#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nv3 n ALA 3 N 0.00 0.11 -0.33 4.61 0.00 -1.26 -5.02 120.51 118.62 2nv3 n ALA 3 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 53.44 53.06 2nv3 n ALA 3 Cb 0.00 0.21 0.20 0.00 0.00 0.00 0.00 19.45 19.86 2nv3 n ALA 3 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2nv3 h ARG 4 N 0.00 0.88 -7.07 0.00 0.11 -2.08 -3.42 114.38 102.80 2nv3 h ARG 4 Ca -0.07 -0.05 -0.54 0.00 0.10 0.00 0.00 59.98 59.42 2nv3 h ARG 4 Cb 0.24 -0.20 0.12 0.00 1.11 0.00 0.00 29.97 31.24 2nv3 h ARG 4 CO 0.12 0.58 0.52 0.00 0.10 0.00 0.00 179.97 181.30 2nv3 s ALA 5 N -6.00 2.68 1.11 0.08 0.00 -1.26 -4.99 121.76 113.38 2nv3 s ALA 5 Ca -0.12 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 2nv3 s ALA 5 Cb 0.21 -3.49 0.25 0.00 0.00 0.00 0.00 23.12 20.09 2nv3 s ALA 5 CO 0.80 -1.21 1.05 -1.54 0.00 0.00 0.00 175.76 174.86 2nv3 s SER 6 N -1.32 1.53 0.00 0.00 1.04 -1.26 -4.65 113.70 109.03 2nv3 s SER 6 Ca 0.74 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.52 2nv3 s SER 6 Cb -0.34 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2nv3 s SER 6 CO 0.39 -3.84 0.00 0.52 0.98 0.00 0.00 173.24 171.29 2nv3 n VAL 7 N -4.66 0.00 -0.34 5.02 0.31 -1.26 -4.64 118.33 112.76 2nv3 n VAL 7 Ca 0.04 0.36 0.01 0.00 -0.01 0.00 0.00 64.34 64.74 2nv3 n VAL 7 Cb 0.56 -1.32 0.18 0.00 -0.91 0.00 0.00 33.84 32.34 2nv3 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nv3 h ALA 8 N -2.00 1.40 -4.48 3.52 0.00 -2.05 -3.47 119.26 112.18 2nv3 h ALA 8 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2nv3 h ALA 8 Cb 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 17.79 17.58 2nv3 h ALA 8 CO 0.00 0.50 -0.53 0.45 0.00 0.00 0.00 179.25 179.67 2nv3 n SER 9 N -4.45 -4.00 -0.24 0.00 2.88 -1.26 -4.49 113.62 102.05 2nv3 n SER 9 Ca 0.13 -0.43 0.31 0.00 -1.33 0.00 0.00 58.87 57.55 2nv3 n SER 9 Cb 0.12 -3.47 0.55 0.00 -0.75 0.00 0.00 64.21 60.65 2nv3 n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2nv3 h GLY 10 N -0.85 0.00 0.00 0.46 0.00 -1.98 0.50 103.07 101.19 2nv3 h GLY 10 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2nv3 h GLY 10 CO 0.29 0.00 -0.13 -1.33 0.00 0.00 0.00 176.54 175.37 2nv3 h GLY 11 N 0.00 0.00 1.29 4.60 0.00 -2.02 -3.37 103.07 103.58 2nv3 h GLY 11 Ca 0.51 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.94 2nv3 h GLY 11 CO -0.01 0.00 0.26 0.83 0.00 0.00 0.00 176.54 177.62 2nv3 h GLU 12 N -0.48 0.00 -0.60 4.80 5.08 -1.70 -0.46 114.58 121.22 2nv3 h GLU 12 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2nv3 h GLU 12 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2nv3 h GLU 12 CO 0.00 0.00 0.41 1.25 -1.00 0.00 0.00 179.01 179.67 2nv3 h LEU 13 N 0.00 0.20 -0.73 1.33 5.85 -0.20 -1.04 115.31 120.73 2nv3 h LEU 13 Ca 0.17 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2nv3 h LEU 13 Cb 0.68 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 2nv3 h LEU 13 CO -0.00 0.11 0.37 -0.78 -0.34 0.00 0.00 178.44 177.81 2nv3 h ASP 14 N 0.22 0.50 -0.23 1.25 1.82 -1.23 -1.70 116.42 117.05 2nv3 h ASP 14 Ca 0.29 0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.89 2nv3 h ASP 14 Cb 0.83 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.80 2nv3 h ASP 14 CO -0.06 0.29 -0.23 0.11 -1.61 0.00 0.00 179.24 177.74 2nv3 h LYS 15 N 0.64 0.57 -0.36 0.28 6.56 -1.36 -2.71 116.57 120.19 2nv3 h LYS 15 Ca 0.36 -0.30 0.08 0.00 -1.06 0.00 0.00 60.65 59.72 2nv3 h LYS 15 Cb 0.36 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 31.95 2nv3 h LYS 15 CO -0.26 0.89 -0.18 2.35 -2.06 0.00 0.00 179.45 180.19 2nv3 h TRP 16 N 0.26 -0.46 0.00 -1.35 2.91 -1.15 0.49 115.95 116.66 2nv3 h TRP 16 Ca 0.04 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2nv3 h TRP 16 Cb 0.79 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 2nv3 h TRP 16 CO 0.08 -0.26 0.00 0.39 -1.03 0.00 0.00 178.44 177.62 2nv3 n GLU 17 N -5.36 0.52 0.02 2.65 1.02 -0.70 -2.61 120.64 116.18 2nv3 n GLU 17 Ca 0.01 0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.16 2nv3 n GLU 17 Cb 0.27 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 2nv3 n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2nv3 h LYS 18 N 0.00 0.00 -6.77 3.49 3.64 0.29 -3.41 116.57 113.81 2nv3 h LYS 18 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2nv3 h LYS 18 Cb 0.10 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2nv3 h LYS 18 CO 0.00 0.41 0.48 0.42 -2.27 0.00 0.00 179.45 178.49 2nv3 s ILE 19 N -2.78 3.57 0.21 2.00 1.01 -0.75 -4.97 121.20 119.50 2nv3 s ILE 19 Ca -0.03 1.52 -0.14 0.00 0.00 0.00 0.00 60.65 61.99 2nv3 s ILE 19 Cb 0.08 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 2nv3 s ILE 19 CO 0.81 0.33 0.61 -0.13 0.00 0.00 0.00 174.94 176.57 2nv3 s ARG 20 N -1.14 3.99 0.29 2.79 0.52 -1.26 -1.89 118.95 122.25 2nv3 s ARG 20 Ca 0.46 0.54 0.15 0.00 -0.52 0.00 0.00 55.73 56.36 2nv3 s ARG 20 Cb -0.31 -2.76 0.21 0.00 0.52 0.00 0.00 34.95 32.60 2nv3 s ARG 20 CO 0.39 0.37 1.51 -0.07 0.02 0.00 0.00 175.30 177.52 2nv3 h LEU 21 N 3.05 0.00 -9.04 2.53 3.38 -0.72 -0.29 115.31 114.22 2nv3 h LEU 21 Ca -0.48 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.97 2nv3 h LEU 21 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2nv3 h LEU 21 CO 0.66 0.53 -0.74 -0.13 0.09 0.00 0.00 178.44 178.86 2nv3 s ARG 22 N -3.12 1.49 0.09 1.13 0.52 -1.26 -4.09 118.95 113.72 2nv3 s ARG 22 Ca 0.02 -1.68 -0.16 0.00 -0.52 0.00 0.00 55.73 53.40 2nv3 s ARG 22 Cb 0.09 -1.39 -0.09 0.00 0.52 0.00 0.00 34.95 34.07 2nv3 s ARG 22 CO 0.74 0.23 1.41 -1.00 0.02 0.00 0.00 175.30 176.70 2nv3 h PRO 23 N 2.42 0.65 -0.01 3.54 0.13 -1.92 -3.32 132.00 133.49 2nv3 h PRO 23 Ca -0.39 -0.34 -0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2nv3 h PRO 23 Cb 1.24 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2nv3 h PRO 23 CO 0.62 0.95 -0.19 0.41 -0.23 0.00 0.00 178.00 179.56 2nv3 n GLY 24 N 0.16 4.98 0.10 1.56 0.00 -1.26 -4.96 105.19 105.77 2nv3 n GLY 24 Ca -0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 2nv3 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nv3 n GLY 25 N -1.31 2.05 0.00 -0.02 0.00 -1.25 -5.05 105.19 99.61 2nv3 n GLY 25 Ca 0.17 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2nv3 n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2nv3 n LYS 26 N -0.98 4.92 -2.51 1.61 4.81 -1.26 -4.88 118.16 119.87 2nv3 n LYS 26 Ca 0.00 -0.11 -0.36 0.00 -0.87 0.00 0.00 58.31 56.98 2nv3 n LYS 26 Cb 0.02 -0.58 -0.03 0.00 0.02 0.00 0.00 35.03 34.45 2nv3 n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2nv3 s LYS 27 N -0.73 3.99 0.43 1.64 3.01 -1.26 -4.95 119.74 121.87 2nv3 s LYS 27 Ca 0.00 1.49 0.04 0.00 -1.01 0.00 0.00 55.97 56.49 2nv3 s LYS 27 Cb 0.00 -2.38 -0.02 0.00 -1.01 0.00 0.00 37.83 34.43 2nv3 s LYS 27 CO 0.00 -0.29 0.12 -0.65 0.51 0.00 0.00 175.35 175.04 2nv3 s GLN 28 N -2.76 2.00 0.21 1.68 1.11 -1.26 -0.06 119.66 120.57 2nv3 s GLN 28 Ca 0.62 -2.23 -0.27 0.00 0.01 0.00 0.00 55.36 53.49 2nv3 s GLN 28 Cb -0.21 -0.70 -0.09 0.00 -1.01 0.00 0.00 33.01 31.00 2nv3 s GLN 28 CO 0.26 -0.49 0.84 0.71 0.01 0.00 0.00 175.29 176.62 2nv3 s TYR 29 N -3.15 3.90 0.17 0.91 2.02 -0.79 -4.59 117.35 115.81 2nv3 s TYR 29 Ca 0.20 1.72 0.06 0.00 -0.37 0.00 0.00 57.07 58.68 2nv3 s TYR 29 Cb 0.02 -2.84 -0.05 0.00 -0.40 0.00 0.00 41.96 38.69 2nv3 s TYR 29 CO 0.13 0.46 -0.11 0.15 -1.57 0.00 0.00 175.55 174.61 2nv3 s LYS 30 N -1.30 1.16 0.33 -0.62 1.02 -1.26 -3.96 119.74 115.11 2nv3 s LYS 30 Ca 0.39 -1.51 0.13 0.00 0.02 0.00 0.00 55.97 55.00 2nv3 s LYS 30 Cb -0.23 -0.79 1.05 0.00 -0.52 0.00 0.00 37.83 37.34 2nv3 s LYS 30 CO 0.28 0.10 1.64 -0.07 -0.92 0.00 0.00 175.35 176.38 2nv3 h LEU 31 N 2.69 0.34 -0.96 3.17 -0.00 -1.98 0.21 115.31 118.79 2nv3 h LEU 31 Ca -0.37 0.21 0.39 0.00 -0.00 0.00 0.00 57.88 58.11 2nv3 h LEU 31 Cb 1.20 0.20 -0.16 0.00 -0.00 0.00 0.00 40.66 41.90 2nv3 h LEU 31 CO 0.63 -0.20 0.53 0.29 -0.00 0.00 0.00 178.44 179.69 2nv3 n LYS 32 N -5.14 -0.05 -0.03 1.13 4.01 -1.26 0.37 118.16 117.19 2nv3 n LYS 32 Ca 0.31 1.26 -0.16 0.00 -0.51 0.00 0.00 58.31 59.21 2nv3 n LYS 32 Cb 0.97 -2.28 -0.12 0.00 -0.51 0.00 0.00 35.03 33.09 2nv3 n LYS 32 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2nv3 h HIS 33 N 0.00 0.21 -0.63 2.13 3.86 -0.98 -0.25 115.15 119.49 2nv3 h HIS 33 Ca 0.78 -0.13 0.18 0.00 -1.16 0.00 0.00 60.37 60.04 2nv3 h HIS 33 Cb 2.13 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 30.56 2nv3 h HIS 33 CO -0.01 1.01 0.47 0.82 0.86 0.00 0.00 177.93 181.08 2nv3 h ILE 34 N -0.64 0.63 0.13 2.45 2.04 -0.11 0.05 117.51 122.06 2nv3 h ILE 34 Ca -0.04 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.46 2nv3 h ILE 34 Cb 1.10 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2nv3 h ILE 34 CO 0.05 0.00 -1.98 0.58 0.00 0.00 0.00 178.15 176.80 2nv3 h VAL 35 N 0.00 0.65 0.00 1.67 2.07 -1.15 -2.99 116.25 116.49 2nv3 h VAL 35 Ca 0.30 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 2nv3 h VAL 35 Cb 1.25 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.54 2nv3 h VAL 35 CO -0.00 0.90 -0.04 -0.25 0.02 0.00 0.00 177.57 178.20 2nv3 h TRP 36 N 0.07 0.00 0.00 1.57 7.01 0.08 -2.13 115.95 122.56 2nv3 h TRP 36 Ca -0.42 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.43 2nv3 h TRP 36 Cb 2.04 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 29.08 2nv3 h TRP 36 CO 0.08 0.04 -0.90 0.00 -2.79 0.00 0.00 178.44 174.87 2nv3 h ALA 37 N 1.96 0.17 -0.88 2.65 0.00 -1.17 -3.14 119.26 118.84 2nv3 h ALA 37 Ca -0.00 -0.94 0.21 0.00 0.00 0.00 0.00 54.91 54.18 2nv3 h ALA 37 Cb 0.11 0.57 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 2nv3 h ALA 37 CO 0.01 0.54 0.39 0.66 0.00 0.00 0.00 179.25 180.85 2nv3 h SER 38 N -1.00 0.34 0.18 0.00 4.64 -1.41 -1.18 113.55 115.12 2nv3 h SER 38 Ca -0.22 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2nv3 h SER 38 Cb 1.06 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2nv3 h SER 38 CO -0.14 0.03 -0.09 -0.09 -0.87 0.00 0.00 176.83 175.68 2nv3 h ARG 39 N 0.43 -0.23 -0.76 4.77 9.65 -1.56 -3.20 114.38 123.48 2nv3 h ARG 39 Ca 0.54 0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.59 2nv3 h ARG 39 Cb 0.98 0.05 -0.14 0.00 -1.39 0.00 0.00 29.97 29.48 2nv3 h ARG 39 CO -0.50 0.15 -0.13 1.49 2.80 0.00 0.00 179.97 183.77 2nv3 h GLU 40 N -0.67 0.02 -0.81 0.20 4.81 -1.25 0.27 114.58 117.15 2nv3 h GLU 40 Ca -0.02 -0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.36 2nv3 h GLU 40 Cb 0.48 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.76 2nv3 h GLU 40 CO 0.04 0.02 0.35 -0.07 -0.73 0.00 0.00 179.01 178.62 2nv3 h LEU 41 N 0.02 0.35 -2.04 1.64 3.38 -1.28 0.39 115.31 117.77 2nv3 h LEU 41 Ca 0.38 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.57 2nv3 h LEU 41 Cb 0.62 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2nv3 h LEU 41 CO -0.75 0.11 0.29 -0.08 0.09 0.00 0.00 178.44 178.10 2nv3 h GLU 42 N 0.48 0.00 0.00 1.13 4.81 -0.16 0.15 114.58 120.99 2nv3 h GLU 42 Ca 0.46 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.48 2nv3 h GLU 42 Cb 0.72 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 2nv3 h GLU 42 CO -0.42 0.00 -1.44 -0.09 -0.73 0.00 0.00 179.01 176.33 2nv3 h ARG 43 N 0.00 0.00 -0.96 1.92 9.65 -0.16 -3.33 114.38 121.50 2nv3 h ARG 43 Ca 0.17 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.97 2nv3 h ARG 43 Cb 0.75 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.28 2nv3 h ARG 43 CO -0.00 0.41 0.11 1.19 2.80 0.00 0.00 179.97 184.47 2nv3 n PHE 44 N -2.99 0.68 -1.81 2.20 3.01 0.00 -4.80 117.46 113.76 2nv3 n PHE 44 Ca -0.11 -0.60 -0.18 0.00 1.01 0.00 0.00 57.45 57.57 2nv3 n PHE 44 Cb 0.91 -0.35 -0.06 0.00 -0.01 0.00 0.00 39.48 39.98 2nv3 n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nv3 n ALA 45 N 0.11 -0.40 -4.09 4.37 0.00 -1.12 -4.94 120.51 114.44 2nv3 n ALA 45 Ca 0.12 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 2nv3 n ALA 45 Cb 0.68 -1.88 -0.16 0.00 0.00 0.00 0.00 19.45 18.10 2nv3 n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2nv3 s VAL 46 N -2.66 2.01 0.36 0.00 1.01 0.30 -5.03 120.40 116.39 2nv3 s VAL 46 Ca 0.00 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 2nv3 s VAL 46 Cb 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 36.38 34.36 2nv3 s VAL 46 CO 0.00 0.38 1.52 0.20 0.00 0.00 0.00 175.10 177.20 2nv3 s ASN 47 N 1.27 6.32 0.00 3.32 0.01 -1.26 -2.52 114.94 122.08 2nv3 s ASN 47 Ca 0.01 3.06 0.15 0.00 -0.71 0.00 0.00 52.86 55.37 2nv3 s ASN 47 Cb -0.15 -2.66 0.78 0.00 0.41 0.00 0.00 41.25 39.63 2nv3 s ASN 47 CO -0.11 -0.91 1.40 -0.81 -1.51 0.00 0.00 177.10 175.16 2nv3 n PRO 48 N 0.78 0.26 0.00 -0.60 -0.04 -1.26 -2.88 135.00 131.25 2nv3 n PRO 48 Ca 0.02 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2nv3 n PRO 48 Cb 0.39 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.86 2nv3 n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nv3 n GLY 49 N -0.03 -0.73 0.03 0.55 0.00 -1.26 -2.74 105.19 101.01 2nv3 n GLY 49 Ca 0.08 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2nv3 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nv3 n LEU 50 N -0.87 0.20 -0.11 0.99 4.77 -1.14 -3.18 117.00 117.66 2nv3 n LEU 50 Ca 0.13 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 2nv3 n LEU 50 Cb 0.06 -0.35 0.42 0.00 -2.33 0.00 0.00 43.42 41.22 2nv3 n LEU 50 CO 0.10 0.04 0.67 0.18 -1.33 0.00 0.00 177.39 177.05 2nv3 n LEU 51 N -1.34 0.61 -2.66 2.23 4.77 -1.11 -3.50 117.00 116.00 2nv3 n LEU 51 Ca 0.10 -0.03 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 2nv3 n LEU 51 Cb 0.31 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2nv3 n LEU 51 CO 0.27 0.12 1.25 -1.84 -1.33 0.00 0.00 177.39 175.87 2nv3 n GLU 52 N -1.09 2.89 -3.15 3.23 0.28 -1.19 -4.84 120.64 116.76 2nv3 n GLU 52 Ca 0.10 -3.65 0.06 0.00 -0.16 0.00 0.00 57.16 53.51 2nv3 n GLU 52 Cb 0.33 -2.27 -0.02 0.00 1.43 0.00 0.00 31.44 30.90 2nv3 n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2nv3 s THR 53 N -5.06 -0.04 0.32 3.84 -1.32 -1.26 -4.99 115.64 107.14 2nv3 s THR 53 Ca 0.54 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.13 2nv3 s THR 53 Cb 0.45 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.76 2nv3 s THR 53 CO -0.26 0.00 1.67 0.28 -2.21 0.00 0.00 174.62 174.10 2nv3 h SER 54 N 7.92 0.43 -0.02 8.08 0.02 -1.88 0.72 113.55 128.82 2nv3 h SER 54 Ca -0.10 0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2nv3 h SER 54 Cb 1.17 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2nv3 h SER 54 CO -0.22 -0.09 -0.35 -0.33 -1.14 0.00 0.00 176.83 174.70 2nv3 h GLU 55 N 0.35 0.50 -0.66 3.45 3.07 -1.95 -3.12 114.58 116.22 2nv3 h GLU 55 Ca 0.67 -0.23 0.07 0.00 -0.50 0.00 0.00 59.36 59.38 2nv3 h GLU 55 Cb 1.45 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.29 2nv3 h GLU 55 CO -0.59 0.78 0.35 0.78 -1.40 0.00 0.00 179.01 178.93 2nv3 h GLY 56 N 1.07 0.97 0.17 -3.84 0.00 0.24 -2.49 103.07 99.19 2nv3 h GLY 56 Ca 0.05 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.23 2nv3 h GLY 56 CO 0.07 0.11 -0.13 0.00 0.00 0.00 0.00 176.54 176.59 2nv3 h ARG 58 N -0.05 0.41 -0.43 0.00 1.12 -1.54 0.27 114.38 114.16 2nv3 h ARG 58 Ca 0.19 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.89 2nv3 h ARG 58 Cb 0.33 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 2nv3 h ARG 58 CO -0.42 0.27 -0.29 1.96 -3.11 0.00 0.00 179.97 178.38 2nv3 h GLN 59 N 0.42 0.95 0.01 0.20 4.20 -1.10 -2.32 115.11 117.48 2nv3 h GLN 59 Ca 0.62 -0.45 0.02 0.00 0.06 0.00 0.00 58.65 58.90 2nv3 h GLN 59 Cb 1.24 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 2nv3 h GLN 59 CO -0.54 1.12 -0.13 0.82 -0.67 0.00 0.00 178.83 179.43 2nv3 h ILE 60 N 0.79 0.68 -0.57 2.54 2.04 0.28 -1.07 117.51 122.21 2nv3 h ILE 60 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2nv3 h ILE 60 Cb 0.87 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2nv3 h ILE 60 CO 0.08 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.49 2nv3 h LEU 61 N -0.23 0.69 -1.52 1.44 3.38 -1.30 -2.38 115.31 115.40 2nv3 h LEU 61 Ca 0.04 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2nv3 h LEU 61 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2nv3 h LEU 61 CO -0.12 0.56 0.38 1.23 0.09 0.00 0.00 178.44 180.58 2nv3 h GLY 62 N 0.76 0.72 0.90 0.83 0.00 -1.06 0.58 103.07 105.80 2nv3 h GLY 62 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 2nv3 h GLY 62 CO -0.04 0.20 -0.15 1.46 0.00 0.00 0.00 176.54 178.02 2nv3 h GLN 63 N 0.62 0.60 -0.00 4.80 1.08 -0.70 -2.92 115.11 118.57 2nv3 h GLN 63 Ca 0.23 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2nv3 h GLN 63 Cb 0.15 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2nv3 h GLN 63 CO -0.06 0.84 -0.14 1.28 -0.95 0.00 0.00 178.83 179.80 2nv3 n LEU 64 N -4.42 0.55 0.48 1.46 4.77 -0.90 -4.13 117.00 114.82 2nv3 n LEU 64 Ca -0.04 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.72 2nv3 n LEU 64 Cb 0.38 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2nv3 n LEU 64 CO 0.42 0.10 0.56 -0.61 -1.33 0.00 0.00 177.39 176.53 2nv3 h GLN 65 N 0.65 -1.20 0.00 3.23 4.15 0.36 0.18 115.11 122.49 2nv3 h GLN 65 Ca 0.00 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2nv3 h GLN 65 Cb 0.39 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2nv3 h GLN 65 CO 0.00 -0.80 0.00 -0.35 -1.93 0.00 0.00 178.83 175.75 2nv3 n PRO 66 N -5.63 0.33 -0.00 -2.39 -0.04 -1.25 -1.90 135.00 124.12 2nv3 n PRO 66 Ca -0.16 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2nv3 n PRO 66 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 2nv3 n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2nv3 n SER 67 N -1.16 0.63 0.17 3.54 7.64 -0.90 -4.50 113.62 119.03 2nv3 n SER 67 Ca 0.09 -0.75 0.17 0.00 1.01 0.00 0.00 58.87 59.39 2nv3 n SER 67 Cb 0.09 1.02 0.64 0.00 -1.01 0.00 0.00 64.21 64.95 2nv3 n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2nv3 h LEU 68 N 0.00 0.00 0.06 -3.43 3.38 0.07 1.01 115.31 116.39 2nv3 h LEU 68 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2nv3 h LEU 68 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2nv3 h LEU 68 CO 0.00 0.00 -2.14 1.67 0.09 0.00 0.00 178.44 178.06 2nv3 n GLN 69 N -3.20 0.68 0.04 1.13 0.00 -1.26 -4.59 117.38 110.18 2nv3 n GLN 69 Ca 0.05 0.26 -0.09 0.00 -0.00 0.00 0.00 57.00 57.23 2nv3 n GLN 69 Cb 0.71 -1.63 -0.06 0.00 0.00 0.00 0.00 30.24 29.26 2nv3 n GLN 69 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2nv3 h THR 70 N -0.18 0.65 -2.67 1.69 2.02 -1.15 -3.46 112.91 109.81 2nv3 h THR 70 Ca -0.50 -1.16 -0.48 0.00 0.77 0.00 0.00 66.41 65.04 2nv3 h THR 70 Cb 1.86 1.13 0.23 0.00 -1.74 0.00 0.00 68.15 69.64 2nv3 h THR 70 CO -0.06 0.19 -0.93 0.61 0.37 0.00 0.00 175.52 175.70 2nv3 n GLY 71 N 0.93 -2.36 0.00 2.16 0.00 0.33 -5.02 105.19 101.23 2nv3 n GLY 71 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2nv3 n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nv3 n SER 72 N -1.52 0.00 0.26 1.61 3.41 -1.26 -4.89 113.62 111.23 2nv3 n SER 72 Ca 0.03 -0.51 0.12 0.00 -0.26 0.00 0.00 58.87 58.25 2nv3 n SER 72 Cb 0.59 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.24 2nv3 n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2nv3 h GLU 73 N 0.00 0.00 -0.30 4.33 4.81 -1.96 -2.39 114.58 119.07 2nv3 h GLU 73 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2nv3 h GLU 73 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2nv3 h GLU 73 CO 0.00 0.13 0.02 0.93 -0.73 0.00 0.00 179.01 179.36 2nv3 h GLU 74 N 0.00 0.45 -0.02 1.92 5.08 -2.01 -2.15 114.58 117.86 2nv3 h GLU 74 Ca -0.00 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 2nv3 h GLU 74 Cb 0.38 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2nv3 h GLU 74 CO 0.02 0.47 -0.73 1.25 -1.00 0.00 0.00 179.01 179.01 2nv3 h LEU 75 N 0.44 0.17 -0.75 1.33 6.46 -1.77 -3.10 115.31 118.08 2nv3 h LEU 75 Ca 0.10 -0.12 -0.13 0.00 -0.12 0.00 0.00 57.88 57.61 2nv3 h LEU 75 Cb 0.26 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2nv3 h LEU 75 CO 0.01 0.84 -0.48 -0.09 -0.62 0.00 0.00 178.44 178.09 2nv3 h ARG 76 N 0.09 0.35 -0.35 1.25 2.43 -1.41 -2.87 114.38 113.87 2nv3 h ARG 76 Ca -0.02 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 2nv3 h ARG 76 Cb 1.30 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2nv3 h ARG 76 CO 0.11 0.76 0.01 0.66 -1.51 0.00 0.00 179.97 180.00 2nv3 h SER 77 N 0.28 0.60 0.30 -3.80 4.64 -1.36 -2.99 113.55 111.21 2nv3 h SER 77 Ca 0.01 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2nv3 h SER 77 Cb 0.95 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2nv3 h SER 77 CO 0.08 0.75 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.57 2nv3 h LEU 78 N 0.43 -0.36 -0.74 5.97 -0.00 -1.50 0.57 115.31 119.68 2nv3 h LEU 78 Ca 0.10 0.02 0.15 0.00 -0.00 0.00 0.00 57.88 58.15 2nv3 h LEU 78 Cb 0.43 0.10 -0.14 0.00 -0.00 0.00 0.00 40.66 41.05 2nv3 h LEU 78 CO 0.02 -0.25 -0.17 0.22 -0.00 0.00 0.00 178.44 178.26 2nv3 h TYR 79 N -0.41 -0.36 -0.26 1.13 5.03 -1.50 0.32 116.97 120.92 2nv3 h TYR 79 Ca -0.04 0.07 -0.13 0.00 2.58 0.00 0.00 58.73 61.20 2nv3 h TYR 79 Cb 0.32 0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 2nv3 h TYR 79 CO -0.06 -0.31 -0.39 -0.91 -1.32 0.00 0.00 178.16 175.16 2nv3 h ASN 80 N 0.01 0.64 0.93 -2.11 4.21 -1.36 -2.76 115.58 115.14 2nv3 h ASN 80 Ca 0.36 -0.28 -0.05 0.00 1.21 0.00 0.00 56.30 57.54 2nv3 h ASN 80 Cb 0.56 -0.18 0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2nv3 h ASN 80 CO -0.75 0.97 -0.45 0.74 -1.29 0.00 0.00 177.43 176.65 2nv3 h THR 81 N 0.50 0.00 -0.34 2.81 2.02 0.18 -2.92 112.91 115.17 2nv3 h THR 81 Ca 0.04 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.27 2nv3 h THR 81 Cb 0.90 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.24 2nv3 h THR 81 CO 0.08 0.00 -0.20 0.40 0.37 0.00 0.00 175.52 176.17 2nv3 h ILE 82 N -1.29 0.44 -0.23 3.11 5.03 -0.79 0.25 117.51 124.02 2nv3 h ILE 82 Ca -0.13 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.68 2nv3 h ILE 82 Cb 0.96 0.44 -0.01 0.00 -3.03 0.00 0.00 36.82 35.18 2nv3 h ILE 82 CO 0.21 0.00 0.61 0.00 -0.68 0.00 0.00 178.15 178.29 2nv3 h ALA 83 N 1.05 1.88 0.00 1.87 0.00 -1.47 1.15 119.26 123.74 2nv3 h ALA 83 Ca 0.17 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2nv3 h ALA 83 Cb 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2nv3 h ALA 83 CO -0.43 -0.73 -0.79 0.28 0.00 0.00 0.00 179.25 177.58 2nv3 h VAL 84 N 0.00 1.40 0.12 0.00 2.07 -0.30 -3.23 116.25 116.31 2nv3 h VAL 84 Ca 0.11 -2.87 -0.36 0.00 0.82 0.00 0.00 66.70 64.40 2nv3 h VAL 84 Cb 1.33 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.71 2nv3 h VAL 84 CO -0.00 0.77 -2.00 -0.11 0.02 0.00 0.00 177.57 176.26 2nv3 n LEU 85 N -3.35 2.62 -0.32 2.57 7.94 0.38 -4.14 117.00 122.69 2nv3 n LEU 85 Ca 0.01 0.21 0.11 0.00 -1.11 0.00 0.00 56.01 55.23 2nv3 n LEU 85 Cb 0.83 -1.11 0.33 0.00 0.53 0.00 0.00 43.42 44.00 2nv3 n LEU 85 CO 0.44 0.85 1.22 0.22 -1.11 0.00 0.00 177.39 179.01 2nv3 h TYR 86 N 0.07 0.97 0.00 1.96 3.20 -1.06 0.30 116.97 122.41 2nv3 h TYR 86 Ca -0.42 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.45 2nv3 h TYR 86 Cb 2.04 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 2nv3 h TYR 86 CO 0.08 0.33 -0.13 0.00 -1.64 0.00 0.00 178.16 176.80 2nv3 h VAL 88 N 0.00 1.42 -0.03 0.00 2.07 -0.56 0.53 116.25 119.69 2nv3 h VAL 88 Ca -0.00 -2.92 -0.13 0.00 0.82 0.00 0.00 66.70 64.47 2nv3 h VAL 88 Cb 0.34 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 2nv3 h VAL 88 CO 0.02 0.86 -0.59 0.45 0.02 0.00 0.00 177.57 178.32 2nv3 h HIS 89 N 0.11 0.11 -0.27 1.57 -0.00 -0.94 -2.80 115.15 112.93 2nv3 h HIS 89 Ca -0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 2nv3 h HIS 89 Cb 2.02 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 29.41 2nv3 h HIS 89 CO 0.09 0.66 0.00 0.94 -0.00 0.00 0.00 177.93 179.61 2nv3 n GLN 90 N -3.85 1.64 -3.02 2.45 -0.06 -0.83 -4.90 117.38 108.82 2nv3 n GLN 90 Ca -0.02 -0.98 -0.12 0.00 -2.00 0.00 0.00 57.00 53.88 2nv3 n GLN 90 Cb 0.60 -1.22 0.06 0.00 -4.06 0.00 0.00 30.24 25.62 2nv3 n GLN 90 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2nv3 n ARG 91 N 0.30 -4.69 -4.93 3.69 3.00 -1.06 -5.03 116.66 107.94 2nv3 n ARG 91 Ca 0.09 0.59 -0.28 0.00 -0.00 0.00 0.00 57.85 58.25 2nv3 n ARG 91 Cb 0.23 -4.85 -0.16 0.00 0.00 0.00 0.00 32.46 27.68 2nv3 n ARG 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2nv3 s ILE 92 N -3.25 1.59 -0.42 5.15 1.01 0.19 -5.03 121.20 120.44 2nv3 s ILE 92 Ca 0.03 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 2nv3 s ILE 92 Cb -0.01 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.10 2nv3 s ILE 92 CO 0.51 0.45 0.39 -1.81 0.00 0.00 0.00 174.94 174.49 2nv3 s ASP 93 N 0.18 6.17 0.62 3.58 1.11 -1.26 -3.97 116.67 123.10 2nv3 s ASP 93 Ca -0.09 -0.74 -0.08 0.00 0.18 0.00 0.00 52.55 51.82 2nv3 s ASP 93 Cb -0.14 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.65 2nv3 s ASP 93 CO 0.04 -0.54 0.96 0.68 1.18 0.00 0.00 175.17 177.49 2nv3 s VAL 94 N 2.00 3.79 -0.17 -1.27 -7.23 -1.26 -5.02 120.40 111.23 2nv3 s VAL 94 Ca 0.10 0.24 0.10 0.00 -1.81 0.00 0.00 61.98 60.61 2nv3 s VAL 94 Cb -0.18 -3.53 -0.18 0.00 0.56 0.00 0.00 36.38 33.06 2nv3 s VAL 94 CO 0.12 -0.60 -0.02 0.29 -0.31 0.00 0.00 175.10 174.58 2nv3 n LYS 95 N -2.70 1.09 -3.60 4.82 4.76 -1.26 -4.92 118.16 116.35 2nv3 n LYS 95 Ca 0.05 0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.46 2nv3 n LYS 95 Cb 0.57 -1.42 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 2nv3 n LYS 95 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2nv3 s ASP 96 N -5.31 -0.28 0.59 4.39 1.47 -1.26 -4.14 116.67 112.12 2nv3 s ASP 96 Ca -0.14 -0.16 0.31 0.00 1.18 0.00 0.00 52.55 53.74 2nv3 s ASP 96 Cb 0.06 0.41 1.33 0.00 -0.34 0.00 0.00 42.92 44.37 2nv3 s ASP 96 CO 0.61 -0.70 1.67 0.74 0.68 0.00 0.00 175.17 178.17 2nv3 h THR 97 N 2.00 0.23 0.00 2.11 2.02 -1.19 0.42 112.91 118.50 2nv3 h THR 97 Ca -0.23 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 2nv3 h THR 97 Cb 1.23 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2nv3 h THR 97 CO 0.28 0.00 -0.29 0.50 0.37 0.00 0.00 175.52 176.38 2nv3 h LYS 98 N 0.00 0.00 -0.94 6.66 3.64 -1.86 -3.10 116.57 120.97 2nv3 h LYS 98 Ca 0.40 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.98 2nv3 h LYS 98 Cb 2.07 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.81 2nv3 h LYS 98 CO -0.00 0.76 0.61 1.49 -2.27 0.00 0.00 179.45 180.03 2nv3 h GLU 99 N -1.00 0.53 -0.01 1.90 4.57 -1.35 0.23 114.58 119.46 2nv3 h GLU 99 Ca -0.07 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2nv3 h GLU 99 Cb 0.86 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2nv3 h GLU 99 CO -0.04 0.35 -0.00 0.00 -1.18 0.00 0.00 179.01 178.14 2nv3 h ALA 100 N 1.62 0.01 0.00 2.92 0.00 -1.32 -2.85 119.26 119.63 2nv3 h ALA 100 Ca 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2nv3 h ALA 100 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2nv3 h ALA 100 CO -0.24 -0.28 0.00 -0.11 0.00 0.00 0.00 179.25 178.62 2nv3 n LEU 101 N -4.88 0.67 0.06 0.00 -0.00 -0.55 -2.56 117.00 109.74 2nv3 n LEU 101 Ca -0.08 0.68 -0.21 0.00 -0.00 0.00 0.00 56.01 56.39 2nv3 n LEU 101 Cb 0.22 -0.60 -0.11 0.00 -0.00 0.00 0.00 43.42 42.93 2nv3 n LEU 101 CO 0.34 -0.60 0.02 0.44 -0.00 0.00 0.00 177.39 177.59 2nv3 h ASP 102 N 0.00 0.90 -0.05 1.96 5.19 -0.38 -0.82 116.42 123.23 2nv3 h ASP 102 Ca 0.00 -0.77 -0.08 0.00 -0.62 0.00 0.00 57.03 55.56 2nv3 h ASP 102 Cb 0.34 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 2nv3 h ASP 102 CO 0.00 1.57 -0.20 0.11 -3.12 0.00 0.00 179.24 177.60 2nv3 h LYS 103 N 0.35 0.43 0.00 3.56 1.79 -1.28 -2.25 116.57 119.18 2nv3 h LYS 103 Ca -0.15 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 2nv3 h LYS 103 Cb 1.78 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.39 2nv3 h LYS 103 CO 0.22 0.62 -0.70 0.82 -1.08 0.00 0.00 179.45 179.33 2nv3 h ILE 104 N 0.39 0.05 0.00 1.86 2.04 -1.59 -3.21 117.51 117.05 2nv3 h ILE 104 Ca 0.06 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 2nv3 h ILE 104 Cb 0.58 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2nv3 h ILE 104 CO 0.04 0.03 -0.22 -0.08 0.00 0.00 0.00 178.15 177.92 2nv3 h GLU 105 N 0.00 0.00 0.00 2.37 4.22 -0.79 -2.45 114.58 117.93 2nv3 h GLU 105 Ca -0.01 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.17 2nv3 h GLU 105 Cb 1.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 2nv3 h GLU 105 CO 0.00 0.22 -1.50 1.49 -2.18 0.00 0.00 179.01 177.04 2nv3 h GLU 106 N 0.00 0.00 0.02 1.92 4.81 -1.49 -3.22 114.58 116.63 2nv3 h GLU 106 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2nv3 h GLU 106 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2nv3 h GLU 106 CO 0.03 0.62 -0.01 1.49 -0.73 0.00 0.00 179.01 180.41 2nv3 h GLU 107 N 0.00 -0.02 -0.54 1.92 4.81 -1.57 -3.06 114.58 116.11 2nv3 h GLU 107 Ca -0.21 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2nv3 h GLU 107 Cb 1.93 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 31.26 2nv3 h GLU 107 CO 0.09 0.71 0.22 0.37 -0.73 0.00 0.00 179.01 179.67 2nv3 h GLN 108 N -0.93 0.41 -0.76 1.92 5.75 -1.62 -1.15 115.11 118.73 2nv3 h GLN 108 Ca -0.00 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2nv3 h GLN 108 Cb 0.74 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.16 2nv3 h GLN 108 CO 0.00 0.27 0.50 -0.97 -2.65 0.00 0.00 178.83 175.99 2nv3 h ASN 109 N 0.42 0.81 -0.38 -0.69 -0.73 -1.68 -1.32 115.58 112.01 2nv3 h ASN 109 Ca 0.26 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.39 2nv3 h ASN 109 Cb 0.26 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2nv3 h ASN 109 CO -0.24 0.56 0.15 0.50 -0.37 0.00 0.00 177.43 178.02 2nv3 h LYS 110 N 0.94 0.63 -0.85 6.67 3.64 -1.11 -2.49 116.57 124.00 2nv3 h LYS 110 Ca 0.30 -0.09 -0.55 0.00 -1.27 0.00 0.00 60.65 59.04 2nv3 h LYS 110 Cb 0.03 -0.11 -0.29 0.00 -0.41 0.00 0.00 32.23 31.45 2nv3 h LYS 110 CO -0.08 0.54 0.34 0.43 -2.27 0.00 0.00 179.45 178.41 2nv3 n SER 111 N -4.35 5.60 -0.08 4.20 7.64 -0.55 -4.42 113.62 121.66 2nv3 n SER 111 Ca 0.03 -3.75 -0.09 0.00 1.01 0.00 0.00 58.87 56.06 2nv3 n SER 111 Cb 0.17 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 62.50 2nv3 n SER 111 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2nv3 n LYS 112 N -0.95 1.14 0.10 1.43 0.00 -0.88 -4.22 118.16 114.78 2nv3 n LYS 112 Ca 0.54 0.04 -0.03 0.00 0.00 0.00 0.00 58.31 58.86 2nv3 n LYS 112 Cb 0.97 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 34.64 2nv3 n LYS 112 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2nv3 h LYS 113 N 0.00 0.00 -0.88 1.64 1.57 -1.77 -3.19 116.57 113.94 2nv3 h LYS 113 Ca -0.39 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.00 2nv3 h LYS 113 Cb 1.75 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.82 2nv3 h LYS 113 CO -0.02 0.79 0.49 1.63 -0.57 0.00 0.00 179.45 181.77 2nv3 n LYS 114 N -3.45 2.79 -0.04 3.15 5.02 -1.26 -3.94 118.16 120.42 2nv3 n LYS 114 Ca 0.00 -3.05 -0.05 0.00 -2.02 0.00 0.00 58.31 53.19 2nv3 n LYS 114 Cb 0.80 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 2nv3 n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nv3 n ALA 115 N -0.78 1.81 -0.48 7.82 0.00 -1.20 -4.97 120.51 122.70 2nv3 n ALA 115 Ca 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2nv3 n ALA 115 Cb 1.55 0.15 0.00 0.00 0.00 0.00 0.00 19.45 21.15 2nv3 n ALA 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nv3 n GLN 116 N -2.43 0.00 -2.43 0.00 6.02 -1.26 -5.00 117.38 112.29 2nv3 n GLN 116 Ca -0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.73 2nv3 n GLN 116 Cb 0.72 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.98 2nv3 n GLN 116 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2nv3 n GLN 117 N -1.77 -2.20 0.04 -1.09 7.27 -1.25 -4.42 117.38 113.95 2nv3 n GLN 117 Ca 0.00 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.68 2nv3 n GLN 117 Cb 0.00 -5.21 0.00 0.00 2.41 0.00 0.00 30.24 27.44 2nv3 n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nv3 n ALA 118 N -2.19 0.00 0.28 1.69 0.00 -1.26 -4.92 120.51 114.11 2nv3 n ALA 118 Ca -0.15 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.45 2nv3 n ALA 118 Cb 0.61 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.88 2nv3 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nv3 h ALA 119 N 0.00 1.11 -1.89 0.00 0.00 -1.97 -3.42 119.26 113.08 2nv3 h ALA 119 Ca 0.00 -0.06 -0.45 0.00 0.00 0.00 0.00 54.91 54.40 2nv3 h ALA 119 Cb 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 17.79 17.92 2nv3 h ALA 119 CO 0.00 0.08 0.35 0.00 0.00 0.00 0.00 179.25 179.68 2nv3 s ALA 120 N -3.98 2.59 0.00 0.00 0.00 -1.26 -4.51 121.76 114.61 2nv3 s ALA 120 Ca -0.02 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2nv3 s ALA 120 Cb 0.12 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2nv3 s ALA 120 CO 0.53 -2.18 0.00 -0.25 0.00 0.00 0.00 175.76 173.87 2nv3 n ASP 121 N -3.53 0.00 -1.16 0.00 8.00 -1.26 -4.93 116.55 113.67 2nv3 n ASP 121 Ca 0.15 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.78 2nv3 n ASP 121 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 2nv3 n ASP 121 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2nv3 n THR 122 N 0.00 0.00 0.00 -3.53 -1.04 -1.26 -5.02 114.28 103.43 2nv3 n THR 122 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2nv3 n THR 122 Cb 0.00 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 2nv3 n THR 122 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2nv3 n GLY 123 N -2.99 1.86 3.83 3.41 0.00 -1.26 -5.18 105.19 104.85 2nv3 n GLY 123 Ca 0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2nv3 n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nv3 s ASN 124 N 0.00 5.02 0.14 1.61 0.01 -1.26 -5.14 114.94 115.33 2nv3 s ASN 124 Ca 0.00 -0.67 0.07 0.00 -0.71 0.00 0.00 52.86 51.54 2nv3 s ASN 124 Cb 0.00 -0.76 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 2nv3 s ASN 124 CO 0.00 -0.45 -0.02 0.54 -1.51 0.00 0.00 177.10 175.67 2nv3 s ASN 125 N -4.00 4.77 -0.11 -1.22 4.22 -1.26 -5.12 114.94 112.22 2nv3 s ASN 125 Ca 0.42 -0.34 0.03 0.00 -2.14 0.00 0.00 52.86 50.84 2nv3 s ASN 125 Cb -0.04 -1.03 -0.00 0.00 1.28 0.00 0.00 41.25 41.46 2nv3 s ASN 125 CO 0.26 0.12 -0.22 -0.44 -2.04 0.00 0.00 177.10 174.78 2nv3 s SER 126 N -2.67 3.20 -0.23 3.54 0.01 -1.26 -5.10 113.70 111.20 2nv3 s SER 126 Ca 0.26 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 2nv3 s SER 126 Cb -0.10 -1.44 0.12 0.00 0.21 0.00 0.00 66.02 64.81 2nv3 s SER 126 CO 0.18 0.15 0.34 -1.58 0.41 0.00 0.00 173.24 172.74 2nv3 s GLN 127 N 0.41 0.30 -0.15 12.44 0.74 -1.26 -5.14 119.66 126.99 2nv3 s GLN 127 Ca -0.16 0.50 -0.13 0.00 0.05 0.00 0.00 55.36 55.62 2nv3 s GLN 127 Cb -0.17 -0.57 0.04 0.00 1.10 0.00 0.00 33.01 33.41 2nv3 s GLN 127 CO 0.07 -0.60 0.40 0.54 -0.55 0.00 0.00 175.29 175.16 2nv3 s VAL 128 N 2.49 -0.00 -0.30 1.34 0.11 -1.26 -5.15 120.40 117.63 2nv3 s VAL 128 Ca 0.10 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 2nv3 s VAL 128 Cb -0.15 -0.57 0.17 0.00 -1.53 0.00 0.00 36.38 34.30 2nv3 s VAL 128 CO -0.14 0.01 0.95 -0.44 -3.33 0.00 0.00 175.10 172.14 2nv3 s SER 129 N 0.41 -0.66 -0.11 3.54 0.01 -1.26 -5.16 113.70 110.47 2nv3 s SER 129 Ca -0.02 0.72 -0.01 0.00 1.31 0.00 0.00 55.95 57.95 2nv3 s SER 129 Cb -0.04 1.68 -0.03 0.00 0.21 0.00 0.00 66.02 67.84 2nv3 s SER 129 CO -0.02 -0.12 -0.06 -1.10 0.41 0.00 0.00 173.24 172.35 2nv3 s GLN 130 N 2.63 3.23 0.52 12.44 1.11 -1.26 -5.11 119.66 133.23 2nv3 s GLN 130 Ca 0.00 -0.54 -0.19 0.00 0.01 0.00 0.00 55.36 54.64 2nv3 s GLN 130 Cb -0.08 -2.75 -0.07 0.00 -1.01 0.00 0.00 33.01 29.11 2nv3 s GLN 130 CO -0.16 0.44 1.05 1.21 0.01 0.00 0.00 175.29 177.84 2nv3 s ASN 131 N -0.18 6.10 0.00 5.90 2.47 -1.26 -5.38 114.94 122.58 2nv3 s ASN 131 Ca 0.03 1.92 0.00 0.00 0.42 0.00 0.00 52.86 55.23 2nv3 s ASN 131 Cb -0.13 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 2nv3 s ASN 131 CO 0.03 -0.95 0.00 0.00 -3.72 0.00 0.00 177.10 172.46