#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nu5 s LEU 2 N 0.00 4.36 0.30 -3.43 2.96 -1.26 -5.03 118.68 116.58 2nu5 s LEU 2 Ca 0.00 1.46 0.04 0.00 -0.22 0.00 0.00 54.13 55.40 2nu5 s LEU 2 Cb 0.00 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2nu5 s LEU 2 CO 0.00 -0.18 0.18 0.28 -1.32 0.00 0.00 176.35 175.31 2nu5 s THR 3 N 0.82 0.25 -0.00 3.68 -1.32 -1.26 -5.17 115.64 112.64 2nu5 s THR 3 Ca 0.45 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.82 2nu5 s THR 3 Cb -0.20 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.30 2nu5 s THR 3 CO 0.24 0.00 0.22 -2.28 -2.21 0.00 0.00 174.62 170.58 2nu5 s HIS 4 N -3.62 -0.05 -0.01 9.09 5.04 -1.26 -5.15 115.29 119.33 2nu5 s HIS 4 Ca 0.36 0.02 0.01 0.00 -1.54 0.00 0.00 55.06 53.91 2nu5 s HIS 4 Cb 0.05 0.02 0.00 0.00 0.04 0.00 0.00 32.58 32.69 2nu5 s HIS 4 CO 0.19 -0.35 -0.02 1.03 -2.34 0.00 0.00 174.74 173.25 2nu5 s ARG 5 N -1.48 0.19 -0.05 2.88 0.52 -1.26 -5.15 118.95 114.60 2nu5 s ARG 5 Ca -0.13 -0.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.99 2nu5 s ARG 5 Cb -0.06 -0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 2nu5 s ARG 5 CO 0.02 0.02 0.14 0.21 0.02 0.00 0.00 175.30 175.71 2nu5 s LYS 6 N 0.12 3.35 0.03 3.54 2.20 -1.26 -5.12 119.74 122.61 2nu5 s LYS 6 Ca -0.01 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.35 2nu5 s LYS 6 Cb -0.03 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 2nu5 s LYS 6 CO -0.00 0.71 -0.11 -0.06 -0.36 0.00 0.00 175.35 175.53 2nu5 s PHE 7 N -1.17 0.92 0.00 4.03 0.40 -1.26 -5.11 117.98 115.79 2nu5 s PHE 7 Ca 0.21 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2nu5 s PHE 7 Cb -0.12 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.85 2nu5 s PHE 7 CO 0.12 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.44 2nu5 n GLY 8 N 2.11 -0.74 0.00 4.36 0.00 -1.26 -5.08 105.19 104.58 2nu5 n GLY 8 Ca -0.18 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.68 2nu5 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 9 N 0.00 2.76 0.25 -0.02 0.00 -1.26 -5.06 105.19 101.86 2nu5 n GLY 9 Ca 0.00 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 44.01 2nu5 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2nu5 n SER 10 N -1.97 1.28 -3.56 1.61 7.64 -1.26 -5.01 113.62 112.35 2nu5 n SER 10 Ca 0.00 -1.02 -0.22 0.00 1.01 0.00 0.00 58.87 58.64 2nu5 n SER 10 Cb 0.00 0.43 0.15 0.00 -1.01 0.00 0.00 64.21 63.78 2nu5 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nu5 n GLY 11 N 1.42 -1.05 0.28 0.23 0.00 -1.26 -5.00 105.19 99.81 2nu5 n GLY 11 Ca 0.09 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.39 2nu5 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 12 N -1.58 -1.45 3.67 -0.02 0.00 -1.26 -4.93 105.19 99.62 2nu5 n GLY 12 Ca 0.13 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 2nu5 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nu5 s SER 13 N -3.19 5.15 0.48 1.61 0.01 -1.26 -5.11 113.70 111.39 2nu5 s SER 13 Ca 0.00 0.11 -0.22 0.00 1.31 0.00 0.00 55.95 57.15 2nu5 s SER 13 Cb 0.00 -1.42 -0.07 0.00 0.21 0.00 0.00 66.02 64.74 2nu5 s SER 13 CO 0.00 0.37 1.17 -2.16 0.41 0.00 0.00 173.24 173.03 2nu5 s PRO 14 N -0.92 3.66 0.13 12.44 0.04 -1.26 -5.05 135.00 144.04 2nu5 s PRO 14 Ca 0.14 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.95 2nu5 s PRO 14 Cb -0.11 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 2nu5 s PRO 14 CO 0.03 -0.63 -0.01 -0.59 0.04 0.00 0.00 177.00 175.83 2nu5 s PHE 15 N -1.57 1.00 0.06 0.56 -0.12 -1.26 -4.78 117.98 111.87 2nu5 s PHE 15 Ca 0.66 -1.03 0.09 0.00 -0.05 0.00 0.00 56.93 56.60 2nu5 s PHE 15 Cb -0.28 -0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 41.50 2nu5 s PHE 15 CO 0.34 -0.26 -0.25 0.45 -0.05 0.00 0.00 175.22 175.45 2nu5 s SER 16 N -3.09 3.04 0.54 1.98 0.15 -1.26 -5.03 113.70 110.03 2nu5 s SER 16 Ca 0.19 -0.61 0.28 0.00 0.70 0.00 0.00 55.95 56.51 2nu5 s SER 16 Cb 0.06 -0.26 1.54 0.00 -1.71 0.00 0.00 66.02 65.66 2nu5 s SER 16 CO -0.00 0.22 2.12 1.23 1.20 0.00 0.00 173.24 178.01 2nu5 h GLY 17 N 4.63 0.00 -7.18 9.45 0.00 -2.02 -3.39 103.07 104.55 2nu5 h GLY 17 Ca -0.46 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.21 2nu5 h GLY 17 CO 0.43 0.00 0.04 -2.27 0.00 0.00 0.00 176.54 174.74 2nu5 s LEU 18 N -7.39 4.52 -0.10 3.11 2.96 -1.26 -4.90 118.68 115.62 2nu5 s LEU 18 Ca -0.03 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2nu5 s LEU 18 Cb 0.14 -2.65 -0.08 0.00 0.50 0.00 0.00 46.19 44.10 2nu5 s LEU 18 CO 0.58 -0.68 -0.07 -0.24 -1.32 0.00 0.00 176.35 174.61 2nu5 n SER 19 N 6.04 3.12 -3.77 3.68 2.88 -1.26 -4.83 113.62 119.48 2nu5 n SER 19 Ca -0.03 -0.05 -0.11 0.00 -1.33 0.00 0.00 58.87 57.35 2nu5 n SER 19 Cb 0.48 -0.02 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 2nu5 n SER 19 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2nu5 s SER 20 N -4.88 -0.09 -0.01 -3.46 1.04 -1.26 -1.69 113.70 103.35 2nu5 s SER 20 Ca -0.13 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2nu5 s SER 20 Cb 0.04 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2nu5 s SER 20 CO 0.27 -0.64 0.02 -0.63 0.98 0.00 0.00 173.24 173.23 2nu5 s ILE 21 N -2.83 -0.02 0.21 -1.02 -1.09 0.29 -0.98 121.20 115.75 2nu5 s ILE 21 Ca -0.03 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2nu5 s ILE 21 Cb 0.00 -0.07 -0.05 0.00 -1.58 0.00 0.00 42.46 40.77 2nu5 s ILE 21 CO -0.05 0.06 0.09 0.00 -1.23 0.00 0.00 174.94 173.81 2nu5 s ALA 22 N 0.71 1.37 0.10 9.38 0.00 -0.54 -0.20 121.76 132.57 2nu5 s ALA 22 Ca -0.06 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.20 2nu5 s ALA 22 Cb -0.09 1.05 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 2nu5 s ALA 22 CO -0.02 -0.48 -0.06 0.14 0.00 0.00 0.00 175.76 175.34 2nu5 s VAL 23 N -3.91 0.64 -0.13 0.00 -7.23 -1.26 -0.19 120.40 108.32 2nu5 s VAL 23 Ca 0.34 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2nu5 s VAL 23 Cb 0.07 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 2nu5 s VAL 23 CO 0.10 -0.87 0.02 -0.13 -0.31 0.00 0.00 175.10 173.91 2nu5 s ARG 24 N -3.85 3.47 0.02 4.82 0.52 -0.40 -0.30 118.95 123.23 2nu5 s ARG 24 Ca 0.12 -0.40 -0.10 0.00 -0.52 0.00 0.00 55.73 54.83 2nu5 s ARG 24 Cb 0.06 -2.97 0.01 0.00 0.52 0.00 0.00 34.95 32.56 2nu5 s ARG 24 CO -0.05 0.47 0.21 -1.54 0.02 0.00 0.00 175.30 174.41 2nu5 s SER 25 N -0.23 -0.01 0.00 0.23 1.04 -0.26 -0.25 113.70 114.21 2nu5 s SER 25 Ca 0.06 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2nu5 s SER 25 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2nu5 s SER 25 CO 0.02 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2nu5 n GLY 26 N 0.92 2.70 0.16 7.32 0.00 -1.26 -0.87 105.19 114.16 2nu5 n GLY 26 Ca -0.20 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.51 2nu5 n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nu5 h SER 27 N 0.00 0.00 -1.31 1.61 4.64 -1.91 -3.25 113.55 113.34 2nu5 h SER 27 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 2nu5 h SER 27 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2nu5 h SER 27 CO 0.00 0.50 -0.54 -0.31 -0.87 0.00 0.00 176.83 175.61 2nu5 s TYR 28 N -3.35 1.97 -0.48 4.77 2.02 -1.26 -1.50 117.35 119.51 2nu5 s TYR 28 Ca 0.01 -0.97 -0.26 0.00 -0.37 0.00 0.00 57.07 55.48 2nu5 s TYR 28 Cb 0.10 -1.53 0.03 0.00 -0.40 0.00 0.00 41.96 40.16 2nu5 s TYR 28 CO 0.72 0.15 0.95 -0.51 -1.57 0.00 0.00 175.55 175.30 2nu5 s LEU 29 N -3.77 3.97 0.28 -1.29 1.02 0.24 -4.35 118.68 114.77 2nu5 s LEU 29 Ca 0.16 0.07 0.06 0.00 0.02 0.00 0.00 54.13 54.44 2nu5 s LEU 29 Cb 0.04 -3.17 0.42 0.00 0.02 0.00 0.00 46.19 43.50 2nu5 s LEU 29 CO 0.09 -1.11 1.67 0.44 0.02 0.00 0.00 176.35 177.46 2nu5 h ASP 30 N 9.15 0.25 -4.95 2.29 5.19 -0.92 -0.27 116.42 127.15 2nu5 h ASP 30 Ca -0.24 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 2nu5 h ASP 30 Cb 1.07 -0.07 -0.15 0.00 0.18 0.00 0.00 39.33 40.36 2nu5 h ASP 30 CO 1.05 0.67 0.23 0.00 -3.12 0.00 0.00 179.24 178.07 2nu5 s ALA 31 N -4.07 -1.68 -0.03 3.45 0.00 -1.00 -0.89 121.76 117.53 2nu5 s ALA 31 Ca -0.04 0.85 0.07 0.00 0.00 0.00 0.00 51.96 52.84 2nu5 s ALA 31 Cb 0.13 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 2nu5 s ALA 31 CO 0.78 -0.61 -0.25 -1.50 0.00 0.00 0.00 175.76 174.18 2nu5 s ILE 32 N -2.71 1.99 -0.28 0.00 2.07 -0.22 -1.28 121.20 120.78 2nu5 s ILE 32 Ca -0.03 -1.07 -0.01 0.00 -1.41 0.00 0.00 60.65 58.13 2nu5 s ILE 32 Cb -0.01 -1.66 0.05 0.00 0.13 0.00 0.00 42.46 40.97 2nu5 s ILE 32 CO -0.04 0.56 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.88 2nu5 s ILE 33 N -0.49 2.76 -0.21 2.00 1.09 0.74 -0.81 121.20 126.28 2nu5 s ILE 33 Ca 0.07 -1.34 -0.03 0.00 -1.10 0.00 0.00 60.65 58.25 2nu5 s ILE 33 Cb -0.11 -2.54 -0.00 0.00 -1.06 0.00 0.00 42.46 38.75 2nu5 s ILE 33 CO 0.00 0.00 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.13 2nu5 s ILE 34 N 1.24 3.13 -1.67 2.92 1.01 -0.32 -1.47 121.20 126.04 2nu5 s ILE 34 Ca -0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 2nu5 s ILE 34 Cb -0.19 -2.40 0.15 0.00 0.01 0.00 0.00 42.46 40.03 2nu5 s ILE 34 CO -0.03 0.45 0.83 0.47 0.00 0.00 0.00 174.94 176.66 2nu5 n ASP 35 N 4.66 -3.69 0.00 3.58 8.00 -0.15 -1.09 116.55 127.87 2nu5 n ASP 35 Ca -0.19 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.36 2nu5 n ASP 35 Cb 0.51 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.61 2nu5 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nu5 n GLY 36 N -1.44 0.88 3.62 0.44 0.00 -1.26 -4.99 105.19 102.42 2nu5 n GLY 36 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2nu5 n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nu5 s VAL 37 N -3.48 5.30 -0.10 1.61 1.01 -0.25 -5.05 120.40 119.44 2nu5 s VAL 37 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2nu5 s VAL 37 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2nu5 s VAL 37 CO 0.00 0.26 1.00 -2.28 0.00 0.00 0.00 175.10 174.08 2nu5 s HIS 38 N 1.60 3.52 -0.21 5.22 2.46 -1.26 -1.17 115.29 125.44 2nu5 s HIS 38 Ca 0.09 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.21 2nu5 s HIS 38 Cb -0.15 -3.18 0.05 0.00 -0.13 0.00 0.00 32.58 29.17 2nu5 s HIS 38 CO 0.09 -0.22 -0.06 -1.01 -2.47 0.00 0.00 174.74 171.08 2nu5 s HIS 39 N 1.98 2.11 -2.44 3.88 3.76 0.01 -5.01 115.29 119.58 2nu5 s HIS 39 Ca 0.48 -1.48 0.00 0.00 -0.15 0.00 0.00 55.06 53.91 2nu5 s HIS 39 Cb -0.18 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2nu5 s HIS 39 CO 0.18 -0.72 0.00 0.41 -0.85 0.00 0.00 174.74 173.77 2nu5 n GLY 40 N 4.76 0.71 0.00 -2.22 0.00 -1.26 -1.05 105.19 106.12 2nu5 n GLY 40 Ca -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2nu5 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 41 N 0.00 1.31 0.26 -0.02 0.00 -0.07 -4.83 105.19 101.83 2nu5 n GLY 41 Ca 0.00 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 44.09 2nu5 n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nu5 n SER 42 N -1.96 1.35 -3.51 1.61 3.41 -1.26 -4.61 113.62 108.64 2nu5 n SER 42 Ca 0.00 -1.17 -0.28 0.00 -0.26 0.00 0.00 58.87 57.16 2nu5 n SER 42 Cb 0.00 0.61 0.23 0.00 -0.26 0.00 0.00 64.21 64.79 2nu5 n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nu5 n GLY 43 N 1.18 -2.66 4.73 5.00 0.00 -1.26 -4.94 105.19 107.24 2nu5 n GLY 43 Ca 0.05 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.63 2nu5 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 44 N -4.25 -1.48 3.61 -0.02 0.00 -1.26 -4.54 105.19 97.25 2nu5 n GLY 44 Ca 0.14 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2nu5 n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nu5 s ASN 45 N -4.85 4.61 -0.08 1.61 -0.87 -0.05 -4.73 114.94 110.58 2nu5 s ASN 45 Ca 0.00 -0.25 -0.29 0.00 -1.57 0.00 0.00 52.86 50.75 2nu5 s ASN 45 Cb 0.00 -1.00 -0.02 0.00 -0.02 0.00 0.00 41.25 40.21 2nu5 s ASN 45 CO 0.00 0.22 0.96 -0.22 -2.57 0.00 0.00 177.10 175.49 2nu5 s LEU 46 N -1.92 4.27 0.74 0.60 2.96 -1.26 -1.10 118.68 122.97 2nu5 s LEU 46 Ca 0.21 1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 55.50 2nu5 s LEU 46 Cb -0.11 -3.49 0.04 0.00 0.50 0.00 0.00 46.19 43.13 2nu5 s LEU 46 CO 0.12 -0.37 1.11 -0.94 -1.32 0.00 0.00 176.35 174.95 2nu5 s SER 47 N 1.06 5.02 0.82 3.68 1.04 0.59 -5.00 113.70 120.91 2nu5 s SER 47 Ca 0.47 0.91 -0.12 0.00 0.48 0.00 0.00 55.95 57.69 2nu5 s SER 47 Cb -0.19 -1.58 0.09 0.00 0.10 0.00 0.00 66.02 64.44 2nu5 s SER 47 CO 0.20 -1.57 1.16 -2.16 0.98 0.00 0.00 173.24 171.85 2nu5 s PRO 48 N -5.42 1.61 -0.05 4.02 0.04 -1.26 -4.66 135.00 129.29 2nu5 s PRO 48 Ca 0.60 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.98 2nu5 s PRO 48 Cb -0.11 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2nu5 s PRO 48 CO 0.50 -2.20 0.72 0.99 0.04 0.00 0.00 177.00 177.05 2nu5 s THR 49 N -2.42 5.01 -0.19 1.26 2.01 -1.26 -4.55 115.64 115.49 2nu5 s THR 49 Ca 0.69 1.50 -0.13 0.00 0.31 0.00 0.00 61.69 64.06 2nu5 s THR 49 Cb -0.25 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 2nu5 s THR 49 CO 0.53 0.26 0.28 0.12 -0.69 0.00 0.00 174.62 175.12 2nu5 s PHE 50 N 0.72 3.41 -0.14 4.92 2.19 0.72 -4.95 117.98 124.85 2nu5 s PHE 50 Ca 0.39 0.51 0.02 0.00 0.33 0.00 0.00 56.93 58.18 2nu5 s PHE 50 Cb -0.18 -2.37 0.01 0.00 -1.31 0.00 0.00 43.02 39.17 2nu5 s PHE 50 CO 0.19 0.14 -0.21 0.99 1.83 0.00 0.00 175.22 178.16 2nu5 s THR 51 N 0.80 2.02 0.31 0.12 2.01 -1.26 -0.55 115.64 119.09 2nu5 s THR 51 Ca 0.15 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 2nu5 s THR 51 Cb -0.13 -1.79 -0.10 0.00 0.01 0.00 0.00 72.50 70.48 2nu5 s THR 51 CO 0.05 0.54 1.22 -0.36 -0.69 0.00 0.00 174.62 175.37 2nu5 s PHE 52 N 0.86 3.28 0.67 4.92 0.08 -0.68 -5.03 117.98 122.08 2nu5 s PHE 52 Ca -0.06 1.54 -0.08 0.00 0.12 0.00 0.00 56.93 58.45 2nu5 s PHE 52 Cb -0.15 -3.51 0.15 0.00 -0.57 0.00 0.00 43.02 38.94 2nu5 s PHE 52 CO -0.03 -1.29 0.91 0.41 -0.10 0.00 0.00 175.22 175.12 2nu5 n GLY 53 N 0.97 -0.60 3.72 4.36 0.00 -1.26 -4.98 105.19 107.40 2nu5 n GLY 53 Ca -0.01 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2nu5 n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nu5 s SER 54 N -4.44 6.39 0.00 1.61 0.15 -1.26 -2.46 113.70 113.70 2nu5 s SER 54 Ca 0.54 2.86 0.00 0.00 0.70 0.00 0.00 55.95 60.05 2nu5 s SER 54 Cb -0.02 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2nu5 s SER 54 CO 0.37 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.46 2nu5 n GLY 55 N 3.78 0.68 3.85 9.45 0.00 -1.26 -4.99 105.19 116.70 2nu5 n GLY 55 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2nu5 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nu5 s GLU 56 N -0.19 3.62 0.13 1.61 2.12 -1.03 -4.96 118.70 120.00 2nu5 s GLU 56 Ca 0.00 -0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.09 2nu5 s GLU 56 Cb 0.00 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.17 2nu5 s GLU 56 CO 0.00 0.68 0.33 1.52 -0.54 0.00 0.00 175.26 177.25 2nu5 s TYR 57 N -0.75 -0.00 -0.03 5.30 -0.85 -1.26 -4.70 117.35 115.05 2nu5 s TYR 57 Ca 0.14 -0.36 -0.30 0.00 -0.52 0.00 0.00 57.07 56.03 2nu5 s TYR 57 Cb -0.12 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.30 2nu5 s TYR 57 CO 0.03 -0.68 1.42 0.42 -1.52 0.00 0.00 175.55 175.22 2nu5 s ILE 58 N -3.85 3.79 -0.19 -3.49 1.01 -1.26 -1.66 121.20 115.55 2nu5 s ILE 58 Ca 0.06 1.11 0.11 0.00 0.00 0.00 0.00 60.65 61.94 2nu5 s ILE 58 Cb 0.03 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.62 2nu5 s ILE 58 CO -0.09 -0.03 0.33 -1.54 0.00 0.00 0.00 174.94 173.60 2nu5 n SER 59 N 5.83 1.75 -3.80 3.58 3.41 -0.07 -1.50 113.62 122.81 2nu5 n SER 59 Ca 0.14 -0.26 -0.13 0.00 -0.26 0.00 0.00 58.87 58.37 2nu5 n SER 59 Cb 0.44 1.35 -0.12 0.00 -0.26 0.00 0.00 64.21 65.62 2nu5 n SER 59 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2nu5 s ASN 60 N -2.91 -0.22 -0.12 4.04 0.01 -1.02 -1.86 114.94 112.86 2nu5 s ASN 60 Ca -0.01 0.43 -0.10 0.00 -0.71 0.00 0.00 52.86 52.46 2nu5 s ASN 60 Cb 0.08 0.43 0.04 0.00 0.41 0.00 0.00 41.25 42.20 2nu5 s ASN 60 CO 0.47 -0.08 0.32 -0.32 -1.51 0.00 0.00 177.10 175.99 2nu5 s MET 61 N 0.14 0.35 -0.15 -0.60 1.75 -0.10 -1.07 119.30 119.62 2nu5 s MET 61 Ca -0.00 0.50 0.02 0.00 -1.25 0.00 0.00 55.69 54.96 2nu5 s MET 61 Cb -0.02 0.10 0.01 0.00 2.84 0.00 0.00 34.83 37.77 2nu5 s MET 61 CO 0.00 -0.08 -0.20 0.99 -0.65 0.00 0.00 175.02 175.08 2nu5 s THR 62 N 0.52 1.96 -0.14 10.11 2.01 -0.41 -0.35 115.64 129.33 2nu5 s THR 62 Ca -0.03 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2nu5 s THR 62 Cb -0.04 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.73 2nu5 s THR 62 CO -0.03 0.53 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.59 2nu5 s ILE 63 N 1.01 2.03 -0.12 1.82 1.01 0.33 -1.24 121.20 126.04 2nu5 s ILE 63 Ca -0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 2nu5 s ILE 63 Cb -0.15 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 2nu5 s ILE 63 CO -0.06 0.54 0.27 -0.13 0.00 0.00 0.00 174.94 175.56 2nu5 s ARG 64 N 0.89 3.99 0.11 2.79 0.52 -0.08 -1.01 118.95 126.16 2nu5 s ARG 64 Ca -0.05 0.08 -0.16 0.00 -0.52 0.00 0.00 55.73 55.07 2nu5 s ARG 64 Cb -0.15 -3.33 0.03 0.00 0.52 0.00 0.00 34.95 32.03 2nu5 s ARG 64 CO -0.03 0.46 0.40 -1.54 0.02 0.00 0.00 175.30 174.61 2nu5 s SER 65 N -0.21 -0.24 0.00 0.23 1.04 -0.45 -0.32 113.70 113.75 2nu5 s SER 65 Ca 0.17 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2nu5 s SER 65 Cb -0.13 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2nu5 s SER 65 CO 0.05 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2nu5 n GLY 66 N -0.06 2.99 0.19 7.32 0.00 -1.26 -1.49 105.19 112.87 2nu5 n GLY 66 Ca -0.17 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.66 2nu5 n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nu5 h ASP 67 N 0.00 0.00 -4.94 1.61 3.32 -2.00 -3.46 116.42 110.95 2nu5 h ASP 67 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2nu5 h ASP 67 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.43 2nu5 h ASP 67 CO 0.00 0.37 -0.47 -1.22 -1.72 0.00 0.00 179.24 176.20 2nu5 n TYR 68 N -3.89 0.42 -2.94 4.55 4.01 -1.26 -4.78 117.16 113.27 2nu5 n TYR 68 Ca -0.01 -2.60 -0.42 0.00 -0.16 0.00 0.00 57.90 54.71 2nu5 n TYR 68 Cb 0.43 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 39.31 2nu5 n TYR 68 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2nu5 s ILE 69 N -3.02 4.78 0.08 -0.72 -1.09 -0.08 -4.41 121.20 116.74 2nu5 s ILE 69 Ca 0.15 1.15 0.07 0.00 -2.23 0.00 0.00 60.65 59.79 2nu5 s ILE 69 Cb 0.01 -4.16 -0.22 0.00 -1.58 0.00 0.00 42.46 36.51 2nu5 s ILE 69 CO 0.11 -0.27 1.15 0.44 -1.23 0.00 0.00 174.94 175.13 2nu5 h ASP 70 N 8.16 0.05 -3.85 3.58 5.19 -0.98 0.70 116.42 129.27 2nu5 h ASP 70 Ca -0.24 -0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.14 2nu5 h ASP 70 Cb 1.10 -0.02 -0.23 0.00 0.18 0.00 0.00 39.33 40.36 2nu5 h ASP 70 CO 0.89 1.05 0.39 0.21 -3.12 0.00 0.00 179.24 178.66 2nu5 s ASN 71 N -6.65 -0.51 0.01 6.45 3.84 -1.06 -0.86 114.94 116.16 2nu5 s ASN 71 Ca -0.01 0.81 0.02 0.00 0.21 0.00 0.00 52.86 53.89 2nu5 s ASN 71 Cb 0.09 0.76 -0.01 0.00 -0.55 0.00 0.00 41.25 41.55 2nu5 s ASN 71 CO 0.83 -0.29 -0.07 -0.51 -2.79 0.00 0.00 177.10 174.27 2nu5 s ILE 72 N -0.33 0.54 0.04 -5.21 2.07 -0.49 -0.90 121.20 116.92 2nu5 s ILE 72 Ca -0.01 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 2nu5 s ILE 72 Cb -0.03 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 2nu5 s ILE 72 CO -0.01 0.04 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.08 2nu5 s SER 73 N -0.45 0.52 0.20 4.50 1.04 -0.38 -1.53 113.70 117.59 2nu5 s SER 73 Ca 0.00 -0.70 -0.13 0.00 0.48 0.00 0.00 55.95 55.61 2nu5 s SER 73 Cb -0.04 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.20 2nu5 s SER 73 CO -0.00 -0.38 0.42 0.72 0.98 0.00 0.00 173.24 174.98 2nu5 s PHE 74 N -2.33 0.21 0.01 5.02 -0.12 0.07 -1.29 117.98 119.55 2nu5 s PHE 74 Ca -0.06 -0.57 0.03 0.00 -0.05 0.00 0.00 56.93 56.29 2nu5 s PHE 74 Cb -0.04 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 2nu5 s PHE 74 CO -0.04 -0.87 -0.11 -2.00 -0.05 0.00 0.00 175.22 172.16 2nu5 s GLU 75 N -3.95 0.80 0.43 1.99 2.12 -0.23 -1.12 118.70 118.74 2nu5 s GLU 75 Ca 0.16 -0.48 0.07 0.00 0.36 0.00 0.00 54.97 55.08 2nu5 s GLU 75 Cb 0.01 -0.77 0.01 0.00 0.26 0.00 0.00 34.13 33.64 2nu5 s GLU 75 CO 0.02 0.20 0.59 0.95 -0.54 0.00 0.00 175.26 176.48 2nu5 s THR 76 N -0.47 3.04 0.35 -1.70 -4.23 0.28 -0.90 115.64 112.02 2nu5 s THR 76 Ca 0.02 -0.95 0.39 0.00 -1.18 0.00 0.00 61.69 59.97 2nu5 s THR 76 Cb -0.05 -3.04 0.41 0.00 1.34 0.00 0.00 72.50 71.17 2nu5 s THR 76 CO 0.00 -0.02 2.16 -0.55 -0.54 0.00 0.00 174.62 175.67 2nu5 h ASN 77 N 0.57 0.00 -0.29 3.99 -1.07 -1.65 0.56 115.58 117.68 2nu5 h ASN 77 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.96 2nu5 h ASN 77 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 2nu5 h ASN 77 CO 0.47 0.00 0.00 0.23 0.07 0.00 0.00 177.43 178.20 2nu5 n MET 78 N -3.04 1.84 -1.01 4.14 2.81 -1.26 -4.95 117.12 115.64 2nu5 n MET 78 Ca -0.01 -1.28 -0.00 0.00 -1.81 0.00 0.00 57.70 54.59 2nu5 n MET 78 Cb 0.19 -1.34 -0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2nu5 n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2nu5 n GLY 79 N 1.13 0.47 3.87 3.03 0.00 0.19 -5.04 105.19 108.83 2nu5 n GLY 79 Ca 0.14 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2nu5 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nu5 s ARG 80 N -1.01 3.86 0.11 1.61 0.52 -1.26 -4.84 118.95 117.93 2nu5 s ARG 80 Ca 0.00 0.46 0.08 0.00 -0.52 0.00 0.00 55.73 55.75 2nu5 s ARG 80 Cb 0.00 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2nu5 s ARG 80 CO 0.00 0.14 -0.20 1.03 0.02 0.00 0.00 175.30 176.29 2nu5 s ARG 81 N -3.26 1.13 -0.07 3.54 0.52 -1.26 -0.56 118.95 118.99 2nu5 s ARG 81 Ca 0.51 -1.20 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 2nu5 s ARG 81 Cb -0.10 -1.34 0.02 0.00 0.52 0.00 0.00 34.95 34.04 2nu5 s ARG 81 CO 0.24 0.30 -0.08 0.12 0.02 0.00 0.00 175.30 175.90 2nu5 s PHE 82 N -1.34 1.20 0.00 -0.53 5.36 -0.28 -4.99 117.98 117.40 2nu5 s PHE 82 Ca 0.08 -0.46 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2nu5 s PHE 82 Cb -0.09 -0.97 0.00 0.00 -0.34 0.00 0.00 43.02 41.62 2nu5 s PHE 82 CO 0.05 -0.31 0.00 0.41 -1.46 0.00 0.00 175.22 173.90 2nu5 n GLY 83 N 4.24 -1.96 3.77 13.12 0.00 -1.26 -0.75 105.19 122.34 2nu5 n GLY 83 Ca -0.20 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 2nu5 n GLY 83 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nu5 s PRO 84 N 0.00 4.23 -0.03 1.61 0.02 -1.26 -4.86 135.00 134.71 2nu5 s PRO 84 Ca 0.00 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.16 2nu5 s PRO 84 Cb 0.00 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.58 2nu5 s PRO 84 CO 0.00 -0.25 -0.16 0.71 -0.33 0.00 0.00 177.00 176.97 2nu5 s TYR 85 N -1.22 1.52 -0.45 6.54 2.02 -0.58 -5.00 117.35 120.17 2nu5 s TYR 85 Ca 0.52 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 2nu5 s TYR 85 Cb -0.37 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.19 2nu5 s TYR 85 CO 0.48 -0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.78 2nu5 n GLY 86 N 2.93 0.41 0.00 0.71 0.00 -1.26 -1.40 105.19 106.58 2nu5 n GLY 86 Ca -0.16 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2nu5 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 87 N 0.00 5.31 0.51 -0.02 0.00 -0.04 -4.77 105.19 106.18 2nu5 n GLY 87 Ca 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 46.02 43.95 2nu5 n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nu5 n SER 88 N -0.71 2.89 -3.38 1.61 3.41 -1.26 -4.51 113.62 111.67 2nu5 n SER 88 Ca 0.00 -2.31 -0.22 0.00 -0.26 0.00 0.00 58.87 56.08 2nu5 n SER 88 Cb 0.00 -0.27 0.16 0.00 -0.26 0.00 0.00 64.21 63.85 2nu5 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nu5 n GLY 89 N -0.09 -1.80 7.00 5.00 0.00 -1.26 -4.91 105.19 109.13 2nu5 n GLY 89 Ca 0.12 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2nu5 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nu5 n GLY 90 N -1.95 0.49 3.11 -0.02 0.00 -1.26 -4.53 105.19 101.02 2nu5 n GLY 90 Ca 0.12 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2nu5 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nu5 s SER 91 N -4.00 0.99 0.23 1.61 1.04 -0.56 -4.84 113.70 108.17 2nu5 s SER 91 Ca 0.00 -0.73 -0.21 0.00 0.48 0.00 0.00 55.95 55.49 2nu5 s SER 91 Cb 0.00 0.06 -0.08 0.00 0.10 0.00 0.00 66.02 66.09 2nu5 s SER 91 CO 0.00 -0.30 0.77 0.00 0.98 0.00 0.00 173.24 174.69 2nu5 s ALA 92 N -2.26 3.38 -0.03 5.32 0.00 -1.26 -1.34 121.76 125.57 2nu5 s ALA 92 Ca -0.01 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.22 2nu5 s ALA 92 Cb -0.04 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.19 2nu5 s ALA 92 CO -0.02 0.30 -0.08 -0.80 0.00 0.00 0.00 175.76 175.16 2nu5 s ASN 93 N -1.59 1.20 -0.04 0.00 0.01 -0.18 -4.99 114.94 109.34 2nu5 s ASN 93 Ca 0.43 -0.18 0.06 0.00 -0.71 0.00 0.00 52.86 52.46 2nu5 s ASN 93 Cb -0.18 -0.38 -0.01 0.00 0.41 0.00 0.00 41.25 41.09 2nu5 s ASN 93 CO 0.22 0.04 -0.23 -0.89 -1.51 0.00 0.00 177.10 174.73 2nu5 s THR 94 N 0.34 1.89 -0.16 1.60 2.01 -1.26 -0.51 115.64 119.55 2nu5 s THR 94 Ca -0.06 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 2nu5 s THR 94 Cb -0.10 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2nu5 s THR 94 CO 0.01 0.53 0.09 -0.76 -0.69 0.00 0.00 174.62 173.80 2nu5 s LEU 95 N -0.23 4.03 0.06 4.42 1.43 0.52 -4.97 118.68 123.94 2nu5 s LEU 95 Ca -0.00 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 2nu5 s LEU 95 Cb -0.12 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2nu5 s LEU 95 CO 0.02 0.25 -0.08 -0.94 0.23 0.00 0.00 176.35 175.83 2nu5 s SER 96 N -0.06 0.99 -1.24 2.29 1.04 -1.26 -0.92 113.70 114.54 2nu5 s SER 96 Ca 0.08 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 55.77 2nu5 s SER 96 Cb -0.12 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2nu5 s SER 96 CO 0.01 -0.28 0.76 0.59 0.98 0.00 0.00 173.24 175.29 2nu5 n ASN 97 N 0.98 -2.47 -4.58 7.02 3.02 -0.94 -4.76 115.26 113.53 2nu5 n ASN 97 Ca -0.19 -0.82 -0.28 0.00 -0.03 0.00 0.00 54.58 53.25 2nu5 n ASN 97 Cb 0.57 -4.16 -0.10 0.00 -0.61 0.00 0.00 39.78 35.48 2nu5 n ASN 97 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2nu5 s VAL 98 N -3.59 1.46 -0.21 2.41 -7.23 -0.78 -1.28 120.40 111.19 2nu5 s VAL 98 Ca 0.13 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2nu5 s VAL 98 Cb -0.03 -2.65 0.06 0.00 0.56 0.00 0.00 36.38 34.32 2nu5 s VAL 98 CO 0.81 0.00 -0.01 -0.75 -0.31 0.00 0.00 175.10 174.84 2nu5 s LYS 99 N -3.79 1.09 0.01 4.82 2.20 -0.04 -4.12 119.74 119.92 2nu5 s LYS 99 Ca 0.26 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 2nu5 s LYS 99 Cb 0.07 -2.29 -0.06 0.00 -1.51 0.00 0.00 37.83 34.04 2nu5 s LYS 99 CO 0.13 -0.61 1.37 0.08 -0.36 0.00 0.00 175.35 175.97 2nu5 s VAL 100 N 1.66 3.73 -0.23 4.02 1.01 -0.56 -1.01 120.40 129.02 2nu5 s VAL 100 Ca -0.03 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 2nu5 s VAL 100 Cb -0.18 -3.73 -0.18 0.00 0.00 0.00 0.00 36.38 32.29 2nu5 s VAL 100 CO -0.07 0.01 -0.09 -0.38 0.00 0.00 0.00 175.10 174.57 2nu5 n ILE 101 N 4.56 1.56 -3.63 2.22 5.41 0.93 -4.59 119.36 125.82 2nu5 n ILE 101 Ca 0.13 -0.52 -0.14 0.00 1.00 0.00 0.00 62.75 63.22 2nu5 n ILE 101 Cb 0.44 -1.61 -0.06 0.00 -0.71 0.00 0.00 39.64 37.70 2nu5 n ILE 101 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2nu5 s GLN 102 N -2.52 0.94 -0.23 0.38 2.00 -0.93 -4.67 119.66 114.64 2nu5 s GLN 102 Ca -0.33 -0.24 0.01 0.00 -2.00 0.00 0.00 55.36 52.81 2nu5 s GLN 102 Cb 0.09 0.43 0.05 0.00 0.80 0.00 0.00 33.01 34.38 2nu5 s GLN 102 CO 0.62 -0.32 -0.10 0.42 -0.50 0.00 0.00 175.29 175.41 2nu5 s ILE 103 N -2.20 1.80 0.57 -2.34 1.01 -1.26 -0.97 121.20 117.81 2nu5 s ILE 103 Ca -0.07 -1.26 0.06 0.00 0.00 0.00 0.00 60.65 59.38 2nu5 s ILE 103 Cb -0.01 -1.92 0.06 0.00 0.01 0.00 0.00 42.46 40.59 2nu5 s ILE 103 CO -0.00 0.06 0.47 0.20 0.00 0.00 0.00 174.94 175.67 2nu5 s ASN 104 N 1.30 4.65 0.00 3.58 0.01 -0.14 -4.98 114.94 119.35 2nu5 s ASN 104 Ca -0.04 -1.26 0.00 0.00 -0.71 0.00 0.00 52.86 50.84 2nu5 s ASN 104 Cb -0.18 0.56 0.00 0.00 0.41 0.00 0.00 41.25 42.04 2nu5 s ASN 104 CO -0.07 -1.22 0.00 0.61 -1.51 0.00 0.00 177.10 174.91 2nu5 n GLY 105 N -1.88 -0.82 2.91 0.66 0.00 -1.26 -0.30 105.19 104.50 2nu5 n GLY 105 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2nu5 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nu5 s SER 106 N -4.00 0.22 0.02 1.61 1.04 -0.66 -4.87 113.70 107.06 2nu5 s SER 106 Ca 0.00 -0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.27 2nu5 s SER 106 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2nu5 s SER 106 CO 0.00 -0.00 0.17 0.00 0.98 0.00 0.00 173.24 174.38 2nu5 s ALA 107 N -0.16 -0.34 0.00 5.32 0.00 -1.26 -0.96 121.76 124.35 2nu5 s ALA 107 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2nu5 s ALA 107 Cb -0.01 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2nu5 s ALA 107 CO -0.00 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2nu5 n GLY 108 N 1.09 2.82 0.20 0.00 0.00 -1.26 -4.88 105.19 103.16 2nu5 n GLY 108 Ca -0.21 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.63 2nu5 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nu5 h ASP 109 N 0.00 0.00 -4.04 1.61 3.32 -1.90 -3.07 116.42 112.35 2nu5 h ASP 109 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2nu5 h ASP 109 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2nu5 h ASP 109 CO 0.00 0.00 -0.54 -0.31 -1.72 0.00 0.00 179.24 176.67 2nu5 s TYR 110 N -3.30 1.72 -0.60 4.55 2.02 -1.26 -2.44 117.35 118.05 2nu5 s TYR 110 Ca 0.06 -1.32 -0.25 0.00 -0.37 0.00 0.00 57.07 55.19 2nu5 s TYR 110 Cb 0.08 -1.01 0.04 0.00 -0.40 0.00 0.00 41.96 40.67 2nu5 s TYR 110 CO 0.60 -0.41 1.02 -1.17 -1.57 0.00 0.00 175.55 174.03 2nu5 s LEU 111 N -3.48 3.94 0.09 -1.29 2.96 -0.11 -4.44 118.68 116.34 2nu5 s LEU 111 Ca 0.31 -0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 2nu5 s LEU 111 Cb 0.04 -2.78 -0.09 0.00 0.50 0.00 0.00 46.19 43.86 2nu5 s LEU 111 CO 0.17 -1.38 1.43 0.44 -1.32 0.00 0.00 176.35 175.70 2nu5 h ASP 112 N 9.48 0.63 -5.05 3.68 5.19 -1.36 -0.18 116.42 128.80 2nu5 h ASP 112 Ca -0.27 -0.44 -0.05 0.00 -0.62 0.00 0.00 57.03 55.65 2nu5 h ASP 112 Cb 1.07 -0.18 -0.14 0.00 0.18 0.00 0.00 39.33 40.26 2nu5 h ASP 112 CO 1.14 0.93 -0.04 -0.94 -3.12 0.00 0.00 179.24 177.22 2nu5 s SER 113 N -6.35 -0.30 -0.04 6.45 1.04 -0.97 -3.44 113.70 110.09 2nu5 s SER 113 Ca -0.13 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.19 2nu5 s SER 113 Cb 0.08 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 2nu5 s SER 113 CO 0.80 -0.81 -0.20 -0.76 0.98 0.00 0.00 173.24 173.25 2nu5 s LEU 114 N -2.55 1.98 -0.36 2.42 1.43 -1.26 -1.65 118.68 118.69 2nu5 s LEU 114 Ca 0.00 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2nu5 s LEU 114 Cb 0.01 -1.11 0.08 0.00 0.03 0.00 0.00 46.19 45.21 2nu5 s LEU 114 CO -0.09 0.20 0.11 -1.81 0.23 0.00 0.00 176.35 174.99 2nu5 s ASP 115 N -0.10 5.09 -0.20 2.29 1.01 0.60 -4.91 116.67 120.45 2nu5 s ASP 115 Ca -0.02 -1.71 -0.13 0.00 0.71 0.00 0.00 52.55 51.41 2nu5 s ASP 115 Cb -0.12 -1.78 -0.05 0.00 1.01 0.00 0.00 42.92 41.99 2nu5 s ASP 115 CO 0.02 -0.42 0.26 -0.63 0.21 0.00 0.00 175.17 174.62 2nu5 s ILE 116 N 1.18 5.30 -0.19 0.77 -1.09 -1.26 -0.97 121.20 124.95 2nu5 s ILE 116 Ca 0.03 0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 58.83 2nu5 s ILE 116 Cb -0.21 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 2nu5 s ILE 116 CO -0.03 0.34 0.01 -0.31 -1.23 0.00 0.00 174.94 173.72 2nu5 s TYR 117 N 0.90 3.09 0.19 3.97 1.51 -0.15 -5.02 117.35 121.85 2nu5 s TYR 117 Ca 0.13 -0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 55.72 2nu5 s TYR 117 Cb -0.13 -2.06 0.04 0.00 -0.11 0.00 0.00 41.96 39.69 2nu5 s TYR 117 CO 0.05 -0.10 0.57 1.52 -1.11 0.00 0.00 175.55 176.48 2nu5 s TYR 118 N 0.73 -0.25 -0.16 2.71 1.13 -1.26 -0.05 117.35 120.19 2nu5 s TYR 118 Ca 0.01 -0.07 -0.12 0.00 -1.41 0.00 0.00 57.07 55.48 2nu5 s TYR 118 Cb -0.14 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 2nu5 s TYR 118 CO 0.02 -0.94 0.22 -2.00 -2.51 0.00 0.00 175.55 170.34 2nu5 s GLU 119 N -3.84 4.11 -0.30 -3.49 2.12 -0.18 -4.93 118.70 112.19 2nu5 s GLU 119 Ca 0.07 -0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.27 2nu5 s GLU 119 Cb -0.02 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2nu5 s GLU 119 CO -0.05 0.35 0.13 -1.14 -0.54 0.00 0.00 175.26 174.02 2nu5 s GLN 120 N 0.17 3.34 0.00 4.30 2.00 -1.26 -0.86 119.66 127.34 2nu5 s GLN 120 Ca 0.13 -0.71 0.25 0.00 -2.00 0.00 0.00 55.36 53.04 2nu5 s GLN 120 Cb -0.12 -3.51 0.49 0.00 0.80 0.00 0.00 33.01 30.67 2nu5 s GLN 120 CO 0.02 -0.40 1.43 0.66 -0.50 0.00 0.00 175.29 176.51