#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsq h ALA 3 N 0.00 0.82 0.00 0.00 0.00 -2.00 -2.40 119.26 115.68 1nsq h ALA 3 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1nsq h ALA 3 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nsq h ALA 3 CO 0.00 0.71 0.00 0.09 0.00 0.00 0.00 179.25 180.05 1nsq n ASN 4 N -3.91 0.00 -1.07 0.00 5.03 -1.26 -3.05 115.26 111.00 1nsq n ASN 4 Ca -0.03 0.46 0.12 0.00 0.87 0.00 0.00 54.58 56.00 1nsq n ASN 4 Cb 0.61 -0.48 0.20 0.00 -1.02 0.00 0.00 39.78 39.08 1nsq n ASN 4 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1nsq n LYS 5 N -1.48 2.42 -1.71 3.52 5.02 -0.90 -3.50 118.16 121.52 1nsq n LYS 5 Ca 0.06 -2.12 -0.37 0.00 -2.02 0.00 0.00 58.31 53.85 1nsq n LYS 5 Cb 0.26 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.83 1nsq n LYS 5 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1nsq n GLU 6 N 1.39 1.18 -4.14 1.97 2.13 -1.17 -4.74 120.64 117.26 1nsq n GLU 6 Ca 0.18 0.45 -0.15 0.00 0.66 0.00 0.00 57.16 58.31 1nsq n GLU 6 Cb 0.59 -2.48 -0.11 0.00 0.27 0.00 0.00 31.44 29.71 1nsq n GLU 6 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1nsq s ARG 7 N -3.18 0.73 0.10 5.31 0.52 -1.26 -1.18 118.95 119.99 1nsq s ARG 7 Ca 0.80 -0.98 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 1nsq s ARG 7 Cb -0.39 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 1nsq s ARG 7 CO 0.43 0.09 -0.06 -0.08 0.02 0.00 0.00 175.30 175.70 1nsq s THR 8 N -1.87 0.66 -0.23 0.02 -1.32 -0.87 -4.69 115.64 107.34 1nsq s THR 8 Ca -0.01 -1.93 -0.08 0.00 -1.21 0.00 0.00 61.69 58.46 1nsq s THR 8 Cb -0.07 -1.68 -0.03 0.00 -1.51 0.00 0.00 72.50 69.21 1nsq s THR 8 CO 0.00 -0.87 0.08 0.12 -2.21 0.00 0.00 174.62 171.74 1nsq s PHE 9 N -3.65 3.14 -0.08 9.09 5.36 -1.26 -2.48 117.98 128.10 1nsq s PHE 9 Ca 0.12 -0.21 0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1nsq s PHE 9 Cb 0.05 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.52 1nsq s PHE 9 CO -0.05 -0.19 -0.22 0.42 -1.46 0.00 0.00 175.22 173.72 1nsq s ILE 10 N 1.28 2.29 -0.05 3.12 -1.09 -0.39 -1.65 121.20 124.72 1nsq s ILE 10 Ca 0.05 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 1nsq s ILE 10 Cb -0.15 -1.87 0.02 0.00 -1.58 0.00 0.00 42.46 38.89 1nsq s ILE 10 CO 0.04 0.56 -0.03 -0.32 -1.23 0.00 0.00 174.94 173.96 1nsq s MET 11 N 0.04 0.69 -0.16 2.79 1.75 -1.26 -0.44 119.30 122.70 1nsq s MET 11 Ca -0.09 -0.03 -0.28 0.00 -1.25 0.00 0.00 55.69 54.05 1nsq s MET 11 Cb -0.15 -0.80 -0.01 0.00 2.84 0.00 0.00 34.83 36.71 1nsq s MET 11 CO 0.05 -0.14 0.95 0.08 -0.65 0.00 0.00 175.02 175.32 1nsq s VAL 12 N 1.16 4.79 0.93 10.11 1.01 -0.27 -4.34 120.40 133.79 1nsq s VAL 12 Ca -0.07 1.89 -0.14 0.00 0.00 0.00 0.00 61.98 63.66 1nsq s VAL 12 Cb -0.14 -4.25 0.15 0.00 0.00 0.00 0.00 36.38 32.15 1nsq s VAL 12 CO -0.01 -0.03 1.18 -0.54 0.00 0.00 0.00 175.10 175.69 1nsq s LYS 13 N 2.37 0.96 0.31 2.72 1.02 -0.05 -1.45 119.74 125.63 1nsq s LYS 13 Ca 0.43 0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.55 1nsq s LYS 13 Cb -0.17 -1.84 0.68 0.00 -0.52 0.00 0.00 37.83 35.98 1nsq s LYS 13 CO 0.13 -2.28 1.84 -1.35 -0.92 0.00 0.00 175.35 172.78 1nsq h PRO 14 N -1.55 0.83 0.00 -1.68 0.11 -1.84 -1.91 132.00 125.95 1nsq h PRO 14 Ca -0.48 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1nsq h PRO 14 Cb 1.31 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1nsq h PRO 14 CO 0.55 0.55 -0.36 0.38 -0.21 0.00 0.00 178.00 178.90 1nsq h ASP 15 N 0.85 0.00 -0.03 -2.05 2.03 -1.88 -0.80 116.42 114.54 1nsq h ASP 15 Ca 0.48 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.59 1nsq h ASP 15 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1nsq h ASP 15 CO -0.25 0.36 -0.70 1.23 -1.03 0.00 0.00 179.24 178.86 1nsq h GLY 16 N 1.48 0.73 0.67 7.15 0.00 -1.52 -0.40 103.07 111.18 1nsq h GLY 16 Ca -0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 47.33 46.31 1nsq h GLY 16 CO 0.05 0.87 -0.08 -2.08 0.00 0.00 0.00 176.54 175.30 1nsq h VAL 17 N 0.47 1.35 -0.79 4.60 2.07 -1.29 -0.67 116.25 121.99 1nsq h VAL 17 Ca -0.03 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1nsq h VAL 17 Cb 1.30 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 1nsq h VAL 17 CO 0.14 0.34 0.52 1.56 0.02 0.00 0.00 177.57 180.15 1nsq h GLN 18 N -0.17 1.03 -0.28 1.57 1.08 -1.13 -2.34 115.11 114.87 1nsq h GLN 18 Ca 0.02 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1nsq h GLN 18 Cb 0.58 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1nsq h GLN 18 CO 0.02 0.68 0.00 0.54 -0.95 0.00 0.00 178.83 179.12 1nsq n ARG 19 N -4.42 1.69 -3.33 1.46 1.74 -0.16 -4.94 116.66 108.70 1nsq n ARG 19 Ca 0.09 -1.07 -0.18 0.00 -0.77 0.00 0.00 57.85 55.92 1nsq n ARG 19 Cb 0.04 -1.26 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 1nsq n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nsq n GLY 20 N 1.00 -0.20 0.95 -0.13 0.00 -0.88 -4.95 105.19 100.98 1nsq n GLY 20 Ca 0.11 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1nsq n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nsq n LEU 21 N -3.93 3.11 0.16 0.99 4.77 -0.28 -4.69 117.00 117.13 1nsq n LEU 21 Ca -0.01 -1.47 -0.14 0.00 -0.03 0.00 0.00 56.01 54.36 1nsq n LEU 21 Cb 0.55 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1nsq n LEU 21 CO 0.50 0.67 0.66 0.58 -1.33 0.00 0.00 177.39 178.47 1nsq h VAL 22 N 3.74 0.36 -0.52 4.08 2.07 -1.90 -1.44 116.25 122.64 1nsq h VAL 22 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1nsq h VAL 22 Cb 0.86 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1nsq h VAL 22 CO 0.00 0.00 0.08 1.23 0.02 0.00 0.00 177.57 178.90 1nsq h GLY 23 N -0.59 0.88 0.93 2.17 0.00 -1.97 -2.16 103.07 102.34 1nsq h GLY 23 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1nsq h GLY 23 CO -0.11 0.50 0.14 0.50 0.00 0.00 0.00 176.54 177.57 1nsq h LYS 24 N 0.78 0.52 -0.44 4.80 1.57 -1.82 -0.32 116.57 121.67 1nsq h LYS 24 Ca 0.16 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1nsq h LYS 24 Cb 0.35 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1nsq h LYS 24 CO 0.01 0.51 0.17 0.82 -0.57 0.00 0.00 179.45 180.39 1nsq h ILE 25 N 0.42 1.20 -0.51 1.86 2.04 -1.16 -2.40 117.51 118.96 1nsq h ILE 25 Ca 0.12 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 1nsq h ILE 25 Cb 0.18 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1nsq h ILE 25 CO -0.01 0.23 0.02 0.40 0.00 0.00 0.00 178.15 178.79 1nsq h ILE 26 N 0.57 1.24 -0.66 -0.67 2.04 -1.24 -2.41 117.51 116.38 1nsq h ILE 26 Ca 0.15 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.04 1nsq h ILE 26 Cb 0.20 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1nsq h ILE 26 CO -0.01 0.36 0.40 -0.08 0.00 0.00 0.00 178.15 178.81 1nsq h GLU 27 N 0.79 0.74 -0.83 2.37 4.81 -0.94 -1.32 114.58 120.19 1nsq h GLU 27 Ca 0.15 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1nsq h GLU 27 Cb 0.45 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1nsq h GLU 27 CO 0.02 0.49 0.50 0.00 -0.73 0.00 0.00 179.01 179.29 1nsq h ARG 28 N 0.76 0.88 -0.19 1.92 2.47 -0.91 -1.05 114.38 118.26 1nsq h ARG 28 Ca 0.28 -0.05 -0.20 0.00 -1.26 0.00 0.00 59.98 58.75 1nsq h ARG 28 Cb 0.09 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1nsq h ARG 28 CO -0.14 0.58 -0.66 0.74 0.56 0.00 0.00 179.97 181.05 1nsq h PHE 29 N 0.90 0.93 -0.01 3.04 0.04 -1.36 -3.12 116.94 117.36 1nsq h PHE 29 Ca 0.37 -0.37 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1nsq h PHE 29 Cb 0.21 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1nsq h PHE 29 CO -0.04 1.18 0.00 0.93 -0.60 0.00 0.00 178.31 179.78 1nsq h GLU 30 N 0.52 0.02 0.00 1.51 5.08 -0.89 -2.81 114.58 118.02 1nsq h GLU 30 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nsq h GLU 30 Cb 1.26 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1nsq h GLU 30 CO 0.13 0.26 -0.04 -0.56 -1.00 0.00 0.00 179.01 177.80 1nsq h GLN 31 N -0.21 0.00 0.00 2.33 3.07 -1.29 -2.42 115.11 116.59 1nsq h GLN 31 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.62 1nsq h GLN 31 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 1nsq h GLN 31 CO 0.00 0.04 -0.61 -0.22 0.09 0.00 0.00 178.83 178.13 1nsq h LYS 32 N 0.00 0.00 0.00 0.06 1.63 -1.46 -3.48 116.57 113.32 1nsq h LYS 32 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nsq h LYS 32 Cb 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1nsq h LYS 32 CO 0.01 0.61 0.00 0.41 -3.45 0.00 0.00 179.45 177.02 1nsq n GLY 33 N 0.67 0.85 3.78 5.01 0.00 -0.91 -5.11 105.19 109.48 1nsq n GLY 33 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1nsq n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nsq s PHE 34 N -2.00 3.03 -0.17 1.61 0.08 -1.07 -5.02 117.98 114.44 1nsq s PHE 34 Ca 0.00 1.59 -0.15 0.00 0.12 0.00 0.00 56.93 58.49 1nsq s PHE 34 Cb 0.00 -3.20 -0.04 0.00 -0.57 0.00 0.00 43.02 39.21 1nsq s PHE 34 CO 0.00 -1.02 0.34 0.21 -0.10 0.00 0.00 175.22 174.65 1nsq s LYS 35 N -2.82 4.23 -0.01 0.44 2.20 -0.62 -4.56 119.74 118.59 1nsq s LYS 35 Ca 0.63 0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.09 1nsq s LYS 35 Cb -0.23 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1nsq s LYS 35 CO 0.27 0.14 1.21 -1.17 -0.36 0.00 0.00 175.35 175.44 1nsq s LEU 36 N 0.77 4.31 -0.10 5.43 2.96 -1.26 -0.35 118.68 130.45 1nsq s LEU 36 Ca 0.18 1.90 0.07 0.00 -0.22 0.00 0.00 54.13 56.06 1nsq s LEU 36 Cb -0.14 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 1nsq s LEU 36 CO 0.06 -0.55 0.02 0.52 -1.32 0.00 0.00 176.35 175.07 1nsq n VAL 37 N 4.38 0.65 -3.64 1.68 0.31 0.44 -4.93 118.33 117.21 1nsq n VAL 37 Ca 0.10 -0.38 -0.16 0.00 -0.01 0.00 0.00 64.34 63.90 1nsq n VAL 37 Cb 0.46 -0.77 -0.07 0.00 -0.91 0.00 0.00 33.84 32.55 1nsq n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nsq s ALA 38 N -2.23 -1.28 -0.27 3.52 0.00 -1.10 -0.58 121.76 119.81 1nsq s ALA 38 Ca -0.06 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.52 1nsq s ALA 38 Cb 0.03 -0.00 0.08 0.00 0.00 0.00 0.00 23.12 23.23 1nsq s ALA 38 CO 0.37 -0.31 0.78 -1.17 0.00 0.00 0.00 175.76 175.43 1nsq s LEU 39 N -1.19 -0.72 0.14 0.00 2.96 -1.26 -1.54 118.68 117.08 1nsq s LEU 39 Ca -0.12 1.34 -0.24 0.00 -0.22 0.00 0.00 54.13 54.89 1nsq s LEU 39 Cb -0.03 2.34 0.07 0.00 0.50 0.00 0.00 46.19 49.07 1nsq s LEU 39 CO 0.07 -0.23 0.74 -1.59 -1.32 0.00 0.00 176.35 174.02 1nsq s LYS 40 N 0.55 1.26 -0.14 1.98 -2.85 -1.05 -5.03 119.74 114.46 1nsq s LYS 40 Ca -0.01 -0.56 0.02 0.00 -1.00 0.00 0.00 55.97 54.42 1nsq s LYS 40 Cb -0.05 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.25 1nsq s LYS 40 CO -0.03 -0.56 -0.22 0.12 0.10 0.00 0.00 175.35 174.76 1nsq s PHE 41 N -3.58 2.67 0.19 1.78 5.36 -1.26 -3.15 117.98 119.99 1nsq s PHE 41 Ca 0.05 -1.30 -0.16 0.00 -0.96 0.00 0.00 56.93 54.56 1nsq s PHE 41 Cb -0.02 -1.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 1nsq s PHE 41 CO -0.06 -0.59 0.49 -0.08 -1.46 0.00 0.00 175.22 173.52 1nsq s THR 42 N 0.78 0.03 -0.29 0.12 -1.32 -0.81 -5.00 115.64 109.15 1nsq s THR 42 Ca -0.08 -0.85 -0.08 0.00 -1.21 0.00 0.00 61.69 59.47 1nsq s THR 42 Cb -0.16 -1.61 -0.01 0.00 -1.51 0.00 0.00 72.50 69.22 1nsq s THR 42 CO -0.01 -0.14 0.11 0.86 -2.21 0.00 0.00 174.62 173.22 1nsq s TRP 43 N -3.88 3.14 0.07 9.09 -0.11 -1.26 -0.51 118.94 125.47 1nsq s TRP 43 Ca 0.10 -0.61 -0.30 0.00 1.22 0.00 0.00 56.10 56.51 1nsq s TRP 43 Cb -0.00 -2.29 -0.05 0.00 -1.50 0.00 0.00 33.47 29.63 1nsq s TRP 43 CO -0.03 -0.45 0.98 0.00 -4.62 0.00 0.00 176.95 172.83 1nsq s ALA 44 N 1.59 3.22 0.71 5.86 0.00 -1.26 -5.01 121.76 126.87 1nsq s ALA 44 Ca 0.05 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 1nsq s ALA 44 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1nsq s ALA 44 CO 0.04 -0.13 1.07 -1.54 0.00 0.00 0.00 175.76 175.21 1nsq s SER 45 N 0.43 5.11 0.19 0.00 1.04 -1.26 -4.62 113.70 114.59 1nsq s SER 45 Ca 0.49 1.71 -0.08 0.00 0.48 0.00 0.00 55.95 58.55 1nsq s SER 45 Cb -0.23 -2.51 0.10 0.00 0.10 0.00 0.00 66.02 63.49 1nsq s SER 45 CO 0.29 -1.63 1.63 0.11 0.98 0.00 0.00 173.24 174.62 1nsq h LYS 46 N -0.76 0.97 -0.22 4.02 1.57 -1.96 -1.11 116.57 119.07 1nsq h LYS 46 Ca -0.44 -0.35 0.05 0.00 -1.87 0.00 0.00 60.65 58.05 1nsq h LYS 46 Cb 1.22 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.40 1nsq h LYS 46 CO 0.55 1.02 -0.15 1.49 -0.57 0.00 0.00 179.45 181.79 1nsq h GLU 47 N 0.87 -0.14 -0.48 3.15 4.81 -1.99 0.23 114.58 121.03 1nsq h GLU 47 Ca 0.14 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1nsq h GLU 47 Cb 0.65 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1nsq h GLU 47 CO 0.05 -0.09 0.26 1.25 -0.73 0.00 0.00 179.01 179.74 1nsq h LEU 48 N -0.14 0.60 -1.22 1.64 5.85 -1.90 -2.70 115.31 117.45 1nsq h LEU 48 Ca 0.13 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1nsq h LEU 48 Cb 0.33 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1nsq h LEU 48 CO -0.31 0.53 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.24 1nsq h LEU 49 N 0.64 0.49 -1.23 2.25 3.38 -0.55 -1.46 115.31 118.83 1nsq h LEU 49 Ca 0.17 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1nsq h LEU 49 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1nsq h LEU 49 CO -0.03 0.57 -0.19 -0.33 0.09 0.00 0.00 178.44 178.56 1nsq h GLU 50 N 0.50 0.00 0.17 1.13 5.08 -0.28 0.82 114.58 122.01 1nsq h GLU 50 Ca 0.11 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.16 1nsq h GLU 50 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1nsq h GLU 50 CO 0.01 0.19 -1.44 0.87 -1.00 0.00 0.00 179.01 177.63 1nsq h LYS 51 N 0.00 0.37 -0.64 2.33 1.57 -1.07 -1.55 116.57 117.58 1nsq h LYS 51 Ca -0.00 -0.63 -0.07 0.00 -1.87 0.00 0.00 60.65 58.08 1nsq h LYS 51 Cb 0.68 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 1nsq h LYS 51 CO 0.02 1.28 0.13 1.25 -0.57 0.00 0.00 179.45 181.57 1nsq h HIS 52 N 0.10 1.06 -0.50 -1.35 2.76 -0.97 -2.87 115.15 113.39 1nsq h HIS 52 Ca -0.22 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 57.80 1nsq h HIS 52 Cb 2.06 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 30.71 1nsq h HIS 52 CO 0.09 0.88 0.03 0.66 -1.30 0.00 0.00 177.93 178.29 1nsq n TYR 53 N -4.24 1.78 -0.35 5.26 4.01 0.25 -4.73 117.16 119.14 1nsq n TYR 53 Ca 0.05 -0.84 0.25 0.00 -0.16 0.00 0.00 57.90 57.19 1nsq n TYR 53 Cb 0.26 -0.48 0.51 0.00 -0.31 0.00 0.00 39.34 39.32 1nsq n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nsq h ALA 54 N 3.16 2.19 0.00 -0.72 0.00 -1.04 0.29 119.26 123.14 1nsq h ALA 54 Ca 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1nsq h ALA 54 Cb 1.86 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1nsq h ALA 54 CO 0.44 -0.70 -0.12 -0.44 0.00 0.00 0.00 179.25 178.43 1nsq h ASP 55 N 0.35 0.00 -0.28 0.00 3.32 -1.86 -2.47 116.42 115.48 1nsq h ASP 55 Ca 0.68 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.73 1nsq h ASP 55 Cb 1.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.26 1nsq h ASP 55 CO -0.43 0.12 0.00 0.18 -1.72 0.00 0.00 179.24 177.39 1nsq n LEU 56 N -3.64 2.63 -0.40 1.55 4.77 0.09 -4.56 117.00 117.45 1nsq n LEU 56 Ca -0.02 -1.12 0.32 0.00 -0.03 0.00 0.00 56.01 55.17 1nsq n LEU 56 Cb 0.24 -0.18 0.60 0.00 -2.33 0.00 0.00 43.42 41.75 1nsq n LEU 56 CO 0.30 0.56 1.21 0.28 -1.33 0.00 0.00 177.39 178.41 1nsq h SER 57 N 3.45 0.31 1.01 -1.43 0.02 -1.46 0.22 113.55 115.67 1nsq h SER 57 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1nsq h SER 57 Cb 0.76 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1nsq h SER 57 CO 0.00 -0.14 -0.46 0.00 -1.14 0.00 0.00 176.83 175.10 1nsq n ALA 58 N -2.48 2.77 -1.76 3.77 0.00 -1.26 -4.90 120.51 116.65 1nsq n ALA 58 Ca 0.34 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 1nsq n ALA 58 Cb 1.27 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 19.49 1nsq n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nsq s ARG 59 N -3.14 3.33 0.50 0.00 1.81 0.78 -4.92 118.95 117.31 1nsq s ARG 59 Ca 0.08 1.99 0.26 0.00 -1.72 0.00 0.00 55.73 56.34 1nsq s ARG 59 Cb 0.13 -2.25 1.32 0.00 -0.45 0.00 0.00 34.95 33.71 1nsq s ARG 59 CO 0.69 -0.96 2.02 -1.00 -0.68 0.00 0.00 175.30 175.36 1nsq h PRO 60 N 1.56 0.00 0.00 3.54 0.13 -1.91 -2.37 132.00 132.95 1nsq h PRO 60 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1nsq h PRO 60 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1nsq h PRO 60 CO 0.58 0.15 -0.50 1.97 -0.23 0.00 0.00 178.00 179.97 1nsq n PHE 61 N -3.61 0.60 -0.32 1.56 1.16 -1.26 -4.42 117.46 111.16 1nsq n PHE 61 Ca -0.01 0.17 -0.08 0.00 -1.87 0.00 0.00 57.45 55.66 1nsq n PHE 61 Cb 0.28 -0.69 -0.04 0.00 -1.61 0.00 0.00 39.48 37.42 1nsq n PHE 61 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nsq h PHE 62 N 0.00 -1.48 -0.52 2.97 3.57 -1.66 0.37 116.94 120.20 1nsq h PHE 62 Ca 0.00 0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1nsq h PHE 62 Cb 0.73 0.76 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 1nsq h PHE 62 CO 0.00 -0.41 0.35 -1.00 -2.23 0.00 0.00 178.31 175.02 1nsq h PRO 63 N -0.10 0.64 -0.48 6.41 0.13 -1.80 -2.03 132.00 134.78 1nsq h PRO 63 Ca 0.21 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 1nsq h PRO 63 Cb 0.52 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 1nsq h PRO 63 CO -0.85 0.43 -0.13 0.78 -0.23 0.00 0.00 178.00 178.00 1nsq h GLY 64 N 0.66 0.98 0.96 1.56 0.00 -1.26 -2.08 103.07 103.90 1nsq h GLY 64 Ca 0.20 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1nsq h GLY 64 CO -0.05 0.72 0.19 -2.00 0.00 0.00 0.00 176.54 175.40 1nsq h LEU 65 N 0.81 0.61 -0.51 3.11 5.85 -0.73 -2.12 115.31 122.33 1nsq h LEU 65 Ca 0.13 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1nsq h LEU 65 Cb 0.66 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1nsq h LEU 65 CO 0.05 0.60 0.08 0.58 -0.34 0.00 0.00 178.44 179.41 1nsq h VAL 66 N 0.58 1.25 -0.54 1.05 2.07 -1.22 -1.08 116.25 118.35 1nsq h VAL 66 Ca 0.15 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1nsq h VAL 66 Cb 0.17 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1nsq h VAL 66 CO -0.01 0.34 0.18 0.78 0.02 0.00 0.00 177.57 178.87 1nsq h ASN 67 N 0.72 0.74 -0.08 0.57 2.35 -1.26 -1.78 115.58 116.84 1nsq h ASN 67 Ca 0.15 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1nsq h ASN 67 Cb 0.40 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1nsq h ASN 67 CO 0.01 0.69 -0.07 0.22 -1.65 0.00 0.00 177.43 176.63 1nsq h TYR 68 N 0.79 0.23 0.00 1.19 3.20 -1.16 -2.62 116.97 118.60 1nsq h TYR 68 Ca 0.18 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1nsq h TYR 68 Cb 0.21 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1nsq h TYR 68 CO 0.01 0.61 0.00 0.52 -1.64 0.00 0.00 178.16 177.67 1nsq h MET 69 N -0.22 0.00 -0.29 1.82 2.86 -1.01 -0.32 114.93 117.77 1nsq h MET 69 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1nsq h MET 69 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1nsq h MET 69 CO 0.02 0.00 0.00 -1.71 1.06 0.00 0.00 176.91 176.28 1nsq n ASN 70 N -2.38 3.30 -0.19 1.22 2.85 -0.69 -4.41 115.26 114.97 1nsq n ASN 70 Ca 0.00 -1.99 0.14 0.00 -0.11 0.00 0.00 54.58 52.62 1nsq n ASN 70 Cb 0.16 -0.18 0.51 0.00 1.24 0.00 0.00 39.78 41.51 1nsq n ASN 70 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1nsq n SER 71 N 1.43 0.76 -3.60 1.20 3.41 -0.13 -4.93 113.62 111.76 1nsq n SER 71 Ca 0.18 -0.76 -0.08 0.00 -0.26 0.00 0.00 58.87 57.95 1nsq n SER 71 Cb 0.60 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 1nsq n SER 71 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1nsq s GLY 72 N -2.45 -0.39 0.86 5.00 0.00 -1.26 -5.11 107.32 103.97 1nsq s GLY 72 Ca 0.28 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.31 1nsq s GLY 72 CO 0.49 0.13 1.10 -4.14 0.00 0.00 0.00 173.10 170.67 1nsq s PRO 73 N -3.47 1.55 0.16 2.90 0.02 -1.26 -4.63 135.00 130.26 1nsq s PRO 73 Ca 0.07 1.05 0.02 0.00 0.02 0.00 0.00 61.00 62.15 1nsq s PRO 73 Cb -0.02 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 1nsq s PRO 73 CO -0.05 -2.11 -0.01 0.14 -0.33 0.00 0.00 177.00 174.65 1nsq s VAL 74 N -2.87 0.68 -0.50 3.83 -7.23 0.33 -3.88 120.40 110.77 1nsq s VAL 74 Ca 0.63 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1nsq s VAL 74 Cb -0.18 -2.04 0.13 0.00 0.56 0.00 0.00 36.38 34.85 1nsq s VAL 74 CO 0.57 -0.55 0.26 -0.69 -0.31 0.00 0.00 175.10 174.38 1nsq s VAL 75 N -3.65 2.34 0.28 1.32 1.01 -0.53 -1.93 120.40 119.24 1nsq s VAL 75 Ca 0.22 -3.17 -0.27 0.00 0.00 0.00 0.00 61.98 58.75 1nsq s VAL 75 Cb 0.06 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 1nsq s VAL 75 CO 0.02 -0.82 0.92 -2.16 0.00 0.00 0.00 175.10 173.07 1nsq s PRO 76 N -0.17 4.68 0.16 2.72 0.04 -1.19 -1.11 135.00 140.14 1nsq s PRO 76 Ca 0.17 1.36 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 1nsq s PRO 76 Cb -0.25 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.28 1nsq s PRO 76 CO -0.00 0.40 0.39 0.00 0.04 0.00 0.00 177.00 177.83 1nsq s MET 77 N -1.65 1.20 -0.07 4.56 0.23 0.41 -2.53 119.30 121.44 1nsq s MET 77 Ca 0.45 -0.94 0.03 0.00 -1.03 0.00 0.00 55.69 54.20 1nsq s MET 77 Cb -0.22 0.45 0.01 0.00 -1.53 0.00 0.00 34.83 33.54 1nsq s MET 77 CO 0.27 -0.47 -0.16 0.08 -2.03 0.00 0.00 175.02 172.71 1nsq s VAL 78 N -3.89 1.45 0.07 5.16 1.01 -0.59 -1.26 120.40 122.36 1nsq s VAL 78 Ca 0.10 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1nsq s VAL 78 Cb 0.01 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1nsq s VAL 78 CO -0.04 0.42 -0.25 0.26 0.00 0.00 0.00 175.10 175.49 1nsq s TRP 79 N 0.52 2.37 -0.03 5.22 0.52 -1.03 -0.42 118.94 126.09 1nsq s TRP 79 Ca -0.15 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.66 1nsq s TRP 79 Cb -0.16 -1.36 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 1nsq s TRP 79 CO 0.05 0.23 -0.19 -2.00 0.02 0.00 0.00 176.95 175.06 1nsq s GLU 80 N -1.58 1.71 0.00 4.98 2.12 0.53 -2.05 118.70 124.40 1nsq s GLU 80 Ca 0.13 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1nsq s GLU 80 Cb -0.10 -1.59 0.00 0.00 0.26 0.00 0.00 34.13 32.70 1nsq s GLU 80 CO 0.04 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 1nsq n GLY 81 N 2.76 1.39 3.67 -1.50 0.00 -0.32 -1.59 105.19 109.59 1nsq n GLY 81 Ca -0.16 -0.98 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 1nsq n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nsq n LEU 82 N 0.00 3.81 -2.33 0.99 7.94 -1.25 -2.27 117.00 123.89 1nsq n LEU 82 Ca 0.00 0.94 -0.16 0.00 -1.11 0.00 0.00 56.01 55.68 1nsq n LEU 82 Cb 0.00 -1.45 -0.01 0.00 0.53 0.00 0.00 43.42 42.48 1nsq n LEU 82 CO 0.00 0.07 -0.20 0.59 -1.11 0.00 0.00 177.39 176.74 1nsq n ASN 83 N 6.90 -4.80 -0.08 1.96 4.13 -1.25 -4.90 115.26 117.23 1nsq n ASN 83 Ca 0.21 0.13 0.12 0.00 1.68 0.00 0.00 54.58 56.71 1nsq n ASN 83 Cb 0.35 -4.06 0.50 0.00 -1.54 0.00 0.00 39.78 35.03 1nsq n ASN 83 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1nsq h VAL 84 N 0.00 0.90 0.22 2.41 3.04 -1.75 -0.46 116.25 120.61 1nsq h VAL 84 Ca -0.38 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.16 1nsq h VAL 84 Cb 1.27 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1nsq h VAL 84 CO 0.46 0.07 -0.11 0.58 -1.01 0.00 0.00 177.57 177.57 1nsq h VAL 85 N 0.40 0.84 -0.14 1.51 2.07 -1.87 0.61 116.25 119.67 1nsq h VAL 85 Ca 0.27 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1nsq h VAL 85 Cb 0.53 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1nsq h VAL 85 CO -0.07 0.08 -0.00 0.50 0.02 0.00 0.00 177.57 178.10 1nsq h LYS 86 N -0.48 0.25 -0.10 1.57 3.64 -1.80 -1.96 116.57 117.70 1nsq h LYS 86 Ca -0.03 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1nsq h LYS 86 Cb 0.36 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1nsq h LYS 86 CO 0.05 0.49 -0.33 1.15 -2.27 0.00 0.00 179.45 178.54 1nsq h THR 87 N -0.01 1.27 -0.41 1.00 2.02 -1.11 -2.42 112.91 113.25 1nsq h THR 87 Ca 0.04 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1nsq h THR 87 Cb 0.38 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1nsq h THR 87 CO 0.01 0.39 0.27 1.23 0.37 0.00 0.00 175.52 177.78 1nsq h GLY 88 N 1.09 0.58 0.99 2.16 0.00 0.43 -1.28 103.07 107.03 1nsq h GLY 88 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1nsq h GLY 88 CO 0.05 0.21 0.30 3.21 0.00 0.00 0.00 176.54 180.31 1nsq h ARG 89 N 0.56 0.71 -0.60 4.80 3.08 -1.05 -2.13 114.38 119.76 1nsq h ARG 89 Ca 0.15 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1nsq h ARG 89 Cb -0.06 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.79 1nsq h ARG 89 CO -0.03 0.54 0.34 0.37 -1.07 0.00 0.00 179.97 180.11 1nsq h GLN 90 N 0.69 0.63 -0.29 0.04 4.15 -0.95 -1.49 115.11 117.90 1nsq h GLN 90 Ca 0.18 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1nsq h GLN 90 Cb 0.02 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1nsq h GLN 90 CO -0.03 0.42 -0.09 0.52 -1.93 0.00 0.00 178.83 177.72 1nsq h MET 91 N 0.65 0.48 -0.25 1.69 2.86 -0.95 -2.79 114.93 116.61 1nsq h MET 91 Ca 0.26 -0.12 -0.17 0.00 -2.06 0.00 0.00 59.70 57.60 1nsq h MET 91 Cb 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1nsq h MET 91 CO -0.14 0.57 -0.53 -0.07 1.06 0.00 0.00 176.91 177.80 1nsq h LEU 92 N 0.45 0.82 0.00 1.22 3.38 -0.75 -0.57 115.31 119.85 1nsq h LEU 92 Ca 0.09 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1nsq h LEU 92 Cb 0.43 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1nsq h LEU 92 CO 0.02 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.35 1nsq n GLY 93 N 0.29 -3.21 3.75 0.83 0.00 -0.62 -1.24 105.19 104.99 1nsq n GLY 93 Ca -0.04 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 1nsq n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nsq s ALA 94 N -1.30 2.40 0.20 4.61 0.00 -1.26 -4.83 121.76 121.57 1nsq s ALA 94 Ca 0.00 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1nsq s ALA 94 Cb 0.00 -3.43 0.23 0.00 0.00 0.00 0.00 23.12 19.92 1nsq s ALA 94 CO 0.00 -1.40 1.73 1.15 0.00 0.00 0.00 175.76 177.24 1nsq h THR 95 N 0.38 0.75 -3.55 0.00 2.02 -1.96 -3.34 112.91 107.21 1nsq h THR 95 Ca -0.49 -0.11 -0.60 0.00 0.77 0.00 0.00 66.41 65.98 1nsq h THR 95 Cb 1.29 0.39 -0.10 0.00 -1.74 0.00 0.00 68.15 67.99 1nsq h THR 95 CO 0.53 0.06 0.54 0.21 0.37 0.00 0.00 175.52 177.24 1nsq s ASN 96 N -5.36 6.59 0.40 4.18 3.84 -1.26 -4.75 114.94 118.59 1nsq s ASN 96 Ca -0.13 0.38 0.17 0.00 0.21 0.00 0.00 52.86 53.49 1nsq s ASN 96 Cb 0.16 -2.44 1.08 0.00 -0.55 0.00 0.00 41.25 39.49 1nsq s ASN 96 CO 0.74 -0.89 1.81 -0.65 -2.79 0.00 0.00 177.10 175.31 1nsq h PRO 97 N 8.67 0.41 0.00 0.43 0.11 -1.77 -0.03 132.00 139.82 1nsq h PRO 97 Ca -0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1nsq h PRO 97 Cb 1.08 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1nsq h PRO 97 CO 0.98 0.27 -0.04 0.00 -0.21 0.00 0.00 178.00 179.01 1nsq h ALA 98 N 1.61 1.32 -0.00 -0.75 0.00 -1.88 0.72 119.26 120.28 1nsq h ALA 98 Ca 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1nsq h ALA 98 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nsq h ALA 98 CO -0.24 0.05 -0.62 -0.25 0.00 0.00 0.00 179.25 178.18 1nsq n ASP 99 N -3.60 0.81 -4.72 0.00 8.00 -0.04 -4.91 116.55 112.09 1nsq n ASP 99 Ca -0.02 -0.63 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 1nsq n ASP 99 Cb 0.13 0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1nsq n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nsq s SER 100 N -2.91 7.19 0.39 -2.24 0.01 0.25 -4.63 113.70 111.76 1nsq s SER 100 Ca 0.12 1.98 -0.16 0.00 1.31 0.00 0.00 55.95 59.20 1nsq s SER 100 Cb 0.17 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 1nsq s SER 100 CO 0.72 -0.35 0.83 -0.76 0.41 0.00 0.00 173.24 174.09 1nsq s LEU 101 N 0.58 3.94 0.34 2.44 1.43 -1.26 -4.44 118.68 121.71 1nsq s LEU 101 Ca 0.54 1.40 -0.29 0.00 -1.03 0.00 0.00 54.13 54.75 1nsq s LEU 101 Cb -0.28 -4.24 -0.12 0.00 0.03 0.00 0.00 46.19 41.58 1nsq s LEU 101 CO 0.31 -0.32 1.47 -2.65 0.23 0.00 0.00 176.35 175.38 1nsq n PRO 102 N -0.73 2.50 0.00 1.29 -0.02 -1.26 -2.03 135.00 134.76 1nsq n PRO 102 Ca 0.05 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1nsq n PRO 102 Cb 0.54 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1nsq n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nsq n GLY 103 N 1.12 2.47 3.93 -1.23 0.00 -1.26 -4.98 105.19 105.25 1nsq n GLY 103 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1nsq n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nsq s THR 104 N -2.34 3.59 0.09 2.61 -4.23 -0.86 -4.94 115.64 109.55 1nsq s THR 104 Ca 0.00 -0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.08 1nsq s THR 104 Cb 0.00 -3.39 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 1nsq s THR 104 CO 0.00 -0.35 1.59 0.40 -0.54 0.00 0.00 174.62 175.72 1nsq h ILE 105 N 0.00 1.20 -0.08 2.99 2.04 -1.09 -1.76 117.51 120.81 1nsq h ILE 105 Ca -0.45 -0.63 -0.17 0.00 1.00 0.00 0.00 64.86 64.62 1nsq h ILE 105 Cb 1.26 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1nsq h ILE 105 CO 0.59 0.20 -0.67 0.03 0.00 0.00 0.00 178.15 178.30 1nsq h ARG 106 N 0.18 0.32 -0.75 2.37 3.08 -1.43 -1.71 114.38 116.44 1nsq h ARG 106 Ca 0.07 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1nsq h ARG 106 Cb 0.25 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1nsq h ARG 106 CO -0.00 0.88 0.28 0.78 -1.07 0.00 0.00 179.97 180.83 1nsq h GLY 107 N 1.40 1.23 1.64 0.04 0.00 -1.67 -2.78 103.07 102.93 1nsq h GLY 107 Ca -0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 47.33 46.36 1nsq h GLY 107 CO 0.11 0.65 -1.25 -0.55 0.00 0.00 0.00 176.54 175.50 1nsq h ASP 108 N 1.10 0.30 -0.01 0.19 3.32 -1.31 -3.43 116.42 116.58 1nsq h ASP 108 Ca 0.25 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1nsq h ASP 108 Cb 0.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1nsq h ASP 108 CO -0.02 1.27 -0.11 0.49 -1.72 0.00 0.00 179.24 179.15 1nsq n PHE 109 N -3.46 0.00 -4.09 4.55 3.72 -0.65 -5.08 117.46 112.46 1nsq n PHE 109 Ca -0.08 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.18 1nsq n PHE 109 Cb 1.01 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.50 1nsq n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nsq n ILE 111 N -0.55 0.09 -4.01 0.00 5.41 -1.26 -4.76 119.36 114.27 1nsq n ILE 111 Ca 0.01 0.03 -0.32 0.00 1.00 0.00 0.00 62.75 63.46 1nsq n ILE 111 Cb 0.62 -1.19 -0.06 0.00 -0.71 0.00 0.00 39.64 38.30 1nsq n ILE 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1nsq s GLN 112 N -2.00 3.20 0.37 0.38 0.74 -1.26 -3.75 119.66 117.34 1nsq s GLN 112 Ca 0.00 -0.46 0.05 0.00 0.05 0.00 0.00 55.36 55.01 1nsq s GLN 112 Cb 0.00 -2.94 0.75 0.00 1.10 0.00 0.00 33.01 31.92 1nsq s GLN 112 CO 0.00 0.64 2.00 -0.24 -0.55 0.00 0.00 175.29 177.14 1nsq h VAL 113 N 2.86 1.07 0.00 1.34 3.04 -1.95 -1.39 116.25 121.22 1nsq h VAL 113 Ca -0.48 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1nsq h VAL 113 Cb 1.18 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1nsq h VAL 113 CO 0.67 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.97 1nsq n GLY 114 N -1.46 -1.09 2.31 3.17 0.00 -1.26 -3.30 105.19 103.56 1nsq n GLY 114 Ca 0.08 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1nsq n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nsq n ARG 115 N -1.36 1.33 -1.18 1.61 5.12 -0.53 -4.96 116.66 116.69 1nsq n ARG 115 Ca 0.09 -3.62 -0.22 0.00 -1.93 0.00 0.00 57.85 52.17 1nsq n ARG 115 Cb 0.20 -1.76 0.18 0.00 -1.16 0.00 0.00 32.46 29.92 1nsq n ARG 115 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1nsq n ASN 116 N 0.29 3.63 0.00 0.55 6.94 -1.17 -4.44 115.26 121.06 1nsq n ASN 116 Ca 0.26 -3.63 0.00 0.00 -0.02 0.00 0.00 54.58 51.18 1nsq n ASN 116 Cb 0.60 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 1nsq n ASN 116 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1nsq n ILE 117 N -1.15 0.00 -2.59 1.53 -5.35 -1.26 -4.93 119.36 105.61 1nsq n ILE 117 Ca 0.57 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.05 1nsq n ILE 117 Cb 1.60 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 1nsq n ILE 117 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nsq n ILE 118 N 0.00 0.00 0.00 7.28 3.06 -1.26 -0.87 119.36 127.57 1nsq n ILE 118 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1nsq n ILE 118 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1nsq n ILE 118 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1nsq n GLY 120 N 0.00 1.98 3.65 4.50 0.00 -1.26 -4.90 105.19 109.17 1nsq n GLY 120 Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1nsq n GLY 120 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nsq n SER 121 N 0.00 1.96 0.01 1.61 7.64 -0.66 -4.92 113.62 119.26 1nsq n SER 121 Ca 0.00 1.14 0.13 0.00 1.01 0.00 0.00 58.87 61.15 1nsq n SER 121 Cb 0.00 -1.40 0.35 0.00 -1.01 0.00 0.00 64.21 62.15 1nsq n SER 121 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nsq n ASP 122 N 0.75 0.37 -3.65 6.43 5.68 -1.26 -4.80 116.55 120.08 1nsq n ASP 122 Ca 0.07 0.01 -0.08 0.00 -0.50 0.00 0.00 54.79 54.29 1nsq n ASP 122 Cb 0.36 0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.33 1nsq n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nsq s ALA 123 N -3.01 -1.48 0.18 2.12 0.00 -1.26 -4.96 121.76 113.35 1nsq s ALA 123 Ca 0.12 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.12 1nsq s ALA 123 Cb 0.18 0.79 0.13 0.00 0.00 0.00 0.00 23.12 24.21 1nsq s ALA 123 CO 0.65 -0.91 1.82 0.28 0.00 0.00 0.00 175.76 177.60 1nsq h VAL 124 N 2.00 1.04 0.16 0.00 2.07 -1.93 0.47 116.25 120.07 1nsq h VAL 124 Ca -0.25 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1nsq h VAL 124 Cb 1.27 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1nsq h VAL 124 CO 0.29 0.12 -0.20 -0.33 0.02 0.00 0.00 177.57 177.47 1nsq h GLU 125 N 0.64 -0.40 0.00 1.57 3.07 -1.97 -1.05 114.58 116.44 1nsq h GLU 125 Ca 0.23 0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 1nsq h GLU 125 Cb 0.04 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1nsq h GLU 125 CO -0.11 -0.27 -0.47 0.66 -1.40 0.00 0.00 179.01 177.42 1nsq h SER 126 N -0.42 0.00 -0.61 1.42 4.64 -1.91 -2.66 113.55 114.01 1nsq h SER 126 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1nsq h SER 126 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1nsq h SER 126 CO -0.08 0.47 0.22 0.00 -0.87 0.00 0.00 176.83 176.57 1nsq h ALA 127 N 1.53 0.80 -0.66 5.18 0.00 -0.45 0.90 119.26 126.55 1nsq h ALA 127 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1nsq h ALA 127 Cb 0.88 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1nsq h ALA 127 CO 0.06 0.45 0.31 0.93 0.00 0.00 0.00 179.25 180.99 1nsq h GLU 128 N 0.87 0.96 -0.34 0.00 5.08 -1.04 -0.94 114.58 119.18 1nsq h GLU 128 Ca 0.20 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1nsq h GLU 128 Cb 0.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1nsq h GLU 128 CO -0.01 0.78 0.02 -0.22 -1.00 0.00 0.00 179.01 178.57 1nsq h LYS 129 N 0.92 0.58 -0.44 2.33 3.64 -1.10 -2.90 116.57 119.60 1nsq h LYS 129 Ca 0.23 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1nsq h LYS 129 Cb 0.14 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1nsq h LYS 129 CO -0.03 0.69 0.11 0.93 -2.27 0.00 0.00 179.45 178.89 1nsq h GLU 130 N 0.40 0.71 -0.75 1.90 5.08 -0.61 -2.05 114.58 119.25 1nsq h GLU 130 Ca 0.10 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1nsq h GLU 130 Cb 0.42 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1nsq h GLU 130 CO 0.01 0.70 0.47 0.82 -1.00 0.00 0.00 179.01 180.02 1nsq h ILE 131 N 0.58 1.09 -0.14 3.13 2.04 -1.19 -0.66 117.51 122.36 1nsq h ILE 131 Ca 0.14 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1nsq h ILE 131 Cb 0.31 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1nsq h ILE 131 CO 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 178.15 178.07 1nsq h ALA 132 N 1.33 1.31 -0.15 1.87 0.00 -1.29 0.05 119.26 122.37 1nsq h ALA 132 Ca 0.31 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1nsq h ALA 132 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nsq h ALA 132 CO -0.12 0.47 -0.21 -0.07 0.00 0.00 0.00 179.25 179.32 1nsq h LEU 133 N 0.23 0.44 0.00 0.00 3.38 -0.63 -3.37 115.31 115.37 1nsq h LEU 133 Ca 0.04 -0.51 -0.19 0.00 0.09 0.00 0.00 57.88 57.30 1nsq h LEU 133 Cb 0.57 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1nsq h LEU 133 CO 0.04 0.87 -1.22 -0.50 0.09 0.00 0.00 178.44 177.72 1nsq h TRP 134 N 0.03 0.00 -3.33 1.13 4.06 -0.96 -3.48 115.95 113.40 1nsq h TRP 134 Ca 0.02 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.60 1nsq h TRP 134 Cb 0.77 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.77 1nsq h TRP 134 CO 0.09 0.75 -0.73 -0.06 -3.56 0.00 0.00 178.44 174.93 1nsq s PHE 135 N -2.81 1.38 0.32 0.49 0.08 -0.01 -5.09 117.98 112.33 1nsq s PHE 135 Ca -0.01 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.40 1nsq s PHE 135 Cb 0.09 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.82 1nsq s PHE 135 CO 0.80 0.15 0.48 -0.80 -0.10 0.00 0.00 175.22 175.75 1nsq s ASN 136 N -3.03 6.18 0.28 1.36 0.02 -1.26 -4.48 114.94 114.01 1nsq s ASN 136 Ca 0.16 0.16 0.01 0.00 -1.02 0.00 0.00 52.86 52.17 1nsq s ASN 136 Cb 0.00 -1.74 0.56 0.00 0.02 0.00 0.00 41.25 40.09 1nsq s ASN 136 CO 0.02 -0.29 1.83 -0.33 0.02 0.00 0.00 177.10 178.35 1nsq h GLU 137 N 0.89 0.94 0.00 -0.60 4.39 -1.96 -0.64 114.58 117.60 1nsq h GLU 137 Ca -0.49 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 1nsq h GLU 137 Cb 1.23 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1nsq h GLU 137 CO 0.59 0.62 -0.09 0.87 -1.16 0.00 0.00 179.01 179.85 1nsq h LYS 138 N 0.97 0.00 0.00 2.33 1.57 -2.04 -2.82 116.57 116.58 1nsq h LYS 138 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1nsq h LYS 138 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1nsq h LYS 138 CO -0.28 0.09 -0.20 0.39 -0.57 0.00 0.00 179.45 178.88 1nsq n GLU 139 N -3.60 0.08 -3.02 3.15 1.02 -0.25 -4.76 120.64 113.26 1nsq n GLU 139 Ca -0.02 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1nsq n GLU 139 Cb 0.21 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 1nsq n GLU 139 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nsq s LEU 140 N -3.39 4.13 -0.12 -4.62 1.43 -1.07 -4.57 118.68 110.48 1nsq s LEU 140 Ca 0.12 0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.54 1nsq s LEU 140 Cb 0.17 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1nsq s LEU 140 CO 0.61 -0.59 0.45 -0.69 0.23 0.00 0.00 176.35 176.36 1nsq s VAL 141 N 2.84 5.21 -0.22 -1.59 1.01 0.25 -5.04 120.40 122.86 1nsq s VAL 141 Ca 0.29 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 1nsq s VAL 141 Cb -0.14 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1nsq s VAL 141 CO 0.13 0.34 -0.00 0.28 0.00 0.00 0.00 175.10 175.85 1nsq s THR 142 N 0.60 3.82 0.29 3.92 -1.32 -1.26 -4.71 115.64 116.98 1nsq s THR 142 Ca 0.25 -0.35 -0.13 0.00 -1.21 0.00 0.00 61.69 60.25 1nsq s THR 142 Cb -0.15 -2.75 0.01 0.00 -1.51 0.00 0.00 72.50 68.11 1nsq s THR 142 CO 0.09 0.41 0.57 -1.66 -2.21 0.00 0.00 174.62 171.82 1nsq s TRP 143 N 1.29 0.32 -0.16 9.09 1.48 -1.26 -5.16 118.94 124.54 1nsq s TRP 143 Ca 0.04 -0.73 0.01 0.00 -1.06 0.00 0.00 56.10 54.35 1nsq s TRP 143 Cb -0.15 0.35 0.03 0.00 -1.16 0.00 0.00 33.47 32.54 1nsq s TRP 143 CO 0.01 -1.15 -0.14 0.99 -4.06 0.00 0.00 176.95 172.59 1nsq s THR 144 N -3.60 1.64 0.28 0.66 2.01 -1.26 -5.11 115.64 110.27 1nsq s THR 144 Ca 0.20 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1nsq s THR 144 Cb -0.02 -1.57 -0.10 0.00 0.01 0.00 0.00 72.50 70.82 1nsq s THR 144 CO 0.11 0.42 1.42 -2.84 -0.69 0.00 0.00 174.62 173.03 1nsq s PRO 145 N 1.45 4.27 0.54 4.92 0.02 -1.26 -4.90 135.00 140.04 1nsq s PRO 145 Ca 0.04 2.32 0.25 0.00 0.02 0.00 0.00 61.00 63.62 1nsq s PRO 145 Cb -0.13 -3.08 1.51 0.00 0.02 0.00 0.00 34.50 32.81 1nsq s PRO 145 CO -0.11 -0.38 2.15 0.00 -0.33 0.00 0.00 177.00 178.33 1nsq h ALA 146 N 4.44 1.55 -0.22 -1.55 0.00 -2.06 -2.02 119.26 119.41 1nsq h ALA 146 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1nsq h ALA 146 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nsq h ALA 146 CO 0.74 0.08 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1nsq n ALA 147 N -2.37 2.50 -0.33 0.00 0.00 -1.26 -4.60 120.51 114.45 1nsq n ALA 147 Ca -0.03 -0.59 0.06 0.00 0.00 0.00 0.00 53.44 52.89 1nsq n ALA 147 Cb 0.15 -1.05 0.15 0.00 0.00 0.00 0.00 19.45 18.70 1nsq n ALA 147 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nsq h LYS 148 N 2.41 0.01 0.00 0.00 3.64 -1.74 0.50 116.57 121.38 1nsq h LYS 148 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nsq h LYS 148 Cb 0.53 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1nsq h LYS 148 CO 0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 1nsq n ASP 149 N -5.56 0.00 -0.51 4.20 8.00 -1.26 -1.79 116.55 119.62 1nsq n ASP 149 Ca 0.16 0.07 0.08 0.00 0.71 0.00 0.00 54.79 55.81 1nsq n ASP 149 Cb 0.51 -0.30 0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1nsq n ASP 149 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1nsq n TRP 150 N -1.30 0.00 -0.07 1.24 7.02 0.15 -4.41 117.44 120.06 1nsq n TRP 150 Ca 0.08 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.48 1nsq n TRP 150 Cb 0.15 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.95 1nsq n TRP 150 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1nsq n ILE 151 N 0.34 0.90 -4.59 -0.99 5.41 -0.90 -5.02 119.36 114.51 1nsq n ILE 151 Ca 0.08 -0.46 -0.27 0.00 1.00 0.00 0.00 62.75 63.10 1nsq n ILE 151 Cb 0.39 -0.84 -0.14 0.00 -0.71 0.00 0.00 39.64 38.34 1nsq n ILE 151 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1nsq s TYR 152 N -2.32 2.06 -2.00 1.39 2.02 -0.74 -5.13 117.35 112.63 1nsq s TYR 152 Ca -0.13 -0.39 0.17 0.00 -0.37 0.00 0.00 57.07 56.35 1nsq s TYR 152 Cb 0.05 -1.18 1.03 0.00 -0.40 0.00 0.00 41.96 41.45 1nsq s TYR 152 CO 0.46 0.18 1.43 0.39 -1.57 0.00 0.00 175.55 176.44