44 1n80 s VAL 12 CO 0.01 0.47 1.10 0.42 -0.31 0.00 0.00 175.10 176.80 1n80 s THR 13 N -0.04 2.38 -0.02 5.32 -4.23 -1.26 -4.93 115.64 112.85 1n80 s THR 13 Ca 0.15 -0.01 0.31 0.00 -1.18 0.00 0.00 61.69 60.95 1n80 s THR 13 Cb -0.13 -3.09 0.33 0.00 1.34 0.00 0.00 72.50 70.95 1n80 s THR 13 CO 0.04 -0.11 1.92 0.77 -0.54 0.00 0.00 174.62 176.70 1n80 h SER 14 N -0.82 0.00 0.79 3.99 4.64 -2.02 -1.85 113.55 118.29 1n80 h SER 14 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1n80 h SER 14 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1n80 h SER 14 CO 0.64 0.00 -0.18 0.11 -0.87 0.00 0.00 176.83 176.53 1n80 h LYS 15 N 0.00 0.00 0.00 4.77 6.56 -1.93 -2.72 116.57 123.25 1n80 h LYS 15 Ca 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 1n80 h LYS 15 Cb 0.29 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.93 1n80 h LYS 15 CO 0.00 0.18 -0.59 0.35 -2.06 0.00 0.00 179.45 177.33 1n80 h PHE 16 N 0.00 0.00 -0.30 -1.35 -0.00 -1.70 -2.35 116.94 111.25 1n80 h PHE 16 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.94 1n80 h PHE 16 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.56 1n80 h PHE 16 CO 0.00 0.59 0.08 0.00 -0.00 0.00 0.00 178.31 178.98 1n80 h ARG 17 N 0.00 0.47 -0.71 1.11 3.08 -1.61 0.15 114.38 116.87 1n80 h ARG 17 Ca -0.01 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1n80 h ARG 17 Cb 1.06 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 1n80 h ARG 17 CO 0.08 0.54 0.45 1.15 -1.07 0.00 0.00 179.97 181.12 1n80 h THR 18 N 0.32 1.12 -0.02 2.04 2.02 -1.59 -2.45 112.91 114.34 1n80 h THR 18 Ca 0.09 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.00 1n80 h THR 18 Cb 0.27 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1n80 h THR 18 CO -0.00 0.16 -0.24 -0.08 0.37 0.00 0.00 175.52 175.74 1n80 h GLU 19 N 0.90 -0.35 -0.71 6.66 4.57 -0.86 0.95 114.58 125.74 1n80 h GLU 19 Ca 0.28 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1n80 h GLU 19 Cb -0.02 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1n80 h GLU 19 CO -0.09 -0.23 0.40 0.87 -1.18 0.00 0.00 179.01 178.77 1n80 h LYS 20 N -0.36 0.98 -0.19 1.92 1.57 -0.74 0.39 116.57 120.13 1n80 h LYS 20 Ca 0.07 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1n80 h LYS 20 Cb 0.45 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1n80 h LYS 20 CO -0.23 0.72 0.08 1.98 -0.57 0.00 0.00 179.45 181.43 1n80 h MET 21 N 0.99 0.29 -0.27 3.15 4.05 -0.95 -2.06 114.93 120.13 1n80 h MET 21 Ca 0.25 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.55 1n80 h MET 21 Cb 0.01 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1n80 h MET 21 CO -0.04 0.34 -0.14 1.25 0.23 0.00 0.00 176.91 178.55 1n80 h LEU 22 N 0.17 0.44 -0.52 3.39 5.85 -0.34 -1.84 115.31 122.46 1n80 h LEU 22 Ca 0.07 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1n80 h LEU 22 Cb 0.16 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1n80 h LEU 22 CO -0.01 0.61 0.31 0.78 -0.34 0.00 0.00 178.44 179.79 1n80 h ASN 23 N 0.42 0.62 -0.10 1.25 2.35 -0.61 0.74 115.58 120.26 1n80 h ASN 23 Ca 0.08 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1n80 h ASN 23 Cb 0.49 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1n80 h ASN 23 CO 0.03 0.50 0.05 0.15 -1.65 0.00 0.00 177.43 176.51 1n80 h PHE 24 N 0.69 0.15 -0.87 1.19 3.04 -1.10 0.78 116.94 120.82 1n80 h PHE 24 Ca 0.18 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1n80 h PHE 24 Cb -0.01 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.42 1n80 h PHE 24 CO -0.03 0.21 0.58 -0.92 -2.02 0.00 0.00 178.31 176.13 1n80 h TYR 25 N 0.03 1.09 0.00 0.41 3.20 -1.09 -2.26 116.97 118.35 1n80 h TYR 25 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1n80 h TYR 25 Cb 0.12 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.03 1n80 h TYR 25 CO -0.03 0.68 0.00 -0.91 -1.64 0.00 0.00 178.16 176.26 1n80 h ASN 26 N 1.17 0.00 1.16 -2.11 2.35 -0.64 -3.17 115.58 114.34 1n80 h ASN 26 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1n80 h ASN 26 Cb -0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1n80 h ASN 26 CO -0.07 0.00 0.00 0.77 -1.65 0.00 0.00 177.43 176.48 1n80 h SER 27 N 0.00 0.00 -3.46 5.81 4.64 -0.21 -3.45 113.55 116.87 1n80 h SER 27 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1n80 h SER 27 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1n80 h SER 27 CO 0.00 0.00 0.44 -0.63 -0.87 0.00 0.00 176.83 175.77 1n80 s ILE 28 N -3.32 4.26 0.00 0.95 1.01 -1.20 -0.74 121.20 122.16 1n80 s ILE 28 Ca 0.06 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1n80 s ILE 28 Cb 0.09 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1n80 s ILE 28 CO 0.52 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.30 1n80 n GLY 29 N 2.49 1.64 3.65 6.18 0.00 -0.23 -4.89 105.19 114.04 1n80 n GLY 29 Ca 0.04 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1n80 n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n80 s SER 30 N 0.00 6.70 0.00 1.61 1.04 -1.26 -4.03 113.70 117.76 1n80 s SER 30 Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1n80 s SER 30 Cb 0.00 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1n80 s SER 30 CO 0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1n80 n GLY 31 N 3.83 4.21 0.33 7.32 0.00 -1.25 -4.87 105.19 114.75 1n80 n GLY 31 Ca -0.00 -0.68 0.23 0.00 0.00 0.00 0.00 46.02 45.56 1n80 n GLY 31 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n80 h PRO 32 N 0.00 0.05 0.00 1.61 0.11 -2.00 0.25 132.00 132.02 1n80 h PRO 32 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1n80 h PRO 32 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1n80 h PRO 32 CO 0.00 0.03 -0.94 -0.40 -0.21 0.00 0.00 178.00 176.48 1n80 n ASP 33 N -5.33 0.63 -4.62 -2.05 5.75 -1.26 -4.84 116.55 104.83 1n80 n ASP 33 Ca 0.30 -0.28 -0.38 0.00 -0.01 0.00 0.00 54.79 54.43 1n80 n ASP 33 Cb 1.01 0.72 -0.09 0.00 -1.03 0.00 0.00 41.12 41.73 1n80 n ASP 33 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1n80 s LYS 34 N -3.15 4.03 0.83 0.11 -0.14 0.87 -5.03 119.74 117.27 1n80 s LYS 34 Ca 0.05 -0.09 -0.11 0.00 -1.36 0.00 0.00 55.97 54.46 1n80 s LYS 34 Cb 0.15 -3.62 0.09 0.00 -1.68 0.00 0.00 37.83 32.77 1n80 s LYS 34 CO 0.79 -0.15 1.10 -0.80 -0.76 0.00 0.00 175.35 175.53 1n80 s ASN 35 N 1.48 3.96 0.27 2.83 0.01 0.08 -3.87 114.94 119.69 1n80 s ASN 35 Ca 0.12 1.79 0.12 0.00 -0.71 0.00 0.00 52.86 54.17 1n80 s ASN 35 Cb -0.15 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 1n80 s ASN 35 CO 0.09 -2.38 -0.19 0.42 -1.51 0.00 0.00 177.10 173.53 1n80 s THR 36 N -2.87 2.41 -0.05 1.60 -4.23 -1.26 -1.07 115.64 110.18 1n80 s THR 36 Ca 0.63 -2.39 -0.02 0.00 -1.18 0.00 0.00 61.69 58.72 1n80 s THR 36 Cb -0.18 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.41 1n80 s THR 36 CO 0.57 -0.42 0.10 -0.51 -0.54 0.00 0.00 174.62 173.82 1n80 s ILE 37 N -2.55 -0.04 0.08 2.99 2.07 -1.26 -1.87 121.20 120.62 1n80 s ILE 37 Ca 0.29 0.14 0.09 0.00 -1.41 0.00 0.00 60.65 59.76 1n80 s ILE 37 Cb -0.05 -0.17 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 1n80 s ILE 37 CO 0.14 0.06 -0.24 -0.36 -1.91 0.00 0.00 174.94 172.63 1n80 s PHE 38 N 0.83 2.06 -0.18 3.50 0.40 -0.23 -0.76 117.98 123.60 1n80 s PHE 38 Ca -0.06 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1n80 s PHE 38 Cb -0.09 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 1n80 s PHE 38 CO -0.04 0.19 -0.05 -1.50 0.70 0.00 0.00 175.22 174.52 1n80 s ILE 39 N -0.94 3.58 0.22 0.64 -1.16 -0.55 -0.70 121.20 122.29 1n80 s ILE 39 Ca 0.10 -0.45 0.09 0.00 -0.51 0.00 0.00 60.65 59.88 1n80 s ILE 39 Cb -0.10 -2.59 -0.04 0.00 0.61 0.00 0.00 42.46 40.34 1n80 s ILE 39 CO 0.03 0.46 -0.02 0.42 -2.81 0.00 0.00 174.94 173.03 1n80 s THR 40 N 0.82 3.48 0.06 4.00 -4.23 -0.10 -1.01 115.64 118.66 1n80 s THR 40 Ca -0.01 -1.71 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1n80 s THR 40 Cb -0.15 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1n80 s THR 40 CO 0.02 -0.24 -0.09 0.72 -0.54 0.00 0.00 174.62 174.49 1n80 s PHE 41 N -2.01 0.83 -0.01 3.99 -0.12 -0.88 -2.29 117.98 117.50 1n80 s PHE 41 Ca 0.29 -0.56 -0.02 0.00 -0.05 0.00 0.00 56.93 56.58 1n80 s PHE 41 Cb -0.08 -0.48 0.01 0.00 -0.63 0.00 0.00 43.02 41.84 1n80 s PHE 41 CO 0.18 -0.06 0.11 0.41 -0.05 0.00 0.00 175.22 175.82 1n80 n GLY 42 N 1.14 0.47 2.10 1.99 0.00 0.23 0.57 105.19 111.68 1n80 n GLY 42 Ca -0.20 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 1n80 n GLY 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n80 n ARG 43 N -0.08 -2.35 0.05 1.61 0.63 0.45 -0.41 116.66 116.57 1n80 n ARG 43 Ca 0.00 2.02 -0.17 0.00 -0.92 0.00 0.00 57.85 58.78 1n80 n ARG 43 Cb 0.05 -3.22 -0.14 0.00 0.45 0.00 0.00 32.46 29.60 1n80 n ARG 43 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1n80 h SER 44 N 2.07 0.39 -2.95 6.15 0.02 -1.81 -3.00 113.55 114.41 1n80 h SER 44 Ca -0.24 -0.58 -0.53 0.00 -0.84 0.00 0.00 61.79 59.60 1n80 h SER 44 Cb 0.55 -0.13 0.03 0.00 0.14 0.00 0.00 62.40 62.99 1n80 h SER 44 CO 0.02 1.49 0.77 -1.83 -1.14 0.00 0.00 176.83 176.14 1n80 s GLU 45 N -2.61 4.29 0.65 3.45 -1.05 -1.26 -4.71 118.70 117.47 1n80 s GLU 45 Ca -0.11 2.15 -0.17 0.00 -0.15 0.00 0.00 54.97 56.69 1n80 s GLU 45 Cb 0.07 -3.23 -0.03 0.00 -0.44 0.00 0.00 34.13 30.49 1n80 s GLU 45 CO 0.84 -0.49 0.86 -0.35 0.95 0.00 0.00 175.26 177.08 1n80 n PRO 46 N 3.99 0.66 -0.04 -4.83 -0.04 -1.26 -4.93 135.00 128.54 1n80 n PRO 46 Ca 0.12 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1n80 n PRO 46 Cb 0.41 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.70 1n80 n PRO 46 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1n80 h TRP 47 N 0.12 0.23 -1.96 0.54 4.06 -1.97 -3.48 115.95 113.49 1n80 h TRP 47 Ca -0.48 -0.06 0.15 0.00 2.06 0.00 0.00 58.89 60.56 1n80 h TRP 47 Cb 1.36 -0.05 -0.17 0.00 -1.00 0.00 0.00 29.16 29.30 1n80 h TRP 47 CO 0.37 0.60 0.59 -1.54 -3.56 0.00 0.00 178.44 174.89 1n80 s SER 48 N -5.89 -0.30 0.48 -3.49 1.04 -1.26 -5.04 113.70 99.25 1n80 s SER 48 Ca -0.15 0.05 0.24 0.00 0.48 0.00 0.00 55.95 56.58 1n80 s SER 48 Cb 0.04 0.31 1.33 0.00 0.10 0.00 0.00 66.02 67.80 1n80 s SER 48 CO 0.71 -0.47 1.72 0.77 0.98 0.00 0.00 173.24 176.95 1n80 h SER 49 N 2.07 0.00 -0.21 7.02 4.64 -2.04 -1.07 113.55 123.96 1n80 h SER 49 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1n80 h SER 49 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1n80 h SER 49 CO 0.29 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.79 1n80 n ASN 50 N -2.50 2.72 0.01 4.97 2.04 -1.26 -4.54 115.26 116.69 1n80 n ASN 50 Ca -0.02 -1.88 0.21 0.00 -0.44 0.00 0.00 54.58 52.46 1n80 n ASN 50 Cb 0.25 -0.13 0.72 0.00 -2.53 0.00 0.00 39.78 38.09 1n80 n ASN 50 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1n80 h GLU 51 N 3.76 0.00 -0.18 -3.83 4.11 -1.60 -2.13 114.58 114.72 1n80 h GLU 51 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1n80 h GLU 51 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1n80 h GLU 51 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 1n80 n ASN 52 N -4.14 1.48 -4.86 3.06 4.13 -1.26 -4.68 115.26 108.99 1n80 n ASN 52 Ca 0.10 -1.74 -0.32 0.00 1.68 0.00 0.00 54.58 54.31 1n80 n ASN 52 Cb 0.65 -0.11 -0.05 0.00 -1.54 0.00 0.00 39.78 38.72 1n80 n ASN 52 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1n80 s GLU 53 N -1.77 3.91 0.29 3.52 2.02 -0.80 -5.02 118.70 120.85 1n80 s GLU 53 Ca 0.29 0.59 -0.29 0.00 0.02 0.00 0.00 54.97 55.58 1n80 s GLU 53 Cb 0.16 -2.41 -0.10 0.00 0.10 0.00 0.00 34.13 31.87 1n80 s GLU 53 CO 0.23 0.07 1.42 0.54 0.02 0.00 0.00 175.26 177.54 1n80 s VAL 54 N -2.16 2.56 0.00 2.63 0.11 -1.26 -2.27 120.40 120.01 1n80 s VAL 54 Ca 0.53 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 1n80 s VAL 54 Cb -0.10 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.42 1n80 s VAL 54 CO 0.23 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.71 1n80 n GLY 55 N 1.55 0.84 3.76 6.54 0.00 -1.26 -5.02 105.19 111.59 1n80 n GLY 55 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1n80 n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n80 s PHE 56 N -3.27 2.45 -0.10 1.61 5.36 -0.96 -5.03 117.98 118.03 1n80 s PHE 56 Ca 0.00 1.53 -0.03 0.00 -0.96 0.00 0.00 56.93 57.46 1n80 s PHE 56 Cb 0.00 -3.42 0.05 0.00 -0.34 0.00 0.00 43.02 39.31 1n80 s PHE 56 CO 0.00 -2.06 0.16 0.00 -1.46 0.00 0.00 175.22 171.85 1n80 s ALA 57 N -1.70 -0.12 0.92 11.12 0.00 -1.26 -4.90 121.76 125.82 1n80 s ALA 57 Ca 0.76 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1n80 s ALA 57 Cb -0.28 -0.86 0.14 0.00 0.00 0.00 0.00 23.12 22.12 1n80 s ALA 57 CO 0.33 -0.65 1.10 -1.25 0.00 0.00 0.00 175.76 175.29 1n80 s PRO 58 N 2.28 1.08 0.77 0.00 0.04 -1.26 -5.00 135.00 132.91 1n80 s PRO 58 Ca 0.03 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 1n80 s PRO 58 Cb -0.13 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.66 1n80 s PRO 58 CO -0.06 -2.30 1.08 -1.25 0.04 0.00 0.00 177.00 174.51 1n80 s PRO 59 N -5.04 2.29 0.41 0.56 0.04 -1.26 -4.98 135.00 127.01 1n80 s PRO 59 Ca 0.64 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 1n80 s PRO 59 Cb -0.17 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1n80 s PRO 59 CO 0.56 -1.58 1.28 0.71 0.04 0.00 0.00 177.00 178.01 1n80 s TYR 60 N -2.96 2.84 0.75 0.56 1.51 -1.26 -4.73 117.35 114.05 1n80 s TYR 60 Ca 0.61 1.44 -0.11 0.00 -1.01 0.00 0.00 57.07 57.99 1n80 s TYR 60 Cb -0.16 -3.62 0.04 0.00 -0.11 0.00 0.00 41.96 38.10 1n80 s TYR 60 CO 0.56 -1.98 1.08 -1.25 -1.11 0.00 0.00 175.55 172.85 1n80 s PRO 61 N -2.29 2.51 -0.08 -1.71 0.04 -1.26 -5.04 135.00 127.17 1n80 s PRO 61 Ca 0.58 0.76 0.02 0.00 0.04 0.00 0.00 61.00 62.40 1n80 s PRO 61 Cb -0.37 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1n80 s PRO 61 CO 0.47 -1.35 -0.13 0.99 0.04 0.00 0.00 177.00 177.01 1n80 s THR 62 N -3.12 3.10 -0.92 1.26 2.01 -1.26 -5.07 115.64 111.64 1n80 s THR 62 Ca 0.59 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 1n80 s THR 62 Cb -0.14 -2.25 0.12 0.00 0.01 0.00 0.00 72.50 70.24 1n80 s THR 62 CO 0.54 0.57 1.15 -0.62 -0.69 0.00 0.00 174.62 175.57 1n80 s ASP 63 N -0.37 6.58 -0.19 3.53 3.68 -1.26 -4.13 116.67 124.51 1n80 s ASP 63 Ca 0.04 -1.91 -0.35 0.00 2.13 0.00 0.00 52.55 52.46 1n80 s ASP 63 Cb -0.12 -2.42 0.14 0.00 -1.45 0.00 0.00 42.92 39.07 1n80 s ASP 63 CO 0.02 -1.13 1.21 -0.94 0.13 0.00 0.00 175.17 174.46 1n80 s SER 64 N 3.77 -0.13 0.29 -0.34 1.04 -1.26 -4.97 113.70 112.10 1n80 s SER 64 Ca 0.33 0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.79 1n80 s SER 64 Cb -0.05 0.14 0.73 0.00 0.10 0.00 0.00 66.02 66.94 1n80 s SER 64 CO -0.08 -0.23 1.64 0.58 0.98 0.00 0.00 173.24 176.13 1n80 h VAL 65 N 2.00 0.27 -0.21 5.02 2.07 -1.99 0.29 116.25 123.70 1n80 h VAL 65 Ca -0.09 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1n80 h VAL 65 Cb 1.16 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1n80 h VAL 65 CO 0.23 0.03 -0.04 0.25 0.02 0.00 0.00 177.57 178.05 1n80 h LEU 66 N 0.18 -0.18 -0.29 2.57 5.85 -1.95 0.10 115.31 121.59 1n80 h LEU 66 Ca 0.56 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.33 1n80 h LEU 66 Cb 1.15 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1n80 h LEU 66 CO -0.69 -0.06 0.13 1.23 -0.34 0.00 0.00 178.44 178.72 1n80 h GLY 67 N 0.01 0.46 0.85 3.75 0.00 -0.65 0.24 103.07 107.73 1n80 h GLY 67 Ca 0.10 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1n80 h GLY 67 CO -0.21 0.22 0.19 -2.08 0.00 0.00 0.00 176.54 174.66 1n80 h VAL 68 N 0.33 1.00 -0.26 4.60 2.07 -0.91 0.17 116.25 123.25 1n80 h VAL 68 Ca 0.10 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1n80 h VAL 68 Cb 0.14 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1n80 h VAL 68 CO -0.01 0.07 0.05 0.74 0.02 0.00 0.00 177.57 178.44 1n80 h THR 69 N 0.39 0.87 -0.88 2.57 2.02 -0.43 -0.95 112.91 116.50 1n80 h THR 69 Ca 0.15 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.29 1n80 h THR 69 Cb 0.05 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1n80 h THR 69 CO -0.10 0.03 0.58 -0.78 0.37 0.00 0.00 175.52 175.62 1n80 h ASP 70 N 0.15 1.01 -0.58 4.18 1.82 0.13 -0.25 116.42 122.86 1n80 h ASP 70 Ca 0.12 -0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 1n80 h ASP 70 Cb 0.13 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.86 1n80 h ASP 70 CO -0.16 0.73 0.21 -0.03 -1.61 0.00 0.00 179.24 178.37 1n80 h MET 71 N 1.19 0.89 -0.25 0.28 4.05 0.18 -2.56 114.93 118.71 1n80 h MET 71 Ca 0.32 -0.18 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1n80 h MET 71 Cb -0.13 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.52 1n80 h MET 71 CO -0.07 0.78 0.04 -1.49 0.23 0.00 0.00 176.91 176.39 1n80 h TRP 72 N 0.81 0.44 -0.65 1.39 4.06 -0.52 -1.94 115.95 119.55 1n80 h TRP 72 Ca 0.19 -0.06 0.08 0.00 2.06 0.00 0.00 58.89 61.15 1n80 h TRP 72 Cb 0.24 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.24 1n80 h TRP 72 CO 0.01 0.54 0.43 1.15 -3.56 0.00 0.00 178.44 177.01 1n80 h THR 73 N 0.22 0.97 -0.01 1.49 2.02 -0.96 -2.23 112.91 114.41 1n80 h THR 73 Ca 0.08 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1n80 h THR 73 Cb 0.34 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1n80 h THR 73 CO 0.01 0.11 -0.44 1.41 0.37 0.00 0.00 175.52 176.97 1n80 n HIS 74 N -4.48 0.00 -1.74 3.16 8.25 -0.97 -4.98 115.22 114.46 1n80 n HIS 74 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 1n80 n HIS 74 Cb 0.28 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 1n80 n HIS 74 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1n80 n MET 75 N -0.37 2.45 -0.00 -0.41 0.00 -0.74 -0.41 117.12 117.64 1n80 n MET 75 Ca 0.10 0.86 0.02 0.00 0.00 0.00 0.00 57.70 58.68 1n80 n MET 75 Cb 0.42 -2.55 -0.03 0.00 0.00 0.00 0.00 33.22 31.06 1n80 n MET 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1n80 n MET 76 N 0.96 0.67 -3.63 2.12 2.81 0.19 -4.83 117.12 115.42 1n80 n MET 76 Ca 0.05 -0.04 -0.02 0.00 -1.81 0.00 0.00 57.70 55.88 1n80 n MET 76 Cb 0.37 -1.06 -0.01 0.00 -0.71 0.00 0.00 33.22 31.81 1n80 n MET 76 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1n80 s GLY 77 N -2.38 -0.35 -0.05 3.03 0.00 -1.12 -4.57 107.32 101.87 1n80 s GLY 77 Ca -0.01 0.80 -0.04 0.00 0.00 0.00 0.00 44.72 45.47 1n80 s GLY 77 CO 0.18 0.21 0.12 -0.51 0.00 0.00 0.00 173.10 173.10 1n80 s THR 78 N -2.68 -0.01 -0.01 0.90 -4.23 -0.74 -2.07 115.64 106.80 1n80 s THR 78 Ca 0.12 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1n80 s THR 78 Cb 0.02 -0.18 -0.01 0.00 1.34 0.00 0.00 72.50 73.66 1n80 s THR 78 CO -0.03 0.01 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.19 1n80 s VAL 79 N 0.22 1.39 -0.09 2.29 1.01 -0.18 -1.76 120.40 123.27 1n80 s VAL 79 Ca -0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1n80 s VAL 79 Cb -0.02 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1n80 s VAL 79 CO -0.01 0.37 1.03 -0.75 0.00 0.00 0.00 175.10 175.75 1n80 s LYS 80 N -0.47 4.42 -0.04 2.72 2.20 0.33 -1.48 119.74 127.42 1n80 s LYS 80 Ca 0.07 1.44 -0.21 0.00 -0.36 0.00 0.00 55.97 56.91 1n80 s LYS 80 Cb -0.07 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1n80 s LYS 80 CO -0.01 -0.32 0.59 0.08 -0.36 0.00 0.00 175.35 175.33 1n80 s VAL 81 N 1.98 5.00 0.29 4.02 1.01 0.06 -4.97 120.40 127.79 1n80 s VAL 81 Ca 0.50 1.22 0.07 0.00 0.00 0.00 0.00 61.98 63.77 1n80 s VAL 81 Cb -0.19 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1n80 s VAL 81 CO 0.19 0.36 0.23 -0.76 0.00 0.00 0.00 175.10 175.12 1n80 s LEU 82 N 0.20 3.71 0.30 3.92 1.43 -1.26 -4.51 118.68 122.47 1n80 s LEU 82 Ca 0.31 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1n80 s LEU 82 Cb -0.17 -2.27 0.61 0.00 0.03 0.00 0.00 46.19 44.38 1n80 s LEU 82 CO 0.16 -0.16 1.86 -0.65 0.23 0.00 0.00 176.35 177.78 1n80 h PRO 83 N 1.41 0.91 0.00 1.29 0.11 -1.94 -1.29 132.00 132.48 1n80 h PRO 83 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n80 h PRO 83 Cb 1.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1n80 h PRO 83 CO 0.60 0.60 0.00 0.66 -0.21 0.00 0.00 178.00 179.65 1n80 h SER 84 N 0.94 0.00 -0.13 -2.05 4.64 -1.99 -1.02 113.55 113.94 1n80 h SER 84 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1n80 h SER 84 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1n80 h SER 84 CO -0.22 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.97 1n80 n MET 85 N -2.30 1.89 -4.22 4.77 2.81 -0.49 -4.86 117.12 114.72 1n80 n MET 85 Ca -0.01 -1.31 -0.34 0.00 -1.81 0.00 0.00 57.70 54.22 1n80 n MET 85 Cb 0.05 -1.45 -0.14 0.00 -0.71 0.00 0.00 33.22 30.98 1n80 n MET 85 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1n80 s LEU 86 N -1.75 2.87 0.01 4.03 1.43 -0.39 0.13 118.68 125.01 1n80 s LEU 86 Ca 0.34 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1n80 s LEU 86 Cb 0.20 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 1n80 s LEU 86 CO 0.30 0.06 -0.24 -1.81 0.23 0.00 0.00 176.35 174.88 1n80 s ASP 87 N 1.00 2.90 0.16 2.29 1.01 -0.61 -4.94 116.67 118.48 1n80 s ASP 87 Ca -0.00 -0.50 -0.24 0.00 0.71 0.00 0.00 52.55 52.52 1n80 s ASP 87 Cb -0.15 -0.29 -0.08 0.00 1.01 0.00 0.00 42.92 43.41 1n80 s ASP 87 CO -0.00 0.27 0.74 0.00 0.21 0.00 0.00 175.17 176.39 1n80 s ALA 88 N -0.67 3.47 0.14 5.23 0.00 -1.26 0.41 121.76 129.08 1n80 s ALA 88 Ca 0.10 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 1n80 s ALA 88 Cb -0.09 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 1n80 s ALA 88 CO 0.00 0.31 0.23 0.14 0.00 0.00 0.00 175.76 176.44 1n80 s VAL 89 N -1.17 0.09 0.05 0.00 -7.23 -0.34 -1.17 120.40 110.63 1n80 s VAL 89 Ca 0.35 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1n80 s VAL 89 Cb -0.22 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1n80 s VAL 89 CO 0.25 -0.40 -0.02 0.27 -0.31 0.00 0.00 175.10 174.89 1n80 s ILE 90 N -3.96 0.21 0.24 -0.62 -4.36 -0.86 -4.03 121.20 107.82 1n80 s ILE 90 Ca 0.16 -1.71 -0.31 0.00 -0.26 0.00 0.00 60.65 58.53 1n80 s ILE 90 Cb 0.04 -1.39 -0.13 0.00 1.25 0.00 0.00 42.46 42.22 1n80 s ILE 90 CO -0.02 -0.94 1.38 -2.65 0.24 0.00 0.00 174.94 172.95 1n80 n PRO 91 N 0.25 1.97 -3.08 0.37 -0.02 -1.26 -1.89 135.00 131.34 1n80 n PRO 91 Ca -0.15 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 1n80 n PRO 91 Cb 0.60 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1n80 n PRO 91 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1n80 s ARG 92 N -0.48 4.39 -0.28 -0.52 3.52 0.11 -4.73 118.95 120.96 1n80 s ARG 92 Ca 0.68 0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 57.06 1n80 s ARG 92 Cb -0.66 -3.47 0.09 0.00 -1.56 0.00 0.00 34.95 29.35 1n80 s ARG 92 CO 0.50 0.01 0.07 0.50 -0.81 0.00 0.00 175.30 175.58 1n80 s ARG 93 N 1.01 0.75 -0.02 5.12 6.06 -1.26 -4.89 118.95 125.71 1n80 s ARG 93 Ca 0.35 -0.91 -0.20 0.00 -2.50 0.00 0.00 55.73 52.47 1n80 s ARG 93 Cb -0.17 -2.03 -0.05 0.00 0.06 0.00 0.00 34.95 32.75 1n80 s ARG 93 CO 0.16 -0.88 0.58 -0.51 -2.50 0.00 0.00 175.30 172.14 1n80 s ASP 94 N 1.67 6.94 0.27 -2.12 -0.00 -1.26 -1.01 116.67 121.16 1n80 s ASP 94 Ca 0.06 1.12 -0.29 0.00 -0.00 0.00 0.00 52.55 53.44 1n80 s ASP 94 Cb -0.17 -2.35 -0.10 0.00 -0.00 0.00 0.00 42.92 40.30 1n80 s ASP 94 CO -0.20 0.09 1.26 0.86 -0.00 0.00 0.00 175.17 177.17 1n80 s TRP 95 N -0.11 3.25 0.00 4.23 -0.00 -0.52 -3.46 118.94 122.34 1n80 s TRP 95 Ca 0.30 1.42 0.00 0.00 -0.00 0.00 0.00 56.10 57.82 1n80 s TRP 95 Cb -0.18 -3.55 0.00 0.00 -0.00 0.00 0.00 33.47 29.74 1n80 s TRP 95 CO 0.16 -1.54 0.00 0.41 -0.00 0.00 0.00 176.95 175.98 1n80 n GLY 96 N 1.46 0.49 3.55 5.86 0.00 -0.63 -4.46 105.19 111.47 1n80 n GLY 96 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1n80 n GLY 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n80 s ASP 97 N -2.42 5.60 0.00 1.61 3.68 -1.22 -4.79 116.67 119.13 1n80 s ASP 97 Ca 0.00 -0.13 0.23 0.00 2.13 0.00 0.00 52.55 54.78 1n80 s ASP 97 Cb 0.00 -2.54 1.21 0.00 -1.45 0.00 0.00 42.92 40.14 1n80 s ASP 97 CO 0.00 -2.20 1.76 0.35 0.13 0.00 0.00 175.17 175.21 1n80 n THR 98 N 7.01 0.23 1.40 1.71 -2.24 -1.26 -2.81 114.28 118.32 1n80 n THR 98 Ca 0.18 0.06 0.14 0.00 -2.27 0.00 0.00 64.05 62.15 1n80 n THR 98 Cb 0.50 -0.68 0.72 0.00 -2.10 0.00 0.00 70.33 68.78 1n80 n THR 98 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n80 n ARG 99 N -1.24 0.49 -4.46 -0.78 1.74 -1.26 -4.77 116.66 106.38 1n80 n ARG 99 Ca 0.12 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 57.00 1n80 n ARG 99 Cb 0.17 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 1n80 n ARG 99 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1n80 s TYR 100 N -2.46 1.83 0.93 -1.55 4.12 -1.12 -5.16 117.35 113.93 1n80 s TYR 100 Ca 0.29 -1.12 -0.16 0.00 0.02 0.00 0.00 57.07 56.10 1n80 s TYR 100 Cb 0.19 -1.18 0.23 0.00 -1.52 0.00 0.00 41.96 39.67 1n80 s TYR 100 CO 0.40 -0.16 0.96 -0.35 0.02 0.00 0.00 175.55 176.42 1n80 n PRO 101 N -0.75 -2.16 -3.93 -1.71 -0.04 -1.26 -4.27 135.00 120.88 1n80 n PRO 101 Ca -0.04 -1.51 -0.27 0.00 -0.04 0.00 0.00 63.50 61.64 1n80 n PRO 101 Cb 0.66 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 1n80 n PRO 101 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1n80 n ASP 102 N -4.24 0.13 0.10 3.54 10.43 -1.26 -4.82 116.55 120.43 1n80 n ASP 102 Ca 0.13 -1.00 0.15 0.00 2.57 0.00 0.00 54.79 56.63 1n80 n ASP 102 Cb 0.48 -1.26 0.65 0.00 1.84 0.00 0.00 41.12 42.83 1n80 n ASP 102 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 1n80 h PRO 103 N -1.06 0.04 0.00 -0.24 0.11 -1.78 -3.19 132.00 125.88 1n80 h PRO 103 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n80 h PRO 103 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1n80 h PRO 103 CO 0.60 0.02 -0.00 0.66 -0.21 0.00 0.00 178.00 179.07 1n80 n TYR 104 N -4.45 0.00 -4.99 0.65 4.01 -1.26 -1.60 117.16 109.51 1n80 n TYR 104 Ca 0.05 -0.27 -0.32 0.00 -0.16 0.00 0.00 57.90 57.19 1n80 n TYR 104 Cb 0.38 -0.03 -0.14 0.00 -0.31 0.00 0.00 39.34 39.24 1n80 n TYR 104 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1n80 s THR 105 N -0.55 2.74 0.00 -0.72 -4.23 -1.21 0.17 115.64 111.84 1n80 s THR 105 Ca 0.00 -0.83 -0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1n80 s THR 105 Cb 0.00 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 1n80 s THR 105 CO 0.00 0.57 0.03 -0.36 -0.54 0.00 0.00 174.62 174.33 1n80 s PHE 106 N -0.41 0.11 0.37 3.99 0.08 -1.26 -4.87 117.98 115.99 1n80 s PHE 106 Ca 0.04 -0.22 0.07 0.00 0.12 0.00 0.00 56.93 56.94 1n80 s PHE 106 Cb -0.12 -0.09 -0.00 0.00 -0.57 0.00 0.00 43.02 42.24 1n80 s PHE 106 CO 0.02 -0.16 0.52 1.03 -0.10 0.00 0.00 175.22 176.53 1n80 s ARG 107 N -0.96 3.00 0.67 0.44 0.52 -1.26 -4.47 118.95 116.88 1n80 s ARG 107 Ca -0.10 -1.09 -0.17 0.00 -0.52 0.00 0.00 55.73 53.84 1n80 s ARG 107 Cb -0.06 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 1n80 s ARG 107 CO -0.00 -0.08 1.16 -0.89 0.02 0.00 0.00 175.30 175.51 1n80 n ILE 108 N -1.74 4.13 -0.30 1.52 -0.00 -1.26 -2.62 119.36 119.10 1n80 n ILE 108 Ca 0.03 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.33 1n80 n ILE 108 Cb 0.58 -1.33 0.00 0.00 -0.00 0.00 0.00 39.64 38.89 1n80 n ILE 108 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1n80 n ASN 109 N -1.76 0.00 -4.69 4.38 3.02 -0.46 -4.98 115.26 110.78 1n80 n ASN 109 Ca 0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 1n80 n ASN 109 Cb 0.48 -0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 1n80 n ASN 109 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1n80 s ASP 110 N -2.90 6.61 -0.18 6.41 1.11 -1.08 -4.65 116.67 121.99 1n80 s ASP 110 Ca 0.00 2.49 -0.20 0.00 0.18 0.00 0.00 52.55 55.02 1n80 s ASP 110 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1n80 s ASP 110 CO 0.00 -0.88 0.60 -0.63 1.18 0.00 0.00 175.17 175.44 1n80 s ILE 111 N 2.51 5.06 0.02 0.77 1.01 -1.26 -1.12 121.20 128.18 1n80 s ILE 111 Ca 0.73 1.14 0.08 0.00 0.00 0.00 0.00 60.65 62.60 1n80 s ILE 111 Cb -0.40 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1n80 s ILE 111 CO 0.32 0.16 -0.24 -0.69 0.00 0.00 0.00 174.94 174.48 1n80 s VAL 112 N 1.65 2.27 -0.19 2.92 1.01 0.51 -4.48 120.40 124.08 1n80 s VAL 112 Ca 0.28 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1n80 s VAL 112 Cb -0.16 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1n80 s VAL 112 CO 0.11 0.43 0.06 -0.69 0.00 0.00 0.00 175.10 175.00 1n80 s VAL 113 N -0.77 4.68 0.32 2.92 1.01 -0.18 0.13 120.40 128.52 1n80 s VAL 113 Ca 0.12 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1n80 s VAL 113 Cb -0.10 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1n80 s VAL 113 CO 0.02 0.44 0.01 0.00 0.00 0.00 0.00 175.10 175.57 1n80 n ASN 115 N -0.70 -6.32 -0.04 0.00 5.15 -0.55 -0.05 115.26 112.76 1n80 n ASN 115 Ca -0.04 -0.49 0.01 0.00 -0.60 0.00 0.00 54.58 53.46 1n80 n ASN 115 Cb 0.65 -4.99 0.00 0.00 -0.53 0.00 0.00 39.78 34.92 1n80 n ASN 115 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1n80 n SER 116 N -2.88 0.71 -3.67 1.20 3.41 -1.26 -3.93 113.62 107.20 1n80 n SER 116 Ca -0.01 -0.86 -0.04 0.00 -0.26 0.00 0.00 58.87 57.70 1n80 n SER 116 Cb 0.57 0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.89 1n80 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n80 s ALA 117 N -0.50 -1.79 0.46 7.33 0.00 -1.26 -4.99 121.76 121.00 1n80 s ALA 117 Ca 0.01 0.49 0.21 0.00 0.00 0.00 0.00 51.96 52.67 1n80 s ALA 117 Cb 0.01 0.52 1.20 0.00 0.00 0.00 0.00 23.12 24.85 1n80 s ALA 117 CO 0.03 -0.93 1.88 -1.35 0.00 0.00 0.00 175.76 175.39 1n80 h PRO 118 N 2.00 0.27 0.00 0.00 0.11 -1.97 0.88 132.00 133.29 1n80 h PRO 118 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1n80 h PRO 118 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1n80 h PRO 118 CO 0.27 0.18 0.00 2.48 -0.21 0.00 0.00 178.00 180.72 1n80 n TYR 119 N -4.44 0.47 0.11 0.65 4.11 -1.26 -3.42 117.16 113.39 1n80 n TYR 119 Ca 0.18 0.15 0.04 0.00 -0.00 0.00 0.00 57.90 58.27 1n80 n TYR 119 Cb 0.74 -0.75 -0.05 0.00 -0.00 0.00 0.00 39.34 39.28 1n80 n TYR 119 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1n80 n ASN 120 N -1.90 2.28 -4.72 9.48 3.02 0.19 -4.68 115.26 118.92 1n80 n ASN 120 Ca 0.05 -0.23 -0.67 0.00 -0.03 0.00 0.00 54.58 53.71 1n80 n ASN 120 Cb 0.32 1.23 -0.10 0.00 -0.61 0.00 0.00 39.78 40.62 1n80 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n80 n ALA 121 N -1.56 -1.50 0.00 5.41 0.00 0.25 -1.48 120.51 121.63 1n80 n ALA 121 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1n80 n ALA 121 Cb 0.17 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1n80 n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n80 n THR 122 N 3.80 0.00 -3.23 0.00 -2.24 -1.26 -4.87 114.28 106.48 1n80 n THR 122 Ca 0.30 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.05 1n80 n THR 122 Cb -0.04 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 1n80 n THR 122 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1n80 s GLU 123 N -0.94 0.71 0.24 -0.78 2.12 -1.26 -5.00 118.70 113.79 1n80 s GLU 123 Ca 0.00 -0.19 -0.31 0.00 0.36 0.00 0.00 54.97 54.83 1n80 s GLU 123 Cb 0.00 -0.04 -0.12 0.00 0.26 0.00 0.00 34.13 34.23 1n80 s GLU 123 CO 0.00 -1.15 1.64 -1.13 -0.54 0.00 0.00 175.26 174.07 1n80 n SER 124 N 4.64 3.77 0.00 -1.70 3.41 -1.26 -1.93 113.62 120.54 1n80 n SER 124 Ca 0.09 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 1n80 n SER 124 Cb 0.54 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1n80 n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n80 n GLY 125 N 3.05 0.99 3.00 5.00 0.00 -1.26 -5.09 105.19 110.88 1n80 n GLY 125 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1n80 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n80 s ALA 126 N -2.00 0.31 1.00 4.61 0.00 -0.81 -5.16 121.76 119.70 1n80 s ALA 126 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1n80 s ALA 126 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1n80 s ALA 126 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1n80 n GLY 127 N 1.85 -2.03 3.73 0.00 0.00 -1.26 -4.94 105.19 102.54 1n80 n GLY 127 Ca -0.21 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 1n80 n GLY 127 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n80 s TRP 128 N -0.98 2.12 -0.08 1.61 0.52 -1.16 -4.76 118.94 116.21 1n80 s TRP 128 Ca 0.00 1.48 0.03 0.00 0.02 0.00 0.00 56.10 57.63 1n80 s TRP 128 Cb 0.00 -3.68 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 1n80 s TRP 128 CO 0.00 -2.84 -0.19 -0.51 0.02 0.00 0.00 176.95 173.42 1n80 s LEU 129 N -4.29 1.91 -0.09 2.99 1.43 0.93 -1.67 118.68 119.89 1n80 s LEU 129 Ca 0.82 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1n80 s LEU 129 Cb -0.37 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1n80 s LEU 129 CO 0.39 0.11 -0.10 -0.69 0.23 0.00 0.00 176.35 176.30 1n80 s VAL 130 N 0.43 3.40 0.22 -1.59 1.01 -0.36 0.16 120.40 123.67 1n80 s VAL 130 Ca -0.16 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1n80 s VAL 130 Cb -0.17 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1n80 s VAL 130 CO 0.07 0.56 0.04 -0.31 0.00 0.00 0.00 175.10 175.46 1n80 s TYR 131 N -0.34 1.40 -0.09 5.22 2.02 0.36 -1.04 117.35 124.87 1n80 s TYR 131 Ca 0.04 -1.06 0.01 0.00 -0.37 0.00 0.00 57.07 55.69 1n80 s TYR 131 Cb -0.13 -0.81 0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1n80 s TYR 131 CO 0.02 -0.23 -0.11 0.50 -1.57 0.00 0.00 175.55 174.16 1n80 s ARG 132 N -3.95 1.74 -0.79 -0.62 3.00 0.01 0.19 118.95 118.53 1n80 s ARG 132 Ca 0.30 -0.39 -0.24 0.00 -1.00 0.00 0.00 55.73 54.39 1n80 s ARG 132 Cb 0.07 -1.55 -0.15 0.00 0.00 0.00 0.00 34.95 33.31 1n80 s ARG 132 CO 0.08 -0.08 2.40 0.00 0.00 0.00 0.00 175.30 177.70 1n80 h LEU 134 N 21.38 0.55 0.00 0.00 3.38 -1.84 -1.21 115.31 137.57 1n80 h LEU 134 Ca -0.01 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1n80 h LEU 134 Cb 1.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1n80 h LEU 134 CO 1.07 0.86 0.00 -0.67 0.09 0.00 0.00 178.44 179.79 1n80 n ASP 135 N -4.46 0.00 0.00 -0.43 4.64 -1.25 -4.82 116.55 110.23 1n80 n ASP 135 Ca -0.04 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 1n80 n ASP 135 Cb 0.37 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.45 1n80 n ASP 135 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1n80 n VAL 136 N 0.00 0.00 -1.91 5.18 0.24 -1.26 -4.53 118.33 116.05 1n80 n VAL 136 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 1n80 n VAL 136 Cb 0.00 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.41 1n80 n VAL 136 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1n80 s PRO 137 N -2.00 2.92 0.00 7.34 0.04 0.16 -4.72 135.00 138.74 1n80 s PRO 137 Ca 0.00 1.97 0.18 0.00 0.04 0.00 0.00 61.00 63.19 1n80 s PRO 137 Cb 0.00 -1.99 0.69 0.00 0.04 0.00 0.00 34.50 33.24 1n80 s PRO 137 CO 0.00 -1.28 1.50 -0.25 0.04 0.00 0.00 177.00 177.01 1n80 n ASP 138 N -1.52 1.48 -4.13 6.66 8.00 -1.26 -4.78 116.55 120.99 1n80 n ASP 138 Ca 0.13 -1.74 -0.27 0.00 0.71 0.00 0.00 54.79 53.63 1n80 n ASP 138 Cb 0.48 -0.11 -0.16 0.00 -0.02 0.00 0.00 41.12 41.31 1n80 n ASP 138 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1n80 s THR 139 N -1.77 1.51 -5.00 -3.53 -4.23 -1.26 -4.79 115.64 96.57 1n80 s THR 139 Ca 0.29 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1n80 s THR 139 Cb 0.16 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1n80 s THR 139 CO 0.23 0.43 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 1n80 n GLY 140 N 3.32 -0.72 3.73 3.99 0.00 -1.26 -2.01 105.19 112.24 1n80 n GLY 140 Ca -0.19 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 1n80 n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1n80 s MET 141 N -1.92 2.36 0.20 1.61 0.23 -1.23 -4.87 119.30 115.68 1n80 s MET 141 Ca 0.00 -1.56 0.00 0.00 -1.03 0.00 0.00 55.69 53.10 1n80 s MET 141 Cb 0.00 -2.17 -0.04 0.00 -1.53 0.00 0.00 34.83 31.09 1n80 s MET 141 CO 0.00 0.10 0.37 0.00 -2.03 0.00 0.00 175.02 173.46 1n80 h SER 143 N 1.94 -0.74 0.00 0.00 4.64 -0.55 -2.67 113.55 116.17 1n80 h SER 143 Ca -0.48 0.25 -0.61 0.00 -0.47 0.00 0.00 61.79 60.47 1n80 h SER 143 Cb 1.19 0.51 0.02 0.00 -0.31 0.00 0.00 62.40 63.81 1n80 h SER 143 CO 0.67 -0.27 2.61 -0.38 -0.87 0.00 0.00 176.83 178.60 1n80 n ILE 144 N -5.53 2.40 -0.78 0.95 -0.00 -1.26 -4.86 119.36 110.29 1n80 n ILE 144 Ca 0.13 -1.90 -0.07 0.00 -0.00 0.00 0.00 62.75 60.90 1n80 n ILE 144 Cb 0.43 -2.36 -0.08 0.00 -0.00 0.00 0.00 39.64 37.64 1n80 n ILE 144 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1n80 n ALA 145 N 6.36 0.52 0.00 -1.39 0.00 -1.01 -3.28 120.51 121.72 1n80 n ALA 145 Ca 0.51 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1n80 n ALA 145 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1n80 n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n80 n SER 146 N 3.09 0.00 -0.87 0.00 2.88 -1.26 -5.10 113.62 112.37 1n80 n SER 146 Ca 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1n80 n SER 146 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1n80 n SER 146 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n80 n LEU 147 N 0.00 0.00 0.00 2.46 4.32 -1.20 -5.10 117.00 117.47 1n80 n LEU 147 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1n80 n LEU 147 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1n80 n LEU 147 CO 0.00 -0.07 0.00 0.35 -1.22 0.00 0.00 177.39 176.45 1n80 n THR 148 N -0.14 0.00 -2.91 -5.08 -2.24 -1.26 -4.75 114.28 97.90 1n80 n THR 148 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 1n80 n THR 148 Cb 0.00 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 1n80 n THR 148 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n80 s ASP 149 N -2.98 7.28 0.00 3.42 3.68 -1.26 -4.83 116.67 121.98 1n80 s ASP 149 Ca 0.00 1.53 -0.08 0.00 2.13 0.00 0.00 52.55 56.14 1n80 s ASP 149 Cb 0.00 -2.50 -0.04 0.00 -1.45 0.00 0.00 42.92 38.93 1n80 s ASP 149 CO 0.00 -0.02 0.76 0.50 0.13 0.00 0.00 175.17 176.54 1n80 h LYS 150 N 5.75 -0.27 -1.21 4.34 3.64 -1.93 -2.25 116.57 124.64 1n80 h LYS 150 Ca -0.43 0.02 0.35 0.00 -1.27 0.00 0.00 60.65 59.31 1n80 h LYS 150 Cb 1.21 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 1n80 h LYS 150 CO 0.71 -0.18 1.01 -0.44 -2.27 0.00 0.00 179.45 178.29 1n80 h ASP 151 N -0.39 0.00 -0.05 4.20 3.32 -1.97 1.24 116.42 122.77 1n80 h ASP 151 Ca -0.03 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 1n80 h ASP 151 Cb 0.21 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1n80 h ASP 151 CO 0.05 0.00 -0.59 -0.08 -1.72 0.00 0.00 179.24 176.90 1n80 h GLU 152 N 0.00 0.49 -0.03 3.56 4.81 -1.97 -3.05 114.58 118.40 1n80 h GLU 152 Ca 0.57 -0.46 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1n80 h GLU 152 Cb 2.59 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 32.08 1n80 h GLU 152 CO -0.01 1.10 0.02 0.00 -0.73 0.00 0.00 179.01 179.39 1n80 h LEU 154 N 0.00 0.90 -0.49 0.00 4.07 -1.22 0.06 115.31 118.63 1n80 h LEU 154 Ca 0.01 -0.59 -0.09 0.00 0.08 0.00 0.00 57.88 57.30 1n80 h LEU 154 Cb 0.06 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1n80 h LEU 154 CO -0.00 1.33 -0.42 0.11 -1.08 0.00 0.00 178.44 178.38 1n80 h LYS 155 N 0.52 0.00 0.00 1.13 1.57 -1.21 -2.74 116.57 115.83 1n80 h LYS 155 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1n80 h LYS 155 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1n80 h LYS 155 CO 0.13 0.42 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.16 1n80 h LEU 156 N 0.00 0.00 -1.86 2.94 3.38 -0.79 -3.49 115.31 115.49 1n80 h LEU 156 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1n80 h LEU 156 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1n80 h LEU 156 CO 0.05 0.02 -0.52 0.61 0.09 0.00 0.00 178.44 178.69 1n80 n GLY 157 N 1.23 -4.44 3.24 0.83 0.00 -0.00 -5.05 105.19 101.00 1n80 n GLY 157 Ca 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1n80 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n80 n GLY 158 N 0.97 0.29 3.36 -0.02 0.00 -1.17 -4.96 105.19 103.66 1n80 n GLY 158 Ca 0.00 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1n80 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n80 s LYS 159 N -2.01 2.81 -0.28 1.61 -0.14 -1.26 -4.79 119.74 115.68 1n80 s LYS 159 Ca 0.25 -1.23 -0.06 0.00 -1.36 0.00 0.00 55.97 53.56 1n80 s LYS 159 Cb -0.01 -3.85 0.00 0.00 -1.68 0.00 0.00 37.83 32.29 1n80 s LYS 159 CO -0.01 -0.84 0.06 -0.46 -0.76 0.00 0.00 175.35 173.34 1n80 s TRP 160 N 1.55 3.12 0.35 3.18 -0.11 -1.26 0.21 118.94 125.98 1n80 s TRP 160 Ca 0.03 -0.93 -0.00 0.00 1.22 0.00 0.00 56.10 56.42 1n80 s TRP 160 Cb -0.21 -2.23 -0.03 0.00 -1.50 0.00 0.00 33.47 29.50 1n80 s TRP 160 CO 0.06 -0.55 0.56 0.95 -4.62 0.00 0.00 176.95 173.35 1n80 s THR 161 N 1.50 5.09 0.53 5.86 -4.23 -1.13 -4.50 115.64 118.77 1n80 s THR 161 Ca 0.03 -0.40 -0.17 0.00 -1.18 0.00 0.00 61.69 59.98 1n80 s THR 161 Cb -0.17 -3.85 -0.07 0.00 1.34 0.00 0.00 72.50 69.75 1n80 s THR 161 CO 0.02 -0.56 1.01 -2.84 -0.54 0.00 0.00 174.62 171.71 1n80 s PRO 162 N -4.28 3.75 -0.03 3.99 0.02 -1.26 -3.49 135.00 133.71 1n80 s PRO 162 Ca 0.41 1.10 -0.20 0.00 0.02 0.00 0.00 61.00 62.33 1n80 s PRO 162 Cb -0.10 -2.10 -0.12 0.00 0.02 0.00 0.00 34.50 32.20 1n80 s PRO 162 CO 0.36 -0.44 0.86 0.77 -0.33 0.00 0.00 177.00 178.22 1n80 h SER 163 N 0.93 -0.42 -2.69 2.53 0.02 -1.78 -3.47 113.55 108.67 1n80 h SER 163 Ca -0.47 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1n80 h SER 163 Cb 1.20 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1n80 h SER 163 CO 0.60 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 176.31 1n80 n ALA 164 N -2.65 0.00 -2.73 3.77 0.00 -1.26 -5.05 120.51 112.59 1n80 n ALA 164 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 1n80 n ALA 164 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 1n80 n ALA 164 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1n80 s ARG 165 N 0.50 2.62 -0.10 0.00 1.70 -1.26 -4.83 118.95 117.57 1n80 s ARG 165 Ca 0.00 -1.13 -0.30 0.00 -0.47 0.00 0.00 55.73 53.84 1n80 s ARG 165 Cb 0.00 -2.42 -0.01 0.00 -0.57 0.00 0.00 34.95 31.95 1n80 s ARG 165 CO 0.00 0.42 1.01 0.45 -1.08 0.00 0.00 175.30 176.10 1n80 s SER 166 N -3.42 7.25 -0.10 -2.89 0.15 0.44 -4.95 113.70 110.18 1n80 s SER 166 Ca 0.31 1.53 0.04 0.00 0.70 0.00 0.00 55.95 58.53 1n80 s SER 166 Cb -0.08 -2.56 -0.24 0.00 -1.71 0.00 0.00 66.02 61.43 1n80 s SER 166 CO 0.22 -0.44 0.43 0.80 1.20 0.00 0.00 173.24 175.45 1n80 n MET 167 N 4.98 0.69 -4.69 5.44 1.56 -1.26 -4.80 117.12 119.04 1n80 n MET 167 Ca 0.09 0.25 -0.25 0.00 -0.27 0.00 0.00 57.70 57.51 1n80 n MET 167 Cb 0.49 -1.72 -0.16 0.00 2.15 0.00 0.00 33.22 33.97 1n80 n MET 167 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1n80 s THR 168 N -2.57 1.27 0.35 1.12 -1.32 -1.26 -5.13 115.64 108.10 1n80 s THR 168 Ca -0.15 -0.58 -0.27 0.00 -1.21 0.00 0.00 61.69 59.49 1n80 s THR 168 Cb 0.07 -1.13 -0.09 0.00 -1.51 0.00 0.00 72.50 69.84 1n80 s THR 168 CO 0.79 0.38 1.13 -2.16 -2.21 0.00 0.00 174.62 172.55 1n80 s PRO 169 N 0.45 4.33 0.54 7.08 0.04 -1.26 -4.99 135.00 141.18 1n80 s PRO 169 Ca -0.12 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.51 1n80 s PRO 169 Cb -0.14 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 1n80 s PRO 169 CO 0.04 -0.07 1.20 -1.25 0.04 0.00 0.00 177.00 176.95 1n80 s PRO 170 N -1.97 3.31 0.07 0.56 0.04 -1.26 -5.04 135.00 130.71 1n80 s PRO 170 Ca 0.52 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.31 1n80 s PRO 170 Cb -0.30 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1n80 s PRO 170 CO 0.38 -0.93 0.11 -1.83 0.04 0.00 0.00 177.00 174.77 1n80 s GLU 171 N -3.08 0.72 0.81 4.56 -1.05 -1.26 -4.96 118.70 114.43 1n80 s GLU 171 Ca 0.72 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 1n80 s GLU 171 Cb -0.30 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 1n80 s GLU 171 CO 0.34 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.76 1n80 n GLY 172 N 0.18 -2.03 0.99 -3.83 0.00 -1.26 -4.42 105.19 94.81 1n80 n GLY 172 Ca -0.16 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1n80 n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n80 n ARG 173 N -0.00 3.15 -0.07 1.61 1.74 -1.26 -4.89 116.66 116.94 1n80 n ARG 173 Ca 0.00 -2.58 0.01 0.00 -0.77 0.00 0.00 57.85 54.51 1n80 n ARG 173 Cb 0.00 -1.66 -0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1n80 n ARG 173 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n80 n GLY 174 N 0.25 -0.89 1.73 -0.13 0.00 -1.26 -4.08 105.19 100.81 1n80 n GLY 174 Ca 0.19 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1n80 n GLY 174 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n80 n ASP 175 N -3.15 -1.16 -0.25 1.61 5.68 -0.49 -4.64 116.55 114.17 1n80 n ASP 175 Ca 0.00 -0.92 0.32 0.00 -0.50 0.00 0.00 54.79 53.70 1n80 n ASP 175 Cb 0.03 -0.49 0.72 0.00 -1.14 0.00 0.00 41.12 40.24 1n80 n ASP 175 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n80 h ALA 176 N -2.25 2.95 -0.56 2.12 0.00 -1.91 0.40 119.26 120.00 1n80 h ALA 176 Ca -0.20 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1n80 h ALA 176 Cb 0.60 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1n80 h ALA 176 CO 0.13 -1.40 0.15 -0.85 0.00 0.00 0.00 179.25 177.29 1n80 n GLU 177 N -3.95 3.27 -0.89 0.00 0.28 -1.26 -4.87 120.64 113.22 1n80 n GLU 177 Ca 0.23 -3.05 0.00 0.00 -0.16 0.00 0.00 57.16 54.17 1n80 n GLU 177 Cb 1.20 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 32.00 1n80 n GLU 177 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n80 n GLY 178 N -0.38 0.13 3.76 -1.84 0.00 0.14 -4.81 105.19 102.19 1n80 n GLY 178 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 1n80 n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n80 s THR 179 N -1.32 3.72 -0.05 2.61 2.01 -1.26 -0.35 115.64 121.01 1n80 s THR 179 Ca 0.00 1.67 -0.00 0.00 0.31 0.00 0.00 61.69 63.66 1n80 s THR 179 Cb 0.00 -4.03 0.03 0.00 0.01 0.00 0.00 72.50 68.50 1n80 s THR 179 CO 0.00 0.35 0.00 -0.63 -0.69 0.00 0.00 174.62 173.65 1n80 s ILE 180 N -1.25 0.27 -0.75 1.82 1.01 -0.49 -1.39 121.20 120.42 1n80 s ILE 180 Ca 0.45 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.24 1n80 s ILE 180 Cb -0.28 -0.40 0.27 0.00 0.01 0.00 0.00 42.46 42.06 1n80 s ILE 180 CO 0.36 0.20 0.95 -0.62 0.00 0.00 0.00 174.94 175.84 1n80 n GLU 181 N 4.61 3.09 0.07 2.79 1.02 -1.26 -2.16 120.64 128.81 1n80 n GLU 181 Ca -0.17 -4.66 0.02 0.00 -0.02 0.00 0.00 57.16 52.33 1n80 n GLU 181 Cb 0.50 -2.32 0.09 0.00 -0.02 0.00 0.00 31.44 29.69 1n80 n GLU 181 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1n80 n PRO 182 N 0.89 0.03 -3.51 3.49 -0.02 -1.26 -4.73 135.00 129.88 1n80 n PRO 182 Ca 0.29 0.33 -0.22 0.00 -2.02 0.00 0.00 63.50 61.89 1n80 n PRO 182 Cb 0.39 -1.99 0.08 0.00 -0.02 0.00 0.00 33.50 31.96 1n80 n PRO 182 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n80 n GLY 183 N -1.21 -0.45 0.14 -1.23 0.00 -1.26 -4.90 105.19 96.28 1n80 n GLY 183 Ca -0.00 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1n80 n GLY 183 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n80 n ASP 184 N -2.84 2.08 0.00 1.61 5.75 -1.26 -4.92 116.55 116.96 1n80 n ASP 184 Ca -0.04 -3.00 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 1n80 n ASP 184 Cb 0.58 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1n80 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n80 n GLY 185 N -1.27 0.57 3.45 6.12 0.00 -1.26 -4.78 105.19 108.02 1n80 n GLY 185 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1n80 n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n80 s TYR 186 N -2.23 2.02 0.03 1.61 1.51 -1.26 -0.67 117.35 118.36 1n80 s TYR 186 Ca 0.00 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.31 1n80 s TYR 186 Cb 0.00 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1n80 s TYR 186 CO 0.00 0.25 -0.01 0.08 -1.11 0.00 0.00 175.55 174.77 1n80 s VAL 187 N -3.02 0.14 0.12 0.71 1.01 -1.26 -4.37 120.40 113.73 1n80 s VAL 187 Ca 0.31 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1n80 s VAL 187 Cb 0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1n80 s VAL 187 CO 0.13 -0.66 0.13 0.26 0.00 0.00 0.00 175.10 174.97 1n80 s TRP 188 N -2.34 0.53 -0.11 5.22 0.52 -0.92 -3.43 118.94 118.41 1n80 s TRP 188 Ca -0.08 -0.95 -0.00 0.00 0.02 0.00 0.00 56.10 55.10 1n80 s TRP 188 Cb -0.03 -0.26 0.02 0.00 -1.15 0.00 0.00 33.47 32.05 1n80 s TRP 188 CO -0.04 -0.56 -0.08 -2.00 0.02 0.00 0.00 176.95 174.29 1n80 s GLU 189 N -3.97 1.58 0.27 4.98 2.12 -0.25 -1.40 118.70 122.03 1n80 s GLU 189 Ca 0.16 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 1n80 s GLU 189 Cb 0.06 -1.60 -0.10 0.00 0.26 0.00 0.00 34.13 32.75 1n80 s GLU 189 CO -0.03 -0.25 1.39 -0.47 -0.54 0.00 0.00 175.26 175.37 1n80 s TYR 190 N 1.62 3.04 0.00 5.30 5.04 0.52 -0.81 117.35 132.07 1n80 s TYR 190 Ca 0.04 1.15 -0.01 0.00 -2.44 0.00 0.00 57.07 55.81 1n80 s TYR 190 Cb -0.13 -3.77 -0.00 0.00 0.35 0.00 0.00 41.96 38.41 1n80 s TYR 190 CO -0.08 -2.39 -0.01 1.28 -1.34 0.00 0.00 175.55 173.01 1n80 n LEU 191 N 1.92 0.15 0.00 6.97 4.77 -0.21 -4.82 117.00 125.78 1n80 n LEU 191 Ca 0.05 0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 1n80 n LEU 191 Cb 0.41 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1n80 n LEU 191 CO 0.60 -0.52 0.09 2.22 -1.33 0.00 0.00 177.39 178.46 1n80 n PHE 192 N -2.64 -1.08 -4.26 -1.77 1.16 -1.16 -4.95 117.46 102.76 1n80 n PHE 192 Ca -0.00 -0.27 -0.17 0.00 -1.87 0.00 0.00 57.45 55.14 1n80 n PHE 192 Cb 0.01 0.13 -0.15 0.00 -1.61 0.00 0.00 39.48 37.87 1n80 n PHE 192 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1n80 s GLU 193 N -2.01 0.59 -0.27 3.97 2.12 -1.03 -1.22 118.70 120.84 1n80 s GLU 193 Ca 0.03 -0.25 -0.11 0.00 0.36 0.00 0.00 54.97 55.01 1n80 s GLU 193 Cb -0.01 -0.57 -0.05 0.00 0.26 0.00 0.00 34.13 33.76 1n80 s GLU 193 CO 0.02 0.14 0.17 0.42 -0.54 0.00 0.00 175.26 175.47 1n80 s ILE 194 N -0.11 5.18 0.78 -3.70 1.01 -0.67 -4.34 121.20 119.35 1n80 s ILE 194 Ca 0.02 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 1n80 s ILE 194 Cb -0.03 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 39.04 1n80 s ILE 194 CO -0.00 0.26 1.14 -2.16 0.00 0.00 0.00 174.94 174.18 1n80 s PRO 195 N 1.72 2.02 0.16 2.79 0.04 -1.26 -3.00 135.00 137.47 1n80 s PRO 195 Ca 0.07 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 1n80 s PRO 195 Cb -0.16 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.59 1n80 s PRO 195 CO 0.10 -1.87 1.63 -1.35 0.04 0.00 0.00 177.00 175.55 1n80 h PRO 196 N -0.91 -0.18 -0.42 0.56 0.11 -1.97 0.24 132.00 129.43 1n80 h PRO 196 Ca -0.45 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.79 1n80 h PRO 196 Cb 1.26 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1n80 h PRO 196 CO 0.49 -0.12 0.30 0.38 -0.21 0.00 0.00 178.00 178.84 1n80 h ASP 197 N -0.19 0.01 0.05 -2.05 3.04 -1.99 0.41 116.42 115.70 1n80 h ASP 197 Ca 0.16 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.82 1n80 h ASP 197 Cb 0.45 -0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.73 1n80 h ASP 197 CO -0.43 0.01 -0.68 0.58 -2.04 0.00 0.00 179.24 176.67 1n80 h VAL 198 N 0.01 1.42 -0.80 4.15 2.07 -1.66 -2.84 116.25 118.60 1n80 h VAL 198 Ca 0.20 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 1n80 h VAL 198 Cb 0.78 3.00 -0.04 0.00 -1.52 0.00 0.00 31.29 33.52 1n80 h VAL 198 CO -0.00 0.59 0.46 0.77 0.02 0.00 0.00 177.57 179.41 1n80 h SER 199 N -0.73 0.99 -0.12 0.57 4.64 -0.49 0.17 113.55 118.58 1n80 h SER 199 Ca -0.15 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 1n80 h SER 199 Cb 1.34 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1n80 h SER 199 CO 0.00 0.79 -0.11 0.40 -0.87 0.00 0.00 176.83 177.05 1n80 h ILE 200 N 1.11 1.35 0.00 0.95 2.04 -1.09 -3.26 117.51 118.62 1n80 h ILE 200 Ca 0.28 -1.25 -0.35 0.00 1.00 0.00 0.00 64.86 64.54 1n80 h ILE 200 Cb 0.01 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 1n80 h ILE 200 CO -0.05 0.36 -2.24 0.59 0.00 0.00 0.00 178.15 176.81 1n80 n ASN 201 N -4.62 0.38 -0.01 1.72 3.02 -1.07 -4.64 115.26 110.03 1n80 n ASN 201 Ca -0.06 0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.67 1n80 n ASN 201 Cb 0.33 0.62 -0.16 0.00 -0.61 0.00 0.00 39.78 39.97 1n80 n ASN 201 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1n80 n ARG 202 N -2.87 0.61 -3.70 3.52 5.12 0.00 -4.98 116.66 114.37 1n80 n ARG 202 Ca -0.30 -0.18 -0.35 0.00 -1.93 0.00 0.00 57.85 55.09 1n80 n ARG 202 Cb 1.12 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.89 1n80 n ARG 202 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n80 n THR 204 N 1.04 0.00 0.31 0.00 -2.24 -0.18 -4.81 114.28 108.40 1n80 n THR 204 Ca -0.10 -1.23 0.17 0.00 -2.27 0.00 0.00 64.05 60.61 1n80 n THR 204 Cb 0.53 0.30 0.73 0.00 -2.10 0.00 0.00 70.33 69.79 1n80 n THR 204 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n80 h ASN 205 N 0.69 0.00 0.00 3.42 -0.00 -1.99 -3.09 115.58 114.61 1n80 h ASN 205 Ca -0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.06 1n80 h ASN 205 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.96 1n80 h ASN 205 CO 0.33 0.00 -1.60 -0.62 -0.00 0.00 0.00 177.43 175.55 1n80 n GLU 206 N -2.81 0.67 -4.14 4.14 1.02 -1.26 -4.73 120.64 113.53 1n80 n GLU 206 Ca 0.00 -0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 56.90 1n80 n GLU 206 Cb 0.22 -1.29 -0.13 0.00 -0.02 0.00 0.00 31.44 30.22 1n80 n GLU 206 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1n80 s TYR 207 N -2.75 0.59 0.07 -0.32 1.51 -1.17 0.07 117.35 115.34 1n80 s TYR 207 Ca -0.05 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1n80 s TYR 207 Cb 0.07 -0.36 -0.03 0.00 -0.11 0.00 0.00 41.96 41.52 1n80 s TYR 207 CO 0.50 -0.04 -0.20 0.96 -1.11 0.00 0.00 175.55 175.67 1n80 s ILE 208 N -0.63 2.67 0.31 2.71 -4.36 -0.79 -1.01 121.20 120.10 1n80 s ILE 208 Ca -0.02 -1.35 -0.27 0.00 -0.26 0.00 0.00 60.65 58.75 1n80 s ILE 208 Cb -0.05 -2.14 -0.10 0.00 1.25 0.00 0.00 42.46 41.42 1n80 s ILE 208 CO 0.00 0.26 0.96 -0.69 0.24 0.00 0.00 174.94 175.71 1n80 s VAL 209 N -0.98 4.11 -0.21 8.37 1.01 -1.26 -2.03 120.40 129.42 1n80 s VAL 209 Ca 0.15 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.96 1n80 s VAL 209 Cb -0.10 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.26 1n80 s VAL 209 CO 0.06 0.21 -0.16 -0.69 0.00 0.00 0.00 175.10 174.52 1n80 s VAL 210 N -1.52 2.26 0.48 2.92 1.01 -0.32 -4.94 120.40 120.30 1n80 s VAL 210 Ca 0.49 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1n80 s VAL 210 Cb -0.21 -2.05 -0.08 0.00 0.00 0.00 0.00 36.38 34.04 1n80 s VAL 210 CO 0.26 0.38 1.21 -0.81 0.00 0.00 0.00 175.10 176.15 1n80 n PRO 211 N 4.60 1.63 -1.77 2.72 -0.04 -1.26 -4.19 135.00 136.69 1n80 n PRO 211 Ca -0.19 0.59 -0.33 0.00 -0.04 0.00 0.00 63.50 63.53 1n80 n PRO 211 Cb 0.48 -2.35 0.04 0.00 -0.04 0.00 0.00 33.50 31.64 1n80 n PRO 211 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1n80 s TRP 212 N -1.28 2.72 0.23 0.54 0.52 -1.26 -4.58 118.94 115.83 1n80 s TRP 212 Ca 0.66 1.54 -0.07 0.00 0.02 0.00 0.00 56.10 58.25 1n80 s TRP 212 Cb -0.48 -3.11 0.30 0.00 -1.15 0.00 0.00 33.47 29.04 1n80 s TRP 212 CO 0.54 -1.54 1.82 -1.35 0.02 0.00 0.00 176.95 176.43 1n80 h PRO 213 N -0.01 0.76 -0.12 4.98 0.11 -1.93 -1.54 132.00 134.25 1n80 h PRO 213 Ca -0.46 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1n80 h PRO 213 Cb 1.24 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1n80 h PRO 213 CO 0.55 0.50 0.02 1.49 -0.21 0.00 0.00 178.00 180.35 1n80 h GLU 214 N 0.78 0.19 0.00 1.05 4.57 -1.92 -1.10 114.58 118.14 1n80 h GLU 214 Ca 0.34 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1n80 h GLU 214 Cb 0.23 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1n80 h GLU 214 CO -0.20 0.37 -0.09 1.05 -1.18 0.00 0.00 179.01 178.96 1n80 h GLU 215 N -0.02 0.00 0.09 1.92 4.11 -1.92 -1.52 114.58 117.24 1n80 h GLU 215 Ca 0.04 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.19 1n80 h GLU 215 Cb 0.27 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.54 1n80 h GLU 215 CO 0.00 0.09 -1.17 1.25 0.07 0.00 0.00 179.01 179.25 1n80 h LEU 216 N 0.00 0.74 -1.00 3.06 5.85 -0.92 -2.44 115.31 120.59 1n80 h LEU 216 Ca -0.00 -0.67 -0.10 0.00 0.84 0.00 0.00 57.88 57.94 1n80 h LEU 216 Cb 0.50 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1n80 h LEU 216 CO 0.01 1.49 -0.46 0.50 -0.34 0.00 0.00 178.44 179.64 1n80 h LYS 217 N 0.25 0.07 0.00 1.25 3.64 -0.79 -2.77 116.57 118.23 1n80 h LYS 217 Ca -0.15 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 1n80 h LYS 217 Cb 1.84 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.64 1n80 h LYS 217 CO 0.22 0.52 -0.65 1.49 -2.27 0.00 0.00 179.45 178.76 1n80 h GLU 218 N 0.06 0.00 -1.20 1.90 4.57 -1.24 -3.40 114.58 115.27 1n80 h GLU 218 Ca 0.00 0.00 -0.42 0.00 -1.18 0.00 0.00 59.36 57.76 1n80 h GLU 218 Cb 0.85 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 29.15 1n80 h GLU 218 CO 0.06 0.39 -0.87 -3.47 -1.18 0.00 0.00 179.01 173.95 1n80 n ASP 219 N -3.12 -0.99 -0.11 1.04 -0.08 -0.93 -5.00 116.55 107.37 1n80 n ASP 219 Ca -0.00 -2.98 -0.06 0.00 -1.51 0.00 0.00 54.79 50.24 1n80 n ASP 219 Cb 0.73 0.36 0.02 0.00 2.34 0.00 0.00 41.12 44.57 1n80 n ASP 219 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1n80 h PRO 220 N 3.88 0.24 -0.62 -0.67 0.11 -1.72 -2.59 132.00 130.64 1n80 h PRO 220 Ca -0.01 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.15 1n80 h PRO 220 Cb 0.95 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 1n80 h PRO 220 CO 0.40 0.16 0.41 1.79 -0.21 0.00 0.00 178.00 180.55 1n80 h THR 221 N 0.25 0.99 -0.61 -1.15 1.35 -1.89 0.56 112.91 112.40 1n80 h THR 221 Ca 0.18 -0.20 0.04 0.00 -0.55 0.00 0.00 66.41 65.88 1n80 h THR 221 Cb 0.18 0.35 -0.04 0.00 -1.73 0.00 0.00 68.15 66.92 1n80 h THR 221 CO -0.20 0.11 0.41 -0.09 -0.25 0.00 0.00 175.52 175.49 1n80 h ARG 222 N 0.58 0.67 -0.59 4.72 2.43 -1.87 -0.14 114.38 120.18 1n80 h ARG 222 Ca 0.27 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.15 1n80 h ARG 222 Cb 0.31 -0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 29.56 1n80 h ARG 222 CO -0.08 0.44 0.20 0.91 -1.51 0.00 0.00 179.97 179.93 1n80 n TRP 223 N -4.47 1.88 -4.09 2.20 7.02 -0.46 -4.28 117.44 115.23 1n80 n TRP 223 Ca 0.08 -1.48 -0.29 0.00 -1.02 0.00 0.00 57.50 54.79 1n80 n TRP 223 Cb 0.17 -0.63 -0.05 0.00 -2.42 0.00 0.00 31.31 28.38 1n80 n TRP 223 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1n80 n GLY 224 N -0.84 -0.24 0.11 6.99 0.00 -0.07 -2.46 105.19 108.68 1n80 n GLY 224 Ca 0.40 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.68 1n80 n GLY 224 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1n80 n TYR 225 N -4.50 0.00 0.18 1.61 4.19 0.18 -4.52 117.16 114.31 1n80 n TYR 225 Ca -0.30 -0.85 0.05 0.00 3.31 0.00 0.00 57.90 60.11 1n80 n TYR 225 Cb 0.68 -0.13 0.33 0.00 0.49 0.00 0.00 39.34 40.71 1n80 n TYR 225 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 1n80 h GLU 226 N 0.00 0.00 -0.18 2.98 9.09 -1.90 -3.09 114.58 121.48 1n80 h GLU 226 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1n80 h GLU 226 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 1n80 h GLU 226 CO 0.00 0.39 0.00 -0.25 0.05 0.00 0.00 179.01 179.20 1n80 n ASP 227 N -3.60 1.61 -4.78 3.06 10.43 -1.26 -4.94 116.55 117.07 1n80 n ASP 227 Ca -0.00 -1.74 -0.37 0.00 2.57 0.00 0.00 54.79 55.25 1n80 n ASP 227 Cb 0.51 -0.12 -0.02 0.00 1.84 0.00 0.00 41.12 43.32 1n80 n ASP 227 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1n80 s ASN 228 N -1.48 6.43 0.00 -2.24 3.84 -1.17 -4.96 114.94 115.36 1n80 s ASN 228 Ca 0.31 2.17 0.00 0.00 0.21 0.00 0.00 52.86 55.55 1n80 s ASN 228 Cb 0.16 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1n80 s ASN 228 CO 0.24 -0.73 0.00 0.18 -2.79 0.00 0.00 177.10 174.01 1n80 n LEU 229 N -0.33 0.00 0.31 3.21 4.77 -1.26 -4.73 117.00 118.97 1n80 n LEU 229 Ca 0.06 -0.19 0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1n80 n LEU 229 Cb 0.49 0.00 1.03 0.00 -2.33 0.00 0.00 43.42 42.61 1n80 n LEU 229 CO 0.46 0.00 1.12 0.71 -1.33 0.00 0.00 177.39 178.35 1n80 h THR 230 N 0.00 0.17 -0.31 -5.08 1.35 -1.96 -1.77 112.91 105.32 1n80 h THR 230 Ca 0.00 -0.15 0.08 0.00 -0.55 0.00 0.00 66.41 65.79 1n80 h THR 230 Cb 0.00 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 1n80 h THR 230 CO 0.00 0.02 0.22 4.11 -0.25 0.00 0.00 175.52 179.61 1n80 h TRP 231 N 0.00 0.05 0.00 4.73 5.08 -1.91 -1.14 115.95 122.76 1n80 h TRP 231 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1n80 h TRP 231 Cb 0.12 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1n80 h TRP 231 CO 0.00 0.02 0.43 1.96 -1.28 0.00 0.00 178.44 179.57 1n80 h GLN 232 N 0.04 0.00 0.00 0.12 4.20 -1.68 -1.21 115.11 116.58 1n80 h GLN 232 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1n80 h GLN 232 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1n80 h GLN 232 CO -0.01 0.00 -0.27 0.00 -0.67 0.00 0.00 178.83 177.88 1n80 n GLN 233 N -2.13 1.61 -0.71 1.46 10.64 -0.53 -4.83 117.38 122.87 1n80 n GLN 233 Ca -0.01 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.24 1n80 n GLN 233 Cb 0.45 -0.64 0.36 0.00 -0.86 0.00 0.00 30.24 29.55 1n80 n GLN 233 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1n80 n ASP 234 N -0.83 5.01 -3.63 2.61 3.85 -0.59 -4.95 116.55 118.03 1n80 n ASP 234 Ca 0.00 -2.63 -0.24 0.00 -0.71 0.00 0.00 54.79 51.21 1n80 n ASP 234 Cb 0.11 -0.62 -0.06 0.00 -1.35 0.00 0.00 41.12 39.21 1n80 n ASP 234 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1n80 n ASP 235 N 0.88 -0.23 -0.35 -1.12 2.03 -0.48 0.41 116.55 117.69 1n80 n ASP 235 Ca 0.26 -0.84 -0.05 0.00 0.52 0.00 0.00 54.79 54.68 1n80 n ASP 235 Cb 0.99 -1.06 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 1n80 n ASP 235 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1n80 n PHE 236 N -3.15 0.00 -1.31 -0.67 3.72 -1.26 -4.94 117.46 109.86 1n80 n PHE 236 Ca -0.08 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.95 1n80 n PHE 236 Cb 0.39 -1.21 -0.02 0.00 -0.94 0.00 0.00 39.48 37.69 1n80 n PHE 236 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n80 n GLY 237 N -1.97 3.86 0.34 1.37 0.00 0.17 -4.42 105.19 104.54 1n80 n GLY 237 Ca -0.05 -1.37 0.05 0.00 0.00 0.00 0.00 46.02 44.65 1n80 n GLY 237 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n80 h LEU 238 N 9.10 0.64 -1.87 0.99 5.85 -1.87 -2.28 115.31 125.88 1n80 h LEU 238 Ca 0.65 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.43 1n80 h LEU 238 Cb 0.42 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1n80 h LEU 238 CO 1.78 0.44 0.23 0.16 -0.34 0.00 0.00 178.44 180.71 1n80 h ILE 239 N 0.75 0.92 0.01 4.05 3.07 -1.83 -1.87 117.51 122.61 1n80 h ILE 239 Ca 0.26 -0.05 -0.27 0.00 1.55 0.00 0.00 64.86 66.35 1n80 h ILE 239 Cb 0.10 0.74 0.02 0.00 -0.27 0.00 0.00 36.82 37.42 1n80 h ILE 239 CO -0.07 0.03 -1.06 1.88 -1.05 0.00 0.00 178.15 177.88 1n80 h TYR 240 N 0.16 1.02 -1.00 0.16 -1.99 -1.72 0.15 116.97 113.75 1n80 h TYR 240 Ca 0.15 -0.56 0.05 0.00 2.00 0.00 0.00 58.73 60.37 1n80 h TYR 240 Cb 0.39 -0.11 -0.06 0.00 2.00 0.00 0.00 36.73 38.95 1n80 h TYR 240 CO -0.00 1.40 0.65 0.00 -0.00 0.00 0.00 178.16 180.21 1n80 h ARG 241 N 0.38 1.19 -0.70 4.88 3.08 -1.25 -1.82 114.38 120.15 1n80 h ARG 241 Ca -0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1n80 h ARG 241 Cb 1.71 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1n80 h ARG 241 CO 0.21 0.79 0.00 1.33 -1.07 0.00 0.00 179.97 181.22 1n80 n VAL 242 N -4.46 1.57 -3.84 2.04 0.24 -0.98 -4.96 118.33 107.94 1n80 n VAL 242 Ca 0.14 -1.13 -0.27 0.00 -2.04 0.00 0.00 64.34 61.05 1n80 n VAL 242 Cb 0.13 0.25 0.03 0.00 -1.47 0.00 0.00 33.84 32.78 1n80 n VAL 242 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1n80 n LYS 243 N 1.35 -5.20 -2.42 7.34 5.02 -0.68 -4.93 118.16 118.64 1n80 n LYS 243 Ca 0.26 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.74 1n80 n LYS 243 Cb 0.81 -5.33 -0.04 0.00 -0.02 0.00 0.00 35.03 30.46 1n80 n LYS 243 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n80 s ALA 244 N -3.47 3.42 0.00 7.82 0.00 0.50 -4.89 121.76 125.15 1n80 s ALA 244 Ca 0.39 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1n80 s ALA 244 Cb -0.19 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1n80 s ALA 244 CO 0.83 -0.27 0.59 0.27 0.00 0.00 0.00 175.76 177.18 1n80 n ASN 245 N 1.70 0.00 -4.13 0.00 0.23 -1.26 -3.82 115.26 107.98 1n80 n ASN 245 Ca 0.01 -1.33 -0.26 0.00 -0.53 0.00 0.00 54.58 52.47 1n80 n ASN 245 Cb 0.45 -0.07 -0.16 0.00 -2.08 0.00 0.00 39.78 37.92 1n80 n ASN 245 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1n80 s THR 246 N 0.00 1.40 -0.11 5.53 2.01 -1.26 -0.64 115.64 122.58 1n80 s THR 246 Ca 0.00 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1n80 s THR 246 Cb 0.00 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1n80 s THR 246 CO 0.00 0.40 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.67 1n80 s ILE 247 N 0.08 3.99 -0.17 1.82 1.01 -0.22 -1.19 121.20 126.51 1n80 s ILE 247 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1n80 s ILE 247 Cb -0.12 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.67 1n80 s ILE 247 CO 0.02 0.56 -0.17 -0.60 0.00 0.00 0.00 174.94 174.76 1n80 s ARG 248 N -0.38 3.12 0.21 2.79 3.52 0.17 -1.37 118.95 127.01 1n80 s ARG 248 Ca 0.06 -0.78 -0.28 0.00 -0.13 0.00 0.00 55.73 54.61 1n80 s ARG 248 Cb -0.12 -2.63 -0.09 0.00 -1.56 0.00 0.00 34.95 30.55 1n80 s ARG 248 CO 0.02 -0.11 0.87 -0.06 -0.81 0.00 0.00 175.30 175.21 1n80 s PHE 249 N 1.09 3.95 -0.50 5.12 0.40 0.41 -1.58 117.98 126.88 1n80 s PHE 249 Ca -0.00 1.79 0.04 0.00 -0.60 0.00 0.00 56.93 58.16 1n80 s PHE 249 Cb -0.14 -2.88 0.17 0.00 0.51 0.00 0.00 43.02 40.67 1n80 s PHE 249 CO -0.06 0.49 0.38 0.21 0.70 0.00 0.00 175.22 176.94 1n80 s LYS 250 N -1.17 1.37 0.43 0.44 2.20 0.12 -3.26 119.74 119.87 1n80 s LYS 250 Ca 0.39 -2.45 0.06 0.00 -0.36 0.00 0.00 55.97 53.60 1n80 s LYS 250 Cb -0.25 -2.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.98 1n80 s LYS 250 CO 0.29 -1.35 0.10 0.00 -0.36 0.00 0.00 175.35 174.04 1n80 s ALA 251 N -0.36 3.53 0.02 3.13 0.00 -0.90 -4.64 121.76 122.54 1n80 s ALA 251 Ca 0.30 -1.94 0.02 0.00 0.00 0.00 0.00 51.96 50.34 1n80 s ALA 251 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1n80 s ALA 251 CO -0.18 -0.15 -0.06 0.71 0.00 0.00 0.00 175.76 176.08 1n80 s TYR 252 N -2.69 0.56 -0.15 0.00 2.02 -1.26 -0.57 117.35 115.26 1n80 s TYR 252 Ca 0.34 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 1n80 s TYR 252 Cb 0.06 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.23 1n80 s TYR 252 CO 0.18 -0.05 0.08 -0.51 -1.57 0.00 0.00 175.55 173.68 1n80 s LEU 253 N -0.95 3.99 -0.27 -1.29 1.43 -0.07 -4.90 118.68 116.62 1n80 s LEU 253 Ca -0.05 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1n80 s LEU 253 Cb -0.07 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.24 1n80 s LEU 253 CO 0.00 0.29 -0.08 -0.62 0.23 0.00 0.00 176.35 176.17 1n80 s ASP 254 N -0.30 4.40 0.00 2.29 3.68 -1.26 -1.68 116.67 123.79 1n80 s ASP 254 Ca 0.09 -1.47 0.01 0.00 2.13 0.00 0.00 52.55 53.31 1n80 s ASP 254 Cb -0.12 -1.50 0.03 0.00 -1.45 0.00 0.00 42.92 39.89 1n80 s ASP 254 CO 0.01 -0.23 0.75 -1.54 0.13 0.00 0.00 175.17 174.30 1n80 n SER 255 N 4.45 0.00 0.20 -0.34 3.41 -1.12 -1.44 113.62 118.79 1n80 n SER 255 Ca -0.11 0.21 0.05 0.00 -0.26 0.00 0.00 58.87 58.76 1n80 n SER 255 Cb 0.42 -0.22 0.43 0.00 -0.26 0.00 0.00 64.21 64.58 1n80 n SER 255 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1n80 h VAL 256 N 0.00 1.07 -0.00 -3.33 3.04 -1.84 -2.63 116.25 112.56 1n80 h VAL 256 Ca 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 66.70 64.54 1n80 h VAL 256 Cb 0.00 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1n80 h VAL 256 CO 0.00 0.31 -0.21 -1.22 -1.01 0.00 0.00 177.57 175.44 1n80 n TYR 257 N -3.93 0.00 -2.84 3.17 4.01 -0.52 -4.43 117.16 112.62 1n80 n TYR 257 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1n80 n TYR 257 Cb 0.38 -0.24 0.06 0.00 -0.31 0.00 0.00 39.34 39.23 1n80 n TYR 257 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1n80 n PHE 258 N -1.13 -1.75 0.20 -0.72 1.16 -1.02 -4.98 117.46 109.23 1n80 n PHE 258 Ca 0.11 -2.58 0.09 0.00 -1.87 0.00 0.00 57.45 53.20 1n80 n PHE 258 Cb 0.31 0.96 0.42 0.00 -1.61 0.00 0.00 39.48 39.57 1n80 n PHE 258 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1n80 n PRO 259 N 0.17 0.11 0.15 3.97 -0.04 -1.06 -1.89 135.00 136.40 1n80 n PRO 259 Ca 0.10 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 1n80 n PRO 259 Cb 0.72 -1.81 0.33 0.00 -0.04 0.00 0.00 33.50 32.70 1n80 n PRO 259 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1n80 h GLU 260 N 0.00 0.00 0.00 0.54 4.39 -1.93 -3.19 114.58 114.38 1n80 h GLU 260 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n80 h GLU 260 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1n80 h GLU 260 CO 0.00 0.00 -1.25 0.00 -1.16 0.00 0.00 179.01 176.60 1n80 n ALA 261 N -1.90 3.77 -1.46 3.43 0.00 -0.79 -4.41 120.51 119.15 1n80 n ALA 261 Ca 0.05 -0.50 -0.22 0.00 0.00 0.00 0.00 53.44 52.77 1n80 n ALA 261 Cb 0.46 -0.67 0.13 0.00 0.00 0.00 0.00 19.45 19.37 1n80 n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n80 n ALA 262 N -1.71 5.39 -1.16 0.00 0.00 -1.19 -4.82 120.51 117.02 1n80 n ALA 262 Ca 0.01 -3.30 -0.30 0.00 0.00 0.00 0.00 53.44 49.84 1n80 n ALA 262 Cb 0.37 -1.16 0.12 0.00 0.00 0.00 0.00 19.45 18.78 1n80 n ALA 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n80 s LEU 263 N -3.50 2.60 0.21 0.00 1.43 -1.24 -3.81 118.68 114.36 1n80 s LEU 263 Ca 0.55 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 55.15 1n80 s LEU 263 Cb 0.46 -4.22 0.18 0.00 0.03 0.00 0.00 46.19 42.64 1n80 s LEU 263 CO 0.03 -2.47 1.52 -2.65 0.23 0.00 0.00 176.35 173.01 1n80 n PRO 264 N -3.80 -0.27 -2.73 1.29 -0.02 -1.26 -2.72 135.00 125.50 1n80 n PRO 264 Ca 0.08 1.51 -0.39 0.00 -2.02 0.00 0.00 63.50 62.67 1n80 n PRO 264 Cb 0.54 -2.23 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1n80 n PRO 264 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n80 n GLY 265 N -1.42 5.96 3.94 -1.23 0.00 -1.26 -5.02 105.19 106.16 1n80 n GLY 265 Ca 0.08 -2.62 -0.25 0.00 0.00 0.00 0.00 46.02 43.24 1n80 n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n80 s ASN 266 N -1.65 6.35 0.00 1.61 2.20 -1.10 -5.02 114.94 117.32 1n80 s ASN 266 Ca 0.39 0.28 0.20 0.00 -0.94 0.00 0.00 52.86 52.79 1n80 s ASN 266 Cb 0.18 -1.95 0.68 0.00 -2.00 0.00 0.00 41.25 38.15 1n80 s ASN 266 CO -0.10 -0.05 1.50 0.29 -2.94 0.00 0.00 177.10 175.80 1n80 n LYS 267 N -0.91 1.80 -0.19 3.55 4.01 -1.26 -4.98 118.16 120.18 1n80 n LYS 267 Ca -0.06 -1.21 0.03 0.00 -0.51 0.00 0.00 58.31 56.55 1n80 n LYS 267 Cb 0.55 -1.39 -0.01 0.00 -0.51 0.00 0.00 35.03 33.67 1n80 n LYS 267 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1n80 n GLY 268 N 1.15 -2.10 3.45 0.72 0.00 -1.26 -4.80 105.19 102.35 1n80 n GLY 268 Ca 0.16 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 1n80 n GLY 268 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n80 s PHE 269 N -0.85 2.34 0.00 1.61 -0.12 -0.11 -4.20 117.98 116.65 1n80 s PHE 269 Ca 0.00 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1n80 s PHE 269 Cb 0.00 -1.14 0.00 0.00 -0.63 0.00 0.00 43.02 41.25 1n80 s PHE 269 CO 0.00 0.52 0.00 0.54 -0.05 0.00 0.00 175.22 176.23 1n80 n ARG 270 N 0.15 3.17 -5.27 1.99 1.74 0.44 -2.16 116.66 116.72 1n80 n ARG 270 Ca -0.12 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 1n80 n ARG 270 Cb 0.56 -0.42 -0.16 0.00 -1.02 0.00 0.00 32.46 31.42 1n80 n ARG 270 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1n80 s GLN 271 N -0.59 2.21 0.02 5.56 -0.21 0.46 -1.81 119.66 125.29 1n80 s GLN 271 Ca 0.00 -0.91 0.04 0.00 0.02 0.00 0.00 55.36 54.51 1n80 s GLN 271 Cb 0.00 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.91 1n80 s GLN 271 CO 0.00 0.54 -0.13 0.42 -2.12 0.00 0.00 175.29 174.00 1n80 s ILE 272 N -0.55 1.02 0.24 1.08 -1.09 -0.69 -0.60 121.20 120.61 1n80 s ILE 272 Ca 0.08 -0.80 -0.14 0.00 -2.23 0.00 0.00 60.65 57.56 1n80 s ILE 272 Cb -0.11 -0.90 0.00 0.00 -1.58 0.00 0.00 42.46 39.87 1n80 s ILE 272 CO -0.00 0.10 0.51 -0.94 -1.23 0.00 0.00 174.94 173.37 1n80 s SER 273 N -0.80 -0.13 -0.06 3.58 1.04 -0.97 -1.00 113.70 115.37 1n80 s SER 273 Ca 0.02 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.65 1n80 s SER 273 Cb -0.07 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.67 1n80 s SER 273 CO 0.01 -1.14 -0.08 -0.63 0.98 0.00 0.00 173.24 172.37 1n80 s ILE 274 N -3.98 0.82 -0.11 -1.02 1.01 -0.72 -0.93 121.20 116.27 1n80 s ILE 274 Ca 0.19 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1n80 s ILE 274 Cb -0.01 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1n80 s ILE 274 CO 0.07 0.29 -0.17 -0.63 0.00 0.00 0.00 174.94 174.50 1n80 s ILE 275 N 0.86 1.62 -0.08 2.92 1.01 0.13 -1.86 121.20 125.80 1n80 s ILE 275 Ca -0.12 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 1n80 s ILE 275 Cb -0.15 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1n80 s ILE 275 CO 0.01 0.46 0.35 0.42 0.00 0.00 0.00 174.94 176.19 1n80 s THR 276 N 0.89 5.19 -1.34 2.92 -4.23 0.09 -1.07 115.64 118.09 1n80 s THR 276 Ca -0.08 0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 61.07 1n80 s THR 276 Cb -0.15 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.04 1n80 s THR 276 CO -0.01 0.49 1.00 0.59 -0.54 0.00 0.00 174.62 176.16 1n80 n ASN 277 N 2.63 -3.82 -4.75 3.99 3.02 -0.78 -0.52 115.26 115.03 1n80 n ASN 277 Ca -0.13 -0.66 -0.33 0.00 -0.03 0.00 0.00 54.58 53.42 1n80 n ASN 277 Cb 0.52 -4.65 0.07 0.00 -0.61 0.00 0.00 39.78 35.11 1n80 n ASN 277 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1n80 s PRO 278 N -6.04 2.49 0.05 3.52 0.04 -1.26 -3.72 135.00 130.09 1n80 s PRO 278 Ca 0.32 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 1n80 s PRO 278 Cb -0.15 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1n80 s PRO 278 CO 0.77 -1.51 0.23 -0.51 0.04 0.00 0.00 177.00 176.02 1n80 s LEU 279 N -5.07 4.35 0.72 -3.56 1.43 -1.26 -0.84 118.68 114.45 1n80 s LEU 279 Ca 0.69 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 54.04 1n80 s LEU 279 Cb -0.23 -2.88 0.03 0.00 0.03 0.00 0.00 46.19 43.13 1n80 s LEU 279 CO 0.44 0.19 1.08 -1.61 0.23 0.00 0.00 176.35 176.68 1n80 s GLU 280 N -2.29 2.61 0.80 1.70 2.02 -0.13 0.37 118.70 123.78 1n80 s GLU 280 Ca 0.33 1.16 -0.14 0.00 0.02 0.00 0.00 54.97 56.33 1n80 s GLU 280 Cb -0.13 -1.94 0.03 0.00 0.10 0.00 0.00 34.13 32.19 1n80 s GLU 280 CO 0.24 -1.37 0.79 0.00 0.02 0.00 0.00 175.26 174.94 1n80 n ALA 281 N -3.10 -1.08 -2.48 5.21 0.00 0.00 -3.18 120.51 115.87 1n80 n ALA 281 Ca 0.09 -0.35 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 1n80 n ALA 281 Cb 0.53 -2.01 -0.14 0.00 0.00 0.00 0.00 19.45 17.83 1n80 n ALA 281 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n80 s LYS 282 N -3.50 1.35 0.13 0.00 1.02 -1.26 -4.80 119.74 112.69 1n80 s LYS 282 Ca 0.67 -1.02 -0.10 0.00 0.02 0.00 0.00 55.97 55.54 1n80 s LYS 282 Cb -0.30 -1.53 -0.07 0.00 -0.52 0.00 0.00 37.83 35.42 1n80 s LYS 282 CO 0.57 0.38 1.39 0.00 -0.92 0.00 0.00 175.35 176.76 1n80 h ALA 283 N 4.63 0.45 -3.30 5.17 0.00 -1.97 -3.44 119.26 120.80 1n80 h ALA 283 Ca -0.44 -0.56 -0.24 0.00 0.00 0.00 0.00 54.91 53.67 1n80 h ALA 283 Cb 1.16 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.59 1n80 h ALA 283 CO 0.43 0.69 -0.61 -1.01 0.00 0.00 0.00 179.25 178.75 1n80 s HIS 284 N -3.91 -0.14 0.28 0.00 3.76 -1.26 -5.05 115.29 108.96 1n80 s HIS 284 Ca -0.10 0.43 0.15 0.00 -0.15 0.00 0.00 55.06 55.40 1n80 s HIS 284 Cb 0.10 -0.08 1.00 0.00 1.11 0.00 0.00 32.58 34.71 1n80 s HIS 284 CO 0.89 -0.15 1.21 -2.30 -0.85 0.00 0.00 174.74 173.54 1n80 n PRO 285 N 4.05 -0.05 -0.14 8.40 -0.02 -1.26 0.11 135.00 146.09 1n80 n PRO 285 Ca -0.25 1.07 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 1n80 n PRO 285 Cb 0.52 -1.90 0.30 0.00 -0.02 0.00 0.00 33.50 32.40 1n80 n PRO 285 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1n80 n ASN 286 N -4.76 2.26 -4.75 2.55 2.85 -1.26 -4.92 115.26 107.23 1n80 n ASN 286 Ca 0.28 -1.84 -0.31 0.00 -0.11 0.00 0.00 54.58 52.60 1n80 n ASN 286 Cb 0.96 -0.18 0.11 0.00 1.24 0.00 0.00 39.78 41.90 1n80 n ASN 286 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1n80 s ASP 287 N -1.42 4.18 0.69 1.20 1.01 0.12 -4.97 116.67 117.48 1n80 s ASP 287 Ca 0.33 1.90 -0.16 0.00 0.71 0.00 0.00 52.55 55.33 1n80 s ASP 287 Cb 0.18 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.60 1n80 s ASP 287 CO 0.26 -2.26 1.22 -2.16 0.21 0.00 0.00 175.17 172.45 1n80 s PRO 288 N -4.84 2.34 0.05 8.23 0.04 -1.26 -4.98 135.00 134.58 1n80 s PRO 288 Ca 0.62 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 1n80 s PRO 288 Cb -0.18 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1n80 s PRO 288 CO 0.56 -1.70 1.02 -0.80 0.04 0.00 0.00 177.00 176.12 1n80 s ASN 289 N -1.85 7.35 -0.20 6.66 0.01 -1.26 -5.04 114.94 120.61 1n80 s ASN 289 Ca 0.76 1.78 0.01 0.00 -0.71 0.00 0.00 52.86 54.70 1n80 s ASN 289 Cb -0.31 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 38.80 1n80 s ASN 289 CO 0.42 -0.24 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.90 1n80 s VAL 290 N 0.69 2.11 0.08 1.60 1.01 -1.26 -5.06 120.40 119.58 1n80 s VAL 290 Ca 0.52 -1.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 1n80 s VAL 290 Cb -0.23 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1n80 s VAL 290 CO 0.29 0.41 1.64 -0.75 0.00 0.00 0.00 175.10 176.70 1n80 s LYS 291 N 1.25 4.20 0.24 2.72 2.47 -1.26 -0.96 119.74 128.40 1n80 s LYS 291 Ca 0.02 2.34 -0.30 0.00 -1.56 0.00 0.00 55.97 56.47 1n80 s LYS 291 Cb -0.15 -3.53 -0.10 0.00 -1.46 0.00 0.00 37.83 32.59 1n80 s LYS 291 CO -0.11 -0.71 1.43 0.00 0.16 0.00 0.00 175.35 176.12 1n80 s ALA 292 N 2.41 3.63 0.00 3.13 0.00 -0.02 -4.79 121.76 126.12 1n80 s ALA 292 Ca 0.73 1.31 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1n80 s ALA 292 Cb -0.40 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1n80 s ALA 292 CO 0.32 -0.73 0.04 0.39 0.00 0.00 0.00 175.76 175.79 1n80 n GLU 293 N 2.45 0.00 -1.41 0.00 1.02 -1.26 -4.82 120.64 116.62 1n80 n GLU 293 Ca 0.07 -0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.87 1n80 n GLU 293 Cb 0.40 -0.43 0.11 0.00 -0.02 0.00 0.00 31.44 31.51 1n80 n GLU 293 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1n80 s LYS 294 N 0.00 1.77 0.32 3.49 1.02 -1.26 -4.95 119.74 120.12 1n80 s LYS 294 Ca 0.00 0.72 0.14 0.00 0.02 0.00 0.00 55.97 56.85 1n80 s LYS 294 Cb 0.00 -1.88 0.50 0.00 -0.52 0.00 0.00 37.83 35.93 1n80 s LYS 294 CO 0.00 -1.86 1.67 -0.44 -0.92 0.00 0.00 175.35 173.80 1n80 h ASP 295 N -1.27 0.00 -3.78 2.83 3.32 -1.95 -3.41 116.42 112.16 1n80 h ASP 295 Ca -0.48 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.40 1n80 h ASP 295 Cb 1.27 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.56 1n80 h ASP 295 CO 0.57 0.51 -0.44 -0.47 -1.72 0.00 0.00 179.24 177.69 1n80 s TYR 296 N -3.63 -0.27 0.04 4.55 6.14 -1.26 -0.51 117.35 122.41 1n80 s TYR 296 Ca -0.01 0.66 0.04 0.00 0.64 0.00 0.00 57.07 58.40 1n80 s TYR 296 Cb 0.12 0.09 -0.02 0.00 0.42 0.00 0.00 41.96 42.57 1n80 s TYR 296 CO 0.73 -0.14 -0.12 0.71 0.64 0.00 0.00 175.55 177.38 1n80 s TYR 297 N 0.22 1.01 -0.01 4.97 2.02 -0.72 -5.00 117.35 119.84 1n80 s TYR 297 Ca -0.01 -0.37 -0.19 0.00 -0.37 0.00 0.00 57.07 56.13 1n80 s TYR 297 Cb -0.02 -0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 1n80 s TYR 297 CO -0.00 0.01 0.54 0.34 -1.57 0.00 0.00 175.55 174.86 1n80 s ASP 298 N -1.21 6.91 0.46 2.29 -1.08 -1.26 -1.80 116.67 120.98 1n80 s ASP 298 Ca -0.02 1.08 0.30 0.00 -0.52 0.00 0.00 52.55 53.39 1n80 s ASP 298 Cb -0.08 -2.33 1.38 0.00 -1.46 0.00 0.00 42.92 40.43 1n80 s ASP 298 CO 0.01 0.15 1.70 -0.65 0.52 0.00 0.00 175.17 176.90 1n80 h PRO 299 N 5.50 0.15 0.00 4.34 0.11 -1.88 0.90 132.00 141.12 1n80 h PRO 299 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1n80 h PRO 299 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1n80 h PRO 299 CO 0.68 0.10 -0.04 0.93 -0.21 0.00 0.00 178.00 179.46 1n80 h GLU 300 N 0.16 0.00 -0.55 1.05 3.07 -1.95 -2.23 114.58 114.14 1n80 h GLU 300 Ca 0.72 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.58 1n80 h GLU 300 Cb 2.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.21 1n80 h GLU 300 CO -0.27 0.04 0.00 -0.25 -1.40 0.00 0.00 179.01 177.13 1n80 n ASP 301 N -3.74 2.76 -4.32 1.42 8.00 0.31 -4.81 116.55 116.17 1n80 n ASP 301 Ca -0.03 -2.19 -0.28 0.00 0.71 0.00 0.00 54.79 53.00 1n80 n ASP 301 Cb 0.13 -0.40 -0.14 0.00 -0.02 0.00 0.00 41.12 40.70 1n80 n ASP 301 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n80 s LEU 302 N -1.20 2.21 -0.11 0.64 1.43 -0.84 -0.82 118.68 119.99 1n80 s LEU 302 Ca 0.29 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 1n80 s LEU 302 Cb 0.18 -1.15 -0.06 0.00 0.03 0.00 0.00 46.19 45.19 1n80 s LEU 302 CO 0.15 0.19 2.02 -0.32 0.23 0.00 0.00 176.35 178.63 1n80 s MET 303 N -1.47 3.65 0.30 1.70 -2.45 0.16 -4.29 119.30 116.89 1n80 s MET 303 Ca 0.11 2.21 -0.30 0.00 -1.25 0.00 0.00 55.69 56.46 1n80 s MET 303 Cb -0.10 -4.23 -0.12 0.00 1.25 0.00 0.00 34.83 31.63 1n80 s MET 303 CO 0.03 -1.51 1.52 -2.13 1.05 0.00 0.00 175.02 173.98 1n80 n ARG 304 N 8.09 2.53 -0.93 4.11 0.63 -1.26 -2.01 116.66 127.81 1n80 n ARG 304 Ca 0.24 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 58.07 1n80 n ARG 304 Cb 0.43 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1n80 n ARG 304 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1n80 n HIS 305 N 1.70 0.00 -1.99 -0.14 8.25 -1.26 -5.01 115.22 116.77 1n80 n HIS 305 Ca 0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.25 1n80 n HIS 305 Cb 0.36 -0.43 0.06 0.00 1.12 0.00 0.00 29.99 31.10 1n80 n HIS 305 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n80 s SER 306 N -2.42 5.03 0.17 0.41 1.04 -0.85 -4.91 113.70 112.16 1n80 s SER 306 Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1n80 s SER 306 Cb 0.00 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.57 1n80 s SER 306 CO 0.00 -1.56 0.00 0.61 0.98 0.00 0.00 173.24 173.27 1n80 n GLY 307 N -3.06 -2.06 3.19 7.32 0.00 -1.24 -4.65 105.19 104.68 1n80 n GLY 307 Ca 0.07 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 1n80 n GLY 307 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n80 s GLU 308 N -1.27 3.09 -0.57 1.61 0.41 0.33 -4.91 118.70 117.39 1n80 s GLU 308 Ca 0.00 -0.79 -0.25 0.00 -0.41 0.00 0.00 54.97 53.52 1n80 s GLU 308 Cb 0.00 -2.60 0.04 0.00 -1.78 0.00 0.00 34.13 29.79 1n80 s GLU 308 CO 0.00 -0.12 1.00 1.41 -0.49 0.00 0.00 175.26 177.06 1n80 s MET 309 N 1.10 3.34 0.00 1.61 1.75 -1.26 -0.74 119.30 125.11 1n80 s MET 309 Ca 0.00 -0.21 0.21 0.00 -1.25 0.00 0.00 55.69 54.44 1n80 s MET 309 Cb -0.14 -4.06 -0.07 0.00 2.84 0.00 0.00 34.83 33.40 1n80 s MET 309 CO -0.07 -1.57 0.99 0.44 -0.65 0.00 0.00 175.02 174.17 1n80 n ILE 310 N 6.27 0.00 -3.69 10.11 -5.35 -0.77 -4.95 119.36 120.97 1n80 n ILE 310 Ca 0.03 -0.20 -0.11 0.00 -0.27 0.00 0.00 62.75 62.19 1n80 n ILE 310 Cb 0.48 1.18 -0.09 0.00 -1.74 0.00 0.00 39.64 39.46 1n80 n ILE 310 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1n80 s TYR 311 N -2.53 -0.66 -0.01 4.28 6.14 -1.23 -5.00 117.35 118.35 1n80 s TYR 311 Ca 0.15 1.47 0.03 0.00 0.64 0.00 0.00 57.07 59.36 1n80 s TYR 311 Cb 0.17 0.29 -0.01 0.00 0.42 0.00 0.00 41.96 42.83 1n80 s TYR 311 CO 0.62 -0.34 -0.10 -1.64 0.64 0.00 0.00 175.55 174.74 1n80 s MET 312 N 0.87 0.81 -0.16 4.97 -1.94 -1.26 -1.75 119.30 120.84 1n80 s MET 312 Ca -0.05 -0.37 -0.08 0.00 -1.71 0.00 0.00 55.69 53.48 1n80 s MET 312 Cb -0.05 -0.78 0.06 0.00 2.01 0.00 0.00 34.83 36.06 1n80 s MET 312 CO -0.07 0.21 0.36 -2.00 -0.01 0.00 0.00 175.02 173.51 1n80 s GLU 313 N -0.28 0.32 -0.04 2.03 2.12 -0.17 -4.87 118.70 117.81 1n80 s GLU 313 Ca 0.04 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.13 1n80 s GLU 313 Cb -0.04 0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.32 1n80 s GLU 313 CO -0.00 -0.18 -0.01 -0.80 -0.54 0.00 0.00 175.26 173.72 1n80 s ASN 314 N 1.64 5.10 0.21 -1.70 0.01 -1.26 -1.71 114.94 117.23 1n80 s ASN 314 Ca -0.07 0.05 -0.16 0.00 -0.71 0.00 0.00 52.86 51.96 1n80 s ASN 314 Cb -0.10 -1.36 0.02 0.00 0.41 0.00 0.00 41.25 40.22 1n80 s ASN 314 CO -0.11 0.33 0.52 0.00 -1.51 0.00 0.00 177.10 176.32 1n80 s ARG 315 N -1.22 1.43 0.83 -0.60 1.70 -0.75 -4.83 118.95 115.51 1n80 s ARG 315 Ca 0.16 -0.96 -0.12 0.00 -0.47 0.00 0.00 55.73 54.34 1n80 s ARG 315 Cb -0.11 0.51 0.10 0.00 -0.57 0.00 0.00 34.95 34.87 1n80 s ARG 315 CO 0.06 -0.60 1.19 -2.14 -1.08 0.00 0.00 175.30 172.72 1n80 s PRO 316 N -3.91 1.53 0.77 3.89 0.02 -1.26 -4.68 135.00 131.36 1n80 s PRO 316 Ca 0.12 1.68 -0.15 0.00 0.02 0.00 0.00 61.00 62.68 1n80 s PRO 316 Cb -0.01 -1.77 0.05 0.00 0.02 0.00 0.00 34.50 32.79 1n80 s PRO 316 CO 0.00 -2.28 1.12 -0.35 -0.33 0.00 0.00 177.00 175.15 1n80 n PRO 317 N -3.51 0.37 -3.73 5.54 -0.04 -1.26 -4.78 135.00 127.59 1n80 n PRO 317 Ca 0.13 0.20 -0.20 0.00 -0.04 0.00 0.00 63.50 63.58 1n80 n PRO 317 Cb 0.51 -2.36 -0.18 0.00 -0.04 0.00 0.00 33.50 31.43 1n80 n PRO 317 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1n80 s ILE 318 N -1.95 0.05 -0.21 0.52 -1.09 -0.92 -4.95 121.20 112.65 1n80 s ILE 318 Ca 0.74 0.30 -0.10 0.00 -2.23 0.00 0.00 60.65 59.36 1n80 s ILE 318 Cb -0.32 -0.26 -0.05 0.00 -1.58 0.00 0.00 42.46 40.25 1n80 s ILE 318 CO 0.50 0.19 0.13 -0.63 -1.23 0.00 0.00 174.94 173.90 1n80 s ILE 319 N 1.95 5.27 -0.04 2.92 1.09 -1.26 -0.93 121.20 130.20 1n80 s ILE 319 Ca 0.03 0.14 -0.09 0.00 -1.10 0.00 0.00 60.65 59.64 1n80 s ILE 319 Cb -0.12 -3.42 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 1n80 s ILE 319 CO -0.03 0.41 0.26 0.00 -0.10 0.00 0.00 174.94 175.48 1n80 s MET 320 N 0.59 3.62 0.66 2.79 0.23 -1.26 -5.02 119.30 120.90 1n80 s MET 320 Ca 0.07 0.03 -0.03 0.00 -1.03 0.00 0.00 55.69 54.73 1n80 s MET 320 Cb -0.12 -3.15 0.14 0.00 -1.53 0.00 0.00 34.83 30.17 1n80 s MET 320 CO 0.00 0.70 0.90 0.00 -2.03 0.00 0.00 175.02 174.59 1n80 n ALA 321 N 1.57 -0.14 0.45 3.16 0.00 -1.26 -4.77 120.51 119.52 1n80 n ALA 321 Ca -0.15 -1.61 -0.18 0.00 0.00 0.00 0.00 53.44 51.51 1n80 n ALA 321 Cb 0.53 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 20.10 1n80 n ALA 321 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1n80 h MET 322 N 0.00 -1.10 -4.06 0.00 2.86 -1.93 -3.38 114.93 107.32 1n80 h MET 322 Ca -0.30 0.08 -0.66 0.00 -2.06 0.00 0.00 59.70 56.76 1n80 h MET 322 Cb 1.02 0.25 -0.39 0.00 0.06 0.00 0.00 31.60 32.54 1n80 h MET 322 CO 0.29 -0.74 -0.62 -0.51 1.06 0.00 0.00 176.91 176.39 1n80 s ASP 323 N -3.81 4.73 0.12 1.22 1.01 -1.26 -4.46 116.67 114.22 1n80 s ASP 323 Ca -0.17 -2.54 -0.24 0.00 0.71 0.00 0.00 52.55 50.31 1n80 s ASP 323 Cb 0.02 -1.69 0.07 0.00 1.01 0.00 0.00 42.92 42.33 1n80 s ASP 323 CO 0.50 -0.35 0.63 -1.58 0.21 0.00 0.00 175.17 174.59 1n80 s GLN 324 N 0.38 1.22 0.08 8.23 2.00 -1.26 -5.07 119.66 125.24 1n80 s GLN 324 Ca 0.14 -0.38 0.09 0.00 -2.00 0.00 0.00 55.36 53.21 1n80 s GLN 324 Cb -0.22 0.56 -0.03 0.00 0.80 0.00 0.00 33.01 34.12 1n80 s GLN 324 CO -0.04 -0.52 -0.25 0.95 -0.50 0.00 0.00 175.29 174.93 1n80 s THR 325 N -3.42 2.02 -0.15 -0.34 -4.23 -1.26 -2.77 115.64 105.49 1n80 s THR 325 Ca -0.00 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1n80 s THR 325 Cb -0.01 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.07 1n80 s THR 325 CO -0.10 0.19 -0.18 -1.61 -0.54 0.00 0.00 174.62 172.39 1n80 s GLU 326 N -1.56 3.16 -0.10 3.99 0.41 -0.68 -4.90 118.70 119.02 1n80 s GLU 326 Ca 0.11 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 53.59 1n80 s GLU 326 Cb -0.10 -2.55 -0.02 0.00 -1.78 0.00 0.00 34.13 29.68 1n80 s GLU 326 CO 0.03 0.03 0.97 -2.00 -0.49 0.00 0.00 175.26 173.80 1n80 s GLU 327 N 0.77 4.43 -0.22 1.61 2.12 -1.26 -0.89 118.70 125.26 1n80 s GLU 327 Ca -0.07 1.33 -0.06 0.00 0.36 0.00 0.00 54.97 56.54 1n80 s GLU 327 Cb -0.16 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 1n80 s GLU 327 CO 0.00 -0.26 0.02 0.42 -0.54 0.00 0.00 175.26 174.91 1n80 s ILE 328 N 1.83 4.06 -0.12 -3.70 -1.09 0.26 -4.99 121.20 117.45 1n80 s ILE 328 Ca 0.47 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 1n80 s ILE 328 Cb -0.18 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.82 1n80 s ILE 328 CO 0.19 0.40 -0.17 0.20 -1.23 0.00 0.00 174.94 174.32 1n80 s ASN 329 N 1.26 3.64 0.08 3.58 0.02 -1.26 -2.12 114.94 120.14 1n80 s ASN 329 Ca 0.04 -0.43 0.04 0.00 -1.02 0.00 0.00 52.86 51.50 1n80 s ASN 329 Cb -0.15 -1.53 -0.03 0.00 0.02 0.00 0.00 41.25 39.56 1n80 s ASN 329 CO 0.02 0.16 -0.12 -0.63 0.02 0.00 0.00 177.10 176.55 1n80 s ILE 330 N 0.37 1.03 -0.10 0.60 1.01 -1.20 -4.92 121.20 117.98 1n80 s ILE 330 Ca -0.14 -1.45 0.02 0.00 0.00 0.00 0.00 60.65 59.09 1n80 s ILE 330 Cb -0.17 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1n80 s ILE 330 CO 0.07 -0.37 -0.17 -0.76 0.00 0.00 0.00 174.94 173.70 1n80 s LEU 331 N -2.05 1.83 -0.21 2.97 1.43 -1.26 -0.45 118.68 120.95 1n80 s LEU 331 Ca 0.01 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1n80 s LEU 331 Cb -0.07 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1n80 s LEU 331 CO 0.02 0.06 -0.11 -0.36 0.23 0.00 0.00 176.35 176.18 1n80 s PHE 332 N 0.78 2.90 -0.15 0.29 2.99 -0.47 -4.98 117.98 119.33 1n80 s PHE 332 Ca -0.11 -1.31 -0.06 0.00 0.00 0.00 0.00 56.93 55.46 1n80 s PHE 332 Cb -0.16 -2.02 -0.04 0.00 0.00 0.00 0.00 43.02 40.80 1n80 s PHE 332 CO 0.01 -0.68 0.05 0.99 -0.00 0.00 0.00 175.22 175.60 1n80 s THR 333 N 1.38 4.72 -1.37 0.64 2.01 -1.26 -1.06 115.64 120.70 1n80 s THR 333 Ca 0.05 -0.07 0.11 0.00 0.31 0.00 0.00 61.69 62.09 1n80 s THR 333 Cb -0.14 -3.08 0.09 0.00 0.01 0.00 0.00 72.50 69.37 1n80 s THR 333 CO -0.08 0.52 0.85 0.49 -0.69 0.00 0.00 174.62 175.71