#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nv4 s LEU 3 N 0.00 4.47 -0.16 9.51 1.43 -1.26 -5.07 118.68 127.60 2nv4 s LEU 3 Ca 0.00 1.19 -0.14 0.00 -1.03 0.00 0.00 54.13 54.14 2nv4 s LEU 3 Cb 0.00 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 2nv4 s LEU 3 CO 0.00 0.20 0.32 -0.54 0.23 0.00 0.00 176.35 176.56 2nv4 s LYS 4 N -0.66 4.25 -0.31 1.70 1.02 -1.26 -5.04 119.74 119.45 2nv4 s LYS 4 Ca 0.29 0.14 -0.28 0.00 0.02 0.00 0.00 55.97 56.14 2nv4 s LYS 4 Cb -0.19 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 2nv4 s LYS 4 CO 0.18 0.18 1.03 -1.25 -0.92 0.00 0.00 175.35 174.57 2nv4 s PRO 5 N 0.62 4.07 0.02 -1.68 0.04 -1.26 -4.78 135.00 132.03 2nv4 s PRO 5 Ca 0.18 1.03 0.25 0.00 0.04 0.00 0.00 61.00 62.49 2nv4 s PRO 5 Cb -0.13 -3.73 0.42 0.00 0.04 0.00 0.00 34.50 31.10 2nv4 s PRO 5 CO 0.05 -0.84 1.35 0.44 0.04 0.00 0.00 177.00 178.04 2nv4 n ILE 6 N 5.76 0.05 -3.89 0.56 -5.35 -0.90 -4.94 119.36 110.65 2nv4 n ILE 6 Ca 0.11 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 2nv4 n ILE 6 Cb 0.47 0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.63 2nv4 n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nv4 n GLY 7 N 1.47 0.52 3.08 3.28 0.00 -1.22 -1.32 105.19 111.00 2nv4 n GLY 7 Ca 0.05 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 2nv4 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nv4 s VAL 8 N -2.11 0.69 -0.08 1.61 0.11 -0.64 -0.53 120.40 119.46 2nv4 s VAL 8 Ca 0.20 -1.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.18 2nv4 s VAL 8 Cb -0.01 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2nv4 s VAL 8 CO 0.02 -0.24 0.20 -0.69 -3.33 0.00 0.00 175.10 171.06 2nv4 s VAL 9 N -1.13 5.40 -0.19 2.04 1.01 0.72 -1.81 120.40 126.44 2nv4 s VAL 9 Ca -0.06 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2nv4 s VAL 9 Cb -0.09 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2nv4 s VAL 9 CO 0.01 0.58 -0.19 -0.75 0.00 0.00 0.00 175.10 174.75 2nv4 s LYS 10 N -1.14 2.89 0.14 2.72 2.20 0.04 0.10 119.74 126.68 2nv4 s LYS 10 Ca 0.18 -0.89 -0.12 0.00 -0.36 0.00 0.00 55.97 54.78 2nv4 s LYS 10 Cb -0.13 -2.61 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 2nv4 s LYS 10 CO 0.07 -0.25 0.32 -1.54 -0.36 0.00 0.00 175.35 173.59 2nv4 s SER 11 N 1.27 -0.04 -0.00 1.43 1.04 -1.26 -0.55 113.70 115.58 2nv4 s SER 11 Ca 0.03 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.86 2nv4 s SER 11 Cb -0.14 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.46 2nv4 s SER 11 CO -0.12 -0.86 0.94 -0.81 0.98 0.00 0.00 173.24 173.37 2nv4 n PRO 12 N -0.19 1.15 -3.45 4.02 -0.04 -1.26 -4.36 135.00 130.87 2nv4 n PRO 12 Ca -0.12 -0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 62.72 2nv4 n PRO 12 Cb 0.63 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.88 2nv4 n PRO 12 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2nv4 s PHE 13 N -1.76 3.43 -0.00 0.54 0.08 -1.26 -4.94 117.98 114.07 2nv4 s PHE 13 Ca 0.03 -1.78 -0.23 0.00 0.12 0.00 0.00 56.93 55.07 2nv4 s PHE 13 Cb 0.02 -3.63 -0.18 0.00 -0.57 0.00 0.00 43.02 38.65 2nv4 s PHE 13 CO 0.02 -0.99 1.25 0.87 -0.10 0.00 0.00 175.22 176.27 2nv4 h LYS 14 N 8.35 0.17 -5.01 0.44 1.79 -1.85 0.41 116.57 120.87 2nv4 h LYS 14 Ca -0.17 -0.10 -0.51 0.00 -2.18 0.00 0.00 60.65 57.69 2nv4 h LYS 14 Cb 1.07 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.59 2nv4 h LYS 14 CO 0.89 0.66 -0.53 0.95 -1.08 0.00 0.00 179.45 180.34 2nv4 s THR 15 N -4.07 0.57 -1.16 -0.16 -4.23 -1.26 -4.50 115.64 100.83 2nv4 s THR 15 Ca -0.15 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.44 2nv4 s THR 15 Cb 0.03 -2.44 0.10 0.00 1.34 0.00 0.00 72.50 71.52 2nv4 s THR 15 CO 0.72 0.00 1.21 0.00 -0.54 0.00 0.00 174.62 176.01 2nv4 n GLN 16 N -0.79 0.04 0.13 3.99 3.00 -1.26 -2.14 117.38 120.35 2nv4 n GLN 16 Ca -0.03 0.30 0.10 0.00 -0.01 0.00 0.00 57.00 57.36 2nv4 n GLN 16 Cb 0.65 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.43 2nv4 n GLN 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2nv4 h ASN 17 N 0.00 0.00 0.00 1.08 2.35 -1.99 -3.34 115.58 113.68 2nv4 h ASN 17 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2nv4 h ASN 17 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2nv4 h ASN 17 CO 0.00 0.11 -0.21 -0.90 -1.65 0.00 0.00 177.43 174.78 2nv4 n ASP 18 N -2.87 1.93 -4.55 5.81 5.68 -0.91 -5.02 116.55 116.61 2nv4 n ASP 18 Ca 0.00 -3.15 -0.34 0.00 -0.50 0.00 0.00 54.79 50.81 2nv4 n ASP 18 Cb 0.59 -0.43 -0.12 0.00 -1.14 0.00 0.00 41.12 40.03 2nv4 n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nv4 s ALA 19 N -2.59 2.98 0.27 2.12 0.00 -1.15 -4.65 121.76 118.74 2nv4 s ALA 19 Ca 0.31 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 2nv4 s ALA 19 Cb 0.28 -1.33 -0.10 0.00 0.00 0.00 0.00 23.12 21.97 2nv4 s ALA 19 CO -0.00 0.45 1.28 -1.25 0.00 0.00 0.00 175.76 176.24 2nv4 s PRO 20 N -0.41 4.41 0.28 0.00 0.04 -1.26 -4.89 135.00 133.18 2nv4 s PRO 20 Ca 0.06 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2nv4 s PRO 20 Cb -0.12 -3.14 0.47 0.00 0.04 0.00 0.00 34.50 31.74 2nv4 s PRO 20 CO 0.02 -0.16 1.90 0.00 0.04 0.00 0.00 177.00 178.81 2nv4 h ARG 21 N 4.29 1.08 -3.69 4.56 3.08 -1.95 -3.37 114.38 118.37 2nv4 h ARG 21 Ca -0.47 -0.06 -0.52 0.00 0.07 0.00 0.00 59.98 59.00 2nv4 h ARG 21 Cb 1.22 -0.24 -0.39 0.00 0.08 0.00 0.00 29.97 30.63 2nv4 h ARG 21 CO 0.71 0.71 -0.77 -0.65 -1.07 0.00 0.00 179.97 178.90 2nv4 s GLN 22 N -5.97 0.80 0.59 0.04 -1.52 -1.26 -5.03 119.66 107.32 2nv4 s GLN 22 Ca -0.12 -0.42 0.29 0.00 -1.95 0.00 0.00 55.36 53.16 2nv4 s GLN 22 Cb 0.20 -2.02 1.49 0.00 -0.22 0.00 0.00 33.01 32.47 2nv4 s GLN 22 CO 0.81 -0.58 1.91 0.78 -0.25 0.00 0.00 175.29 177.96 2nv4 h GLY 23 N 8.22 0.00 1.56 3.09 0.00 -1.74 -1.71 103.07 112.49 2nv4 h GLY 23 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.21 2nv4 h GLY 23 CO 0.34 0.00 0.18 3.21 0.00 0.00 0.00 176.54 180.27 2nv4 h ARG 24 N 0.00 0.10 -0.00 4.80 2.47 -1.91 -1.10 114.38 118.74 2nv4 h ARG 24 Ca 0.19 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2nv4 h ARG 24 Cb 1.10 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2nv4 h ARG 24 CO -0.00 0.07 -0.10 1.19 0.56 0.00 0.00 179.97 181.69 2nv4 n PHE 25 N -4.48 0.00 -4.01 3.04 3.72 -0.64 -4.86 117.46 110.23 2nv4 n PHE 25 Ca 0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.16 2nv4 n PHE 25 Cb 0.26 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 2nv4 n PHE 25 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2nv4 s SER 26 N -2.54 5.92 0.00 4.37 0.15 -0.42 -5.00 113.70 116.18 2nv4 s SER 26 Ca 0.27 0.02 0.15 0.00 0.70 0.00 0.00 55.95 57.09 2nv4 s SER 26 Cb 0.20 -1.67 0.18 0.00 -1.71 0.00 0.00 66.02 63.02 2nv4 s SER 26 CO 0.48 0.06 1.05 0.47 1.20 0.00 0.00 173.24 176.51 2nv4 n ASP 27 N -0.42 2.45 -4.77 5.45 8.00 -1.26 -4.46 116.55 121.54 2nv4 n ASP 27 Ca -0.08 -1.70 -0.41 0.00 0.71 0.00 0.00 54.79 53.31 2nv4 n ASP 27 Cb 0.54 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 2nv4 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nv4 s ALA 28 N -1.18 3.55 -0.09 2.24 0.00 -1.26 -4.96 121.76 120.05 2nv4 s ALA 28 Ca 0.20 1.41 -0.15 0.00 0.00 0.00 0.00 51.96 53.42 2nv4 s ALA 28 Cb 0.13 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2nv4 s ALA 28 CO 0.19 -0.83 0.38 0.08 0.00 0.00 0.00 175.76 175.57 2nv4 s VAL 29 N -0.97 5.19 0.25 0.00 1.01 -1.26 -4.25 120.40 120.37 2nv4 s VAL 29 Ca 0.52 0.75 0.11 0.00 0.00 0.00 0.00 61.98 63.36 2nv4 s VAL 29 Cb -0.43 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2nv4 s VAL 29 CO 0.56 0.44 -0.20 -0.44 0.00 0.00 0.00 175.10 175.46 2nv4 s SER 30 N -0.07 3.46 -0.02 3.32 0.01 -0.33 -4.58 113.70 115.48 2nv4 s SER 30 Ca 0.22 -0.99 0.07 0.00 1.31 0.00 0.00 55.95 56.56 2nv4 s SER 30 Cb -0.15 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 2nv4 s SER 30 CO 0.09 0.04 -0.23 -0.70 0.41 0.00 0.00 173.24 172.85 2nv4 s GLU 31 N -3.31 1.94 -0.25 12.44 2.12 0.29 -0.76 118.70 131.17 2nv4 s GLU 31 Ca 0.27 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.77 2nv4 s GLU 31 Cb -0.05 -1.84 0.04 0.00 0.26 0.00 0.00 34.13 32.53 2nv4 s GLU 31 CO 0.13 0.48 -0.08 0.42 -0.54 0.00 0.00 175.26 175.67 2nv4 s ILE 32 N -0.48 2.62 -0.31 -3.70 1.01 0.10 -0.78 121.20 119.66 2nv4 s ILE 32 Ca 0.07 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 2nv4 s ILE 32 Cb -0.10 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 2nv4 s ILE 32 CO -0.00 0.12 0.14 0.00 0.00 0.00 0.00 174.94 175.20 2nv4 s ALA 33 N 1.25 3.25 -0.03 9.38 0.00 -0.75 -0.66 121.76 134.20 2nv4 s ALA 33 Ca -0.03 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.38 2nv4 s ALA 33 Cb -0.18 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2nv4 s ALA 33 CO -0.05 -0.91 0.43 0.42 0.00 0.00 0.00 175.76 175.66 2nv4 s ILE 34 N 1.60 5.05 0.22 0.00 -1.09 0.10 -1.61 121.20 125.47 2nv4 s ILE 34 Ca 0.04 0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 59.04 2nv4 s ILE 34 Cb -0.17 -3.75 -0.10 0.00 -1.58 0.00 0.00 42.46 36.86 2nv4 s ILE 34 CO 0.06 0.51 1.43 -0.36 -1.23 0.00 0.00 174.94 175.35 2nv4 s PHE 35 N -0.60 3.08 0.34 3.97 0.08 -0.43 -4.80 117.98 119.62 2nv4 s PHE 35 Ca 0.24 1.00 0.12 0.00 0.12 0.00 0.00 56.93 58.41 2nv4 s PHE 35 Cb -0.16 -3.79 1.08 0.00 -0.57 0.00 0.00 43.02 39.57 2nv4 s PHE 35 CO 0.13 -2.63 1.58 0.22 -0.10 0.00 0.00 175.22 174.42 2nv4 h ASP 36 N 5.45 -0.02 -0.82 1.36 3.58 -1.96 0.27 116.42 124.29 2nv4 h ASP 36 Ca -0.45 0.27 0.24 0.00 0.42 0.00 0.00 57.03 57.50 2nv4 h ASP 36 Cb 1.21 0.36 -0.03 0.00 1.72 0.00 0.00 39.33 42.59 2nv4 h ASP 36 CO 0.80 -0.39 0.73 -0.08 -2.88 0.00 0.00 179.24 177.42 2nv4 h GLU 37 N 0.02 0.00 -0.13 0.28 4.81 -1.96 0.14 114.58 117.74 2nv4 h GLU 37 Ca 0.73 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.96 2nv4 h GLU 37 Cb 1.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.16 2nv4 h GLU 37 CO -0.83 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.11 2nv4 n TYR 38 N -3.83 0.17 -0.35 0.92 4.01 0.94 -4.71 117.16 114.30 2nv4 n TYR 38 Ca 0.17 -0.22 0.25 0.00 -0.16 0.00 0.00 57.90 57.95 2nv4 n TYR 38 Cb 1.01 -0.01 0.52 0.00 -0.31 0.00 0.00 39.34 40.55 2nv4 n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2nv4 h ALA 39 N 1.78 2.27 -0.01 -0.72 0.00 -0.54 0.16 119.26 122.20 2nv4 h ALA 39 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2nv4 h ALA 39 Cb 0.52 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2nv4 h ALA 39 CO 0.00 -0.75 0.03 -0.44 0.00 0.00 0.00 179.25 178.09 2nv4 h ASP 40 N 0.34 0.00 0.88 0.00 3.45 -1.84 -0.58 116.42 118.66 2nv4 h ASP 40 Ca 0.66 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.12 2nv4 h ASP 40 Cb 1.73 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.50 2nv4 h ASP 40 CO -0.37 0.00 0.00 1.23 -1.57 0.00 0.00 179.24 178.53 2nv4 h GLY 41 N 0.00 0.00 -1.01 2.75 0.00 -1.05 -2.74 103.07 101.03 2nv4 h GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nv4 h GLY 41 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 2nv4 n LEU 42 N -2.41 2.03 -4.58 3.11 4.77 -0.23 -4.93 117.00 114.75 2nv4 n LEU 42 Ca 0.02 -0.72 -0.51 0.00 -0.03 0.00 0.00 56.01 54.77 2nv4 n LEU 42 Cb 0.27 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2nv4 n LEU 42 CO 0.22 0.36 1.61 1.57 -1.33 0.00 0.00 177.39 179.83 2nv4 n HIS 43 N 0.58 1.95 -1.01 -1.77 -0.00 -1.04 -0.59 115.22 113.34 2nv4 n HIS 43 Ca 0.17 0.22 -0.00 0.00 0.46 0.00 0.00 57.72 58.57 2nv4 n HIS 43 Cb 0.43 -2.57 -0.00 0.00 -0.12 0.00 0.00 29.99 27.73 2nv4 n HIS 43 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2nv4 n LYS 44 N 7.17 -0.05 0.27 1.57 5.02 -1.26 -4.94 118.16 125.94 2nv4 n LYS 44 Ca 0.32 0.22 0.17 0.00 -2.02 0.00 0.00 58.31 57.00 2nv4 n LYS 44 Cb 0.24 -3.47 0.74 0.00 -0.02 0.00 0.00 35.03 32.53 2nv4 n LYS 44 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2nv4 h ILE 45 N 0.00 0.00 0.00 -0.18 2.10 -1.21 -2.09 117.51 116.13 2nv4 h ILE 45 Ca -0.01 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 2nv4 h ILE 45 Cb 0.04 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 2nv4 h ILE 45 CO 0.01 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.24 2nv4 n GLU 46 N -2.98 0.04 -0.07 2.19 0.00 -1.26 -1.78 120.64 116.78 2nv4 n GLU 46 Ca 0.00 0.30 0.10 0.00 0.00 0.00 0.00 57.16 57.56 2nv4 n GLU 46 Cb 0.26 -1.58 0.39 0.00 0.00 0.00 0.00 31.44 30.51 2nv4 n GLU 46 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2nv4 n ASN 47 N -1.66 1.36 -4.49 -1.84 5.03 -0.78 -4.85 115.26 108.03 2nv4 n ASN 47 Ca 0.03 -1.67 -0.29 0.00 0.87 0.00 0.00 54.58 53.52 2nv4 n ASN 47 Cb 0.18 -0.09 -0.11 0.00 -1.02 0.00 0.00 39.78 38.73 2nv4 n ASN 47 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2nv4 s LEU 48 N -1.54 2.69 -0.15 3.41 1.43 -0.73 -5.03 118.68 118.76 2nv4 s LEU 48 Ca 0.31 -0.58 0.13 0.00 -1.03 0.00 0.00 54.13 52.96 2nv4 s LEU 48 Cb 0.16 -1.52 -0.19 0.00 0.03 0.00 0.00 46.19 44.67 2nv4 s LEU 48 CO 0.25 0.17 0.05 0.54 0.23 0.00 0.00 176.35 177.59 2nv4 n ARG 49 N 0.74 1.46 -4.47 1.70 5.12 -1.26 -4.76 116.66 115.19 2nv4 n ARG 49 Ca -0.15 -0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.56 2nv4 n ARG 49 Cb 0.53 -1.40 -0.15 0.00 -1.16 0.00 0.00 32.46 30.29 2nv4 n ARG 49 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2nv4 s HIS 50 N -2.37 0.98 0.15 -1.55 3.76 -1.26 -0.09 115.29 114.90 2nv4 s HIS 50 Ca -0.08 -0.19 -0.06 0.00 -0.15 0.00 0.00 55.06 54.59 2nv4 s HIS 50 Cb 0.05 -0.63 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 2nv4 s HIS 50 CO 0.63 -0.02 0.18 0.96 -0.85 0.00 0.00 174.74 175.64 2nv4 s ILE 51 N -0.24 0.08 -0.11 0.60 -4.36 -0.99 -2.58 121.20 113.60 2nv4 s ILE 51 Ca 0.04 -1.61 -0.03 0.00 -0.26 0.00 0.00 60.65 58.80 2nv4 s ILE 51 Cb -0.04 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.72 2nv4 s ILE 51 CO -0.00 -0.38 -0.01 -0.63 0.24 0.00 0.00 174.94 174.15 2nv4 s ILE 52 N -4.00 4.15 -0.10 8.37 1.01 0.11 -0.96 121.20 129.79 2nv4 s ILE 52 Ca 0.20 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2nv4 s ILE 52 Cb 0.05 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 2nv4 s ILE 52 CO 0.00 0.56 -0.20 -0.69 0.00 0.00 0.00 174.94 174.61 2nv4 s VAL 53 N -0.39 2.41 -0.19 2.92 1.01 0.88 -1.26 120.40 125.79 2nv4 s VAL 53 Ca 0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2nv4 s VAL 53 Cb -0.12 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2nv4 s VAL 53 CO 0.02 0.55 -0.09 -0.76 0.00 0.00 0.00 175.10 174.83 2nv4 s LEU 54 N 0.16 2.74 0.25 3.92 1.43 0.24 -1.34 118.68 126.09 2nv4 s LEU 54 Ca -0.11 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2nv4 s LEU 54 Cb -0.16 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 2nv4 s LEU 54 CO 0.06 0.04 0.01 -0.72 0.23 0.00 0.00 176.35 175.97 2nv4 s TYR 55 N 1.11 1.65 0.00 0.29 1.13 -0.41 0.12 117.35 121.25 2nv4 s TYR 55 Ca 0.01 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 54.74 2nv4 s TYR 55 Cb -0.14 -0.98 0.00 0.00 -1.10 0.00 0.00 41.96 39.74 2nv4 s TYR 55 CO -0.02 -0.03 0.00 1.87 -2.51 0.00 0.00 175.55 174.86 2nv4 n TRP 56 N -0.48 0.00 -0.10 -3.49 -0.00 -0.45 0.44 117.44 113.36 2nv4 n TRP 56 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2nv4 n TRP 56 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.95 2nv4 n TRP 56 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2nv4 n ASP 58 N 0.00 0.00 -1.06 5.87 5.75 -1.26 -4.03 116.55 121.82 2nv4 n ASP 58 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 2nv4 n ASP 58 Cb 0.00 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.35 2nv4 n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2nv4 n LYS 59 N 0.00 3.07 -3.11 0.11 5.02 -1.26 -4.99 118.16 117.01 2nv4 n LYS 59 Ca 0.00 -2.50 -0.31 0.00 -2.02 0.00 0.00 58.31 53.48 2nv4 n LYS 59 Cb 0.00 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.40 2nv4 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nv4 s ALA 60 N -1.46 3.43 0.09 7.82 0.00 -1.26 -5.04 121.76 125.34 2nv4 s ALA 60 Ca 0.38 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 2nv4 s ALA 60 Cb 0.23 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.70 2nv4 s ALA 60 CO 0.21 0.20 1.19 0.45 0.00 0.00 0.00 175.76 177.81 2nv4 s SER 61 N -2.84 7.10 0.00 0.00 0.15 -1.26 -4.93 113.70 111.92 2nv4 s SER 61 Ca 0.50 2.06 0.20 0.00 0.70 0.00 0.00 55.95 59.40 2nv4 s SER 61 Cb -0.10 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 62.04 2nv4 s SER 61 CO 0.26 -0.43 1.35 0.54 1.20 0.00 0.00 173.24 176.17 2nv4 n ARG 62 N 3.52 2.44 -0.62 5.44 1.74 -1.26 -2.32 116.66 125.60 2nv4 n ARG 62 Ca 0.07 -2.23 0.04 0.00 -0.77 0.00 0.00 57.85 54.96 2nv4 n ARG 62 Cb 0.46 -1.45 0.20 0.00 -1.02 0.00 0.00 32.46 30.65 2nv4 n ARG 62 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2nv4 n ASP 63 N 1.27 1.96 -4.28 0.55 5.68 -1.26 -3.97 116.55 116.50 2nv4 n ASP 63 Ca 0.18 -3.83 -0.32 0.00 -0.50 0.00 0.00 54.79 50.32 2nv4 n ASP 63 Cb 0.55 -0.55 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 2nv4 n ASP 63 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2nv4 s LYS 64 N -3.22 3.18 -0.01 0.11 1.02 -1.26 -4.99 119.74 114.57 2nv4 s LYS 64 Ca 0.39 -0.80 0.15 0.00 0.02 0.00 0.00 55.97 55.74 2nv4 s LYS 64 Cb 0.37 -2.46 -0.20 0.00 -0.52 0.00 0.00 37.83 35.02 2nv4 s LYS 64 CO -0.05 0.17 0.45 1.28 -0.92 0.00 0.00 175.35 176.28 2nv4 n LEU 65 N 3.60 0.28 -4.19 3.17 4.32 -1.26 -4.12 117.00 118.81 2nv4 n LEU 65 Ca -0.19 -0.21 -0.16 0.00 -0.02 0.00 0.00 56.01 55.44 2nv4 n LEU 65 Cb 0.53 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.22 2nv4 n LEU 65 CO 0.29 0.07 -0.43 -0.13 -1.22 0.00 0.00 177.39 175.97 2nv4 s ARG 66 N -2.77 0.89 0.17 3.23 0.52 -1.26 -1.44 118.95 118.28 2nv4 s ARG 66 Ca -0.01 -1.15 -0.18 0.00 -0.52 0.00 0.00 55.73 53.87 2nv4 s ARG 66 Cb 0.10 -0.67 0.04 0.00 0.52 0.00 0.00 34.95 34.94 2nv4 s ARG 66 CO 0.61 0.12 0.50 0.54 0.02 0.00 0.00 175.30 177.09 2nv4 s VAL 67 N -2.19 0.03 -0.32 3.52 0.11 -0.32 -4.87 120.40 116.37 2nv4 s VAL 67 Ca 0.05 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2nv4 s VAL 67 Cb -0.04 -1.37 0.08 0.00 -1.53 0.00 0.00 36.38 33.51 2nv4 s VAL 67 CO 0.01 -0.16 0.01 -0.69 -3.33 0.00 0.00 175.10 170.95 2nv4 s VAL 68 N -3.83 2.52 0.84 2.04 1.01 -1.26 -1.05 120.40 120.66 2nv4 s VAL 68 Ca 0.06 -1.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.01 2nv4 s VAL 68 Cb -0.00 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.80 2nv4 s VAL 68 CO -0.07 -0.34 0.93 -2.65 0.00 0.00 0.00 175.10 172.97 2nv4 n PRO 69 N 4.42 0.01 -0.12 2.72 -0.02 -1.26 -4.89 135.00 135.86 2nv4 n PRO 69 Ca -0.06 0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 2nv4 n PRO 69 Cb 0.42 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 2nv4 n PRO 69 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2nv4 h PRO 70 N -1.10 -0.25 -2.01 0.52 0.11 -2.00 -2.22 132.00 125.05 2nv4 h PRO 70 Ca -0.45 0.02 -0.42 0.00 0.11 0.00 0.00 66.00 65.26 2nv4 h PRO 70 Cb 1.30 0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.32 2nv4 h PRO 70 CO 0.42 -0.17 0.21 0.41 -0.21 0.00 0.00 178.00 178.67 2nv4 n GLY 71 N -1.26 3.98 3.26 -0.55 0.00 -1.26 -4.85 105.19 104.52 2nv4 n GLY 71 Ca -0.02 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 2nv4 n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nv4 s GLU 72 N -0.94 0.72 -0.19 1.61 2.12 -0.83 -5.07 118.70 116.12 2nv4 s GLU 72 Ca 0.61 -0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.75 2nv4 s GLU 72 Cb 0.36 0.32 -0.12 0.00 0.26 0.00 0.00 34.13 34.95 2nv4 s GLU 72 CO -0.16 -0.21 -0.17 -2.37 -0.54 0.00 0.00 175.26 171.81 2nv4 n THR 73 N 1.14 1.07 -3.12 -1.70 5.66 -1.26 -4.63 114.28 111.44 2nv4 n THR 73 Ca -0.21 -0.41 -0.33 0.00 -3.05 0.00 0.00 64.05 60.05 2nv4 n THR 73 Cb 0.57 -1.18 -0.06 0.00 -1.55 0.00 0.00 70.33 68.11 2nv4 n THR 73 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2nv4 s GLU 74 N -2.37 4.04 0.24 1.09 2.02 -1.26 -5.00 118.70 117.46 2nv4 s GLU 74 Ca -0.25 0.71 -0.12 0.00 0.02 0.00 0.00 54.97 55.33 2nv4 s GLU 74 Cb 0.07 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.73 2nv4 s GLU 74 CO 0.43 0.18 0.60 -1.83 0.02 0.00 0.00 175.26 174.66 2nv4 s GLU 75 N -2.85 3.88 0.15 1.61 -1.05 -1.26 -4.64 118.70 114.55 2nv4 s GLU 75 Ca 0.53 0.40 -0.00 0.00 -0.15 0.00 0.00 54.97 55.75 2nv4 s GLU 75 Cb -0.11 -2.63 -0.04 0.00 -0.44 0.00 0.00 34.13 30.90 2nv4 s GLU 75 CO 0.18 0.30 0.05 -0.98 0.95 0.00 0.00 175.26 175.75 2nv4 s ARG 76 N -2.74 1.02 0.53 -4.83 1.70 -0.21 -4.91 118.95 109.51 2nv4 s ARG 76 Ca 0.48 -1.50 -0.22 0.00 -0.47 0.00 0.00 55.73 54.03 2nv4 s ARG 76 Cb -0.11 0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.27 2nv4 s ARG 76 CO 0.20 -0.23 1.28 0.20 -1.08 0.00 0.00 175.30 175.67 2nv4 s GLY 77 N -3.11 2.83 0.60 3.88 0.00 -1.26 -1.18 107.32 109.09 2nv4 s GLY 77 Ca 0.26 1.16 0.35 0.00 0.00 0.00 0.00 44.72 46.49 2nv4 s GLY 77 CO 0.04 1.64 2.21 -0.39 0.00 0.00 0.00 173.10 176.60 2nv4 h VAL 78 N 1.47 0.26 0.00 1.40 -1.51 -1.58 -0.76 116.25 115.54 2nv4 h VAL 78 Ca -0.50 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 2nv4 h VAL 78 Cb 1.28 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2nv4 h VAL 78 CO 0.58 0.03 0.00 0.49 -1.23 0.00 0.00 177.57 177.44 2nv4 n PHE 79 N -3.39 0.00 -0.05 5.19 3.72 -1.26 -2.31 117.46 119.35 2nv4 n PHE 79 Ca -0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.40 2nv4 n PHE 79 Cb 0.15 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.74 2nv4 n PHE 79 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2nv4 n THR 80 N -0.88 0.97 -4.04 4.37 -2.24 -0.29 -5.03 114.28 107.14 2nv4 n THR 80 Ca 0.16 -0.99 -0.02 0.00 -2.27 0.00 0.00 64.05 60.94 2nv4 n THR 80 Cb 0.08 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2nv4 n THR 80 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2nv4 n THR 81 N -0.15 0.00 -0.35 4.28 -2.24 -0.98 -5.01 114.28 109.83 2nv4 n THR 81 Ca 0.04 -0.20 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2nv4 n THR 81 Cb 0.30 0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.63 2nv4 n THR 81 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2nv4 n ARG 82 N -0.07 2.29 -1.58 -0.78 5.12 -1.26 -5.01 116.66 115.36 2nv4 n ARG 82 Ca -0.00 -1.56 -0.39 0.00 -1.93 0.00 0.00 57.85 53.96 2nv4 n ARG 82 Cb 0.05 -1.02 0.04 0.00 -1.16 0.00 0.00 32.46 30.37 2nv4 n ARG 82 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2nv4 n SER 83 N -0.59 0.55 -0.14 0.55 7.64 -1.26 -4.93 113.62 115.43 2nv4 n SER 83 Ca 0.03 0.85 -0.10 0.00 1.01 0.00 0.00 58.87 60.67 2nv4 n SER 83 Cb 0.36 -1.34 -0.01 0.00 -1.01 0.00 0.00 64.21 62.21 2nv4 n SER 83 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2nv4 h PRO 84 N 0.73 0.64 -6.26 1.43 0.11 -1.97 -3.43 132.00 123.25 2nv4 h PRO 84 Ca -0.47 -0.16 -0.55 0.00 0.11 0.00 0.00 66.00 64.93 2nv4 h PRO 84 Cb 1.36 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2nv4 h PRO 84 CO 0.52 0.68 1.02 -1.12 -0.21 0.00 0.00 178.00 178.88 2nv4 s SER 85 N -6.02 6.74 -0.06 -2.05 0.01 -1.26 -4.58 113.70 106.48 2nv4 s SER 85 Ca -0.13 2.12 -0.31 0.00 1.31 0.00 0.00 55.95 58.94 2nv4 s SER 85 Cb 0.10 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.91 2nv4 s SER 85 CO 0.77 -0.87 1.15 0.00 0.41 0.00 0.00 173.24 174.70 2nv4 s ARG 86 N 3.72 0.54 0.26 12.44 1.70 -0.98 -4.86 118.95 131.77 2nv4 s ARG 86 Ca 0.69 -0.25 -0.02 0.00 -0.47 0.00 0.00 55.73 55.68 2nv4 s ARG 86 Cb -0.31 0.22 0.55 0.00 -0.57 0.00 0.00 34.95 34.83 2nv4 s ARG 86 CO 0.26 -0.24 1.71 -1.35 -1.08 0.00 0.00 175.30 174.60 2nv4 h PRO 87 N 2.00 0.40 -3.52 3.89 0.11 -1.80 -3.29 132.00 129.79 2nv4 h PRO 87 Ca -0.20 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.26 2nv4 h PRO 87 Cb 1.20 -0.09 -0.40 0.00 0.11 0.00 0.00 31.00 31.82 2nv4 h PRO 87 CO 0.26 0.26 -0.70 -0.80 -0.21 0.00 0.00 178.00 176.81 2nv4 s ASN 88 N -5.28 4.14 -0.27 -2.05 -0.87 -1.26 -4.85 114.94 104.50 2nv4 s ASN 88 Ca -0.12 -2.53 -0.07 0.00 -1.57 0.00 0.00 52.86 48.56 2nv4 s ASN 88 Cb 0.22 -1.33 -0.08 0.00 -0.02 0.00 0.00 41.25 40.05 2nv4 s ASN 88 CO 0.77 -0.30 1.40 -2.65 -2.57 0.00 0.00 177.10 173.76 2nv4 n PRO 89 N 3.71 0.59 -3.23 -0.60 -0.02 -1.24 -4.89 135.00 129.31 2nv4 n PRO 89 Ca 0.05 -0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 60.24 2nv4 n PRO 89 Cb 0.36 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 2nv4 n PRO 89 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nv4 s ILE 90 N 4.91 5.02 0.06 4.25 1.01 -1.26 -4.51 121.20 130.68 2nv4 s ILE 90 Ca 0.23 0.55 -0.28 0.00 0.00 0.00 0.00 60.65 61.15 2nv4 s ILE 90 Cb 0.05 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2nv4 s ILE 90 CO 0.05 -0.12 0.88 -0.83 0.00 0.00 0.00 174.94 174.92 2nv4 s GLY 91 N 1.69 2.89 -0.22 6.18 0.00 0.17 -4.88 107.32 113.15 2nv4 s GLY 91 Ca 0.20 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.35 2nv4 s GLY 91 CO 0.12 1.36 -0.09 -2.27 0.00 0.00 0.00 173.10 172.22 2nv4 s LEU 92 N 0.22 2.85 -0.04 0.66 2.96 -1.26 -1.29 118.68 122.77 2nv4 s LEU 92 Ca 0.44 -0.68 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2nv4 s LEU 92 Cb -0.22 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2nv4 s LEU 92 CO 0.26 -0.07 -0.04 0.00 -1.32 0.00 0.00 176.35 175.19 2nv4 s VAL 94 N 0.89 5.00 0.28 0.00 1.01 -1.26 -0.08 120.40 126.23 2nv4 s VAL 94 Ca -0.12 1.33 0.07 0.00 0.00 0.00 0.00 61.98 63.27 2nv4 s VAL 94 Cb -0.14 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2nv4 s VAL 94 CO 0.00 0.13 -0.07 0.68 0.00 0.00 0.00 175.10 175.84 2nv4 s VAL 95 N 1.66 1.72 -0.21 2.92 -7.23 -0.14 -4.76 120.40 114.36 2nv4 s VAL 95 Ca 0.33 -2.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.30 2nv4 s VAL 95 Cb -0.16 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 2nv4 s VAL 95 CO 0.12 -0.31 0.00 -0.70 -0.31 0.00 0.00 175.10 173.91 2nv4 s GLU 96 N -3.71 3.58 -0.26 4.82 2.12 -0.84 -2.36 118.70 122.06 2nv4 s GLU 96 Ca 0.29 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 2nv4 s GLU 96 Cb 0.03 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2nv4 s GLU 96 CO 0.12 -0.06 1.20 0.42 -0.54 0.00 0.00 175.26 176.40 2nv4 s ILE 97 N 1.19 4.34 -0.17 -3.70 1.01 0.87 -1.88 121.20 122.86 2nv4 s ILE 97 Ca 0.03 1.57 0.03 0.00 0.00 0.00 0.00 60.65 62.28 2nv4 s ILE 97 Cb -0.14 -4.21 -0.22 0.00 0.01 0.00 0.00 42.46 37.90 2nv4 s ILE 97 CO 0.01 -0.35 0.15 0.18 0.00 0.00 0.00 174.94 174.93 2nv4 n LEU 98 N 7.00 2.09 -3.68 2.97 4.77 0.74 -4.87 117.00 126.01 2nv4 n LEU 98 Ca 0.13 0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 2nv4 n LEU 98 Cb 0.46 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 2nv4 n LEU 98 CO 0.59 0.76 0.17 -0.70 -1.33 0.00 0.00 177.39 176.88 2nv4 s GLU 99 N -2.54 0.73 -0.19 3.23 2.12 -0.77 -4.97 118.70 116.31 2nv4 s GLU 99 Ca -0.22 0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 2nv4 s GLU 99 Cb 0.08 0.34 0.05 0.00 0.26 0.00 0.00 34.13 34.86 2nv4 s GLU 99 CO 0.73 -0.18 -0.01 0.08 -0.54 0.00 0.00 175.26 175.33 2nv4 s VAL 100 N -0.75 0.94 0.00 3.70 1.01 -1.26 -0.77 120.40 123.26 2nv4 s VAL 100 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2nv4 s VAL 100 Cb -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2nv4 s VAL 100 CO 0.04 -0.06 0.00 1.21 0.00 0.00 0.00 175.10 176.30 2nv4 n GLU 101 N 4.91 0.00 0.00 2.72 4.07 -0.38 -5.02 120.64 126.94 2nv4 n GLU 101 Ca -0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 2nv4 n GLU 101 Cb 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 2nv4 n GLU 101 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2nv4 n ARG 102 N 0.00 0.00 -0.17 5.31 0.63 -1.26 -4.82 116.66 116.35 2nv4 n ARG 102 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 2nv4 n ARG 102 Cb 0.00 -0.18 0.13 0.00 0.45 0.00 0.00 32.46 32.86 2nv4 n ARG 102 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2nv4 n ASN 103 N -2.17 2.77 -4.29 6.15 3.02 -1.26 -5.00 115.26 114.49 2nv4 n ASN 103 Ca 0.00 -2.42 -0.31 0.00 -0.03 0.00 0.00 54.58 51.82 2nv4 n ASN 103 Cb 0.00 -0.27 -0.16 0.00 -0.61 0.00 0.00 39.78 38.74 2nv4 n ASN 103 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2nv4 s ARG 104 N -1.74 2.17 -0.06 3.52 0.52 -1.26 0.03 118.95 122.13 2nv4 s ARG 104 Ca 0.22 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 2nv4 s ARG 104 Cb 0.16 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.60 2nv4 s ARG 104 CO 0.08 0.51 -0.17 -0.51 0.02 0.00 0.00 175.30 175.23 2nv4 s LEU 105 N -0.50 1.85 -0.25 2.53 1.43 0.17 -1.25 118.68 122.66 2nv4 s LEU 105 Ca 0.07 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 2nv4 s LEU 105 Cb -0.11 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2nv4 s LEU 105 CO 0.00 0.11 0.14 -0.54 0.23 0.00 0.00 176.35 176.29 2nv4 s LYS 106 N 0.35 3.92 0.34 1.70 1.02 0.05 0.01 119.74 127.13 2nv4 s LYS 106 Ca -0.11 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 55.57 2nv4 s LYS 106 Cb -0.15 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 2nv4 s LYS 106 CO 0.04 -0.06 0.17 0.14 -0.92 0.00 0.00 175.35 174.72 2nv4 s VAL 107 N 1.35 0.39 0.12 3.17 -7.23 0.06 -0.19 120.40 118.08 2nv4 s VAL 107 Ca 0.06 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 2nv4 s VAL 107 Cb -0.15 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2nv4 s VAL 107 CO 0.06 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 174.78 2nv4 s ARG 108 N -3.72 0.95 0.00 4.82 1.70 -0.79 -1.19 118.95 120.72 2nv4 s ARG 108 Ca 0.33 -1.40 0.00 0.00 -0.47 0.00 0.00 55.73 54.19 2nv4 s ARG 108 Cb 0.04 -0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.03 2nv4 s ARG 108 CO 0.18 0.01 0.00 0.91 -1.08 0.00 0.00 175.30 175.33 2nv4 n TRP 109 N -0.12 0.00 -3.14 5.89 8.01 -1.25 -1.98 117.44 124.85 2nv4 n TRP 109 Ca -0.11 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.69 2nv4 n TRP 109 Cb 0.61 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.85 2nv4 n TRP 109 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 2nv4 s LEU 110 N 0.00 4.54 -0.20 -0.99 2.96 -1.26 -3.65 118.68 120.07 2nv4 s LEU 110 Ca 0.00 1.43 0.13 0.00 -0.22 0.00 0.00 54.13 55.47 2nv4 s LEU 110 Cb 0.00 -3.13 0.43 0.00 0.50 0.00 0.00 46.19 44.00 2nv4 s LEU 110 CO 0.00 0.22 1.20 -0.90 -1.32 0.00 0.00 176.35 175.56 2nv4 n ASP 111 N 1.56 2.34 -4.78 3.68 5.68 -1.26 -4.67 116.55 119.09 2nv4 n ASP 111 Ca -0.08 -3.53 -0.39 0.00 -0.50 0.00 0.00 54.79 50.30 2nv4 n ASP 111 Cb 0.50 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 39.96 2nv4 n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nv4 s ALA 112 N -2.92 3.44 0.71 2.12 0.00 -1.26 -4.81 121.76 119.04 2nv4 s ALA 112 Ca 0.40 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.56 2nv4 s ALA 112 Cb 0.38 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.58 2nv4 s ALA 112 CO -0.06 0.29 1.17 -0.51 0.00 0.00 0.00 175.76 176.66 2nv4 s LEU 113 N -1.26 3.32 0.25 0.00 1.43 -1.26 -4.68 118.68 116.48 2nv4 s LEU 113 Ca 0.37 2.23 -0.31 0.00 -1.03 0.00 0.00 54.13 55.39 2nv4 s LEU 113 Cb -0.22 -4.58 -0.12 0.00 0.03 0.00 0.00 46.19 41.30 2nv4 s LEU 113 CO 0.26 -2.09 1.63 -0.67 0.23 0.00 0.00 176.35 175.71 2nv4 n ASP 114 N -2.67 3.75 0.00 2.29 2.03 0.14 -2.07 116.55 120.02 2nv4 n ASP 114 Ca 0.12 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.54 2nv4 n ASP 114 Cb 0.51 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 2nv4 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nv4 n GLY 115 N 2.94 0.71 3.77 0.27 0.00 0.28 -4.94 105.19 108.23 2nv4 n GLY 115 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2nv4 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nv4 s SER 116 N -2.37 6.30 0.31 1.61 0.01 -0.88 -4.57 113.70 114.10 2nv4 s SER 116 Ca 0.00 2.39 -0.29 0.00 1.31 0.00 0.00 55.95 59.37 2nv4 s SER 116 Cb 0.00 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 2nv4 s SER 116 CO 0.00 -0.83 1.14 -2.84 0.41 0.00 0.00 173.24 171.12 2nv4 s PRO 117 N -2.47 4.50 -0.07 12.44 0.02 -1.26 -0.20 135.00 147.96 2nv4 s PRO 117 Ca 0.60 1.86 -0.13 0.00 0.02 0.00 0.00 61.00 63.36 2nv4 s PRO 117 Cb -0.31 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 2nv4 s PRO 117 CO 0.39 0.06 0.32 0.08 -0.33 0.00 0.00 177.00 177.52 2nv4 s VAL 118 N -1.22 5.22 -0.16 3.83 1.01 0.32 -1.35 120.40 128.05 2nv4 s VAL 118 Ca 0.47 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 2nv4 s VAL 118 Cb -0.33 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2nv4 s VAL 118 CO 0.42 0.55 -0.16 -0.38 0.00 0.00 0.00 175.10 175.53 2nv4 n ILE 119 N 2.26 0.91 -3.53 2.22 2.08 0.12 -2.11 119.36 121.30 2nv4 n ILE 119 Ca -0.15 -0.31 -0.10 0.00 0.56 0.00 0.00 62.75 62.74 2nv4 n ILE 119 Cb 0.53 -1.24 -0.02 0.00 -0.75 0.00 0.00 39.64 38.16 2nv4 n ILE 119 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2nv4 s ASP 120 N -5.79 -0.47 -0.06 4.38 2.15 -0.67 -4.67 116.67 111.54 2nv4 s ASP 120 Ca -0.22 -0.14 -0.03 0.00 0.43 0.00 0.00 52.55 52.59 2nv4 s ASP 120 Cb 0.06 0.60 0.03 0.00 -0.30 0.00 0.00 42.92 43.32 2nv4 s ASP 120 CO 0.34 -1.01 0.13 -0.63 -0.17 0.00 0.00 175.17 173.84 2nv4 s ILE 121 N -3.70 -0.04 0.13 4.11 1.01 -1.26 -0.59 121.20 120.85 2nv4 s ILE 121 Ca 0.04 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.88 2nv4 s ILE 121 Cb -0.02 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2nv4 s ILE 121 CO -0.08 0.06 -0.11 -0.54 0.00 0.00 0.00 174.94 174.27 2nv4 s LYS 122 N 0.94 1.01 0.37 2.79 1.02 -0.39 -4.97 119.74 120.51 2nv4 s LYS 122 Ca -0.07 -1.34 -0.26 0.00 0.02 0.00 0.00 55.97 54.32 2nv4 s LYS 122 Cb -0.09 -0.67 -0.09 0.00 -0.52 0.00 0.00 37.83 36.45 2nv4 s LYS 122 CO -0.05 0.10 1.10 -1.59 -0.92 0.00 0.00 175.35 173.99 2nv4 s LYS 123 N -3.27 4.26 0.11 1.68 -2.85 -1.26 0.07 119.74 118.47 2nv4 s LYS 123 Ca 0.12 1.69 -0.27 0.00 -1.00 0.00 0.00 55.97 56.51 2nv4 s LYS 123 Cb -0.00 -2.76 -0.06 0.00 -2.06 0.00 0.00 37.83 32.95 2nv4 s LYS 123 CO 0.01 -0.10 0.86 -0.47 0.10 0.00 0.00 175.35 175.75 2nv4 s TYR 124 N -1.45 3.82 -0.22 1.78 5.04 -1.07 -4.60 117.35 120.65 2nv4 s TYR 124 Ca 0.54 1.67 -0.04 0.00 -2.44 0.00 0.00 57.07 56.80 2nv4 s TYR 124 Cb -0.27 -2.92 0.08 0.00 0.35 0.00 0.00 41.96 39.19 2nv4 s TYR 124 CO 0.34 0.30 0.10 0.45 -1.34 0.00 0.00 175.55 175.40 2nv4 s SER 125 N -0.32 2.91 0.22 4.32 0.15 -1.26 -4.91 113.70 114.82 2nv4 s SER 125 Ca 0.42 -0.92 -0.15 0.00 0.70 0.00 0.00 55.95 55.99 2nv4 s SER 125 Cb -0.23 -0.36 0.24 0.00 -1.71 0.00 0.00 66.02 63.96 2nv4 s SER 125 CO 0.27 -0.38 1.60 -0.65 1.20 0.00 0.00 173.24 175.28 2nv4 h PRO 126 N 8.37 -0.05 -0.17 5.44 0.11 -1.96 0.77 132.00 144.51 2nv4 h PRO 126 Ca -0.17 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.00 2nv4 h PRO 126 Cb 1.09 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2nv4 h PRO 126 CO 0.36 -0.04 0.19 1.05 -0.21 0.00 0.00 178.00 179.35 2nv4 h GLU 127 N -0.06 0.00 0.00 1.05 4.11 -1.96 -2.38 114.58 115.34 2nv4 h GLU 127 Ca 0.32 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.64 2nv4 h GLU 127 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2nv4 h GLU 127 CO -0.75 0.00 -1.45 0.44 0.07 0.00 0.00 179.01 177.32 2nv4 n ILE 128 N -3.82 0.41 0.76 -1.06 -5.35 -0.49 -4.66 119.36 105.16 2nv4 n ILE 128 Ca 0.01 -0.27 0.12 0.00 -0.27 0.00 0.00 62.75 62.34 2nv4 n ILE 128 Cb 0.31 -0.69 0.24 0.00 -1.74 0.00 0.00 39.64 37.76 2nv4 n ILE 128 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2nv4 n ASP 129 N -2.20 0.57 -4.20 7.28 8.00 0.14 -4.85 116.55 121.29 2nv4 n ASP 129 Ca -0.10 0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.16 2nv4 n ASP 129 Cb 0.66 0.10 -0.16 0.00 -0.02 0.00 0.00 41.12 41.71 2nv4 n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nv4 s VAL 131 N -0.29 5.27 -0.82 0.00 1.01 -1.26 -4.72 120.40 119.58 2nv4 s VAL 131 Ca 0.03 0.40 -0.22 0.00 0.00 0.00 0.00 61.98 62.18 2nv4 s VAL 131 Cb -0.10 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.75 2nv4 s VAL 131 CO 0.01 0.26 1.16 0.21 0.00 0.00 0.00 175.10 176.74 2nv4 s ASN 132 N 1.32 6.37 0.00 3.32 2.47 -1.26 -5.21 114.94 121.94 2nv4 s ASN 132 Ca 0.12 -1.30 0.00 0.00 0.42 0.00 0.00 52.86 52.10 2nv4 s ASN 132 Cb -0.15 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 2nv4 s ASN 132 CO 0.08 -1.41 0.46 0.00 -3.72 0.00 0.00 177.10 172.51