#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nez s PRO 5 N 0.00 3.56 -0.08 0.00 0.04 -1.26 -4.88 135.00 132.37 1nez s PRO 5 Ca 0.00 0.73 0.05 0.00 0.04 0.00 0.00 61.00 61.81 1nez s PRO 5 Cb 0.00 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1nez s PRO 5 CO 0.00 -0.59 -0.22 -2.00 0.04 0.00 0.00 177.00 174.22 1nez s GLU 6 N -5.19 2.63 -0.26 4.56 2.12 0.37 -4.96 118.70 117.97 1nez s GLU 6 Ca 0.55 -0.81 -0.08 0.00 0.36 0.00 0.00 54.97 54.99 1nez s GLU 6 Cb -0.11 -2.09 -0.02 0.00 0.26 0.00 0.00 34.13 32.17 1nez s GLU 6 CO 0.54 0.23 0.09 -0.51 -0.54 0.00 0.00 175.26 175.07 1nez s LEU 7 N 0.19 3.61 -0.09 2.70 1.02 -1.26 0.18 118.68 125.02 1nez s LEU 7 Ca -0.12 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1nez s LEU 7 Cb -0.16 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 1nez s LEU 7 CO 0.06 -0.08 -0.08 0.00 0.02 0.00 0.00 176.35 176.27 1nez s ARG 8 N 1.61 3.02 0.04 1.70 1.70 -0.42 -4.51 118.95 122.10 1nez s ARG 8 Ca 0.06 -0.58 0.08 0.00 -0.47 0.00 0.00 55.73 54.82 1nez s ARG 8 Cb -0.16 -2.64 -0.03 0.00 -0.57 0.00 0.00 34.95 31.56 1nez s ARG 8 CO 0.04 0.50 -0.24 -1.50 -1.08 0.00 0.00 175.30 173.02 1nez s ILE 9 N -0.36 1.94 -0.06 4.99 2.07 -1.26 -0.90 121.20 127.62 1nez s ILE 9 Ca 0.05 -1.30 -0.10 0.00 -1.41 0.00 0.00 60.65 57.89 1nez s ILE 9 Cb -0.12 -1.67 0.02 0.00 0.13 0.00 0.00 42.46 40.82 1nez s ILE 9 CO 0.02 0.31 0.25 0.72 -1.91 0.00 0.00 174.94 174.34 1nez s PHE 10 N -0.79 -0.20 1.01 3.50 -0.12 -0.73 -4.51 117.98 116.14 1nez s PHE 10 Ca 0.10 0.44 -0.17 0.00 -0.05 0.00 0.00 56.93 57.25 1nez s PHE 10 Cb -0.09 0.07 0.24 0.00 -0.63 0.00 0.00 43.02 42.61 1nez s PHE 10 CO 0.02 -0.23 1.09 -0.35 -0.05 0.00 0.00 175.22 175.70 1nez n PRO 11 N 2.25 -2.13 0.20 1.99 -0.04 -1.26 -0.93 135.00 135.08 1nez n PRO 11 Ca -0.17 -1.71 0.09 0.00 -0.04 0.00 0.00 63.50 61.67 1nez n PRO 11 Cb 0.57 -1.37 0.26 0.00 -0.04 0.00 0.00 33.50 32.92 1nez n PRO 11 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1nez h LYS 12 N 0.00 0.00 -2.55 0.54 2.10 -1.98 -3.47 116.57 111.20 1nez h LYS 12 Ca -0.38 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.37 1nez h LYS 12 Cb 1.11 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.33 1nez h LYS 12 CO 0.26 0.22 0.39 -1.59 -2.00 0.00 0.00 179.45 176.73 1nez s LYS 13 N -3.30 1.21 -0.12 0.07 -2.85 -1.26 -4.29 119.74 109.19 1nez s LYS 13 Ca 0.04 -0.58 -0.05 0.00 -1.00 0.00 0.00 55.97 54.37 1nez s LYS 13 Cb 0.08 0.47 0.06 0.00 -2.06 0.00 0.00 37.83 36.37 1nez s LYS 13 CO 0.67 -0.54 0.27 1.41 0.10 0.00 0.00 175.35 177.25 1nez s MET 14 N -3.43 0.18 -0.48 1.78 1.75 0.34 -4.96 119.30 114.48 1nez s MET 14 Ca 0.08 0.68 -0.07 0.00 -1.25 0.00 0.00 55.69 55.13 1nez s MET 14 Cb -0.02 -0.06 0.13 0.00 2.84 0.00 0.00 34.83 37.72 1nez s MET 14 CO -0.03 -0.24 0.34 -0.51 -0.65 0.00 0.00 175.02 173.93 1nez s ASP 15 N 1.98 5.59 -0.06 1.11 1.01 -1.26 -1.56 116.67 123.48 1nez s ASP 15 Ca -0.03 -2.06 -0.06 0.00 0.71 0.00 0.00 52.55 51.11 1nez s ASP 15 Cb -0.11 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 1nez s ASP 15 CO -0.09 -0.62 0.19 0.00 0.21 0.00 0.00 175.17 174.86 1nez s ALA 16 N 1.13 3.89 0.01 5.23 0.00 -0.14 -4.70 121.76 127.18 1nez s ALA 16 Ca 0.08 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 1nez s ALA 16 Cb -0.24 -1.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 1nez s ALA 16 CO -0.02 0.66 0.39 -1.21 0.00 0.00 0.00 175.76 175.58 1nez s GLU 17 N -1.47 3.86 0.21 0.00 2.02 -1.26 -0.08 118.70 121.98 1nez s GLU 17 Ca 0.22 0.34 -0.32 0.00 0.02 0.00 0.00 54.97 55.22 1nez s GLU 17 Cb -0.13 -3.18 -0.14 0.00 0.10 0.00 0.00 34.13 30.78 1nez s GLU 17 CO 0.11 0.68 1.30 1.28 0.02 0.00 0.00 175.26 178.66 1nez n LEU 18 N 1.67 2.44 0.00 1.80 4.77 -1.26 -1.54 117.00 124.88 1nez n LEU 18 Ca -0.13 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 1nez n LEU 18 Cb 0.53 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1nez n LEU 18 CO 0.38 -0.83 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1nez n GLY 19 N 2.10 2.07 3.88 -0.72 0.00 0.11 -4.91 105.19 107.72 1nez n GLY 19 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1nez n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nez s GLN 20 N -0.51 3.71 0.31 1.61 -2.07 -0.59 -4.10 119.66 118.02 1nez s GLN 20 Ca 0.00 0.54 -0.15 0.00 -1.82 0.00 0.00 55.36 53.93 1nez s GLN 20 Cb 0.00 -2.27 -0.09 0.00 -1.09 0.00 0.00 33.01 29.56 1nez s GLN 20 CO 0.00 -0.24 0.74 0.15 -1.32 0.00 0.00 175.29 174.62 1nez s LYS 21 N -4.42 4.03 -0.07 9.60 1.02 -1.26 0.69 119.74 129.33 1nez s LYS 21 Ca 0.52 0.69 -0.03 0.00 0.02 0.00 0.00 55.97 57.17 1nez s LYS 21 Cb -0.10 -2.47 0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1nez s LYS 21 CO 0.40 0.18 0.16 0.54 -0.92 0.00 0.00 175.35 175.71 1nez s VAL 22 N -1.94 -0.05 -0.12 3.17 0.11 -0.43 -4.94 120.40 116.20 1nez s VAL 22 Ca 0.53 0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 59.71 1nez s VAL 22 Cb -0.11 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1nez s VAL 22 CO 0.18 0.07 0.04 -1.81 -3.33 0.00 0.00 175.10 170.24 1nez s ASP 23 N 1.15 5.52 -0.06 3.54 1.01 -1.26 -0.12 116.67 126.45 1nez s ASP 23 Ca -0.09 0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.40 1nez s ASP 23 Cb -0.11 -1.73 -0.01 0.00 1.01 0.00 0.00 42.92 42.08 1nez s ASP 23 CO -0.06 0.32 -0.24 -0.76 0.21 0.00 0.00 175.17 174.64 1nez s LEU 24 N -0.52 2.05 0.01 1.23 1.43 0.22 -4.42 118.68 118.67 1nez s LEU 24 Ca 0.10 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1nez s LEU 24 Cb -0.12 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1nez s LEU 24 CO 0.02 0.23 -0.18 -0.69 0.23 0.00 0.00 176.35 175.96 1nez s VAL 25 N -0.14 1.42 -0.08 -1.59 1.01 -0.10 -0.69 120.40 120.23 1nez s VAL 25 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1nez s VAL 25 Cb -0.13 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1nez s VAL 25 CO 0.03 0.27 -0.06 0.00 0.00 0.00 0.00 175.10 175.34 1nez s GLU 27 N 1.38 3.64 -0.37 0.00 2.12 -0.08 0.53 118.70 125.92 1nez s GLU 27 Ca -0.02 -0.49 -0.15 0.00 0.36 0.00 0.00 54.97 54.67 1nez s GLU 27 Cb -0.14 -3.24 -0.00 0.00 0.26 0.00 0.00 34.13 31.02 1nez s GLU 27 CO -0.03 -0.12 0.32 0.54 -0.54 0.00 0.00 175.26 175.42 1nez s VAL 28 N 1.41 5.22 -0.25 3.70 0.11 -0.36 -1.29 120.40 128.92 1nez s VAL 28 Ca 0.05 -0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 58.75 1nez s VAL 28 Cb -0.15 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.82 1nez s VAL 28 CO 0.02 -0.16 0.15 -0.76 -3.33 0.00 0.00 175.10 171.02 1nez s LEU 29 N 1.86 3.92 0.00 2.54 1.43 0.13 -4.87 118.68 123.68 1nez s LEU 29 Ca 0.08 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1nez s LEU 29 Cb -0.17 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1nez s LEU 29 CO 0.11 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1nez n GLY 30 N 4.65 0.77 3.37 -3.19 0.00 -1.26 0.14 105.19 109.67 1nez n GLY 30 Ca -0.15 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 1nez n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nez s SER 31 N -3.70 5.26 0.01 1.61 0.15 -1.26 -5.01 113.70 110.76 1nez s SER 31 Ca 0.00 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.00 1nez s SER 31 Cb 0.00 -1.92 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1nez s SER 31 CO 0.00 -0.20 -0.04 0.68 1.20 0.00 0.00 173.24 174.88 1nez s VAL 32 N 1.53 0.28 -0.13 4.45 -7.23 -1.26 -4.81 120.40 113.23 1nez s VAL 32 Ca 0.03 -0.42 0.19 0.00 -1.81 0.00 0.00 61.98 59.98 1nez s VAL 32 Cb -0.17 -0.29 -0.17 0.00 0.56 0.00 0.00 36.38 36.30 1nez s VAL 32 CO 0.04 -0.09 0.67 -1.20 -0.31 0.00 0.00 175.10 174.21 1nez n SER 33 N 2.53 0.55 -4.98 4.85 7.64 -1.26 -4.96 113.62 117.98 1nez n SER 33 Ca -0.16 0.24 -0.20 0.00 1.01 0.00 0.00 58.87 59.76 1nez n SER 33 Cb 0.58 0.71 0.02 0.00 -1.01 0.00 0.00 64.21 64.50 1nez n SER 33 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1nez s GLN 34 N -3.05 2.84 0.19 1.43 -0.21 -1.26 -4.34 119.66 115.25 1nez s GLN 34 Ca -0.05 -0.89 -0.03 0.00 0.02 0.00 0.00 55.36 54.41 1nez s GLN 34 Cb 0.09 -2.64 0.04 0.00 1.00 0.00 0.00 33.01 31.51 1nez s GLN 34 CO 0.83 -0.35 0.24 0.41 -2.12 0.00 0.00 175.29 174.30 1nez n GLY 35 N -2.01 -1.44 3.63 3.09 0.00 -1.26 -4.49 105.19 102.71 1nez n GLY 35 Ca 0.05 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1nez n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nez s SER 37 N -1.15 3.79 -0.15 0.00 0.01 -0.01 -0.78 113.70 115.41 1nez s SER 37 Ca 0.15 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 1nez s SER 37 Cb -0.11 -0.68 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 1nez s SER 37 CO 0.05 0.30 -0.03 0.26 0.41 0.00 0.00 173.24 174.23 1nez s TRP 38 N -0.80 3.03 0.22 2.43 0.52 -0.02 0.03 118.94 124.36 1nez s TRP 38 Ca 0.13 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.00 1nez s TRP 38 Cb -0.10 -1.94 -0.05 0.00 -1.15 0.00 0.00 33.47 30.22 1nez s TRP 38 CO 0.02 0.01 0.08 -0.51 0.02 0.00 0.00 176.95 176.57 1nez s LEU 39 N 0.26 1.68 -0.08 2.99 1.43 0.23 -0.59 118.68 124.61 1nez s LEU 39 Ca -0.03 -1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 51.45 1nez s LEU 39 Cb -0.14 0.08 0.10 0.00 0.03 0.00 0.00 46.19 46.26 1nez s LEU 39 CO 0.03 -0.71 0.83 0.72 0.23 0.00 0.00 176.35 177.45 1nez s PHE 40 N -3.81 -0.49 -0.18 0.29 -0.12 -0.83 -1.31 117.98 111.52 1nez s PHE 40 Ca 0.34 0.76 -0.04 0.00 -0.05 0.00 0.00 56.93 57.94 1nez s PHE 40 Cb 0.07 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1nez s PHE 40 CO 0.10 -0.51 -0.04 -0.65 -0.05 0.00 0.00 175.22 174.07 1nez s GLN 41 N -1.56 3.54 0.65 1.99 -0.21 -0.83 -0.37 119.66 122.86 1nez s GLN 41 Ca -0.04 -0.57 -0.17 0.00 0.02 0.00 0.00 55.36 54.59 1nez s GLN 41 Cb -0.00 -2.94 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 1nez s GLN 41 CO 0.03 0.06 1.22 0.54 -2.12 0.00 0.00 175.29 175.02 1nez s ASN 42 N 0.83 4.75 -0.03 5.90 4.22 -1.26 -1.73 114.94 127.60 1nez s ASN 42 Ca -0.01 2.41 -0.12 0.00 -2.14 0.00 0.00 52.86 53.00 1nez s ASN 42 Cb -0.15 -2.60 -0.32 0.00 1.28 0.00 0.00 41.25 39.47 1nez s ASN 42 CO 0.02 -1.89 0.73 0.77 -2.04 0.00 0.00 177.10 174.68 1nez h SER 43 N 0.40 0.66 -2.26 3.54 4.64 -1.90 -3.39 113.55 115.24 1nez h SER 43 Ca -0.50 -0.93 -0.74 0.00 -0.47 0.00 0.00 61.79 59.16 1nez h SER 43 Cb 1.30 -0.22 -0.18 0.00 -0.31 0.00 0.00 62.40 63.00 1nez h SER 43 CO 0.53 1.78 1.28 -0.44 -0.87 0.00 0.00 176.83 179.10 1nez s SER 44 N -7.35 7.06 -0.30 4.97 0.01 -1.26 -4.81 113.70 112.03 1nez s SER 44 Ca -0.15 -2.98 -0.17 0.00 1.31 0.00 0.00 55.95 53.96 1nez s SER 44 Cb 0.05 -2.39 0.19 0.00 0.21 0.00 0.00 66.02 64.08 1nez s SER 44 CO 0.87 -0.73 1.19 -0.55 0.41 0.00 0.00 173.24 174.43 1nez s SER 45 N 2.78 -0.19 0.00 2.44 0.15 -1.26 -5.12 113.70 112.50 1nez s SER 45 Ca 0.41 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1nez s SER 45 Cb -0.03 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1nez s SER 45 CO -0.01 -0.05 0.44 0.29 1.20 0.00 0.00 173.24 175.11 1nez n LYS 46 N 3.13 0.00 -1.70 5.44 5.02 -1.26 -4.55 118.16 124.24 1nez n LYS 46 Ca -0.17 0.19 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 1nez n LYS 46 Cb 0.57 -1.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.54 1nez n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nez s LEU 47 N -2.12 3.40 -0.04 -0.35 1.43 -1.26 -4.85 118.68 114.89 1nez s LEU 47 Ca 0.00 1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 54.03 1nez s LEU 47 Cb 0.00 -2.86 -0.28 0.00 0.03 0.00 0.00 46.19 43.08 1nez s LEU 47 CO 0.00 -2.45 1.48 -0.81 0.23 0.00 0.00 176.35 174.79 1nez n PRO 48 N 8.92 0.09 -2.96 1.29 -0.04 -1.26 -4.92 135.00 136.12 1nez n PRO 48 Ca 0.31 -0.93 -0.41 0.00 -0.04 0.00 0.00 63.50 62.42 1nez n PRO 48 Cb 0.51 -2.41 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 1nez n PRO 48 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1nez s GLN 49 N 6.43 4.18 0.70 0.54 0.74 -1.26 -5.02 119.66 125.98 1nez s GLN 49 Ca 0.53 0.83 -0.16 0.00 0.05 0.00 0.00 55.36 56.61 1nez s GLN 49 Cb 0.12 -3.64 0.02 0.00 1.10 0.00 0.00 33.01 30.61 1nez s GLN 49 CO 0.26 -0.46 1.26 -2.14 -0.55 0.00 0.00 175.29 173.66 1nez s PRO 50 N 2.65 2.22 -0.18 1.67 0.02 -1.26 -4.64 135.00 135.48 1nez s PRO 50 Ca 0.33 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1nez s PRO 50 Cb -0.15 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.56 1nez s PRO 50 CO 0.08 -1.82 -0.18 0.99 -0.33 0.00 0.00 177.00 175.74 1nez s THR 51 N -1.66 2.29 0.20 0.99 2.01 0.50 -4.97 115.64 115.00 1nez s THR 51 Ca 0.79 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1nez s THR 51 Cb -0.34 -1.97 -0.08 0.00 0.01 0.00 0.00 72.50 70.12 1nez s THR 51 CO 0.44 0.52 1.12 0.12 -0.69 0.00 0.00 174.62 176.13 1nez s PHE 52 N 1.22 3.55 -0.12 4.92 5.36 -1.26 -1.97 117.98 129.68 1nez s PHE 52 Ca 0.03 1.58 -0.10 0.00 -0.96 0.00 0.00 56.93 57.48 1nez s PHE 52 Cb -0.14 -3.32 -0.05 0.00 -0.34 0.00 0.00 43.02 39.17 1nez s PHE 52 CO -0.09 -0.74 -0.22 0.28 -1.46 0.00 0.00 175.22 172.99 1nez n VAL 53 N 2.11 1.21 -3.49 3.12 0.31 0.25 -4.63 118.33 117.20 1nez n VAL 53 Ca 0.02 0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 1nez n VAL 53 Cb 0.45 -1.92 -0.02 0.00 -0.91 0.00 0.00 33.84 31.44 1nez n VAL 53 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1nez s VAL 54 N -2.46 0.01 -0.02 2.52 1.01 -1.19 -1.50 120.40 118.78 1nez s VAL 54 Ca -0.21 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1nez s VAL 54 Cb 0.05 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1nez s VAL 54 CO 0.28 -0.05 -0.06 -0.47 0.00 0.00 0.00 175.10 174.80 1nez s TYR 55 N -3.77 0.69 -0.12 5.22 5.04 -0.17 -0.84 117.35 123.40 1nez s TYR 55 Ca 0.02 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1nez s TYR 55 Cb -0.01 -0.52 0.01 0.00 0.35 0.00 0.00 41.96 41.79 1nez s TYR 55 CO -0.11 -0.08 -0.21 -1.64 -1.34 0.00 0.00 175.55 172.17 1nez s MET 56 N 0.25 2.81 0.68 4.97 -1.94 0.04 -1.02 119.30 125.08 1nez s MET 56 Ca -0.03 -0.78 -0.15 0.00 -1.71 0.00 0.00 55.69 53.02 1nez s MET 56 Cb -0.07 -2.26 0.01 0.00 2.01 0.00 0.00 34.83 34.52 1nez s MET 56 CO -0.00 0.01 1.15 0.00 -0.01 0.00 0.00 175.02 176.17 1nez s ALA 57 N 0.76 2.35 -0.24 3.03 0.00 -0.18 -1.31 121.76 126.17 1nez s ALA 57 Ca -0.09 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 1nez s ALA 57 Cb -0.16 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.42 1nez s ALA 57 CO 0.00 -1.47 -0.09 0.45 0.00 0.00 0.00 175.76 174.66 1nez n SER 58 N -2.47 1.96 0.01 0.00 2.88 -1.26 -4.59 113.62 110.16 1nez n SER 58 Ca 0.12 0.23 0.13 0.00 -1.33 0.00 0.00 58.87 58.02 1nez n SER 58 Cb 0.51 -0.77 0.48 0.00 -0.75 0.00 0.00 64.21 63.68 1nez n SER 58 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1nez n SER 59 N -3.96 0.25 -3.24 -3.46 3.41 -1.26 -4.91 113.62 100.44 1nez n SER 59 Ca -0.44 0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.32 1nez n SER 59 Cb 0.89 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1nez n SER 59 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1nez s HIS 60 N -3.02 0.86 -0.49 7.33 0.00 -1.26 -5.12 115.29 113.59 1nez s HIS 60 Ca 0.12 -1.18 -0.15 0.00 -3.00 0.00 0.00 55.06 50.86 1nez s HIS 60 Cb 0.18 0.08 0.10 0.00 -4.00 0.00 0.00 32.58 28.94 1nez s HIS 60 CO 0.59 -1.20 0.42 1.21 -1.00 0.00 0.00 174.74 174.76 1nez s ASN 61 N -3.20 6.09 -0.25 7.38 3.84 -1.26 -4.54 114.94 123.00 1nez s ASN 61 Ca 0.27 -1.56 -0.14 0.00 0.21 0.00 0.00 52.86 51.65 1nez s ASN 61 Cb -0.01 -2.16 0.08 0.00 -0.55 0.00 0.00 41.25 38.60 1nez s ASN 61 CO 0.18 -0.72 0.61 -0.75 -2.79 0.00 0.00 177.10 173.63 1nez s LYS 62 N 1.59 0.62 -0.07 0.43 2.20 -1.26 -5.03 119.74 118.21 1nez s LYS 62 Ca 0.04 1.13 0.06 0.00 -0.36 0.00 0.00 55.97 56.83 1nez s LYS 62 Cb -0.26 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.20 1nez s LYS 62 CO 0.04 -0.16 -0.24 0.42 -0.36 0.00 0.00 175.35 175.05 1nez s ILE 63 N 1.68 2.12 -0.15 5.43 1.01 -1.26 -1.01 121.20 129.02 1nez s ILE 63 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1nez s ILE 63 Cb -0.06 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.65 1nez s ILE 63 CO -0.18 0.57 -0.14 -0.89 0.00 0.00 0.00 174.94 174.29 1nez s THR 64 N -0.09 1.59 0.19 2.92 2.01 -0.19 -4.98 115.64 117.08 1nez s THR 64 Ca -0.06 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.34 1nez s THR 64 Cb -0.14 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1nez s THR 64 CO 0.04 0.46 0.30 0.26 -0.69 0.00 0.00 174.62 175.00 1nez s TRP 65 N 1.47 3.44 0.04 4.92 0.52 -1.26 -1.00 118.94 127.07 1nez s TRP 65 Ca 0.05 0.05 -0.30 0.00 0.02 0.00 0.00 56.10 55.91 1nez s TRP 65 Cb -0.13 -1.61 -0.07 0.00 -1.15 0.00 0.00 33.47 30.51 1nez s TRP 65 CO -0.11 0.49 1.63 0.34 0.02 0.00 0.00 176.95 179.32 1nez s ASP 66 N -3.54 6.64 0.00 2.95 -1.08 -0.56 -4.87 116.67 116.22 1nez s ASP 66 Ca 0.34 2.39 0.21 0.00 -0.52 0.00 0.00 52.55 54.98 1nez s ASP 66 Cb -0.10 -2.56 0.44 0.00 -1.46 0.00 0.00 42.92 39.24 1nez s ASP 66 CO 0.28 -0.88 1.38 -0.62 0.52 0.00 0.00 175.17 175.86 1nez n GLU 67 N 5.91 2.48 -0.03 4.34 1.02 -1.26 -2.52 120.64 130.58 1nez n GLU 67 Ca 0.16 -2.28 -0.15 0.00 -0.02 0.00 0.00 57.16 54.86 1nez n GLU 67 Cb 0.41 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 1nez n GLU 67 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1nez h LYS 68 N 4.07 0.16 -0.04 3.49 1.57 -1.97 -3.32 116.57 120.54 1nez h LYS 68 Ca 0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1nez h LYS 68 Cb 0.93 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1nez h LYS 68 CO 0.00 0.94 0.00 1.28 -0.57 0.00 0.00 179.45 181.10 1nez n LEU 69 N -4.50 2.70 -3.62 2.94 4.77 -1.26 -4.98 117.00 113.04 1nez n LEU 69 Ca -0.10 -1.02 -0.22 0.00 -0.03 0.00 0.00 56.01 54.64 1nez n LEU 69 Cb 0.52 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1nez n LEU 69 CO 0.39 0.47 -0.05 0.59 -1.33 0.00 0.00 177.39 177.46 1nez n ASN 70 N 1.14 -2.92 0.17 -1.43 3.02 -1.12 -4.84 115.26 109.27 1nez n ASN 70 Ca 0.12 -0.84 0.12 0.00 -0.03 0.00 0.00 54.58 53.94 1nez n ASN 70 Cb 0.50 -4.11 0.60 0.00 -0.61 0.00 0.00 39.78 36.17 1nez n ASN 70 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1nez h SER 71 N -1.75 0.00 0.70 6.41 0.02 -1.81 -2.37 113.55 114.75 1nez h SER 71 Ca -0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 1nez h SER 71 Cb 1.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 1nez h SER 71 CO 0.53 0.00 -0.05 0.77 -1.14 0.00 0.00 176.83 176.93 1nez h SER 72 N 0.00 0.00 1.33 3.07 4.64 -1.84 -1.80 113.55 118.95 1nez h SER 72 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1nez h SER 72 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1nez h SER 72 CO 0.00 0.05 -0.21 0.11 -0.87 0.00 0.00 176.83 175.91 1nez h LYS 73 N 0.00 0.00 0.00 4.77 1.57 -1.78 -3.35 116.57 117.78 1nez h LYS 73 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nez h LYS 73 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1nez h LYS 73 CO 0.01 0.21 -0.56 1.28 -0.57 0.00 0.00 179.45 179.82 1nez n LEU 74 N -3.24 0.39 -4.34 2.94 4.77 -0.74 -5.03 117.00 111.76 1nez n LEU 74 Ca 0.02 -0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 55.38 1nez n LEU 74 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1nez n LEU 74 CO 0.34 0.10 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.76 1nez s PHE 75 N -1.97 1.61 0.06 -1.77 0.40 -0.85 -2.04 117.98 113.41 1nez s PHE 75 Ca 0.03 -0.76 0.07 0.00 -0.60 0.00 0.00 56.93 55.67 1nez s PHE 75 Cb 0.07 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.71 1nez s PHE 75 CO 0.39 0.15 -0.19 -1.12 0.70 0.00 0.00 175.22 175.14 1nez s SER 76 N -3.31 2.30 -0.01 1.36 0.01 -1.00 -4.71 113.70 108.34 1nez s SER 76 Ca 0.25 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.97 1nez s SER 76 Cb 0.03 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1nez s SER 76 CO 0.07 0.11 -0.01 0.00 0.41 0.00 0.00 173.24 173.82 1nez s ALA 77 N -0.89 0.26 0.15 1.44 0.00 -1.26 -1.84 121.76 119.61 1nez s ALA 77 Ca 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 1nez s ALA 77 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1nez s ALA 77 CO 0.02 -0.00 0.23 0.00 0.00 0.00 0.00 175.76 176.01 1nez s MET 78 N 0.45 1.09 -0.05 0.00 0.23 0.12 -4.99 119.30 116.15 1nez s MET 78 Ca -0.04 -1.21 -0.10 0.00 -1.03 0.00 0.00 55.69 53.31 1nez s MET 78 Cb -0.07 0.35 0.02 0.00 -1.53 0.00 0.00 34.83 33.60 1nez s MET 78 CO -0.01 -0.38 0.24 0.50 -2.03 0.00 0.00 175.02 173.34 1nez s ARG 79 N -3.97 0.45 0.34 3.16 3.52 -1.26 0.99 118.95 122.17 1nez s ARG 79 Ca 0.17 -0.00 0.08 0.00 -0.13 0.00 0.00 55.73 55.85 1nez s ARG 79 Cb 0.04 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 1nez s ARG 79 CO -0.01 -0.10 0.27 0.16 -0.81 0.00 0.00 175.30 174.82 1nez s ASP 80 N -0.68 5.17 0.00 -2.12 -4.77 -0.64 -4.99 116.67 108.64 1nez s ASP 80 Ca -0.08 -0.55 0.03 0.00 -3.30 0.00 0.00 52.55 48.65 1nez s ASP 80 Cb -0.04 -0.92 0.15 0.00 -1.09 0.00 0.00 42.92 41.02 1nez s ASP 80 CO 0.02 -0.35 0.96 0.35 0.70 0.00 0.00 175.17 176.84 1nez n THR 81 N -1.34 1.23 -1.37 2.11 -2.24 -1.26 -2.26 114.28 109.14 1nez n THR 81 Ca -0.02 0.31 -0.17 0.00 -2.27 0.00 0.00 64.05 61.90 1nez n THR 81 Cb 0.60 -1.26 0.17 0.00 -2.10 0.00 0.00 70.33 67.75 1nez n THR 81 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1nez n ASN 82 N -1.34 3.65 -3.74 3.42 3.02 -1.26 -4.96 115.26 114.05 1nez n ASN 82 Ca 0.01 -3.71 -0.25 0.00 -0.03 0.00 0.00 54.58 50.60 1nez n ASN 82 Cb 0.03 -0.75 0.05 0.00 -0.61 0.00 0.00 39.78 38.49 1nez n ASN 82 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1nez n ASN 83 N -1.10 -3.89 -4.14 6.41 4.13 -0.96 -4.84 115.26 110.88 1nez n ASN 83 Ca 0.49 -0.72 -0.33 0.00 1.68 0.00 0.00 54.58 55.69 1nez n ASN 83 Cb 1.29 -4.30 -0.15 0.00 -1.54 0.00 0.00 39.78 35.08 1nez n ASN 83 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1nez s LYS 84 N -6.26 2.85 -0.14 3.52 1.02 -1.25 -1.23 119.74 118.24 1nez s LYS 84 Ca 0.41 -0.94 -0.04 0.00 0.02 0.00 0.00 55.97 55.41 1nez s LYS 84 Cb -0.20 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1nez s LYS 84 CO 0.79 -0.31 0.02 0.71 -0.92 0.00 0.00 175.35 175.65 1nez s TYR 85 N 1.27 3.18 -0.06 3.18 1.51 0.19 -1.61 117.35 125.01 1nez s TYR 85 Ca 0.02 0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 1nez s TYR 85 Cb -0.15 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1nez s TYR 85 CO -0.09 0.25 -0.20 0.08 -1.11 0.00 0.00 175.55 174.47 1nez s VAL 86 N -0.16 2.48 -0.14 0.71 1.01 0.28 -0.36 120.40 124.21 1nez s VAL 86 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1nez s VAL 86 Cb -0.12 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1nez s VAL 86 CO 0.02 0.57 -0.11 -0.22 0.00 0.00 0.00 175.10 175.36 1nez s LEU 87 N -0.31 1.52 -0.16 3.92 2.96 0.13 -0.71 118.68 126.04 1nez s LEU 87 Ca 0.02 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1nez s LEU 87 Cb -0.13 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.54 1nez s LEU 87 CO 0.02 -0.09 -0.18 0.42 -1.32 0.00 0.00 176.35 175.20 1nez s THR 88 N 1.58 2.33 -0.33 3.68 -4.23 -0.77 -0.61 115.64 117.28 1nez s THR 88 Ca 0.04 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 59.39 1nez s THR 88 Cb -0.13 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.75 1nez s THR 88 CO -0.09 0.53 1.31 -0.76 -0.54 0.00 0.00 174.62 175.06 1nez s LEU 89 N 0.97 3.81 0.35 4.79 1.02 0.83 -2.39 118.68 128.07 1nez s LEU 89 Ca -0.03 1.08 0.10 0.00 0.02 0.00 0.00 54.13 55.30 1nez s LEU 89 Cb -0.15 -3.54 0.67 0.00 0.02 0.00 0.00 46.19 43.19 1nez s LEU 89 CO -0.04 -1.15 1.82 0.78 0.02 0.00 0.00 176.35 177.78 1nez h ASN 90 N 9.53 0.16 -1.65 2.29 -0.26 -1.71 -1.12 115.58 122.82 1nez h ASN 90 Ca -0.26 -0.05 -0.18 0.00 -0.56 0.00 0.00 56.30 55.25 1nez h ASN 90 Cb 1.10 -0.04 -0.28 0.00 -1.06 0.00 0.00 38.32 38.03 1nez h ASN 90 CO 1.05 0.46 -0.53 -0.75 -1.06 0.00 0.00 177.43 176.60 1nez s LYS 91 N -4.39 0.44 0.18 0.81 2.20 -1.26 -3.98 119.74 113.75 1nez s LYS 91 Ca -0.04 0.13 -0.33 0.00 -0.36 0.00 0.00 55.97 55.36 1nez s LYS 91 Cb 0.14 -0.27 -0.13 0.00 -1.51 0.00 0.00 37.83 36.06 1nez s LYS 91 CO 0.74 -1.04 1.60 0.34 -0.36 0.00 0.00 175.35 176.62 1nez n PHE 92 N 5.32 2.39 -4.14 4.03 7.35 0.22 -4.68 117.46 127.95 1nez n PHE 92 Ca 0.01 0.23 -0.10 0.00 -0.76 0.00 0.00 57.45 56.84 1nez n PHE 92 Cb 0.50 -2.57 -0.10 0.00 0.35 0.00 0.00 39.48 37.66 1nez n PHE 92 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1nez s SER 93 N 0.90 0.93 0.40 -2.13 1.04 -1.26 0.10 113.70 113.68 1nez s SER 93 Ca 0.77 -0.98 0.17 0.00 0.48 0.00 0.00 55.95 56.38 1nez s SER 93 Cb -0.63 0.12 1.06 0.00 0.10 0.00 0.00 66.02 66.67 1nez s SER 93 CO 0.38 -0.49 1.81 0.50 0.98 0.00 0.00 173.24 176.42 1nez h LYS 94 N 3.09 0.42 0.00 4.02 1.63 -1.98 0.17 116.57 123.92 1nez h LYS 94 Ca -0.35 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1nez h LYS 94 Cb 1.16 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1nez h LYS 94 CO 0.64 0.28 0.00 0.39 -3.45 0.00 0.00 179.45 177.31 1nez n GLU 95 N -4.57 0.11 0.00 1.90 4.71 -1.26 -1.58 120.64 119.94 1nez n GLU 95 Ca 0.22 0.41 0.11 0.00 -0.01 0.00 0.00 57.16 57.88 1nez n GLU 95 Cb 0.76 -1.73 0.04 0.00 -1.01 0.00 0.00 31.44 29.50 1nez n GLU 95 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1nez n ASN 96 N -1.94 2.37 -4.72 1.62 3.02 0.59 -4.98 115.26 111.22 1nez n ASN 96 Ca 0.02 -1.69 -0.42 0.00 -0.03 0.00 0.00 54.58 52.46 1nez n ASN 96 Cb 0.16 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1nez n ASN 96 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1nez s GLU 97 N -2.06 4.24 0.00 3.52 2.12 -0.62 -4.91 118.70 121.00 1nez s GLU 97 Ca 0.21 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.85 1nez s GLU 97 Cb 0.17 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.41 1nez s GLU 97 CO 0.40 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 1nez n GLY 98 N 3.29 -1.31 3.32 -1.50 0.00 -0.67 -3.22 105.19 105.11 1nez n GLY 98 Ca 0.12 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1nez n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nez s TYR 99 N -2.86 3.28 0.27 1.61 2.02 -0.71 0.11 117.35 121.07 1nez s TYR 99 Ca 0.00 -1.25 -0.04 0.00 -0.37 0.00 0.00 57.07 55.41 1nez s TYR 99 Cb 0.00 -2.66 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 1nez s TYR 99 CO 0.00 -0.75 0.52 0.71 -1.57 0.00 0.00 175.55 174.46 1nez s TYR 100 N 1.49 3.48 0.06 2.71 1.51 0.14 -1.96 117.35 124.78 1nez s TYR 100 Ca 0.02 0.57 -0.26 0.00 -1.01 0.00 0.00 57.07 56.38 1nez s TYR 100 Cb -0.21 -2.04 0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1nez s TYR 100 CO 0.04 0.22 0.66 -0.59 -1.11 0.00 0.00 175.55 174.77 1nez s PHE 101 N -2.04 -0.56 0.32 2.71 -0.71 -0.42 -0.03 117.98 117.25 1nez s PHE 101 Ca 0.43 0.61 0.08 0.00 -1.04 0.00 0.00 56.93 57.00 1nez s PHE 101 Cb -0.11 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 1nez s PHE 101 CO 0.30 -0.73 0.22 0.00 -1.34 0.00 0.00 175.22 173.67 1nez s SER 103 N -3.91 -0.16 0.02 0.00 0.15 0.10 -1.88 113.70 108.02 1nez s SER 103 Ca 0.38 0.21 0.01 0.00 0.70 0.00 0.00 55.95 57.26 1nez s SER 103 Cb -0.05 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.62 1nez s SER 103 CO 0.25 -0.22 -0.05 0.68 1.20 0.00 0.00 173.24 175.10 1nez s VAL 104 N -0.55 0.30 -0.14 4.45 -7.23 -0.72 -0.83 120.40 115.68 1nez s VAL 104 Ca -0.06 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.42 1nez s VAL 104 Cb -0.04 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.53 1nez s VAL 104 CO 0.01 -0.25 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.82 1nez s ILE 105 N -0.92 3.27 -0.05 -0.62 1.01 -1.26 -0.40 121.20 122.23 1nez s ILE 105 Ca -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1nez s ILE 105 Cb -0.07 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 40.03 1nez s ILE 105 CO -0.00 0.51 0.03 -0.55 0.00 0.00 0.00 174.94 174.93 1nez s SER 106 N 0.45 1.15 -1.33 3.58 0.15 -0.65 -4.39 113.70 112.65 1nez s SER 106 Ca -0.08 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 1nez s SER 106 Cb -0.15 -0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1nez s SER 106 CO 0.04 -0.21 0.57 0.59 1.20 0.00 0.00 173.24 175.44 1nez n ASN 107 N 5.05 -1.25 0.00 5.45 5.03 -1.26 -2.01 115.26 126.27 1nez n ASN 107 Ca -0.08 -0.93 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1nez n ASN 107 Cb 0.50 -3.51 0.00 0.00 -1.02 0.00 0.00 39.78 35.75 1nez n ASN 107 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1nez n SER 108 N -2.98 -2.63 -4.57 6.41 7.64 -1.26 -4.97 113.62 111.25 1nez n SER 108 Ca -0.28 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.26 1nez n SER 108 Cb 0.67 -2.19 -0.11 0.00 -1.01 0.00 0.00 64.21 61.57 1nez n SER 108 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nez s VAL 109 N -1.59 4.33 -0.18 0.44 1.01 -0.85 -5.08 120.40 118.49 1nez s VAL 109 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 1nez s VAL 109 Cb 0.00 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1nez s VAL 109 CO 0.00 0.48 0.73 -0.04 0.00 0.00 0.00 175.10 176.27 1nez s MET 110 N 0.34 4.26 -0.05 2.72 -1.94 -1.26 -1.64 119.30 121.72 1nez s MET 110 Ca -0.01 0.82 0.01 0.00 -1.71 0.00 0.00 55.69 54.81 1nez s MET 110 Cb -0.13 -3.57 -0.03 0.00 2.01 0.00 0.00 34.83 33.11 1nez s MET 110 CO 0.02 -0.27 -0.07 0.71 -0.01 0.00 0.00 175.02 175.40 1nez s TYR 111 N 1.98 2.93 0.08 -0.03 2.02 0.47 -4.99 117.35 119.81 1nez s TYR 111 Ca 0.34 0.01 0.10 0.00 -0.37 0.00 0.00 57.07 57.14 1nez s TYR 111 Cb -0.16 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1nez s TYR 111 CO 0.12 0.34 -0.25 -0.06 -1.57 0.00 0.00 175.55 174.13 1nez s PHE 112 N -0.85 2.36 0.58 2.71 0.40 -1.26 -1.75 117.98 120.17 1nez s PHE 112 Ca 0.13 -0.37 -0.08 0.00 -0.60 0.00 0.00 56.93 56.01 1nez s PHE 112 Cb -0.11 -1.34 0.13 0.00 0.51 0.00 0.00 43.02 42.21 1nez s PHE 112 CO 0.03 0.24 0.79 -1.13 0.70 0.00 0.00 175.22 175.85 1nez n SER 113 N 1.35 0.28 -4.78 1.36 3.41 -0.79 -4.77 113.62 109.68 1nez n SER 113 Ca -0.17 -1.42 -0.30 0.00 -0.26 0.00 0.00 58.87 56.72 1nez n SER 113 Cb 0.52 -0.59 0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1nez n SER 113 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1nez s SER 114 N -3.97 4.44 -0.12 4.04 0.01 -1.26 -4.79 113.70 112.05 1nez s SER 114 Ca 0.47 1.51 -0.20 0.00 1.31 0.00 0.00 55.95 59.03 1nez s SER 114 Cb -0.02 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1nez s SER 114 CO 0.32 -2.03 0.58 -0.69 0.41 0.00 0.00 173.24 171.84 1nez s VAL 115 N -3.04 5.11 -0.34 3.43 1.01 -1.26 -4.61 120.40 120.70 1nez s VAL 115 Ca 0.61 1.16 -0.10 0.00 0.00 0.00 0.00 61.98 63.65 1nez s VAL 115 Cb -0.16 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1nez s VAL 115 CO 0.55 0.25 0.17 -0.69 0.00 0.00 0.00 175.10 175.38 1nez s VAL 116 N 0.98 4.51 0.06 2.92 1.01 0.96 -4.91 120.40 125.93 1nez s VAL 116 Ca 0.30 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1nez s VAL 116 Cb -0.16 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1nez s VAL 116 CO 0.13 -0.07 1.17 -2.84 0.00 0.00 0.00 175.10 173.49 1nez s PRO 117 N 1.57 4.45 -0.46 2.72 0.02 -1.26 -0.68 135.00 141.36 1nez s PRO 117 Ca 0.03 1.73 0.04 0.00 0.02 0.00 0.00 61.00 62.82 1nez s PRO 117 Cb -0.18 -3.35 0.12 0.00 0.02 0.00 0.00 34.50 31.11 1nez s PRO 117 CO 0.06 -0.21 0.19 0.08 -0.33 0.00 0.00 177.00 176.79 1nez s VAL 118 N 0.96 2.41 0.10 3.83 1.01 0.12 -0.50 120.40 128.34 1nez s VAL 118 Ca 0.57 -2.97 0.08 0.00 0.00 0.00 0.00 61.98 59.67 1nez s VAL 118 Cb -0.29 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1nez s VAL 118 CO 0.30 -0.74 -0.16 -0.76 0.00 0.00 0.00 175.10 173.74 1nez s LEU 119 N 0.12 2.78 -0.03 3.92 1.43 -0.60 -1.67 118.68 124.63 1nez s LEU 119 Ca 0.15 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1nez s LEU 119 Cb -0.24 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 1nez s LEU 119 CO -0.03 0.19 1.58 -1.58 0.23 0.00 0.00 176.35 176.74 1nez s GLN 120 N -2.07 4.21 -0.04 1.70 0.74 -1.26 -0.97 119.66 121.97 1nez s GLN 120 Ca 0.18 2.14 -0.13 0.00 0.05 0.00 0.00 55.36 57.61 1nez s GLN 120 Cb -0.11 -3.83 -0.05 0.00 1.10 0.00 0.00 33.01 30.12 1nez s GLN 120 CO 0.10 -0.77 0.33 0.21 -0.55 0.00 0.00 175.29 174.62 1nez s LYS 121 N 3.46 3.81 -0.04 1.67 2.20 0.89 -4.85 119.74 126.88 1nez s LYS 121 Ca 0.70 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.28 1nez s LYS 121 Cb -0.33 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1nez s LYS 121 CO 0.28 0.69 1.08 0.08 -0.36 0.00 0.00 175.35 177.12 1nez s VAL 122 N -0.98 4.56 -0.01 4.02 1.01 -1.26 -4.58 120.40 123.16 1nez s VAL 122 Ca 0.21 1.85 -0.23 0.00 0.00 0.00 0.00 61.98 63.81 1nez s VAL 122 Cb -0.15 -4.19 -0.20 0.00 0.00 0.00 0.00 36.38 31.84 1nez s VAL 122 CO 0.11 0.06 1.16 0.28 0.00 0.00 0.00 175.10 176.70 1nez h SER 123 N 7.07 0.30 -3.65 3.32 0.02 -1.97 -3.46 113.55 115.19 1nez h SER 123 Ca -0.36 -0.66 -0.51 0.00 -0.84 0.00 0.00 61.79 59.43 1nez h SER 123 Cb 1.18 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1nez h SER 123 CO 0.83 0.91 0.21 -0.55 -1.14 0.00 0.00 176.83 177.09 1nez s SER 124 N -6.27 7.30 0.00 3.07 0.15 -1.26 -5.22 113.70 111.47 1nez s SER 124 Ca -0.15 1.65 0.08 0.00 0.70 0.00 0.00 55.95 58.23 1nez s SER 124 Cb 0.03 -2.50 0.49 0.00 -1.71 0.00 0.00 66.02 62.33 1nez s SER 124 CO 0.75 0.08 0.95 0.00 1.20 0.00 0.00 173.24 176.22