#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 0.52 0.00 0.00 0.00 -2.00 -2.82 119.26 114.96 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 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nsq h ALA 3 CO 0.00 0.69 0.00 0.09 0.00 0.00 0.00 179.25 180.03 1nsq n ASN 4 N -3.98 0.65 -1.05 0.00 5.03 -1.26 -2.52 115.26 112.13 1nsq n ASN 4 Ca -0.04 0.67 0.10 0.00 0.87 0.00 0.00 54.58 56.17 1nsq n ASN 4 Cb 0.64 -0.80 0.26 0.00 -1.02 0.00 0.00 39.78 38.86 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 -2.23 2.32 -2.07 3.52 4.01 -1.07 -3.28 118.16 119.36 1nsq n LYS 5 Ca 0.02 -2.04 -0.37 0.00 -0.51 0.00 0.00 58.31 55.40 1nsq n LYS 5 Cb 0.22 -1.45 0.01 0.00 -0.51 0.00 0.00 35.03 33.30 1nsq n LYS 5 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1nsq s GLU 6 N -1.28 3.44 0.13 1.97 2.12 -1.05 -4.75 118.70 119.28 1nsq s GLU 6 Ca 0.38 1.93 0.06 0.00 0.36 0.00 0.00 54.97 57.70 1nsq s GLU 6 Cb 0.20 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.27 1nsq s GLU 6 CO 0.27 -0.86 -0.14 1.03 -0.54 0.00 0.00 175.26 175.02 1nsq s ARG 7 N -2.87 1.04 0.06 4.30 0.52 -1.26 -0.55 118.95 120.20 1nsq s ARG 7 Ca 0.68 -1.27 -0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1nsq s ARG 7 Cb -0.32 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.20 1nsq s ARG 7 CO 0.38 0.17 -0.04 -0.08 0.02 0.00 0.00 175.30 175.75 1nsq s THR 8 N -2.24 0.36 -0.22 0.02 -1.32 -0.78 -4.67 115.64 106.78 1nsq s THR 8 Ca 0.10 -1.75 -0.08 0.00 -1.21 0.00 0.00 61.69 58.75 1nsq s THR 8 Cb -0.04 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.47 1nsq s THR 8 CO 0.03 -0.90 0.09 0.12 -2.21 0.00 0.00 174.62 171.75 1nsq s PHE 9 N -3.56 3.19 -0.04 9.09 5.36 -1.26 -2.22 117.98 128.54 1nsq s PHE 9 Ca 0.06 -0.07 0.05 0.00 -0.96 0.00 0.00 56.93 56.00 1nsq s PHE 9 Cb 0.05 -2.19 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1nsq s PHE 9 CO -0.07 -0.07 -0.19 0.42 -1.46 0.00 0.00 175.22 173.84 1nsq s ILE 10 N 1.05 1.61 -0.02 3.12 -1.09 -0.29 -1.88 121.20 123.70 1nsq s ILE 10 Ca 0.05 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1nsq s ILE 10 Cb -0.14 -1.37 0.03 0.00 -1.58 0.00 0.00 42.46 39.39 1nsq s ILE 10 CO 0.03 0.46 0.01 -0.32 -1.23 0.00 0.00 174.94 173.89 1nsq s MET 11 N -0.06 0.17 -0.17 2.79 -2.45 -1.26 0.46 119.30 118.79 1nsq s MET 11 Ca -0.03 0.10 -0.26 0.00 -1.25 0.00 0.00 55.69 54.25 1nsq s MET 11 Cb -0.12 -0.38 -0.01 0.00 1.25 0.00 0.00 34.83 35.57 1nsq s MET 11 CO 0.02 -0.13 0.87 0.08 1.05 0.00 0.00 175.02 176.91 1nsq s VAL 12 N 0.95 4.85 0.92 10.11 1.01 0.26 -4.43 120.40 134.08 1nsq s VAL 12 Ca -0.09 1.71 -0.13 0.00 0.00 0.00 0.00 61.98 63.47 1nsq s VAL 12 Cb -0.12 -4.17 0.15 0.00 0.00 0.00 0.00 36.38 32.23 1nsq s VAL 12 CO -0.02 0.01 1.15 -0.54 0.00 0.00 0.00 175.10 175.70 1nsq s LYS 13 N 2.23 1.05 0.36 2.72 1.02 -0.16 -1.18 119.74 125.77 1nsq s LYS 13 Ca 0.40 0.21 0.10 0.00 0.02 0.00 0.00 55.97 56.70 1nsq s LYS 13 Cb -0.17 -1.84 0.84 0.00 -0.52 0.00 0.00 37.83 36.15 1nsq s LYS 13 CO 0.12 -2.25 1.87 -1.35 -0.92 0.00 0.00 175.35 172.82 1nsq h PRO 14 N -1.53 0.64 0.00 -1.68 0.11 -1.86 -0.19 132.00 127.49 1nsq h PRO 14 Ca -0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1nsq h PRO 14 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1nsq h PRO 14 CO 0.59 0.42 -0.39 0.38 -0.21 0.00 0.00 178.00 178.79 1nsq h ASP 15 N 0.66 0.00 -0.22 -2.05 2.03 -1.89 -0.80 116.42 114.15 1nsq h ASP 15 Ca 0.45 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.57 1nsq h ASP 15 Cb 0.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1nsq h ASP 15 CO -0.21 0.39 -0.56 1.23 -1.03 0.00 0.00 179.24 179.07 1nsq h GLY 16 N 1.96 0.84 0.73 7.15 0.00 -1.22 -1.01 103.07 111.53 1nsq h GLY 16 Ca -0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.24 1nsq h GLY 16 CO 0.05 0.94 -0.05 -2.08 0.00 0.00 0.00 176.54 175.40 1nsq h VAL 17 N 0.50 1.31 -0.21 4.60 2.07 -1.28 -1.82 116.25 121.41 1nsq h VAL 17 Ca -0.01 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1nsq h VAL 17 Cb 1.17 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1nsq h VAL 17 CO 0.12 0.31 0.12 1.56 0.02 0.00 0.00 177.57 179.70 1nsq h GLN 18 N -0.07 0.28 -0.44 1.57 1.08 -1.10 -1.81 115.11 114.63 1nsq h GLN 18 Ca 0.03 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1nsq h GLN 18 Cb 0.51 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1nsq h GLN 18 CO 0.02 0.21 0.00 0.54 -0.95 0.00 0.00 178.83 178.65 1nsq n ARG 19 N -4.48 2.07 -3.35 1.46 1.74 -0.39 -4.96 116.66 108.75 1nsq n ARG 19 Ca 0.00 -1.66 -0.17 0.00 -0.77 0.00 0.00 57.85 55.25 1nsq n ARG 19 Cb 0.09 -1.37 0.08 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.24 -0.32 0.52 -0.13 0.00 -0.68 -4.95 105.19 100.87 1nsq n GLY 20 Ca 0.16 0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.01 2.89 0.25 0.99 4.77 -0.70 -4.73 117.00 116.46 1nsq n LEU 21 Ca -0.21 -2.30 -0.15 0.00 -0.03 0.00 0.00 56.01 53.33 1nsq n LEU 21 Cb 0.63 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1nsq n LEU 21 CO 0.56 0.67 0.56 0.58 -1.33 0.00 0.00 177.39 178.43 1nsq h VAL 22 N 1.40 0.48 -0.41 4.08 2.07 -1.90 -2.06 116.25 119.91 1nsq h VAL 22 Ca 0.00 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.26 1nsq h VAL 22 Cb 0.85 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1nsq h VAL 22 CO 0.05 0.05 -0.03 1.23 0.02 0.00 0.00 177.57 178.89 1nsq h GLY 23 N -0.85 0.37 0.72 2.17 0.00 -1.97 -1.96 103.07 101.54 1nsq h GLY 23 Ca -0.06 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1nsq h GLY 23 CO 0.11 -0.12 0.35 0.50 0.00 0.00 0.00 176.54 177.38 1nsq h LYS 24 N 0.07 0.64 -0.43 4.80 1.57 -1.86 -1.07 116.57 120.29 1nsq h LYS 24 Ca 0.20 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1nsq h LYS 24 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1nsq h LYS 24 CO -0.36 0.43 0.05 0.82 -0.57 0.00 0.00 179.45 179.81 1nsq h ILE 25 N 0.66 1.25 -0.79 1.86 2.04 -1.06 -2.78 117.51 118.69 1nsq h ILE 25 Ca 0.28 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1nsq h ILE 25 Cb 0.15 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1nsq h ILE 25 CO -0.17 0.32 0.31 0.40 0.00 0.00 0.00 178.15 179.01 1nsq h ILE 26 N 0.57 1.26 -0.87 -0.67 2.04 -1.02 -2.81 117.51 116.01 1nsq h ILE 26 Ca 0.13 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1nsq h ILE 26 Cb 0.41 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1nsq h ILE 26 CO 0.01 0.34 0.54 -0.08 0.00 0.00 0.00 178.15 178.96 1nsq h GLU 27 N 1.16 0.93 -0.62 2.37 4.81 -1.10 -0.55 114.58 121.58 1nsq h GLU 27 Ca 0.26 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1nsq h GLU 27 Cb 0.23 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1nsq h GLU 27 CO -0.02 0.61 0.38 0.00 -0.73 0.00 0.00 179.01 179.25 1nsq h ARG 28 N 0.95 0.73 -0.20 1.92 2.47 -1.22 -0.34 114.38 118.69 1nsq h ARG 28 Ca 0.39 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.88 1nsq h ARG 28 Cb 0.23 -0.16 0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1nsq h ARG 28 CO -0.19 0.48 -0.60 0.74 0.56 0.00 0.00 179.97 180.95 1nsq h PHE 29 N 0.75 0.99 0.11 3.04 -1.00 -1.31 -2.60 116.94 116.91 1nsq h PHE 29 Ca 0.25 -0.40 -0.00 0.00 2.81 0.00 0.00 57.97 60.63 1nsq h PHE 29 Cb 0.02 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.41 1nsq h PHE 29 CO -0.05 1.21 -0.05 0.93 -1.61 0.00 0.00 178.31 178.73 1nsq h GLU 30 N 0.49 -0.14 -0.73 1.51 5.08 -1.00 -2.56 114.58 117.23 1nsq h GLU 30 Ca -0.02 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 1nsq h GLU 30 Cb 1.22 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 1nsq h GLU 30 CO 0.13 -0.09 0.28 0.37 -1.00 0.00 0.00 179.01 178.70 1nsq h GLN 31 N -0.15 0.42 -0.21 2.33 4.15 -1.10 -2.21 115.11 118.35 1nsq h GLN 31 Ca -0.01 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1nsq h GLN 31 Cb 0.11 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1nsq h GLN 31 CO 0.02 0.28 -0.00 -0.22 -1.93 0.00 0.00 178.83 176.98 1nsq h LYS 32 N 0.44 0.31 0.00 1.69 1.63 -1.37 -3.47 116.57 115.79 1nsq h LYS 32 Ca 0.39 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1nsq h LYS 32 Cb 0.57 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1nsq h LYS 32 CO -0.39 0.34 0.00 0.41 -3.45 0.00 0.00 179.45 176.36 1nsq n GLY 33 N -1.11 0.90 3.79 5.01 0.00 -0.83 -5.11 105.19 107.85 1nsq n GLY 33 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.87 -0.23 1.61 0.08 -0.98 -5.03 117.98 114.30 1nsq s PHE 34 Ca 0.00 1.50 -0.08 0.00 0.12 0.00 0.00 56.93 58.47 1nsq s PHE 34 Cb 0.00 -2.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 1nsq s PHE 34 CO 0.00 -1.43 0.08 0.21 -0.10 0.00 0.00 175.22 173.99 1nsq s LYS 35 N -4.66 3.82 -0.01 0.44 2.20 -0.39 -4.56 119.74 116.59 1nsq s LYS 35 Ca 0.61 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 1nsq s LYS 35 Cb -0.16 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1nsq s LYS 35 CO 0.49 -0.01 1.44 -1.17 -0.36 0.00 0.00 175.35 175.74 1nsq s LEU 36 N 1.16 4.31 -0.12 5.43 2.96 -1.26 0.54 118.68 131.71 1nsq s LEU 36 Ca 0.05 2.13 0.07 0.00 -0.22 0.00 0.00 54.13 56.16 1nsq s LEU 36 Cb -0.14 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.87 1nsq s LEU 36 CO 0.04 -0.76 -0.02 0.52 -1.32 0.00 0.00 176.35 174.81 1nsq n VAL 37 N 4.80 0.78 -3.62 1.68 0.31 0.50 -4.91 118.33 117.86 1nsq n VAL 37 Ca 0.14 -0.41 -0.15 0.00 -0.01 0.00 0.00 64.34 63.91 1nsq n VAL 37 Cb 0.43 -0.81 -0.07 0.00 -0.91 0.00 0.00 33.84 32.49 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 -2.27 -1.29 -0.23 3.52 0.00 -1.15 -0.24 121.76 120.11 1nsq s ALA 38 Ca -0.10 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 1nsq s ALA 38 Cb 0.04 0.18 0.08 0.00 0.00 0.00 0.00 23.12 23.42 1nsq s ALA 38 CO 0.41 -0.39 0.79 -1.17 0.00 0.00 0.00 175.76 175.40 1nsq s LEU 39 N -1.56 -0.66 -0.10 0.00 2.96 -1.26 -1.63 118.68 116.43 1nsq s LEU 39 Ca -0.09 1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 54.67 1nsq s LEU 39 Cb -0.02 2.34 0.11 0.00 0.50 0.00 0.00 46.19 49.12 1nsq s LEU 39 CO 0.04 -0.30 0.90 -1.59 -1.32 0.00 0.00 176.35 174.08 1nsq s LYS 40 N -0.01 0.74 -0.18 1.98 -2.85 -1.03 -5.03 119.74 113.36 1nsq s LYS 40 Ca -0.01 0.08 -0.07 0.00 -1.00 0.00 0.00 55.97 54.97 1nsq s LYS 40 Cb -0.04 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1nsq s LYS 40 CO 0.01 -0.25 0.06 0.12 0.10 0.00 0.00 175.35 175.39 1nsq s PHE 41 N -1.52 3.23 0.13 1.78 5.36 -1.26 -2.82 117.98 122.88 1nsq s PHE 41 Ca -0.03 0.04 -0.24 0.00 -0.96 0.00 0.00 56.93 55.74 1nsq s PHE 41 Cb -0.00 -2.07 0.08 0.00 -0.34 0.00 0.00 43.02 40.68 1nsq s PHE 41 CO 0.01 0.13 0.65 -0.08 -1.46 0.00 0.00 175.22 174.47 1nsq s THR 42 N 0.40 0.00 -0.39 0.12 -1.32 -0.54 -4.99 115.64 108.91 1nsq s THR 42 Ca 0.03 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.39 1nsq s THR 42 Cb -0.13 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1nsq s THR 42 CO 0.00 0.00 0.24 0.86 -2.21 0.00 0.00 174.62 173.52 1nsq s TRP 43 N -3.58 3.25 0.27 9.09 -0.11 -1.26 0.12 118.94 126.72 1nsq s TRP 43 Ca 0.01 -0.98 -0.29 0.00 1.22 0.00 0.00 56.10 56.06 1nsq s TRP 43 Cb -0.01 -2.58 -0.10 0.00 -1.50 0.00 0.00 33.47 29.29 1nsq s TRP 43 CO -0.12 -0.68 1.26 0.00 -4.62 0.00 0.00 176.95 172.80 1nsq s ALA 44 N 1.56 3.49 0.45 5.86 0.00 -1.26 -5.01 121.76 126.85 1nsq s ALA 44 Ca 0.03 1.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1nsq s ALA 44 Cb -0.20 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1nsq s ALA 44 CO 0.07 -0.50 0.93 -1.54 0.00 0.00 0.00 175.76 174.72 1nsq s SER 45 N -0.26 6.77 0.39 0.00 1.04 -1.26 -4.65 113.70 115.74 1nsq s SER 45 Ca 0.51 1.57 0.06 0.00 0.48 0.00 0.00 55.95 58.56 1nsq s SER 45 Cb -0.37 -2.50 0.80 0.00 0.10 0.00 0.00 66.02 64.05 1nsq s SER 45 CO 0.45 -0.44 2.05 0.11 0.98 0.00 0.00 173.24 176.38 1nsq h LYS 46 N 1.50 0.62 -0.84 4.02 1.57 -1.95 -0.24 116.57 121.26 1nsq h LYS 46 Ca -0.48 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1nsq h LYS 46 Cb 1.18 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 1nsq h LYS 46 CO 0.62 0.41 0.54 1.49 -0.57 0.00 0.00 179.45 181.95 1nsq h GLU 47 N 0.64 1.11 -0.22 3.15 4.81 -2.00 -0.52 114.58 121.55 1nsq h GLU 47 Ca 0.17 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 59.13 1nsq h GLU 47 Cb -0.07 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.06 1nsq h GLU 47 CO -0.04 0.74 -0.63 1.25 -0.73 0.00 0.00 179.01 179.60 1nsq h LEU 48 N 1.14 0.90 -0.94 1.64 5.85 -1.55 -3.11 115.31 119.23 1nsq h LEU 48 Ca 0.31 -0.52 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 1nsq h LEU 48 Cb -0.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 1nsq h LEU 48 CO -0.06 1.31 -0.13 -0.07 -0.34 0.00 0.00 178.44 179.15 1nsq h LEU 49 N 0.58 0.62 -1.15 2.25 3.38 -0.77 -0.57 115.31 119.66 1nsq h LEU 49 Ca -0.01 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1nsq h LEU 49 Cb 1.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1nsq h LEU 49 CO 0.13 0.77 -0.38 -0.33 0.09 0.00 0.00 178.44 178.72 1nsq h GLU 50 N 0.57 0.00 -0.01 1.13 5.08 -1.14 0.30 114.58 120.51 1nsq h GLU 50 Ca 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1nsq h GLU 50 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1nsq h GLU 50 CO 0.03 0.38 -0.09 0.87 -1.00 0.00 0.00 179.01 179.20 1nsq h LYS 51 N 0.00 0.09 -0.78 2.33 1.79 -1.38 -0.78 116.57 117.84 1nsq h LYS 51 Ca -0.00 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1nsq h LYS 51 Cb 0.77 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.40 1nsq h LYS 51 CO 0.05 0.76 0.51 1.25 -1.08 0.00 0.00 179.45 180.94 1nsq h HIS 52 N -0.56 0.96 -0.61 -1.35 2.76 -0.80 -2.68 115.15 112.87 1nsq h HIS 52 Ca -0.01 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 1nsq h HIS 52 Cb 0.78 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 29.37 1nsq h HIS 52 CO 0.16 0.58 0.10 0.66 -1.30 0.00 0.00 177.93 178.13 1nsq n TYR 53 N -4.57 2.12 -0.47 5.26 4.01 0.10 -4.70 117.16 118.91 1nsq n TYR 53 Ca 0.08 -0.94 0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1nsq n TYR 53 Cb 0.05 -0.57 0.78 0.00 -0.31 0.00 0.00 39.34 39.29 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 3.25 3.41 0.00 -0.72 0.00 -0.77 0.39 119.26 124.82 1nsq h ALA 54 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nsq h ALA 54 Cb 2.07 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.98 1nsq h ALA 54 CO 0.57 -1.84 0.00 -0.25 0.00 0.00 0.00 179.25 177.73 1nsq n ASP 55 N -4.09 0.00 -1.09 0.00 8.00 -1.26 -2.34 116.55 115.76 1nsq n ASP 55 Ca 0.33 0.25 0.12 0.00 0.71 0.00 0.00 54.79 56.20 1nsq n ASP 55 Cb 1.54 -0.41 0.20 0.00 -0.02 0.00 0.00 41.12 42.44 1nsq n ASP 55 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nsq n LEU 56 N -1.41 3.30 -0.17 0.64 4.77 0.14 -4.64 117.00 119.63 1nsq n LEU 56 Ca 0.09 -1.36 -0.05 0.00 -0.03 0.00 0.00 56.01 54.66 1nsq n LEU 56 Cb 0.27 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1nsq n LEU 56 CO 0.23 0.68 0.49 0.28 -1.33 0.00 0.00 177.39 177.74 1nsq h SER 57 N 4.44 -0.95 -0.37 -1.43 0.02 -1.52 -1.97 113.55 111.77 1nsq h SER 57 Ca 0.00 0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1nsq h SER 57 Cb 0.97 0.41 -0.04 0.00 0.14 0.00 0.00 62.40 63.89 1nsq h SER 57 CO 0.00 -0.11 0.08 0.00 -1.14 0.00 0.00 176.83 175.66 1nsq n ALA 58 N -3.08 3.49 -2.89 3.77 0.00 -1.26 -4.82 120.51 115.72 1nsq n ALA 58 Ca 0.01 -1.18 -0.26 0.00 0.00 0.00 0.00 53.44 52.01 1nsq n ALA 58 Cb 0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.94 3.22 0.61 0.00 1.81 -0.74 -5.07 118.95 116.84 1nsq s ARG 59 Ca 0.30 -0.72 -0.19 0.00 -1.72 0.00 0.00 55.73 53.40 1nsq s ARG 59 Cb 0.24 -2.83 -0.03 0.00 -0.45 0.00 0.00 34.95 31.88 1nsq s ARG 59 CO 0.08 0.50 1.12 -2.30 -0.68 0.00 0.00 175.30 174.02 1nsq n PRO 60 N -0.53 1.05 -3.36 3.54 -0.02 -1.26 -3.47 135.00 130.95 1nsq n PRO 60 Ca -0.08 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 1nsq n PRO 60 Cb 0.54 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1nsq n PRO 60 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1nsq n PHE 61 N -1.73 -1.74 -0.38 6.00 3.72 -1.26 -4.89 117.46 117.19 1nsq n PHE 61 Ca 0.14 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.98 1nsq n PHE 61 Cb 0.47 -2.72 0.14 0.00 -0.94 0.00 0.00 39.48 36.43 1nsq n PHE 61 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1nsq h PHE 62 N -0.86 1.24 -0.94 1.38 3.57 -1.80 -2.54 116.94 116.99 1nsq h PHE 62 Ca -0.41 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.15 1nsq h PHE 62 Cb 1.27 -0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 1nsq h PHE 62 CO 0.69 0.72 0.62 -1.35 -2.23 0.00 0.00 178.31 176.76 1nsq h PRO 63 N 1.28 1.19 0.00 6.41 0.11 -1.91 -1.93 132.00 137.16 1nsq h PRO 63 Ca 0.40 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.41 1nsq h PRO 63 Cb -0.01 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 30.82 1nsq h PRO 63 CO -0.12 0.79 -0.15 0.78 -0.21 0.00 0.00 178.00 179.09 1nsq h GLY 64 N 1.23 0.00 0.82 -0.55 0.00 -1.86 0.16 103.07 102.88 1nsq h GLY 64 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.56 1nsq h GLY 64 CO -0.10 0.00 -0.42 -2.00 0.00 0.00 0.00 176.54 174.02 1nsq h LEU 65 N 0.00 0.55 -1.05 3.11 5.85 -1.32 -1.69 115.31 120.76 1nsq h LEU 65 Ca -0.00 -0.62 -0.07 0.00 0.84 0.00 0.00 57.88 58.02 1nsq h LEU 65 Cb 0.27 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1nsq h LEU 65 CO 0.02 1.09 -0.12 0.58 -0.34 0.00 0.00 178.44 179.66 1nsq h VAL 66 N 0.06 1.23 -0.08 1.05 2.07 -0.88 -1.09 116.25 118.61 1nsq h VAL 66 Ca -0.02 -1.04 -0.20 0.00 0.82 0.00 0.00 66.70 66.25 1nsq h VAL 66 Cb 1.05 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1nsq h VAL 66 CO 0.09 0.34 -0.78 0.78 0.02 0.00 0.00 177.57 178.02 1nsq h ASN 67 N 0.49 0.61 -0.13 0.57 2.35 -0.97 -2.36 115.58 116.14 1nsq h ASN 67 Ca 0.09 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 1nsq h ASN 67 Cb 0.51 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1nsq h ASN 67 CO 0.03 1.18 -0.04 0.22 -1.65 0.00 0.00 177.43 177.17 1nsq h TYR 68 N 0.34 0.29 0.00 1.19 3.20 -1.07 -2.70 116.97 118.22 1nsq h TYR 68 Ca -0.05 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1nsq h TYR 68 Cb 1.38 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.58 1nsq h TYR 68 CO 0.06 0.56 0.00 0.52 -1.64 0.00 0.00 178.16 177.66 1nsq h MET 69 N -0.06 0.00 -0.41 1.82 2.86 -1.20 -0.74 114.93 117.20 1nsq h MET 69 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1nsq h MET 69 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1nsq h MET 69 CO 0.01 0.00 0.00 -1.71 1.06 0.00 0.00 176.91 176.27 1nsq n ASN 70 N -2.38 4.00 -0.73 1.22 2.85 -0.89 -4.42 115.26 114.91 1nsq n ASN 70 Ca 0.00 -2.58 0.13 0.00 -0.11 0.00 0.00 54.58 52.01 1nsq n ASN 70 Cb 0.16 -0.48 0.33 0.00 1.24 0.00 0.00 39.78 41.03 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 0.28 2.24 -3.61 1.20 3.41 -0.29 -4.97 113.62 111.89 1nsq n SER 71 Ca 0.20 -1.75 -0.01 0.00 -0.26 0.00 0.00 58.87 57.05 1nsq n SER 71 Cb 0.79 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 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 -1.86 -0.36 0.60 5.00 0.00 -1.26 -5.10 107.32 104.33 1nsq s GLY 72 Ca 0.34 1.08 -0.19 0.00 0.00 0.00 0.00 44.72 45.95 1nsq s GLY 72 CO 0.31 0.29 1.20 2.56 0.00 0.00 0.00 173.10 177.47 1nsq s PRO 73 N -2.40 2.96 0.25 2.90 0.04 -1.26 -4.58 135.00 132.91 1nsq s PRO 73 Ca 0.12 1.81 0.06 0.00 0.04 0.00 0.00 61.00 63.04 1nsq s PRO 73 Cb 0.03 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1nsq s PRO 73 CO -0.04 -1.21 -0.08 0.14 0.04 0.00 0.00 177.00 175.85 1nsq s VAL 74 N -1.62 1.59 -0.53 -0.36 -7.23 0.12 -3.99 120.40 108.38 1nsq s VAL 74 Ca 0.77 -2.14 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1nsq s VAL 74 Cb -0.30 -2.31 0.14 0.00 0.56 0.00 0.00 36.38 34.47 1nsq s VAL 74 CO 0.33 -0.40 0.30 -0.69 -0.31 0.00 0.00 175.10 174.34 1nsq s VAL 75 N -3.06 2.23 0.38 1.32 1.01 -0.33 -1.47 120.40 120.49 1nsq s VAL 75 Ca 0.27 -3.28 -0.25 0.00 0.00 0.00 0.00 61.98 58.73 1nsq s VAL 75 Cb 0.03 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 1nsq s VAL 75 CO 0.10 -0.88 1.06 -2.16 0.00 0.00 0.00 175.10 173.22 1nsq s PRO 76 N -0.33 4.22 0.11 2.72 0.05 -1.13 -0.57 135.00 140.07 1nsq s PRO 76 Ca 0.19 1.57 -0.12 0.00 0.05 0.00 0.00 61.00 62.70 1nsq s PRO 76 Cb -0.20 -2.64 0.01 0.00 0.05 0.00 0.00 34.50 31.73 1nsq s PRO 76 CO -0.04 -0.11 0.29 -1.64 0.05 0.00 0.00 177.00 175.55 1nsq s MET 77 N -2.34 0.97 -0.06 4.56 -1.94 0.17 -2.47 119.30 118.20 1nsq s MET 77 Ca 0.56 -0.88 0.01 0.00 -1.71 0.00 0.00 55.69 53.68 1nsq s MET 77 Cb -0.24 0.40 0.02 0.00 2.01 0.00 0.00 34.83 37.02 1nsq s MET 77 CO 0.30 -0.35 -0.07 0.08 -0.01 0.00 0.00 175.02 174.97 1nsq s VAL 78 N -3.85 0.80 0.07 -6.03 1.01 -0.65 -1.13 120.40 110.62 1nsq s VAL 78 Ca 0.05 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.87 1nsq s VAL 78 Cb 0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1nsq s VAL 78 CO -0.10 0.29 -0.24 0.26 0.00 0.00 0.00 175.10 175.31 1nsq s TRP 79 N 0.96 2.40 -0.03 5.22 0.52 -0.94 -0.37 118.94 126.69 1nsq s TRP 79 Ca -0.10 -0.35 0.07 0.00 0.02 0.00 0.00 56.10 55.73 1nsq s TRP 79 Cb -0.15 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.78 1nsq s TRP 79 CO 0.00 0.22 -0.23 -2.00 0.02 0.00 0.00 176.95 174.96 1nsq s GLU 80 N -1.52 2.03 0.00 4.98 2.12 0.19 -1.87 118.70 124.63 1nsq s GLU 80 Ca 0.13 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.64 1nsq s GLU 80 Cb -0.10 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.42 1nsq s GLU 80 CO 0.04 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1nsq n GLY 81 N 2.69 1.21 3.67 -1.50 0.00 0.29 -1.26 105.19 110.29 1nsq n GLY 81 Ca -0.16 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1nsq n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nsq s LEU 82 N 0.00 4.41 -1.34 0.99 2.96 -1.23 -2.45 118.68 122.02 1nsq s LEU 82 Ca 0.00 2.65 -0.01 0.00 -0.22 0.00 0.00 54.13 56.55 1nsq s LEU 82 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1nsq s LEU 82 CO 0.00 -1.02 0.06 -3.20 -1.32 0.00 0.00 176.35 170.87 1nsq n ASN 83 N 6.91 -4.70 -0.04 3.68 4.05 -1.26 -4.87 115.26 119.03 1nsq n ASN 83 Ca 0.19 0.06 0.05 0.00 0.45 0.00 0.00 54.58 55.33 1nsq n ASN 83 Cb 0.40 -3.94 0.42 0.00 1.23 0.00 0.00 39.78 37.89 1nsq n ASN 83 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 177.26 175.83 1nsq h VAL 84 N -0.13 1.07 0.30 3.44 3.04 -1.77 -0.94 116.25 121.26 1nsq h VAL 84 Ca -0.38 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 1nsq h VAL 84 Cb 1.28 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1nsq h VAL 84 CO 0.45 0.10 -0.14 0.58 -1.01 0.00 0.00 177.57 177.55 1nsq h VAL 85 N 0.57 0.72 -0.03 1.51 2.07 -1.87 0.34 116.25 119.57 1nsq h VAL 85 Ca 0.19 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1nsq h VAL 85 Cb 0.04 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1nsq h VAL 85 CO -0.05 0.03 -0.02 0.50 0.02 0.00 0.00 177.57 178.05 1nsq h LYS 86 N -0.47 0.06 -0.49 1.57 3.64 -1.84 -2.43 116.57 116.62 1nsq h LYS 86 Ca -0.04 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1nsq h LYS 86 Cb 0.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1nsq h LYS 86 CO 0.07 0.52 0.08 1.15 -2.27 0.00 0.00 179.45 178.99 1nsq h THR 87 N -0.39 1.22 -0.69 1.00 2.02 -1.21 -2.18 112.91 112.69 1nsq h THR 87 Ca 0.00 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1nsq h THR 87 Cb 0.50 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1nsq h THR 87 CO 0.01 0.31 0.31 1.23 0.37 0.00 0.00 175.52 177.75 1nsq h GLY 88 N 0.94 1.05 1.96 2.16 0.00 -0.28 -1.43 103.07 107.47 1nsq h GLY 88 Ca 0.16 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1nsq h GLY 88 CO 0.01 0.49 -0.54 3.21 0.00 0.00 0.00 176.54 179.70 1nsq h ARG 89 N 0.97 0.05 -0.42 4.80 3.08 -0.90 -1.67 114.38 120.29 1nsq h ARG 89 Ca 0.24 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 1nsq h ARG 89 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1nsq h ARG 89 CO -0.03 0.58 -0.23 0.37 -1.07 0.00 0.00 179.97 179.59 1nsq h GLN 90 N 0.04 0.86 -0.39 0.04 4.15 -0.90 -2.01 115.11 116.90 1nsq h GLN 90 Ca -0.00 -0.36 -0.12 0.00 0.77 0.00 0.00 58.65 58.94 1nsq h GLN 90 Cb 0.97 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1nsq h GLN 90 CO 0.07 1.00 -0.22 0.52 -1.93 0.00 0.00 178.83 178.27 1nsq h MET 91 N 0.74 0.78 -0.06 1.69 2.86 -1.03 -2.84 114.93 117.08 1nsq h MET 91 Ca 0.10 -0.31 -0.13 0.00 -2.06 0.00 0.00 59.70 57.29 1nsq h MET 91 Cb 0.78 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1nsq h MET 91 CO 0.06 0.93 -0.55 -0.07 1.06 0.00 0.00 176.91 178.34 1nsq h LEU 92 N 0.68 0.19 0.00 1.22 3.38 -1.08 -1.10 115.31 118.60 1nsq h LEU 92 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nsq h LEU 92 Cb 0.73 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1nsq h LEU 92 CO 0.06 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1nsq n GLY 93 N 0.11 0.16 3.76 0.83 0.00 -0.78 -1.06 105.19 108.21 1nsq n GLY 93 Ca -0.02 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.44 3.07 0.23 4.61 0.00 -1.26 -4.84 121.76 122.13 1nsq s ALA 94 Ca 0.00 1.40 -0.06 0.00 0.00 0.00 0.00 51.96 53.30 1nsq s ALA 94 Cb 0.00 -3.58 0.37 0.00 0.00 0.00 0.00 23.12 19.92 1nsq s ALA 94 CO 0.00 -1.25 1.76 1.15 0.00 0.00 0.00 175.76 177.42 1nsq h THR 95 N 1.96 0.79 -3.66 0.00 2.02 -1.95 -3.33 112.91 108.74 1nsq h THR 95 Ca -0.51 -0.19 -0.60 0.00 0.77 0.00 0.00 66.41 65.89 1nsq h THR 95 Cb 1.28 0.19 -0.10 0.00 -1.74 0.00 0.00 68.15 67.77 1nsq h THR 95 CO 0.60 0.10 0.61 0.21 0.37 0.00 0.00 175.52 177.41 1nsq s ASN 96 N -5.45 6.51 0.50 4.18 2.47 -1.26 -4.78 114.94 117.11 1nsq s ASN 96 Ca -0.13 0.15 0.30 0.00 0.42 0.00 0.00 52.86 53.60 1nsq s ASN 96 Cb 0.19 -2.46 1.39 0.00 -1.45 0.00 0.00 41.25 38.92 1nsq s ASN 96 CO 0.76 -1.06 1.82 -0.65 -3.72 0.00 0.00 177.10 174.24 1nsq h PRO 97 N 9.08 0.12 0.00 0.43 0.11 -1.77 0.15 132.00 140.13 1nsq h PRO 97 Ca -0.24 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1nsq h PRO 97 Cb 1.07 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nsq h PRO 97 CO 1.03 0.08 -0.05 0.00 -0.21 0.00 0.00 178.00 178.86 1nsq h ALA 98 N 1.51 1.43 -0.02 -0.75 0.00 -1.90 -0.82 119.26 118.70 1nsq h ALA 98 Ca 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1nsq h ALA 98 Cb 1.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1nsq h ALA 98 CO -0.10 0.06 -0.29 -0.25 0.00 0.00 0.00 179.25 178.66 1nsq n ASP 99 N -3.76 2.16 -4.75 0.00 8.00 0.03 -4.95 116.55 113.28 1nsq n ASP 99 Ca -0.03 -1.58 -0.40 0.00 0.71 0.00 0.00 54.79 53.49 1nsq n ASP 99 Cb 0.14 0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.32 7.37 0.27 -2.24 0.01 -0.32 -4.56 113.70 111.92 1nsq s SER 100 Ca 0.23 2.17 -0.13 0.00 1.31 0.00 0.00 55.95 59.53 1nsq s SER 100 Cb 0.19 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 1nsq s SER 100 CO 0.48 -0.07 0.65 -0.76 0.41 0.00 0.00 173.24 173.95 1nsq s LEU 101 N -1.30 4.13 0.35 2.44 1.43 -1.26 -4.59 118.68 119.89 1nsq s LEU 101 Ca 0.44 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 54.38 1nsq s LEU 101 Cb -0.30 -3.85 -0.11 0.00 0.03 0.00 0.00 46.19 41.96 1nsq s LEU 101 CO 0.38 -0.12 1.50 -2.84 0.23 0.00 0.00 176.35 175.50 1nsq s PRO 102 N -2.82 4.13 0.00 1.29 0.02 -1.26 -2.24 135.00 134.12 1nsq s PRO 102 Ca 0.50 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.06 1nsq s PRO 102 Cb -0.11 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1nsq s PRO 102 CO 0.19 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1nsq n GLY 103 N 0.93 1.37 3.93 0.52 0.00 -1.26 -4.98 105.19 105.69 1nsq n GLY 103 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.71 3.27 0.07 2.61 -4.23 -0.95 -4.93 115.64 109.76 1nsq s THR 104 Ca 0.00 -0.19 -0.24 0.00 -1.18 0.00 0.00 61.69 60.08 1nsq s THR 104 Cb 0.00 -3.30 -0.16 0.00 1.34 0.00 0.00 72.50 70.38 1nsq s THR 104 CO 0.00 -0.29 1.64 0.40 -0.54 0.00 0.00 174.62 175.83 1nsq h ILE 105 N -0.18 1.08 -0.35 2.99 2.04 -1.18 -1.32 117.51 120.58 1nsq h ILE 105 Ca -0.45 -0.24 -0.14 0.00 1.00 0.00 0.00 64.86 65.03 1nsq h ILE 105 Cb 1.27 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1nsq h ILE 105 CO 0.59 0.06 -0.33 0.03 0.00 0.00 0.00 178.15 178.51 1nsq h ARG 106 N -0.11 0.78 -0.34 2.37 3.08 -1.36 -1.33 114.38 117.47 1nsq h ARG 106 Ca -0.00 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 1nsq h ARG 106 Cb 0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1nsq h ARG 106 CO 0.00 1.00 0.02 0.78 -1.07 0.00 0.00 179.97 180.70 1nsq h GLY 107 N 0.93 0.56 1.26 0.04 0.00 -1.66 -2.53 103.07 101.67 1nsq h GLY 107 Ca 0.07 -0.32 -0.28 0.00 0.00 0.00 0.00 47.33 46.80 1nsq h GLY 107 CO 0.08 0.30 -1.52 -0.55 0.00 0.00 0.00 176.54 174.85 1nsq h ASP 108 N 0.51 0.11 -0.00 0.19 3.32 -1.14 -3.43 116.42 115.97 1nsq h ASP 108 Ca 0.11 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1nsq h ASP 108 Cb 0.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1nsq h ASP 108 CO 0.01 1.15 -0.28 0.49 -1.72 0.00 0.00 179.24 178.89 1nsq n PHE 109 N -3.23 0.00 -4.18 4.55 3.72 -0.51 -5.08 117.46 112.72 1nsq n PHE 109 Ca -0.14 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.11 1nsq n PHE 109 Cb 1.02 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.49 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 -0.47 0.08 -4.06 0.00 5.41 -1.26 -4.77 119.36 114.28 1nsq n ILE 111 Ca 0.03 0.03 -0.31 0.00 1.00 0.00 0.00 62.75 63.50 1nsq n ILE 111 Cb 0.63 -1.39 -0.07 0.00 -0.71 0.00 0.00 39.64 38.11 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 2.99 0.51 0.38 0.74 -1.26 -3.87 119.66 117.15 1nsq s GLN 112 Ca 0.00 -0.59 0.18 0.00 0.05 0.00 0.00 55.36 54.99 1nsq s GLN 112 Cb 0.00 -2.80 1.27 0.00 1.10 0.00 0.00 33.01 32.59 1nsq s GLN 112 CO 0.00 0.60 2.10 -0.24 -0.55 0.00 0.00 175.29 177.20 1nsq h VAL 113 N 2.79 0.94 -0.00 1.34 3.04 -1.95 -1.03 116.25 121.37 1nsq h VAL 113 Ca -0.47 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1nsq h VAL 113 Cb 1.17 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1nsq h VAL 113 CO 0.65 0.01 -0.11 0.61 -1.01 0.00 0.00 177.57 177.72 1nsq n GLY 114 N -1.56 -1.09 2.47 3.17 0.00 -1.26 -3.68 105.19 103.23 1nsq n GLY 114 Ca 0.01 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.12 1.62 -1.00 1.61 5.12 -0.41 -4.94 116.66 117.54 1nsq n ARG 115 Ca 0.13 -3.70 -0.15 0.00 -1.93 0.00 0.00 57.85 52.20 1nsq n ARG 115 Cb 0.28 -1.72 0.20 0.00 -1.16 0.00 0.00 32.46 30.06 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 0.03 3.96 0.00 0.55 6.94 -1.11 -4.40 115.26 121.23 1nsq n ASN 116 Ca 0.23 -3.26 0.00 0.00 -0.02 0.00 0.00 54.58 51.53 1nsq n ASN 116 Cb 0.66 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 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 -0.61 0.00 -2.53 1.53 -5.35 -1.26 -4.92 119.36 106.22 1nsq n ILE 117 Ca 0.46 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.94 1nsq n ILE 117 Cb 1.42 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 -0.20 0.00 0.00 7.28 3.06 -1.26 -0.99 119.36 127.25 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 3.67 4.50 0.00 -1.26 -4.89 105.19 109.19 1nsq n GLY 120 Ca 0.00 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 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 2.65 0.01 1.61 7.64 -0.79 -4.91 113.62 119.83 1nsq n SER 121 Ca 0.00 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.16 1nsq n SER 121 Cb 0.00 -1.42 0.35 0.00 -1.01 0.00 0.00 64.21 62.12 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 1.92 0.40 -3.60 6.43 5.75 -1.26 -4.82 116.55 121.37 1nsq n ASP 122 Ca 0.11 0.03 -0.11 0.00 -0.01 0.00 0.00 54.79 54.81 1nsq n ASP 122 Cb 0.32 -0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 1nsq n ASP 122 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nsq s ALA 123 N -3.02 -1.20 0.25 2.12 0.00 -1.26 -4.95 121.76 113.70 1nsq s ALA 123 Ca 0.11 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1nsq s ALA 123 Cb 0.17 0.82 0.32 0.00 0.00 0.00 0.00 23.12 24.43 1nsq s ALA 123 CO 0.65 -0.76 1.90 0.28 0.00 0.00 0.00 175.76 177.84 1nsq h VAL 124 N 2.16 1.17 -0.10 0.00 2.07 -1.92 -0.55 116.25 119.07 1nsq h VAL 124 Ca -0.32 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1nsq h VAL 124 Cb 1.28 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1nsq h VAL 124 CO 0.39 0.23 0.07 -0.33 0.02 0.00 0.00 177.57 177.95 1nsq h GLU 125 N 1.25 0.14 0.00 1.57 3.07 -1.97 -1.06 114.58 117.58 1nsq h GLU 125 Ca 0.39 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.17 1nsq h GLU 125 Cb -0.01 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1nsq h GLU 125 CO -0.12 0.11 -0.35 0.66 -1.40 0.00 0.00 179.01 177.91 1nsq h SER 126 N 0.12 0.00 -0.65 1.42 4.64 -1.89 -2.49 113.55 114.70 1nsq h SER 126 Ca 0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1nsq h SER 126 Cb 0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1nsq h SER 126 CO -0.01 0.35 0.09 0.00 -0.87 0.00 0.00 176.83 176.39 1nsq h ALA 127 N 1.65 0.90 -0.56 5.18 0.00 -0.79 0.11 119.26 125.75 1nsq h ALA 127 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nsq h ALA 127 Cb 1.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1nsq h ALA 127 CO 0.05 0.67 0.33 1.49 0.00 0.00 0.00 179.25 181.79 1nsq h GLU 128 N 1.03 0.77 -0.17 0.00 4.57 -0.95 -1.12 114.58 118.70 1nsq h GLU 128 Ca 0.20 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1nsq h GLU 128 Cb 0.47 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1nsq h GLU 128 CO 0.02 0.56 -0.05 0.87 -1.18 0.00 0.00 179.01 179.24 1nsq h LYS 129 N 0.76 0.33 -0.62 1.92 6.56 -0.98 -3.07 116.57 121.48 1nsq h LYS 129 Ca 0.20 -0.13 -0.06 0.00 -1.06 0.00 0.00 60.65 59.60 1nsq h LYS 129 Cb -0.00 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.61 1nsq h LYS 129 CO -0.04 0.61 0.16 0.93 -2.06 0.00 0.00 179.45 179.05 1nsq h GLU 130 N 0.04 0.98 -0.52 3.15 5.08 -0.66 -2.47 114.58 120.18 1nsq h GLU 130 Ca 0.04 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1nsq h GLU 130 Cb 0.49 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1nsq h GLU 130 CO 0.02 0.89 0.33 0.82 -1.00 0.00 0.00 179.01 180.07 1nsq h ILE 131 N 0.90 1.14 0.00 3.13 2.04 -1.26 -1.16 117.51 122.30 1nsq h ILE 131 Ca 0.20 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1nsq h ILE 131 Cb 0.34 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1nsq h ILE 131 CO 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 178.15 178.08 1nsq h ALA 132 N 1.18 1.19 0.16 1.87 0.00 -1.44 0.74 119.26 122.96 1nsq h ALA 132 Ca 0.19 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 1nsq h ALA 132 Cb -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nsq h ALA 132 CO -0.04 0.26 -1.31 1.25 0.00 0.00 0.00 179.25 179.42 1nsq h LEU 133 N 0.00 0.60 0.00 0.00 5.85 -0.92 -3.38 115.31 117.47 1nsq h LEU 133 Ca -0.00 -0.63 -0.18 0.00 0.84 0.00 0.00 57.88 57.91 1nsq h LEU 133 Cb 0.55 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1nsq h LEU 133 CO 0.03 1.48 -1.58 0.79 -0.34 0.00 0.00 178.44 178.82 1nsq n TRP 134 N -3.62 0.78 -4.18 1.25 7.02 -0.50 -4.98 117.44 113.21 1nsq n TRP 134 Ca -0.11 0.26 -0.15 0.00 -1.02 0.00 0.00 57.50 56.47 1nsq n TRP 134 Cb 1.04 -1.02 -0.11 0.00 -2.42 0.00 0.00 31.31 28.79 1nsq n TRP 134 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1nsq s PHE 135 N -2.93 1.11 0.28 -5.99 0.08 0.23 -5.09 117.98 105.67 1nsq s PHE 135 Ca -0.04 -0.60 -0.08 0.00 0.12 0.00 0.00 56.93 56.32 1nsq s PHE 135 Cb 0.09 -0.61 -0.06 0.00 -0.57 0.00 0.00 43.02 41.87 1nsq s PHE 135 CO 0.82 0.03 0.60 -0.80 -0.10 0.00 0.00 175.22 175.76 1nsq s ASN 136 N -2.30 6.55 0.44 1.36 0.01 -1.26 -4.45 114.94 115.30 1nsq s ASN 136 Ca 0.04 0.90 0.23 0.00 -0.71 0.00 0.00 52.86 53.32 1nsq s ASN 136 Cb -0.05 -2.22 1.25 0.00 0.41 0.00 0.00 41.25 40.64 1nsq s ASN 136 CO 0.01 -0.18 1.66 -0.33 -1.51 0.00 0.00 177.10 176.76 1nsq h GLU 137 N 2.02 0.00 -0.05 -0.60 5.08 -1.95 0.18 114.58 119.26 1nsq h GLU 137 Ca -0.47 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.72 1nsq h GLU 137 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1nsq h GLU 137 CO 0.67 0.00 -0.70 0.87 -1.00 0.00 0.00 179.01 178.85 1nsq h LYS 138 N 0.00 0.26 0.00 2.33 1.57 -2.04 -3.20 116.57 115.50 1nsq h LYS 138 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1nsq h LYS 138 Cb 0.38 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1nsq h LYS 138 CO 0.00 0.86 0.00 0.39 -0.57 0.00 0.00 179.45 180.13 1nsq n GLU 139 N -3.81 0.13 -2.85 3.15 1.02 0.62 -4.71 120.64 114.18 1nsq n GLU 139 Ca -0.03 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1nsq n GLU 139 Cb 0.69 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 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 -3.82 4.05 -0.14 -4.62 1.43 -1.21 -4.53 118.68 109.83 1nsq s LEU 140 Ca 0.10 0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 53.76 1nsq s LEU 140 Cb 0.14 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1nsq s LEU 140 CO 0.50 -0.72 0.38 -0.69 0.23 0.00 0.00 176.35 176.06 1nsq s VAL 141 N 3.20 5.25 -0.18 -1.59 1.01 0.67 -5.02 120.40 123.73 1nsq s VAL 141 Ca 0.36 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.02 1nsq s VAL 141 Cb -0.13 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1nsq s VAL 141 CO 0.14 0.35 0.03 0.42 0.00 0.00 0.00 175.10 176.05 1nsq s THR 142 N 0.57 4.45 0.31 3.92 -4.23 -1.26 -4.71 115.64 114.68 1nsq s THR 142 Ca 0.21 -0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1nsq s THR 142 Cb -0.14 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.72 1nsq s THR 142 CO 0.07 0.45 0.61 -1.66 -0.54 0.00 0.00 174.62 173.55 1nsq s TRP 143 N 0.57 0.34 -0.12 3.99 1.48 -1.26 -5.16 118.94 118.78 1nsq s TRP 143 Ca 0.01 -0.78 -0.00 0.00 -1.06 0.00 0.00 56.10 54.27 1nsq s TRP 143 Cb -0.13 0.40 0.02 0.00 -1.16 0.00 0.00 33.47 32.60 1nsq s TRP 143 CO 0.02 -1.23 -0.09 0.99 -4.06 0.00 0.00 176.95 172.58 1nsq s THR 144 N -3.34 1.12 0.31 0.66 2.01 -1.26 -5.12 115.64 110.02 1nsq s THR 144 Ca 0.20 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.56 1nsq s THR 144 Cb -0.03 -1.11 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 1nsq s THR 144 CO 0.12 0.38 1.26 -2.84 -0.69 0.00 0.00 174.62 172.85 1nsq s PRO 145 N 1.62 4.42 0.43 4.92 0.02 -1.26 -4.92 135.00 140.23 1nsq s PRO 145 Ca 0.04 2.11 0.11 0.00 0.02 0.00 0.00 61.00 63.28 1nsq s PRO 145 Cb -0.13 -3.11 0.97 0.00 0.02 0.00 0.00 34.50 32.26 1nsq s PRO 145 CO -0.08 -0.10 2.03 0.00 -0.33 0.00 0.00 177.00 178.52 1nsq h ALA 146 N 3.62 1.88 -0.37 -1.55 0.00 -2.05 -2.27 119.26 118.52 1nsq h ALA 146 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nsq h ALA 146 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1nsq h ALA 146 CO 0.67 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1nsq n ALA 147 N -2.50 2.45 -0.31 0.00 0.00 -1.26 -4.58 120.51 114.31 1nsq n ALA 147 Ca 0.06 -0.71 0.15 0.00 0.00 0.00 0.00 53.44 52.94 1nsq n ALA 147 Cb 0.21 -0.99 0.32 0.00 0.00 0.00 0.00 19.45 19.00 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 2.54 0.18 0.00 0.00 3.64 -1.79 0.41 116.57 121.55 1nsq h LYS 148 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1nsq h LYS 148 Cb 0.58 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1nsq h LYS 148 CO 0.00 0.12 0.00 -0.44 -2.27 0.00 0.00 179.45 176.86 1nsq h ASP 149 N 0.18 0.00 0.17 4.20 3.32 -1.81 -1.53 116.42 120.95 1nsq h ASP 149 Ca 0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.64 1nsq h ASP 149 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1nsq h ASP 149 CO -0.69 0.00 -0.58 0.79 -1.72 0.00 0.00 179.24 177.04 1nsq n TRP 150 N -2.42 0.00 -0.13 4.55 7.02 0.12 -4.20 117.44 122.38 1nsq n TRP 150 Ca 0.02 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.32 1nsq n TRP 150 Cb 0.27 -0.09 -0.12 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 -0.94 1.49 -4.44 -0.99 5.41 -0.87 -4.99 119.36 114.04 1nsq n ILE 151 Ca 0.08 -0.58 -0.22 0.00 1.00 0.00 0.00 62.75 63.02 1nsq n ILE 151 Cb 0.37 -1.41 -0.13 0.00 -0.71 0.00 0.00 39.64 37.76 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 -2.52 1.51 -2.00 1.39 2.02 -0.63 -5.13 117.35 111.99 1nsq s TYR 152 Ca -0.34 -0.37 0.29 0.00 -0.37 0.00 0.00 57.07 56.27 1nsq s TYR 152 Cb 0.09 -0.89 1.73 0.00 -0.40 0.00 0.00 41.96 42.50 1nsq s TYR 152 CO 0.61 0.08 2.07 0.39 -1.57 0.00 0.00 175.55 177.13