#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nb2 n GLU 3 N 0.00 1.60 -3.97 0.00 2.13 -1.13 -4.38 120.64 114.89 1nb2 n GLU 3 Ca 0.00 0.56 -0.22 0.00 0.66 0.00 0.00 57.16 58.16 1nb2 n GLU 3 Cb 0.00 -2.01 -0.04 0.00 0.27 0.00 0.00 31.44 29.66 1nb2 n GLU 3 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1nb2 s ARG 4 N -1.55 2.72 -0.19 5.31 0.52 -1.26 -2.67 118.95 121.84 1nb2 s ARG 4 Ca 0.59 -1.25 -0.15 0.00 -0.52 0.00 0.00 55.73 54.39 1nb2 s ARG 4 Cb -0.67 -2.45 0.05 0.00 0.52 0.00 0.00 34.95 32.40 1nb2 s ARG 4 CO 0.60 0.21 0.48 -0.08 0.02 0.00 0.00 175.30 176.53 1nb2 s THR 5 N -2.27 -0.01 -0.13 0.02 -1.32 -0.40 -4.65 115.64 106.89 1nb2 s THR 5 Ca 0.37 0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.72 1nb2 s THR 5 Cb -0.06 -0.69 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 1nb2 s THR 5 CO 0.25 0.01 0.37 0.12 -2.21 0.00 0.00 174.62 173.16 1nb2 s PHE 6 N 0.61 3.51 -0.25 9.09 5.36 -1.26 -0.57 117.98 134.47 1nb2 s PHE 6 Ca -0.03 0.74 -0.11 0.00 -0.96 0.00 0.00 56.93 56.58 1nb2 s PHE 6 Cb -0.05 -2.40 0.10 0.00 -0.34 0.00 0.00 43.02 40.33 1nb2 s PHE 6 CO -0.04 0.27 0.57 -0.48 -1.46 0.00 0.00 175.22 174.09 1nb2 s LEU 7 N 0.31 -0.82 0.34 6.12 0.05 -0.62 -2.30 118.68 121.77 1nb2 s LEU 7 Ca 0.21 1.33 0.08 0.00 0.05 0.00 0.00 54.13 55.79 1nb2 s LEU 7 Cb -0.14 1.97 -0.07 0.00 -2.05 0.00 0.00 46.19 45.90 1nb2 s LEU 7 CO 0.07 -0.22 -0.05 0.00 -0.55 0.00 0.00 176.35 175.60 1nb2 s MET 8 N 2.26 1.75 -0.38 1.48 0.23 -0.54 -1.93 119.30 122.17 1nb2 s MET 8 Ca -0.07 -1.92 -0.13 0.00 -1.03 0.00 0.00 55.69 52.53 1nb2 s MET 8 Cb -0.10 -1.45 0.01 0.00 -1.53 0.00 0.00 34.83 31.77 1nb2 s MET 8 CO -0.17 0.04 0.26 0.08 -2.03 0.00 0.00 175.02 173.20 1nb2 s VAL 9 N -2.82 5.13 0.77 5.16 1.01 -0.06 -0.42 120.40 129.17 1nb2 s VAL 9 Ca 0.32 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 1nb2 s VAL 9 Cb 0.05 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1nb2 s VAL 9 CO 0.15 -0.19 1.04 0.29 0.00 0.00 0.00 175.10 176.40 1nb2 n LYS 10 N 5.11 0.35 -0.26 2.72 5.02 0.10 -3.32 118.16 127.88 1nb2 n LYS 10 Ca -0.12 0.18 0.15 0.00 -2.02 0.00 0.00 58.31 56.51 1nb2 n LYS 10 Cb 0.48 -2.30 0.29 0.00 -0.02 0.00 0.00 35.03 33.48 1nb2 n LYS 10 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1nb2 n PRO 11 N -2.43 -0.06 0.17 1.97 -0.02 -1.23 -1.59 135.00 131.81 1nb2 n PRO 11 Ca 0.13 1.11 -0.15 0.00 -2.02 0.00 0.00 63.50 62.57 1nb2 n PRO 11 Cb 0.50 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.07 1nb2 n PRO 11 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1nb2 h ASP 12 N 0.00 -1.08 -1.00 2.55 -0.00 -1.88 -1.55 116.42 113.46 1nb2 h ASP 12 Ca 0.52 0.11 0.06 0.00 -0.00 0.00 0.00 57.03 57.71 1nb2 h ASP 12 Cb 1.17 0.39 -0.06 0.00 -0.00 0.00 0.00 39.33 40.83 1nb2 h ASP 12 CO -0.68 -0.49 0.65 1.23 -0.00 0.00 0.00 179.24 179.95 1nb2 h GLY 13 N -0.69 1.50 0.87 7.15 0.00 -1.47 0.64 103.07 111.08 1nb2 h GLY 13 Ca -0.00 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.88 1nb2 h GLY 13 CO -0.15 0.36 0.34 -2.08 0.00 0.00 0.00 176.54 175.01 1nb2 h VAL 14 N 1.19 1.06 -0.11 4.60 2.07 -1.44 -0.81 116.25 122.82 1nb2 h VAL 14 Ca 0.42 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.58 1nb2 h VAL 14 Cb 0.12 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1nb2 h VAL 14 CO -0.16 0.12 -0.51 1.56 0.02 0.00 0.00 177.57 178.60 1nb2 h GLN 15 N 0.68 0.29 -0.71 1.57 1.08 -0.13 -2.81 115.11 115.07 1nb2 h GLN 15 Ca 0.23 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1nb2 h GLN 15 Cb 0.02 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1nb2 h GLN 15 CO -0.10 0.73 0.00 0.54 -0.95 0.00 0.00 178.83 179.05 1nb2 n ARG 16 N -3.95 1.86 -1.37 1.46 1.74 0.21 -4.88 116.66 111.73 1nb2 n ARG 16 Ca -0.02 -0.77 -0.14 0.00 -0.77 0.00 0.00 57.85 56.15 1nb2 n ARG 16 Cb 0.56 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1nb2 n ARG 16 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1nb2 n ASN 17 N 0.13 -4.44 -0.72 0.55 4.13 -0.79 -4.83 115.26 109.29 1nb2 n ASN 17 Ca 0.07 0.34 0.03 0.00 1.68 0.00 0.00 54.58 56.71 1nb2 n ASN 17 Cb 0.41 -3.79 0.13 0.00 -1.54 0.00 0.00 39.78 34.99 1nb2 n ASN 17 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1nb2 n LEU 18 N -1.75 1.99 0.39 3.41 4.77 -0.41 -4.42 117.00 120.98 1nb2 n LEU 18 Ca -0.14 -1.00 -0.18 0.00 -0.03 0.00 0.00 56.01 54.66 1nb2 n LEU 18 Cb 0.52 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1nb2 n LEU 18 CO 0.21 0.36 0.53 0.58 -1.33 0.00 0.00 177.39 177.75 1nb2 h VAL 19 N 1.47 0.00 -0.25 4.08 2.07 -1.86 -2.53 116.25 119.23 1nb2 h VAL 19 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1nb2 h VAL 19 Cb 0.66 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1nb2 h VAL 19 CO 0.08 0.00 -0.48 1.23 0.02 0.00 0.00 177.57 178.42 1nb2 h GLY 20 N -1.10 -0.82 0.41 2.17 0.00 -1.97 -1.08 103.07 100.68 1nb2 h GLY 20 Ca -0.09 0.61 0.03 0.00 0.00 0.00 0.00 47.33 47.87 1nb2 h GLY 20 CO 0.08 -0.19 -0.28 0.83 0.00 0.00 0.00 176.54 176.99 1nb2 h GLU 21 N -0.46 -0.42 -0.50 4.80 3.07 -1.87 0.22 114.58 119.42 1nb2 h GLU 21 Ca 0.08 0.03 0.12 0.00 -0.50 0.00 0.00 59.36 59.08 1nb2 h GLU 21 Cb 0.63 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 1nb2 h GLU 21 CO -0.49 -0.28 0.35 0.28 -1.40 0.00 0.00 179.01 177.46 1nb2 h VAL 22 N -0.44 0.82 0.33 3.13 2.07 -1.15 0.23 116.25 121.24 1nb2 h VAL 22 Ca 0.05 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1nb2 h VAL 22 Cb 0.51 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1nb2 h VAL 22 CO -0.22 0.03 -0.16 0.58 0.02 0.00 0.00 177.57 177.82 1nb2 h VAL 23 N 0.16 0.00 -0.99 2.57 2.07 0.07 -3.34 116.25 116.78 1nb2 h VAL 23 Ca 0.23 -0.63 0.33 0.00 0.82 0.00 0.00 66.70 67.45 1nb2 h VAL 23 Cb 0.72 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.33 1nb2 h VAL 23 CO -0.03 0.00 0.52 0.50 0.02 0.00 0.00 177.57 178.58 1nb2 h LYS 24 N -1.07 0.25 -0.84 1.57 3.64 0.25 -1.02 116.57 119.34 1nb2 h LYS 24 Ca -0.05 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.51 1nb2 h LYS 24 Cb 0.34 -0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.99 1nb2 h LYS 24 CO 0.07 0.16 0.35 0.00 -2.27 0.00 0.00 179.45 177.77 1nb2 h ARG 25 N 0.26 0.41 0.00 1.90 2.47 -0.71 -0.21 114.38 118.51 1nb2 h ARG 25 Ca 0.73 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 59.31 1nb2 h ARG 25 Cb 1.71 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.91 1nb2 h ARG 25 CO -0.64 0.27 -0.64 0.74 0.56 0.00 0.00 179.97 180.26 1nb2 h PHE 26 N 0.43 0.00 0.15 3.04 0.04 -1.36 -3.10 116.94 116.14 1nb2 h PHE 26 Ca 0.50 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.26 1nb2 h PHE 26 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1nb2 h PHE 26 CO -0.15 0.53 -0.07 0.93 -0.60 0.00 0.00 178.31 178.95 1nb2 h GLU 27 N 0.00 -0.19 0.00 1.51 5.08 -1.00 -1.54 114.58 118.44 1nb2 h GLU 27 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nb2 h GLU 27 Cb 1.43 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1nb2 h GLU 27 CO 0.07 0.10 0.00 -1.13 -1.00 0.00 0.00 179.01 177.05 1nb2 n SER 28 N -5.05 0.00 -0.10 1.42 3.41 -0.68 -2.13 113.62 110.49 1nb2 n SER 28 Ca -0.09 -1.18 -0.13 0.00 -0.26 0.00 0.00 58.87 57.21 1nb2 n SER 28 Cb 0.21 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 1nb2 n SER 28 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nb2 n LYS 29 N -0.65 0.73 0.00 4.33 3.00 -0.98 -5.02 118.16 119.56 1nb2 n LYS 29 Ca 0.05 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1nb2 n LYS 29 Cb 0.02 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1nb2 n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nb2 n GLY 30 N 2.34 1.59 3.77 3.14 0.00 -0.70 -5.09 105.19 110.24 1nb2 n GLY 30 Ca -0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1nb2 n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nb2 n LEU 31 N 0.00 4.74 -4.50 0.99 4.77 -0.67 -4.89 117.00 117.44 1nb2 n LEU 31 Ca 0.00 1.22 -0.35 0.00 -0.03 0.00 0.00 56.01 56.85 1nb2 n LEU 31 Cb 0.00 -1.62 -0.12 0.00 -2.33 0.00 0.00 43.42 39.35 1nb2 n LEU 31 CO 0.00 0.16 -0.30 -0.75 -1.33 0.00 0.00 177.39 175.17 1nb2 s LYS 32 N -1.93 3.73 -0.81 3.23 2.20 -1.10 -4.33 119.74 120.73 1nb2 s LYS 32 Ca 0.54 -0.46 -0.25 0.00 -0.36 0.00 0.00 55.97 55.44 1nb2 s LYS 32 Cb -0.48 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1nb2 s LYS 32 CO 0.62 0.05 1.79 -1.17 -0.36 0.00 0.00 175.35 176.29 1nb2 s LEU 33 N 0.94 3.25 -0.88 5.43 2.96 -1.26 -0.33 118.68 128.78 1nb2 s LEU 33 Ca 0.03 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 1nb2 s LEU 33 Cb -0.14 -2.55 0.21 0.00 0.50 0.00 0.00 46.19 44.21 1nb2 s LEU 33 CO 0.02 -2.38 0.87 0.00 -1.32 0.00 0.00 176.35 173.54 1nb2 s ALA 34 N 8.70 4.04 0.00 5.97 0.00 0.48 -4.91 121.76 136.04 1nb2 s ALA 34 Ca 0.63 -3.29 0.00 0.00 0.00 0.00 0.00 51.96 49.29 1nb2 s ALA 34 Cb -0.08 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1nb2 s ALA 34 CO 0.06 -2.39 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1nb2 n GLY 35 N 4.08 -2.38 3.65 0.00 0.00 -1.26 -3.80 105.19 105.47 1nb2 n GLY 35 Ca 0.17 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.96 1nb2 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nb2 s ALA 36 N -2.01 -2.42 0.00 4.61 0.00 -1.26 -2.48 121.76 118.20 1nb2 s ALA 36 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1nb2 s ALA 36 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1nb2 s ALA 36 CO 0.00 -0.26 0.00 0.36 0.00 0.00 0.00 175.76 175.86 1nb2 n LYS 37 N 2.72 0.00 -1.54 0.00 0.00 -0.86 -4.98 118.16 113.49 1nb2 n LYS 37 Ca -0.15 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 57.88 1nb2 n LYS 37 Cb 0.57 0.00 0.07 0.00 -0.00 0.00 0.00 35.03 35.67 1nb2 n LYS 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1nb2 n LEU 38 N 0.00 6.36 -4.57 -5.58 4.77 -1.26 -0.71 117.00 116.00 1nb2 n LEU 38 Ca 0.00 -4.39 -0.41 0.00 -0.03 0.00 0.00 56.01 51.18 1nb2 n LEU 38 Cb 0.00 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 1nb2 n LEU 38 CO 0.00 1.68 1.45 -0.32 -1.33 0.00 0.00 177.39 178.86 1nb2 s MET 39 N -3.68 3.06 0.97 3.23 1.75 -1.19 -4.22 119.30 119.24 1nb2 s MET 39 Ca 0.58 0.74 -0.13 0.00 -1.25 0.00 0.00 55.69 55.62 1nb2 s MET 39 Cb 0.46 -4.24 0.04 0.00 2.84 0.00 0.00 34.83 33.94 1nb2 s MET 39 CO 0.01 -2.21 0.33 0.28 -0.65 0.00 0.00 175.02 172.78 1nb2 n VAL 40 N 7.12 0.00 0.08 10.11 0.31 -1.26 -4.57 118.33 130.12 1nb2 n VAL 40 Ca 0.18 -0.21 -0.11 0.00 -0.01 0.00 0.00 64.34 64.19 1nb2 n VAL 40 Cb 0.50 -0.60 -0.09 0.00 -0.91 0.00 0.00 33.84 32.74 1nb2 n VAL 40 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1nb2 h ILE 41 N -1.61 1.56 -6.40 2.52 1.08 -1.88 -3.48 117.51 109.31 1nb2 h ILE 41 Ca -0.45 -3.00 -0.49 0.00 -0.39 0.00 0.00 64.86 60.53 1nb2 h ILE 41 Cb 1.29 2.74 -0.07 0.00 -3.07 0.00 0.00 36.82 37.71 1nb2 h ILE 41 CO 0.34 0.87 -0.78 -1.54 -0.69 0.00 0.00 178.15 176.35 1nb2 n SER 42 N -3.53 -4.10 0.00 1.72 3.41 -1.26 -2.13 113.62 107.73 1nb2 n SER 42 Ca -0.04 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1nb2 n SER 42 Cb 0.92 -3.62 0.00 0.00 -0.26 0.00 0.00 64.21 61.25 1nb2 n SER 42 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nb2 n LYS 43 N -4.59 0.00 -0.23 4.33 5.02 -1.26 -4.14 118.16 117.29 1nb2 n LYS 43 Ca 0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.34 1nb2 n LYS 43 Cb 0.53 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.67 1nb2 n LYS 43 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1nb2 h ASP 44 N 0.00 -0.29 0.11 4.39 3.45 -2.01 0.53 116.42 122.60 1nb2 h ASP 44 Ca 0.00 0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 1nb2 h ASP 44 Cb 0.00 0.30 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 1nb2 h ASP 44 CO 0.00 -0.14 -0.09 1.23 -1.57 0.00 0.00 179.24 178.68 1nb2 h GLY 45 N 0.12 0.00 0.00 2.75 0.00 -1.59 -3.19 103.07 101.16 1nb2 h GLY 45 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1nb2 h GLY 45 CO -0.59 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.95 1nb2 n ALA 46 N -2.46 -0.15 -0.20 3.60 0.00 0.18 -2.95 120.51 118.53 1nb2 n ALA 46 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.60 1nb2 n ALA 46 Cb 0.17 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.96 1nb2 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nb2 n ALA 47 N -1.31 0.60 0.05 0.00 0.00 -0.65 0.61 120.51 119.81 1nb2 n ALA 47 Ca 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 53.44 53.96 1nb2 n ALA 47 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 1nb2 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nb2 h ALA 48 N 1.23 -0.21 -0.74 0.00 0.00 -1.68 0.20 119.26 118.07 1nb2 h ALA 48 Ca 0.51 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1nb2 h ALA 48 Cb 1.32 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1nb2 h ALA 48 CO -0.49 -0.32 0.39 1.25 0.00 0.00 0.00 179.25 180.08 1nb2 h HIS 49 N -0.81 0.70 -0.51 0.00 6.17 0.29 0.64 115.15 121.62 1nb2 h HIS 49 Ca -0.02 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1nb2 h HIS 49 Cb 0.53 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.26 1nb2 h HIS 49 CO 0.08 0.27 0.00 0.66 0.71 0.00 0.00 177.93 179.65 1nb2 n TYR 50 N -4.82 0.70 -0.31 5.26 4.01 0.27 -4.57 117.16 117.70 1nb2 n TYR 50 Ca 0.11 -0.34 0.21 0.00 -0.16 0.00 0.00 57.90 57.72 1nb2 n TYR 50 Cb 0.26 -0.01 0.40 0.00 -0.31 0.00 0.00 39.34 39.68 1nb2 n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nb2 n ALA 51 N 0.97 0.69 -1.69 -0.72 0.00 0.71 -4.44 120.51 116.04 1nb2 n ALA 51 Ca 0.17 0.98 -0.44 0.00 0.00 0.00 0.00 53.44 54.15 1nb2 n ALA 51 Cb 0.44 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 1nb2 n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nb2 n GLU 52 N -5.27 2.56 -3.32 0.00 -0.58 -1.26 -2.62 120.64 110.15 1nb2 n GLU 52 Ca 0.28 0.93 -0.17 0.00 -0.42 0.00 0.00 57.16 57.78 1nb2 n GLU 52 Cb 0.93 -2.79 0.07 0.00 -0.57 0.00 0.00 31.44 29.08 1nb2 n GLU 52 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1nb2 n LEU 53 N 5.17 -5.15 0.21 -4.62 0.00 -1.26 -4.90 117.00 106.46 1nb2 n LEU 53 Ca 0.18 -0.74 0.11 0.00 0.00 0.00 0.00 56.01 55.57 1nb2 n LEU 53 Cb 0.34 -3.11 0.16 0.00 0.00 0.00 0.00 43.42 40.81 1nb2 n LEU 53 CO 0.66 0.17 0.79 1.23 0.00 0.00 0.00 177.39 180.24 1nb2 h GLY 54 N -1.26 0.00 1.80 -3.96 0.00 -1.73 -3.14 103.07 94.78 1nb2 h GLY 54 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1nb2 h GLY 54 CO 0.45 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1nb2 n GLY 55 N 1.11 -1.37 3.73 4.60 0.00 -1.26 -4.79 105.19 107.21 1nb2 n GLY 55 Ca 0.04 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1nb2 n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nb2 s GLY 56 N -2.80 2.92 0.53 -0.02 0.00 -1.19 -4.96 107.32 101.80 1nb2 s GLY 56 Ca 0.20 0.46 0.38 0.00 0.00 0.00 0.00 44.72 45.76 1nb2 s GLY 56 CO 0.48 1.33 1.74 -0.56 0.00 0.00 0.00 173.10 176.10 1nb2 h PRO 57 N 5.69 0.03 -0.68 2.90 0.13 -1.90 -1.93 132.00 136.23 1nb2 h PRO 57 Ca -0.43 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1nb2 h PRO 57 Cb 1.21 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1nb2 h PRO 57 CO 0.72 0.02 0.45 0.27 -0.23 0.00 0.00 178.00 179.23 1nb2 h PHE 58 N 0.03 0.68 -1.02 1.56 -0.00 -1.92 -1.13 116.94 115.14 1nb2 h PHE 58 Ca 0.67 0.02 0.26 0.00 -0.00 0.00 0.00 57.97 58.91 1nb2 h PHE 58 Cb 2.58 -0.22 -0.12 0.00 -0.00 0.00 0.00 35.95 38.19 1nb2 h PHE 58 CO -0.00 0.35 0.62 0.35 -0.00 0.00 0.00 178.31 179.63 1nb2 h PHE 59 N 0.66 0.92 -1.90 6.09 3.57 -1.64 0.29 116.94 124.93 1nb2 h PHE 59 Ca 0.30 0.03 -0.60 0.00 3.53 0.00 0.00 57.97 61.23 1nb2 h PHE 59 Cb 0.32 -0.26 -0.11 0.00 2.79 0.00 0.00 35.95 38.69 1nb2 h PHE 59 CO -0.00 0.04 1.13 0.20 -2.23 0.00 0.00 178.31 177.45 1nb2 s GLY 60 N -3.95 1.27 0.00 2.40 0.00 -0.43 -1.90 107.32 104.72 1nb2 s GLY 60 Ca -0.10 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.59 1nb2 s GLY 60 CO 0.80 2.48 0.00 0.61 0.00 0.00 0.00 173.10 176.98 1nb2 n GLY 61 N 6.00 1.71 0.13 0.20 0.00 -1.10 -4.93 105.19 107.20 1nb2 n GLY 61 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1nb2 n GLY 61 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nb2 n LEU 62 N 0.00 2.42 0.15 0.99 7.94 1.00 -3.77 117.00 125.72 1nb2 n LEU 62 Ca 0.00 0.14 0.13 0.00 -1.11 0.00 0.00 56.01 55.17 1nb2 n LEU 62 Cb 0.00 -0.89 0.41 0.00 0.53 0.00 0.00 43.42 43.46 1nb2 n LEU 62 CO 0.00 0.72 0.88 0.58 -1.11 0.00 0.00 177.39 178.46 1nb2 h VAL 63 N -0.51 0.00 -0.17 1.96 2.07 -1.60 -2.84 116.25 115.17 1nb2 h VAL 63 Ca -0.60 -0.53 -0.21 0.00 0.82 0.00 0.00 66.70 66.18 1nb2 h VAL 63 Cb 1.74 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1nb2 h VAL 63 CO -0.23 0.00 -0.71 1.23 0.02 0.00 0.00 177.57 177.88 1nb2 h GLY 64 N 3.66 0.80 0.54 2.17 0.00 -1.76 -3.30 103.07 105.18 1nb2 h GLY 64 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.23 1nb2 h GLY 64 CO 0.00 0.96 -0.26 -1.33 0.00 0.00 0.00 176.54 175.91 1nb2 h GLY 65 N 0.75 -0.76 0.28 4.60 0.00 -1.59 -3.25 103.07 103.09 1nb2 h GLY 65 Ca -0.03 0.28 0.22 0.00 0.00 0.00 0.00 47.33 47.80 1nb2 h GLY 65 CO 0.14 -0.28 0.60 0.00 0.00 0.00 0.00 176.54 177.01 1nb2 h ALA 66 N -1.51 2.40 0.00 3.60 0.00 -1.72 -1.93 119.26 120.10 1nb2 h ALA 66 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nb2 h ALA 66 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nb2 h ALA 66 CO 0.12 -0.67 0.00 0.25 0.00 0.00 0.00 179.25 178.95 1nb2 n THR 67 N -4.44 0.40 0.00 0.00 -2.24 -1.23 -4.48 114.28 102.28 1nb2 n THR 67 Ca 0.19 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1nb2 n THR 67 Cb 0.78 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1nb2 n THR 67 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nb2 n SER 68 N -1.63 0.00 -4.42 3.42 3.41 -0.73 -4.78 113.62 108.90 1nb2 n SER 68 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 1nb2 n SER 68 Cb 0.30 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.42 1nb2 n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1nb2 s GLY 69 N 0.00 1.62 0.33 5.00 0.00 -1.26 -5.02 107.32 107.99 1nb2 s GLY 69 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 1nb2 s GLY 69 CO 0.00 -0.09 0.19 -1.55 0.00 0.00 0.00 173.10 171.64 1nb2 n PRO 70 N -3.99 -2.25 -3.36 2.90 -0.04 -1.26 -4.65 135.00 122.35 1nb2 n PRO 70 Ca 0.10 -0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.22 1nb2 n PRO 70 Cb 0.59 -0.43 -0.05 0.00 -0.04 0.00 0.00 33.50 33.57 1nb2 n PRO 70 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nb2 s VAL 71 N -1.18 -0.82 -0.71 0.52 1.01 -1.26 -3.54 120.40 114.42 1nb2 s VAL 71 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.86 1nb2 s VAL 71 Cb -0.03 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.50 1nb2 s VAL 71 CO 0.12 -0.03 1.22 0.12 0.00 0.00 0.00 175.10 176.53 1nb2 s PHE 72 N 2.73 2.37 0.30 5.22 5.36 -1.21 -3.15 117.98 129.60 1nb2 s PHE 72 Ca 0.11 -0.11 -0.14 0.00 -0.96 0.00 0.00 56.93 55.83 1nb2 s PHE 72 Cb -0.14 -4.56 -0.09 0.00 -0.34 0.00 0.00 43.02 37.89 1nb2 s PHE 72 CO -0.18 -1.97 0.69 0.00 -1.46 0.00 0.00 175.22 172.30 1nb2 s ALA 73 N 5.38 3.38 0.18 11.12 0.00 0.11 -0.88 121.76 141.05 1nb2 s ALA 73 Ca 0.33 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 1nb2 s ALA 73 Cb -0.10 -2.68 -0.00 0.00 0.00 0.00 0.00 23.12 20.34 1nb2 s ALA 73 CO 0.15 0.38 0.33 -1.64 0.00 0.00 0.00 175.76 174.98 1nb2 s MET 74 N -2.94 1.22 -0.05 0.00 1.00 -0.81 -2.03 119.30 115.69 1nb2 s MET 74 Ca 0.52 -1.15 -0.01 0.00 0.00 0.00 0.00 55.69 55.05 1nb2 s MET 74 Cb -0.10 0.40 0.03 0.00 0.00 0.00 0.00 34.83 35.16 1nb2 s MET 74 CO 0.18 -0.46 0.02 0.08 0.00 0.00 0.00 175.02 174.85 1nb2 s VAL 75 N -3.96 0.16 0.02 -6.03 1.01 -1.04 -1.58 120.40 108.98 1nb2 s VAL 75 Ca 0.17 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.44 1nb2 s VAL 75 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1nb2 s VAL 75 CO 0.01 0.21 -0.15 0.26 0.00 0.00 0.00 175.10 175.42 1nb2 s TRP 76 N 1.91 2.64 0.55 5.22 0.52 0.26 -0.39 118.94 129.66 1nb2 s TRP 76 Ca 0.03 -0.20 0.08 0.00 0.02 0.00 0.00 56.10 56.02 1nb2 s TRP 76 Cb -0.12 -1.52 0.06 0.00 -1.15 0.00 0.00 33.47 30.74 1nb2 s TRP 76 CO -0.04 0.25 0.62 -1.21 0.02 0.00 0.00 176.95 176.60 1nb2 s GLU 77 N -1.28 2.31 0.00 4.98 2.02 0.55 -1.27 118.70 126.00 1nb2 s GLU 77 Ca 0.14 -1.78 0.00 0.00 0.02 0.00 0.00 54.97 53.36 1nb2 s GLU 77 Cb -0.11 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1nb2 s GLU 77 CO 0.05 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.01 1nb2 n GLY 78 N -2.02 2.42 3.77 -1.39 0.00 -1.09 -2.70 105.19 104.18 1nb2 n GLY 78 Ca 0.08 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 1nb2 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nb2 s LEU 79 N 0.00 4.33 -1.30 0.99 1.43 -1.26 -2.77 118.68 120.11 1nb2 s LEU 79 Ca 0.00 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1nb2 s LEU 79 Cb 0.00 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1nb2 s LEU 79 CO 0.00 -0.47 0.00 0.59 0.23 0.00 0.00 176.35 176.70 1nb2 n ASN 80 N 0.51 -3.79 0.03 2.29 3.02 -1.26 -4.84 115.26 111.22 1nb2 n ASN 80 Ca 0.02 0.26 -0.11 0.00 -0.03 0.00 0.00 54.58 54.72 1nb2 n ASN 80 Cb 0.46 -3.38 -0.05 0.00 -0.61 0.00 0.00 39.78 36.19 1nb2 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nb2 h ALA 81 N 0.85 -0.44 -0.53 5.41 0.00 -1.79 -0.27 119.26 122.49 1nb2 h ALA 81 Ca -0.29 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1nb2 h ALA 81 Cb 1.03 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1nb2 h ALA 81 CO 0.39 -0.83 0.05 0.00 0.00 0.00 0.00 179.25 178.86 1nb2 h ALA 82 N 0.32 0.71 0.39 0.00 0.00 -1.86 -0.20 119.26 118.61 1nb2 h ALA 82 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nb2 h ALA 82 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nb2 h ALA 82 CO -0.32 0.49 -0.28 0.00 0.00 0.00 0.00 179.25 179.13 1nb2 h ALA 83 N 0.97 -0.66 -0.19 0.00 0.00 -1.87 -3.01 119.26 114.49 1nb2 h ALA 83 Ca 0.16 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1nb2 h ALA 83 Cb 0.46 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1nb2 h ALA 83 CO 0.02 -0.89 -0.30 1.79 0.00 0.00 0.00 179.25 179.86 1nb2 h THR 84 N -0.66 1.27 0.24 0.00 1.35 -1.02 -3.32 112.91 110.77 1nb2 h THR 84 Ca -0.04 -1.32 0.01 0.00 -0.55 0.00 0.00 66.41 64.51 1nb2 h THR 84 Cb 0.57 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 68.41 1nb2 h THR 84 CO 0.01 0.41 -0.51 0.00 -0.25 0.00 0.00 175.52 175.18 1nb2 h ALA 85 N 1.36 -1.01 -0.87 6.62 0.00 -0.89 -1.69 119.26 122.77 1nb2 h ALA 85 Ca 0.04 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.98 1nb2 h ALA 85 Cb 0.70 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 1nb2 h ALA 85 CO 0.05 -1.13 0.57 0.07 0.00 0.00 0.00 179.25 178.81 1nb2 h ARG 86 N -0.82 0.55 -0.21 0.00 0.11 -1.65 0.71 114.38 113.08 1nb2 h ARG 86 Ca -0.02 -0.03 0.03 0.00 0.10 0.00 0.00 59.98 60.06 1nb2 h ARG 86 Cb 0.79 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.71 1nb2 h ARG 86 CO -0.21 0.37 0.01 1.96 0.10 0.00 0.00 179.97 182.20 1nb2 h GLN 87 N 0.57 0.08 0.00 0.08 4.20 -1.43 -0.24 115.11 118.38 1nb2 h GLN 87 Ca 0.44 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1nb2 h GLN 87 Cb 0.86 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1nb2 h GLN 87 CO -0.19 0.05 -0.34 0.44 -0.67 0.00 0.00 178.83 178.12 1nb2 n ILE 88 N -5.12 0.11 -0.08 2.54 -5.35 -0.04 -3.02 119.36 108.41 1nb2 n ILE 88 Ca -0.02 -0.07 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 1nb2 n ILE 88 Cb 0.10 -0.10 -0.01 0.00 -1.74 0.00 0.00 39.64 37.90 1nb2 n ILE 88 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1nb2 h LEU 89 N 0.00 0.92 0.00 7.28 5.85 0.11 -3.07 115.31 126.39 1nb2 h LEU 89 Ca 0.00 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1nb2 h LEU 89 Cb 0.56 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1nb2 h LEU 89 CO 0.00 1.23 0.00 0.61 -0.34 0.00 0.00 178.44 179.94 1nb2 n GLY 90 N 0.23 1.59 3.73 3.75 0.00 -0.17 -2.89 105.19 111.43 1nb2 n GLY 90 Ca -0.03 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 1nb2 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nb2 s ALA 91 N -1.81 1.99 0.14 4.61 0.00 -1.26 -4.81 121.76 120.62 1nb2 s ALA 91 Ca 0.00 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 1nb2 s ALA 91 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1nb2 s ALA 91 CO 0.00 -2.10 1.77 1.15 0.00 0.00 0.00 175.76 176.58 1nb2 h THR 92 N -1.31 0.97 -3.58 0.00 2.02 -1.95 -3.39 112.91 105.67 1nb2 h THR 92 Ca -0.44 -0.10 -0.57 0.00 0.77 0.00 0.00 66.41 66.07 1nb2 h THR 92 Cb 1.25 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 1nb2 h THR 92 CO 0.48 0.06 0.88 0.21 0.37 0.00 0.00 175.52 177.51 1nb2 s ASN 93 N -5.39 6.72 0.55 4.18 2.47 -1.26 -4.80 114.94 117.41 1nb2 s ASN 93 Ca -0.13 0.63 0.26 0.00 0.42 0.00 0.00 52.86 54.05 1nb2 s ASN 93 Cb 0.11 -2.54 1.60 0.00 -1.45 0.00 0.00 41.25 38.97 1nb2 s ASN 93 CO 0.71 -1.12 2.17 1.55 -3.72 0.00 0.00 177.10 176.69 1nb2 h PRO 94 N 8.85 0.00 -0.90 0.43 0.13 -1.83 0.53 132.00 139.21 1nb2 h PRO 94 Ca -0.22 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1nb2 h PRO 94 Cb 1.06 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.11 1nb2 h PRO 94 CO 1.09 0.05 0.17 0.43 -0.23 0.00 0.00 178.00 179.51 1nb2 n SER 95 N -3.90 3.39 0.00 1.44 7.64 -1.26 -3.37 113.62 117.57 1nb2 n SER 95 Ca -0.03 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.21 1nb2 n SER 95 Cb 0.14 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1nb2 n SER 95 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1nb2 n ASP 96 N -0.02 0.00 -4.71 6.43 2.03 -0.47 -5.12 116.55 114.69 1nb2 n ASP 96 Ca 0.22 -0.84 -0.39 0.00 0.52 0.00 0.00 54.79 54.30 1nb2 n ASP 96 Cb 0.92 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.27 1nb2 n ASP 96 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nb2 s ALA 97 N 0.00 3.40 -0.22 -1.67 0.00 0.05 -4.83 121.76 118.49 1nb2 s ALA 97 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 51.96 51.54 1nb2 s ALA 97 Cb 0.00 -2.87 -0.18 0.00 0.00 0.00 0.00 23.12 20.07 1nb2 s ALA 97 CO 0.00 -0.12 1.46 0.00 0.00 0.00 0.00 175.76 177.10 1nb2 n ALA 98 N 3.88 -1.58 -1.70 0.00 0.00 -1.26 -4.09 120.51 115.76 1nb2 n ALA 98 Ca -0.03 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 1nb2 n ALA 98 Cb 0.51 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 1nb2 n ALA 98 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1nb2 s PRO 99 N 1.96 3.47 0.00 0.00 0.02 -1.26 -2.53 135.00 136.66 1nb2 s PRO 99 Ca 0.96 2.11 0.00 0.00 0.02 0.00 0.00 61.00 64.10 1nb2 s PRO 99 Cb -1.24 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 29.00 1nb2 s PRO 99 CO 0.66 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 1nb2 n GLY 100 N 5.31 0.61 3.96 0.52 0.00 -1.26 -5.04 105.19 109.29 1nb2 n GLY 100 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1nb2 n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nb2 s THR 101 N 0.00 3.87 0.55 2.61 -4.23 -1.05 -4.94 115.64 112.45 1nb2 s THR 101 Ca 0.00 -0.53 0.30 0.00 -1.18 0.00 0.00 61.69 60.29 1nb2 s THR 101 Cb 0.00 -3.43 0.35 0.00 1.34 0.00 0.00 72.50 70.76 1nb2 s THR 101 CO 0.00 -0.30 2.22 0.40 -0.54 0.00 0.00 174.62 176.40 1nb2 h ILE 102 N 0.39 0.49 0.00 2.99 5.03 -1.56 -1.38 117.51 123.46 1nb2 h ILE 102 Ca -0.46 -0.13 -0.22 0.00 -0.12 0.00 0.00 64.86 63.93 1nb2 h ILE 102 Cb 1.26 1.08 -0.03 0.00 -3.03 0.00 0.00 36.82 36.10 1nb2 h ILE 102 CO 0.57 0.03 -1.24 0.03 -0.68 0.00 0.00 178.15 176.86 1nb2 h ARG 103 N 0.00 0.00 0.00 2.37 3.08 -1.81 -2.64 114.38 115.37 1nb2 h ARG 103 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nb2 h ARG 103 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1nb2 h ARG 103 CO 0.00 0.96 0.00 0.41 -1.07 0.00 0.00 179.97 180.27 1nb2 n GLY 104 N 1.44 -0.99 0.06 0.04 0.00 -1.16 -1.59 105.19 102.99 1nb2 n GLY 104 Ca -0.31 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1nb2 n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nb2 n ASP 105 N -1.48 1.64 -3.04 1.61 10.43 -0.53 -4.72 116.55 120.46 1nb2 n ASP 105 Ca 0.04 0.00 -0.19 0.00 2.57 0.00 0.00 54.79 57.21 1nb2 n ASP 105 Cb 0.17 0.92 -0.02 0.00 1.84 0.00 0.00 41.12 44.03 1nb2 n ASP 105 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1nb2 n PHE 106 N -2.45 1.23 -3.65 1.24 3.01 -0.99 -5.07 117.46 110.76 1nb2 n PHE 106 Ca -0.20 -3.70 0.01 0.00 1.01 0.00 0.00 57.45 54.57 1nb2 n PHE 106 Cb 0.89 -0.42 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 1nb2 n PHE 106 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1nb2 s GLY 107 N -2.78 0.53 0.00 1.37 0.00 -0.62 -4.36 107.32 101.47 1nb2 s GLY 107 Ca 0.41 3.72 0.00 0.00 0.00 0.00 0.00 44.72 48.85 1nb2 s GLY 107 CO -0.08 2.59 0.41 -0.62 0.00 0.00 0.00 173.10 175.41 1nb2 n VAL 108 N 2.84 0.00 -3.83 1.40 0.31 -1.26 -4.28 118.33 113.50 1nb2 n VAL 108 Ca -0.16 -0.44 -0.13 0.00 -0.01 0.00 0.00 64.34 63.60 1nb2 n VAL 108 Cb 0.56 1.12 -0.15 0.00 -0.91 0.00 0.00 33.84 34.47 1nb2 n VAL 108 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1nb2 s SER 109 N -0.04 0.01 0.56 4.52 0.01 -1.26 -4.54 113.70 112.96 1nb2 s SER 109 Ca 0.00 0.04 0.33 0.00 1.31 0.00 0.00 55.95 57.63 1nb2 s SER 109 Cb 0.00 -0.00 1.66 0.00 0.21 0.00 0.00 66.02 67.89 1nb2 s SER 109 CO 0.00 -0.05 2.12 0.00 0.41 0.00 0.00 173.24 175.72 1nb2 h ALA 110 N 6.54 1.14 0.03 1.44 0.00 -1.95 -3.18 119.26 123.27 1nb2 h ALA 110 Ca -0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nb2 h ALA 110 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nb2 h ALA 110 CO 0.49 0.08 -0.02 0.78 0.00 0.00 0.00 179.25 180.58 1nb2 h GLY 111 N 0.98 -0.27 -7.56 0.00 0.00 -1.95 -3.39 103.07 90.87 1nb2 h GLY 111 Ca -0.00 0.11 -0.67 0.00 0.00 0.00 0.00 47.33 46.77 1nb2 h GLY 111 CO 0.01 -0.10 -0.61 0.50 0.00 0.00 0.00 176.54 176.33 1nb2 s ARG 112 N -3.09 1.83 -0.67 4.80 0.52 -1.20 -5.04 118.95 116.09 1nb2 s ARG 112 Ca -0.01 -2.03 -0.06 0.00 -0.52 0.00 0.00 55.73 53.12 1nb2 s ARG 112 Cb 0.00 -3.40 0.17 0.00 0.52 0.00 0.00 34.95 32.24 1nb2 s ARG 112 CO 0.02 -1.03 0.52 0.54 0.02 0.00 0.00 175.30 175.37 1nb2 s ASN 113 N 1.03 5.61 0.00 0.23 2.20 -1.24 -4.64 114.94 118.13 1nb2 s ASN 113 Ca 0.12 -2.81 0.00 0.00 -0.94 0.00 0.00 52.86 49.23 1nb2 s ASN 113 Cb -0.21 -1.94 0.00 0.00 -2.00 0.00 0.00 41.25 37.09 1nb2 s ASN 113 CO -0.05 -0.42 0.00 0.00 -2.94 0.00 0.00 177.10 173.69 1nb2 n ALA 114 N 3.61 0.00 -2.54 3.54 0.00 -1.26 -4.60 120.51 119.26 1nb2 n ALA 114 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.25 1nb2 n ALA 114 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1nb2 n ALA 114 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nb2 s ILE 115 N 0.00 1.78 0.02 0.00 -0.00 -1.26 0.00 121.20 121.74 1nb2 s ILE 115 Ca 0.00 -1.77 0.03 0.00 -0.00 0.00 0.00 60.65 58.91 1nb2 s ILE 115 Cb 0.00 -2.56 -0.01 0.00 -0.00 0.00 0.00 42.46 39.89 1nb2 s ILE 115 CO 0.00 0.00 -0.09 -2.28 -0.00 0.00 0.00 174.94 172.57 1nb2 s HIS 116 N -2.73 0.82 -0.28 1.37 2.46 0.44 -4.81 115.29 112.55 1nb2 s HIS 116 Ca 0.28 -0.28 -0.22 0.00 0.47 0.00 0.00 55.06 55.32 1nb2 s HIS 116 Cb 0.03 -0.50 0.09 0.00 -0.13 0.00 0.00 32.58 32.06 1nb2 s HIS 116 CO 0.16 -0.02 0.79 0.20 -2.47 0.00 0.00 174.74 173.41 1nb2 s GLY 117 N -0.77 -0.45 0.15 1.59 0.00 -1.26 -1.47 107.32 105.10 1nb2 s GLY 117 Ca -0.01 2.36 -0.17 0.00 0.00 0.00 0.00 44.72 46.90 1nb2 s GLY 117 CO 0.00 2.03 0.29 1.44 0.00 0.00 0.00 173.10 176.87 1nb2 n SER 118 N 3.16 -0.98 -0.73 1.64 7.64 -0.97 -4.90 113.62 118.48 1nb2 n SER 118 Ca -0.16 0.70 0.10 0.00 1.01 0.00 0.00 58.87 60.52 1nb2 n SER 118 Cb 0.57 -0.61 0.07 0.00 -1.01 0.00 0.00 64.21 63.22 1nb2 n SER 118 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nb2 n ASP 119 N 1.33 2.50 -3.67 6.43 8.00 -1.26 -4.75 116.55 125.13 1nb2 n ASP 119 Ca 0.11 -1.75 -0.04 0.00 0.71 0.00 0.00 54.79 53.82 1nb2 n ASP 119 Cb 0.18 0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 1nb2 n ASP 119 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1nb2 s SER 120 N -1.79 -0.21 0.47 -2.24 1.04 -1.26 -5.01 113.70 104.69 1nb2 s SER 120 Ca 0.22 -0.25 0.19 0.00 0.48 0.00 0.00 55.95 56.59 1nb2 s SER 120 Cb 0.17 0.41 1.13 0.00 0.10 0.00 0.00 66.02 67.83 1nb2 s SER 120 CO 0.30 -0.74 2.00 0.00 0.98 0.00 0.00 173.24 175.79 1nb2 h ALA 121 N 2.00 1.51 0.00 5.32 0.00 -1.95 -1.96 119.26 124.19 1nb2 h ALA 121 Ca -0.24 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1nb2 h ALA 121 Cb 1.23 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1nb2 h ALA 121 CO 0.27 0.23 -0.33 0.78 0.00 0.00 0.00 179.25 180.20 1nb2 h GLY 122 N 0.72 0.25 2.00 0.00 0.00 -1.97 0.88 103.07 104.95 1nb2 h GLY 122 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1nb2 h GLY 122 CO 0.02 0.39 -0.17 0.23 0.00 0.00 0.00 176.54 177.01 1nb2 h SER 123 N -0.42 0.00 -0.25 0.19 0.87 -1.94 -1.08 113.55 110.92 1nb2 h SER 123 Ca -0.04 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.35 1nb2 h SER 123 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1nb2 h SER 123 CO 0.07 0.17 -0.49 0.00 -0.53 0.00 0.00 176.83 176.05 1nb2 h ALA 124 N 1.83 0.39 -0.06 6.23 0.00 -1.27 -2.17 119.26 124.21 1nb2 h ALA 124 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nb2 h ALA 124 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nb2 h ALA 124 CO 0.02 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1nb2 n ALA 125 N -2.55 2.60 0.00 0.00 0.00 0.29 -2.59 120.51 118.27 1nb2 n ALA 125 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1nb2 n ALA 125 Cb 0.59 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1nb2 n ALA 125 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nb2 n LYS 126 N -0.03 3.52 -0.03 0.00 2.85 -0.87 -4.75 118.16 118.84 1nb2 n LYS 126 Ca 0.03 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.07 1nb2 n LYS 126 Cb 0.27 -0.49 -0.13 0.00 -0.65 0.00 0.00 35.03 34.03 1nb2 n LYS 126 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1nb2 h GLU 127 N 0.00 0.16 -0.17 -1.58 5.08 -1.28 -3.25 114.58 113.54 1nb2 h GLU 127 Ca 0.00 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1nb2 h GLU 127 Cb 0.00 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1nb2 h GLU 127 CO 0.00 1.13 -0.40 0.82 -1.00 0.00 0.00 179.01 179.56 1nb2 h ILE 128 N -0.47 0.16 0.04 3.13 2.04 -1.76 -2.31 117.51 118.33 1nb2 h ILE 128 Ca -0.34 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1nb2 h ILE 128 Cb 1.65 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1nb2 h ILE 128 CO -0.03 0.00 -0.31 1.23 0.00 0.00 0.00 178.15 179.04 1nb2 h GLY 129 N -0.45 -0.53 0.45 5.37 0.00 -1.84 1.13 103.07 107.21 1nb2 h GLY 129 Ca 0.09 0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.89 1nb2 h GLY 129 CO -0.42 -0.23 0.45 0.00 0.00 0.00 0.00 176.54 176.34 1nb2 h ALA 130 N 0.24 1.17 0.08 3.60 0.00 -1.54 -3.21 119.26 119.59 1nb2 h ALA 130 Ca 0.05 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 1nb2 h ALA 130 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1nb2 h ALA 130 CO -0.23 0.04 -1.56 0.74 0.00 0.00 0.00 179.25 178.23 1nb2 h PHE 131 N 0.73 0.30 0.00 0.00 -1.00 -1.24 -3.48 116.94 112.25 1nb2 h PHE 131 Ca 0.40 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1nb2 h PHE 131 Cb 0.42 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1nb2 h PHE 131 CO -0.07 1.61 0.00 1.19 -1.61 0.00 0.00 178.31 179.43 1nb2 n PHE 132 N -3.95 0.00 0.00 -0.55 3.01 0.39 -5.01 117.46 111.35 1nb2 n PHE 132 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.16 1nb2 n PHE 132 Cb 0.87 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.34 1nb2 n PHE 132 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nb2 n GLY 133 N 5.00 -1.27 0.00 1.37 0.00 -1.26 -4.82 105.19 104.22 1nb2 n GLY 133 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1nb2 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nb2 n GLY 134 N -0.32 0.00 0.05 -0.02 0.00 -1.26 -4.81 105.19 98.83 1nb2 n GLY 134 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1nb2 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nb2 n GLY 135 N -0.02 -0.82 0.00 -0.02 0.00 -1.26 -4.33 105.19 98.74 1nb2 n GLY 135 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.73 1nb2 n GLY 135 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nb2 n GLU 136 N -2.40 0.02 -3.47 1.61 1.02 -1.26 -4.62 120.64 111.54 1nb2 n GLU 136 Ca -0.17 0.29 -0.38 0.00 -0.02 0.00 0.00 57.16 56.89 1nb2 n GLU 136 Cb 0.79 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.63 1nb2 n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nb2 s ALA 137 N -2.94 3.57 0.17 0.62 0.00 -1.26 -4.54 121.76 117.38 1nb2 s ALA 137 Ca 0.06 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 1nb2 s ALA 137 Cb 0.07 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.57 1nb2 s ALA 137 CO 0.20 -0.29 0.81 0.00 0.00 0.00 0.00 175.76 176.48 1nb2 s ALA 138 N 1.28 3.42 -0.65 0.00 0.00 -1.26 -4.96 121.76 119.59 1nb2 s ALA 138 Ca 0.15 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1nb2 s ALA 138 Cb -0.14 -3.02 0.43 0.00 0.00 0.00 0.00 23.12 20.39 1nb2 s ALA 138 CO 0.07 0.25 1.89 0.45 0.00 0.00 0.00 175.76 178.42 1nb2 n SER 139 N 1.71 7.22 -4.77 0.00 2.88 -1.26 -4.71 113.62 114.68 1nb2 n SER 139 Ca -0.04 -3.79 -0.39 0.00 -1.33 0.00 0.00 58.87 53.32 1nb2 n SER 139 Cb 0.48 -0.90 -0.03 0.00 -0.75 0.00 0.00 64.21 63.02 1nb2 n SER 139 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1nb2 s GLY 140 N -1.97 2.91 -0.39 0.46 0.00 -1.26 -5.01 107.32 102.05 1nb2 s GLY 140 Ca 0.60 0.92 -0.15 0.00 0.00 0.00 0.00 44.72 46.08 1nb2 s GLY 140 CO -0.09 1.45 0.35 -0.51 0.00 0.00 0.00 173.10 174.30 1nb2 s THR 141 N -1.37 5.19 -0.06 0.90 -4.23 -1.26 -5.04 115.64 109.76 1nb2 s THR 141 Ca 0.53 -0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.41 1nb2 s THR 141 Cb -0.30 -3.91 -0.06 0.00 1.34 0.00 0.00 72.50 69.57 1nb2 s THR 141 CO 0.38 -0.26 1.83 0.57 -0.54 0.00 0.00 174.62 176.61 1nb2 s PRO 142 N 1.91 3.99 -1.27 3.99 0.07 -1.26 -4.91 135.00 137.51 1nb2 s PRO 142 Ca 0.09 2.25 -0.19 0.00 0.07 0.00 0.00 61.00 63.22 1nb2 s PRO 142 Cb -0.18 -4.10 0.02 0.00 0.07 0.00 0.00 34.50 30.31 1nb2 s PRO 142 CO 0.12 -1.10 1.86 0.00 0.07 0.00 0.00 177.00 177.95 1nb2 n ALA 143 N 8.01 3.49 0.00 0.57 0.00 -1.26 -2.34 120.51 128.98 1nb2 n ALA 143 Ca 0.20 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.98 1nb2 n ALA 143 Cb 0.43 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.30 1nb2 n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nb2 n ALA 144 N 9.22 0.00 0.25 0.00 0.00 -1.26 -5.03 120.51 123.69 1nb2 n ALA 144 Ca 0.49 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.06 1nb2 n ALA 144 Cb 0.45 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.43 1nb2 n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nb2 h ALA 145 N 0.00 1.00 0.00 0.00 0.00 -1.87 -3.16 119.26 115.23 1nb2 h ALA 145 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1nb2 h ALA 145 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nb2 h ALA 145 CO 0.00 0.11 -0.48 0.00 0.00 0.00 0.00 179.25 178.89 1nb2 h ALA 146 N 1.91 0.99 -0.11 0.00 0.00 -1.86 -2.95 119.26 117.23 1nb2 h ALA 146 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nb2 h ALA 146 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nb2 h ALA 146 CO 0.01 0.60 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 1nb2 n ASP 147 N -3.64 0.79 0.02 0.00 8.00 -1.19 -4.01 116.55 116.52 1nb2 n ASP 147 Ca -0.01 -2.02 -0.02 0.00 0.71 0.00 0.00 54.79 53.45 1nb2 n ASP 147 Cb 0.55 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 1nb2 n ASP 147 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1nb2 n ILE 148 N -0.13 0.77 -3.29 0.53 5.41 -1.12 -5.10 119.36 116.43 1nb2 n ILE 148 Ca 0.04 0.21 -0.22 0.00 1.00 0.00 0.00 62.75 63.78 1nb2 n ILE 148 Cb 0.15 -1.60 0.04 0.00 -0.71 0.00 0.00 39.64 37.52 1nb2 n ILE 148 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1nb2 s TYR 149 N -2.06 1.46 0.00 1.39 1.51 -1.16 -5.18 117.35 113.30 1nb2 s TYR 149 Ca -0.03 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1nb2 s TYR 149 Cb 0.01 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 1nb2 s TYR 149 CO 0.04 -0.96 0.00 0.41 -1.11 0.00 0.00 175.55 173.93