#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 0.00 -0.38 4.61 0.00 -1.26 -5.14 120.51 118.34 2nv3 n ALA 3 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2nv3 n ALA 3 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 2nv3 n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2nv3 n ARG 4 N 0.00 -3.61 -1.14 0.00 0.63 -1.26 -4.82 116.66 106.46 2nv3 n ARG 4 Ca 0.00 -1.11 0.16 0.00 -0.92 0.00 0.00 57.85 55.98 2nv3 n ARG 4 Cb 0.00 -1.58 -0.04 0.00 0.45 0.00 0.00 32.46 31.29 2nv3 n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2nv3 n ALA 5 N -5.12 -3.37 -3.65 5.13 0.00 -1.26 -4.94 120.51 107.30 2nv3 n ALA 5 Ca -0.15 0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 2nv3 n ALA 5 Cb 0.46 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 2nv3 n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nv3 s SER 6 N -5.87 -0.76 0.16 0.00 1.04 -1.26 -4.99 113.70 102.01 2nv3 s SER 6 Ca 0.00 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2nv3 s SER 6 Cb 0.00 1.79 0.00 0.00 0.10 0.00 0.00 66.02 67.91 2nv3 s SER 6 CO 0.00 -0.22 0.00 0.52 0.98 0.00 0.00 173.24 174.52 2nv3 n VAL 7 N 5.28 0.84 0.00 5.02 0.31 -1.26 -5.08 118.33 123.43 2nv3 n VAL 7 Ca -0.12 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 2nv3 n VAL 7 Cb 0.50 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 2nv3 n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nv3 n ALA 8 N -3.48 2.05 -2.68 3.52 0.00 -1.26 -5.03 120.51 113.62 2nv3 n ALA 8 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2nv3 n ALA 8 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.51 2nv3 n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nv3 n SER 9 N -1.07 -4.77 0.00 0.00 2.88 -1.26 -4.59 113.62 104.80 2nv3 n SER 9 Ca 0.00 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 2nv3 n SER 9 Cb 0.00 -3.61 0.00 0.00 -0.75 0.00 0.00 64.21 59.85 2nv3 n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2nv3 n GLY 10 N -1.30 2.57 0.04 0.46 0.00 -1.26 -5.00 105.19 100.70 2nv3 n GLY 10 Ca -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 2nv3 n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2nv3 h GLY 11 N 0.00 0.00 1.82 -0.02 0.00 -1.99 -3.32 103.07 99.56 2nv3 h GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nv3 h GLY 11 CO 0.00 0.00 0.08 0.83 0.00 0.00 0.00 176.54 177.45 2nv3 h GLU 12 N -0.74 0.00 -0.05 4.80 5.08 -1.94 -1.96 114.58 119.77 2nv3 h GLU 12 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2nv3 h GLU 12 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2nv3 h GLU 12 CO 0.00 0.00 0.00 1.25 -1.00 0.00 0.00 179.01 179.26 2nv3 h LEU 13 N 0.00 0.08 -0.64 1.33 5.85 -1.96 0.29 115.31 120.27 2nv3 h LEU 13 Ca 0.00 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.45 2nv3 h LEU 13 Cb 0.17 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2nv3 h LEU 13 CO 0.00 0.37 0.39 0.44 -0.34 0.00 0.00 178.44 179.30 2nv3 h ASP 14 N -0.21 0.62 -0.19 1.25 5.19 -1.45 -1.99 116.42 119.64 2nv3 h ASP 14 Ca 0.01 0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.34 2nv3 h ASP 14 Cb 0.33 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 2nv3 h ASP 14 CO 0.00 0.42 -0.25 0.11 -3.12 0.00 0.00 179.24 176.40 2nv3 h LYS 15 N 0.75 0.50 -0.43 3.56 6.56 -1.52 -2.73 116.57 123.25 2nv3 h LYS 15 Ca 0.26 -0.29 0.09 0.00 -1.06 0.00 0.00 60.65 59.65 2nv3 h LYS 15 Cb 0.06 0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 31.65 2nv3 h LYS 15 CO -0.12 0.88 -0.17 2.35 -2.06 0.00 0.00 179.45 180.33 2nv3 h TRP 16 N 0.15 -0.40 0.00 -1.35 2.91 -0.11 0.60 115.95 117.75 2nv3 h TRP 16 Ca 0.02 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2nv3 h TRP 16 Cb 0.82 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 2nv3 h TRP 16 CO 0.09 -0.25 0.00 0.39 -1.03 0.00 0.00 178.44 177.64 2nv3 n GLU 17 N -5.37 0.69 0.02 2.65 1.02 -0.78 -2.81 120.64 116.07 2nv3 n GLU 17 Ca 0.03 0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.13 2nv3 n GLU 17 Cb 0.28 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 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 -6.70 3.49 3.64 0.51 -3.41 116.57 114.10 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 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2nv3 h LYS 18 CO 0.00 0.54 0.43 0.42 -2.27 0.00 0.00 179.45 178.58 2nv3 s ILE 19 N -2.71 3.91 0.27 2.00 1.01 -0.89 -4.97 121.20 119.82 2nv3 s ILE 19 Ca -0.03 1.76 -0.18 0.00 0.00 0.00 0.00 60.65 62.20 2nv3 s ILE 19 Cb 0.08 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 2nv3 s ILE 19 CO 0.82 0.35 0.74 -0.13 0.00 0.00 0.00 174.94 176.72 2nv3 s ARG 20 N -0.75 4.18 0.23 2.79 0.52 -1.26 -1.81 118.95 122.85 2nv3 s ARG 20 Ca 0.46 0.83 0.11 0.00 -0.52 0.00 0.00 55.73 56.61 2nv3 s ARG 20 Cb -0.28 -2.70 0.17 0.00 0.52 0.00 0.00 34.95 32.66 2nv3 s ARG 20 CO 0.35 0.29 1.49 -0.07 0.02 0.00 0.00 175.30 177.38 2nv3 h LEU 21 N 2.95 0.00 -9.17 2.53 3.38 -0.70 -0.92 115.31 113.38 2nv3 h LEU 21 Ca -0.48 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.92 2nv3 h LEU 21 Cb 1.19 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 2nv3 h LEU 21 CO 0.65 0.71 -0.73 -0.13 0.09 0.00 0.00 178.44 179.02 2nv3 s ARG 22 N -3.21 1.62 0.05 1.13 0.52 -1.26 -4.31 118.95 113.48 2nv3 s ARG 22 Ca 0.00 -1.76 -0.19 0.00 -0.52 0.00 0.00 55.73 53.26 2nv3 s ARG 22 Cb 0.11 -1.57 -0.13 0.00 0.52 0.00 0.00 34.95 33.87 2nv3 s ARG 22 CO 0.77 0.24 1.36 -1.00 0.02 0.00 0.00 175.30 176.69 2nv3 h PRO 23 N 2.29 0.41 -0.19 3.54 0.13 -1.93 -3.31 132.00 132.94 2nv3 h PRO 23 Ca -0.40 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 64.46 2nv3 h PRO 23 Cb 1.25 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2nv3 h PRO 23 CO 0.63 0.77 -0.09 0.41 -0.23 0.00 0.00 178.00 179.49 2nv3 n GLY 24 N 0.18 4.66 0.00 1.56 0.00 -1.26 -4.92 105.19 105.41 2nv3 n GLY 24 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.01 2.30 0.00 -0.02 0.00 -1.25 -5.05 105.19 100.16 2nv3 n GLY 25 Ca 0.24 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.82 1.29 -2.53 1.61 4.81 -1.26 -4.88 118.16 116.38 2nv3 n LYS 26 Ca 0.00 -0.26 -0.34 0.00 -0.87 0.00 0.00 58.31 56.84 2nv3 n LYS 26 Cb 0.00 -0.73 -0.03 0.00 0.02 0.00 0.00 35.03 34.29 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 -0.26 3.80 0.42 1.64 1.02 -1.26 -4.94 119.74 120.15 2nv3 s LYS 27 Ca 0.00 1.35 0.03 0.00 0.02 0.00 0.00 55.97 57.37 2nv3 s LYS 27 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 2nv3 s LYS 27 CO 0.00 -0.43 0.07 -0.65 -0.92 0.00 0.00 175.35 173.41 2nv3 s GLN 28 N -3.26 1.95 0.22 1.68 1.11 -1.26 -0.04 119.66 120.05 2nv3 s GLN 28 Ca 0.67 -2.18 -0.29 0.00 0.01 0.00 0.00 55.36 53.57 2nv3 s GLN 28 Cb -0.16 -1.01 -0.09 0.00 -1.01 0.00 0.00 33.01 30.74 2nv3 s GLN 28 CO 0.20 -0.35 0.91 0.71 0.01 0.00 0.00 175.29 176.77 2nv3 s TYR 29 N -3.09 3.96 0.17 0.91 2.02 -0.75 -4.56 117.35 116.01 2nv3 s TYR 29 Ca 0.23 1.85 0.06 0.00 -0.37 0.00 0.00 57.07 58.84 2nv3 s TYR 29 Cb 0.04 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.62 2nv3 s TYR 29 CO 0.12 0.46 -0.12 0.15 -1.57 0.00 0.00 175.55 174.59 2nv3 s LYS 30 N -1.11 1.16 0.38 -0.62 1.02 -1.26 -3.91 119.74 115.39 2nv3 s LYS 30 Ca 0.40 -1.49 0.20 0.00 0.02 0.00 0.00 55.97 55.10 2nv3 s LYS 30 Cb -0.25 -0.84 1.25 0.00 -0.52 0.00 0.00 37.83 37.47 2nv3 s LYS 30 CO 0.31 0.13 1.63 -0.07 -0.92 0.00 0.00 175.35 176.43 2nv3 h LEU 31 N 2.74 0.39 -1.09 3.17 3.38 -1.98 0.29 115.31 122.21 2nv3 h LEU 31 Ca -0.37 0.19 0.44 0.00 0.09 0.00 0.00 57.88 58.23 2nv3 h LEU 31 Cb 1.20 0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.95 2nv3 h LEU 31 CO 0.62 -0.23 0.62 1.17 0.09 0.00 0.00 178.44 180.72 2nv3 n LYS 32 N -5.01 -0.05 -0.02 1.13 0.00 -1.26 0.19 118.16 113.14 2nv3 n LYS 32 Ca 0.35 1.35 -0.16 0.00 0.00 0.00 0.00 58.31 59.85 2nv3 n LYS 32 Cb 1.18 -2.48 -0.12 0.00 0.00 0.00 0.00 35.03 33.61 2nv3 n LYS 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2nv3 h HIS 33 N 0.00 0.30 -0.40 5.64 -0.00 -0.82 0.39 115.15 120.26 2nv3 h HIS 33 Ca 0.86 -0.18 0.12 0.00 -0.00 0.00 0.00 60.37 61.16 2nv3 h HIS 33 Cb 2.40 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 29.76 2nv3 h HIS 33 CO -0.01 1.04 0.36 0.82 -0.00 0.00 0.00 177.93 180.14 2nv3 h ILE 34 N -0.52 0.54 0.09 2.45 2.04 -0.31 0.39 117.51 122.19 2nv3 h ILE 34 Ca -0.05 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.44 2nv3 h ILE 34 Cb 1.16 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2nv3 h ILE 34 CO 0.07 0.00 -2.12 0.52 0.00 0.00 0.00 178.15 176.62 2nv3 n VAL 35 N -3.99 1.71 0.27 1.67 0.31 -0.33 -3.28 118.33 114.69 2nv3 n VAL 35 Ca 0.07 -0.63 0.12 0.00 -0.01 0.00 0.00 64.34 63.89 2nv3 n VAL 35 Cb 0.54 -1.66 0.75 0.00 -0.91 0.00 0.00 33.84 32.57 2nv3 n VAL 35 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2nv3 h TRP 36 N 0.05 0.00 0.00 3.52 7.01 -0.01 -2.25 115.95 124.28 2nv3 h TRP 36 Ca -0.46 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.48 2nv3 h TRP 36 Cb 2.00 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 29.05 2nv3 h TRP 36 CO 0.07 0.08 -0.36 0.00 -2.79 0.00 0.00 178.44 175.44 2nv3 h ALA 37 N 1.92 0.06 -1.00 2.65 0.00 -1.11 -3.06 119.26 118.71 2nv3 h ALA 37 Ca -0.00 -0.55 0.22 0.00 0.00 0.00 0.00 54.91 54.58 2nv3 h ALA 37 Cb 0.20 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 2nv3 h ALA 37 CO 0.01 0.23 0.61 1.03 0.00 0.00 0.00 179.25 181.13 2nv3 h SER 38 N -1.00 0.71 0.30 0.00 0.87 -1.52 -1.29 113.55 111.62 2nv3 h SER 38 Ca -0.08 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2nv3 h SER 38 Cb 0.77 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2nv3 h SER 38 CO -0.05 0.20 -0.15 -0.09 -0.53 0.00 0.00 176.83 176.21 2nv3 h ARG 39 N 0.66 -0.39 -0.63 2.24 2.43 -1.55 -3.03 114.38 114.11 2nv3 h ARG 39 Ca 0.60 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.92 2nv3 h ARG 39 Cb 1.08 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.59 2nv3 h ARG 39 CO -0.40 -0.06 -0.20 1.49 -1.51 0.00 0.00 179.97 179.29 2nv3 h GLU 40 N -0.82 -0.04 -0.74 0.20 4.57 -1.22 0.97 114.58 117.50 2nv3 h GLU 40 Ca -0.04 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.28 2nv3 h GLU 40 Cb 0.52 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.02 2nv3 h GLU 40 CO 0.07 -0.03 0.28 -0.07 -1.18 0.00 0.00 179.01 178.08 2nv3 h LEU 41 N -0.04 0.24 -1.99 1.64 3.38 -1.31 0.32 115.31 117.55 2nv3 h LEU 41 Ca 0.29 0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.53 2nv3 h LEU 41 Cb 0.49 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2nv3 h LEU 41 CO -0.67 0.09 0.46 -0.08 0.09 0.00 0.00 178.44 178.34 2nv3 h GLU 42 N 0.42 0.00 0.00 1.13 4.22 -0.31 0.30 114.58 120.34 2nv3 h GLU 42 Ca 0.40 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.72 2nv3 h GLU 42 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2nv3 h GLU 42 CO -0.41 0.00 -1.47 -2.13 -2.18 0.00 0.00 179.01 172.82 2nv3 n ARG 43 N -4.03 0.63 -0.30 1.92 0.00 0.99 -3.99 116.66 111.88 2nv3 n ARG 43 Ca 0.10 0.12 -0.02 0.00 -0.00 0.00 0.00 57.85 58.06 2nv3 n ARG 43 Cb 0.68 -1.75 0.09 0.00 0.00 0.00 0.00 32.46 31.48 2nv3 n ARG 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2nv3 n PHE 44 N -2.74 0.73 -1.81 -0.14 3.72 0.88 -4.81 117.46 113.28 2nv3 n PHE 44 Ca -0.09 -0.49 -0.19 0.00 -0.05 0.00 0.00 57.45 56.64 2nv3 n PHE 44 Cb 0.76 -0.32 -0.06 0.00 -0.94 0.00 0.00 39.48 38.93 2nv3 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nv3 n ALA 45 N 0.12 -0.38 -3.83 4.37 0.00 -1.10 -4.97 120.51 114.71 2nv3 n ALA 45 Ca 0.12 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 2nv3 n ALA 45 Cb 0.66 -1.98 -0.17 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.79 1.55 0.40 0.00 1.01 -0.11 -5.04 120.40 115.42 2nv3 s VAL 46 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 2nv3 s VAL 46 Cb 0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.85 2nv3 s VAL 46 CO 0.00 0.45 1.45 0.20 0.00 0.00 0.00 175.10 177.20 2nv3 s ASN 47 N 1.23 6.20 0.00 3.32 -0.87 -1.26 -2.19 114.94 121.37 2nv3 s ASN 47 Ca -0.01 2.96 0.15 0.00 -1.57 0.00 0.00 52.86 54.39 2nv3 s ASN 47 Cb -0.14 -2.66 0.70 0.00 -0.02 0.00 0.00 41.25 39.13 2nv3 s ASN 47 CO -0.06 -0.96 1.42 -0.81 -2.57 0.00 0.00 177.10 174.12 2nv3 n PRO 48 N 0.23 0.14 -0.05 -0.60 -0.04 -1.26 -2.60 135.00 130.83 2nv3 n PRO 48 Ca 0.02 0.18 0.05 0.00 -0.04 0.00 0.00 63.50 63.72 2nv3 n PRO 48 Cb 0.40 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.04 -0.47 1.65 0.55 0.00 -1.26 -3.64 105.19 101.98 2nv3 n GLY 49 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 4.91 0.00 0.99 4.77 -1.07 -3.82 117.00 122.53 2nv3 n LEU 50 Ca 0.09 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 2nv3 n LEU 50 Cb 0.13 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2nv3 n LEU 50 CO 0.07 0.63 0.04 0.18 -1.33 0.00 0.00 177.39 176.98 2nv3 n LEU 51 N 0.17 0.16 -0.01 2.23 4.77 -1.24 -2.53 117.00 120.55 2nv3 n LEU 51 Ca 0.27 -0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 55.52 2nv3 n LEU 51 Cb 1.08 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.10 2nv3 n LEU 51 CO 0.30 0.04 0.24 1.05 -1.33 0.00 0.00 177.39 177.70 2nv3 h GLU 52 N 0.00 0.76 -5.26 3.23 4.11 -1.83 -3.44 114.58 112.16 2nv3 h GLU 52 Ca 0.00 -0.65 -0.63 0.00 0.07 0.00 0.00 59.36 58.15 2nv3 h GLU 52 Cb 0.00 0.14 -0.20 0.00 0.50 0.00 0.00 28.75 29.19 2nv3 h GLU 52 CO 0.00 1.25 -0.64 0.95 0.07 0.00 0.00 179.01 180.64 2nv3 s THR 53 N -3.68 4.11 0.41 -1.06 -4.23 -1.26 -4.98 115.64 104.95 2nv3 s THR 53 Ca -0.10 -0.27 0.23 0.00 -1.18 0.00 0.00 61.69 60.37 2nv3 s THR 53 Cb 0.08 -2.83 0.43 0.00 1.34 0.00 0.00 72.50 71.52 2nv3 s THR 53 CO 0.90 0.47 1.71 0.77 -0.54 0.00 0.00 174.62 177.94 2nv3 h SER 54 N 6.85 0.36 -0.66 3.99 4.64 -1.92 0.42 113.55 127.22 2nv3 h SER 54 Ca -0.33 0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 2nv3 h SER 54 Cb 1.18 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 2nv3 h SER 54 CO 0.64 -0.02 0.43 -0.33 -0.87 0.00 0.00 176.83 176.68 2nv3 h GLU 55 N 0.27 0.85 -0.77 4.77 3.07 -1.93 -2.60 114.58 118.23 2nv3 h GLU 55 Ca 0.68 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.60 2nv3 h GLU 55 Cb 1.92 -0.19 -0.08 0.00 -0.84 0.00 0.00 28.75 29.56 2nv3 h GLU 55 CO -0.35 0.56 0.40 0.78 -1.40 0.00 0.00 179.01 179.01 2nv3 h GLY 56 N 0.88 1.19 0.69 -3.84 0.00 -0.36 -1.85 103.07 99.78 2nv3 h GLY 56 Ca 0.25 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2nv3 h GLY 56 CO -0.06 0.06 0.25 0.00 0.00 0.00 0.00 176.54 176.78 2nv3 h ARG 58 N 0.49 0.25 -0.25 0.00 2.43 -1.25 0.34 114.38 116.38 2nv3 h ARG 58 Ca 0.23 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2nv3 h ARG 58 Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2nv3 h ARG 58 CO -0.17 0.16 -0.28 0.37 -1.51 0.00 0.00 179.97 178.54 2nv3 h GLN 59 N 0.25 0.50 0.26 0.20 5.75 -1.33 -2.02 115.11 118.73 2nv3 h GLN 59 Ca 0.46 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.75 2nv3 h GLN 59 Cb 0.83 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.36 2nv3 h GLN 59 CO -0.56 0.73 -0.13 0.82 -2.65 0.00 0.00 178.83 177.05 2nv3 h ILE 60 N 0.44 0.78 -0.32 2.39 2.04 0.06 -2.37 117.51 120.53 2nv3 h ILE 60 Ca 0.06 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2nv3 h ILE 60 Cb 0.71 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 2nv3 h ILE 60 CO 0.05 0.12 0.10 -0.07 0.00 0.00 0.00 178.15 178.36 2nv3 h LEU 61 N -0.69 0.09 -1.71 1.44 3.38 -0.81 -1.61 115.31 115.42 2nv3 h LEU 61 Ca -0.04 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2nv3 h LEU 61 Cb 0.47 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2nv3 h LEU 61 CO 0.06 0.09 0.33 1.23 0.09 0.00 0.00 178.44 180.24 2nv3 h GLY 62 N 0.23 0.46 0.73 0.83 0.00 -1.39 0.85 103.07 104.78 2nv3 h GLY 62 Ca 0.15 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2nv3 h GLY 62 CO -0.16 0.10 -0.13 1.46 0.00 0.00 0.00 176.54 177.81 2nv3 h GLN 63 N 0.35 0.34 0.00 4.80 1.08 -0.76 -3.09 115.11 117.83 2nv3 h GLN 63 Ca 0.22 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2nv3 h GLN 63 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2nv3 h GLN 63 CO -0.05 0.72 -0.14 1.28 -0.95 0.00 0.00 178.83 179.69 2nv3 n LEU 64 N -4.58 0.49 0.19 1.46 4.77 -0.84 -4.04 117.00 114.44 2nv3 n LEU 64 Ca -0.06 0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 56.19 2nv3 n LEU 64 Cb 0.35 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 2nv3 n LEU 64 CO 0.39 -0.07 0.54 -0.61 -1.33 0.00 0.00 177.39 176.30 2nv3 h GLN 65 N 0.00 -0.81 0.00 3.23 4.15 0.81 0.31 115.11 122.80 2nv3 h GLN 65 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2nv3 h GLN 65 Cb 0.63 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2nv3 h GLN 65 CO 0.00 -0.54 0.00 -0.35 -1.93 0.00 0.00 178.83 176.01 2nv3 n PRO 66 N -5.52 0.43 -0.00 -2.39 -0.04 -1.25 -1.86 135.00 124.37 2nv3 n PRO 66 Ca -0.10 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.44 2nv3 n PRO 66 Cb 0.43 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 2nv3 n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2nv3 n SER 67 N -1.06 0.50 0.29 3.54 2.88 -0.21 -4.50 113.62 115.07 2nv3 n SER 67 Ca 0.11 -0.74 0.18 0.00 -1.33 0.00 0.00 58.87 57.08 2nv3 n SER 67 Cb 0.07 1.00 0.92 0.00 -0.75 0.00 0.00 64.21 65.45 2nv3 n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2nv3 h LEU 68 N 0.00 0.00 0.04 2.46 3.38 0.28 -0.84 115.31 120.63 2nv3 h LEU 68 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2nv3 h LEU 68 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2nv3 h LEU 68 CO 0.00 0.00 -1.98 1.67 0.09 0.00 0.00 178.44 178.22 2nv3 n GLN 69 N -3.19 0.65 -0.82 1.13 7.27 -1.26 -4.29 117.38 116.87 2nv3 n GLN 69 Ca -0.01 0.33 -0.16 0.00 0.07 0.00 0.00 57.00 57.23 2nv3 n GLN 69 Cb 0.31 -1.64 0.07 0.00 2.41 0.00 0.00 30.24 31.38 2nv3 n GLN 69 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2nv3 n THR 70 N -3.85 2.57 -3.90 1.69 -2.24 -0.73 -4.88 114.28 102.93 2nv3 n THR 70 Ca -0.39 -1.46 -0.10 0.00 -2.27 0.00 0.00 64.05 59.84 2nv3 n THR 70 Cb 0.90 -1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 67.99 2nv3 n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2nv3 s GLY 71 N -0.12 0.13 0.00 3.38 0.00 -0.40 -4.99 107.32 105.32 2nv3 s GLY 71 Ca 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.55 2nv3 s GLY 71 CO 0.02 -0.65 0.00 -1.14 0.00 0.00 0.00 173.10 171.33 2nv3 n SER 72 N 0.63 -0.14 0.06 1.64 3.41 -1.26 -4.84 113.62 113.13 2nv3 n SER 72 Ca -0.18 -0.69 0.08 0.00 -0.26 0.00 0.00 58.87 57.82 2nv3 n SER 72 Cb 0.59 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.88 2nv3 n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2nv3 n GLU 73 N -0.82 0.08 0.06 4.33 1.02 -1.26 -2.78 120.64 121.27 2nv3 n GLU 73 Ca 0.00 0.41 -0.13 0.00 -0.02 0.00 0.00 57.16 57.43 2nv3 n GLU 73 Cb 0.00 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 29.65 2nv3 n GLU 73 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2nv3 h GLU 74 N 0.00 -0.15 -0.00 3.49 5.08 -1.99 -0.21 114.58 120.79 2nv3 h GLU 74 Ca 0.00 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2nv3 h GLU 74 Cb 0.19 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2nv3 h GLU 74 CO 0.00 0.20 -0.58 1.25 -1.00 0.00 0.00 179.01 178.89 2nv3 h LEU 75 N -0.54 0.02 -0.66 1.33 6.46 -1.86 -2.90 115.31 117.16 2nv3 h LEU 75 Ca -0.02 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.62 2nv3 h LEU 75 Cb 0.43 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2nv3 h LEU 75 CO 0.03 0.59 -0.56 0.03 -0.62 0.00 0.00 178.44 177.90 2nv3 h ARG 76 N 0.01 0.00 -0.18 1.25 3.08 -1.50 -3.07 114.38 113.97 2nv3 h ARG 76 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 2nv3 h ARG 76 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.08 2nv3 h ARG 76 CO 0.08 0.56 -0.74 0.77 -1.07 0.00 0.00 179.97 179.57 2nv3 h SER 77 N 0.00 0.94 0.17 7.04 0.02 -0.84 -3.19 113.55 117.70 2nv3 h SER 77 Ca -0.01 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.34 2nv3 h SER 77 Cb 1.13 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2nv3 h SER 77 CO 0.07 1.40 -0.08 -0.07 -1.14 0.00 0.00 176.83 177.01 2nv3 h LEU 78 N 0.56 -0.19 -0.88 5.07 -0.00 -1.50 -1.96 115.31 116.41 2nv3 h LEU 78 Ca -0.04 -0.04 0.21 0.00 -0.00 0.00 0.00 57.88 58.01 2nv3 h LEU 78 Cb 1.36 0.05 -0.12 0.00 -0.00 0.00 0.00 40.66 41.95 2nv3 h LEU 78 CO 0.15 -0.08 0.37 0.22 -0.00 0.00 0.00 178.44 179.10 2nv3 h TYR 79 N -0.29 0.61 -0.25 1.13 5.03 -1.61 0.52 116.97 122.12 2nv3 h TYR 79 Ca -0.02 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.22 2nv3 h TYR 79 Cb 0.22 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 2nv3 h TYR 79 CO -0.05 -0.04 -0.28 -0.91 -1.32 0.00 0.00 178.16 175.56 2nv3 h ASN 80 N 0.40 0.50 0.24 -2.11 4.21 -1.48 -2.02 115.58 115.32 2nv3 h ASN 80 Ca 0.54 -0.18 -0.20 0.00 1.21 0.00 0.00 56.30 57.67 2nv3 h ASN 80 Cb 1.01 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 38.07 2nv3 h ASN 80 CO -0.52 0.77 -0.81 0.74 -1.29 0.00 0.00 177.43 176.32 2nv3 h THR 81 N 0.43 1.38 0.00 2.81 2.02 0.46 -3.11 112.91 116.90 2nv3 h THR 81 Ca 0.06 -2.23 -0.06 0.00 0.77 0.00 0.00 66.41 64.94 2nv3 h THR 81 Cb 0.72 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 2nv3 h THR 81 CO 0.06 0.67 -0.30 0.40 0.37 0.00 0.00 175.52 176.72 2nv3 h ILE 82 N 0.29 0.72 0.00 3.11 2.04 -0.05 -2.66 117.51 120.96 2nv3 h ILE 82 Ca -0.05 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2nv3 h ILE 82 Cb 1.41 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2nv3 h ILE 82 CO 0.14 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.59 2nv3 n ALA 83 N -2.26 2.20 0.09 1.87 0.00 -0.77 -2.49 120.51 119.14 2nv3 n ALA 83 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2nv3 n ALA 83 Cb 0.47 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 2nv3 n ALA 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2nv3 h VAL 84 N 0.00 0.32 0.09 0.00 2.07 -1.43 -3.30 116.25 114.00 2nv3 h VAL 84 Ca 0.00 -1.57 -0.29 0.00 0.82 0.00 0.00 66.70 65.66 2nv3 h VAL 84 Cb 0.69 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2nv3 h VAL 84 CO 0.00 0.18 -1.51 0.25 0.02 0.00 0.00 177.57 176.52 2nv3 h LEU 85 N 0.00 0.31 -1.34 2.57 5.85 -1.52 -3.35 115.31 117.82 2nv3 h LEU 85 Ca -0.07 -0.81 0.11 0.00 0.84 0.00 0.00 57.88 57.96 2nv3 h LEU 85 Cb 1.29 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 2nv3 h LEU 85 CO 0.03 1.64 0.53 0.22 -0.34 0.00 0.00 178.44 180.53 2nv3 h TYR 86 N -0.37 0.77 0.00 1.25 5.03 -1.65 0.21 116.97 122.22 2nv3 h TYR 86 Ca -0.34 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 60.98 2nv3 h TYR 86 Cb 1.72 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 39.75 2nv3 h TYR 86 CO 0.11 0.34 -0.08 0.00 -1.32 0.00 0.00 178.16 177.21 2nv3 h VAL 88 N 0.00 1.36 0.20 0.00 2.07 -0.72 0.45 116.25 119.61 2nv3 h VAL 88 Ca -0.00 -2.43 -0.33 0.00 0.82 0.00 0.00 66.70 64.76 2nv3 h VAL 88 Cb 0.35 2.47 0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2nv3 h VAL 88 CO 0.01 0.73 -1.52 0.45 0.02 0.00 0.00 177.57 177.26 2nv3 h HIS 89 N 0.28 0.78 -0.01 1.57 3.86 -1.26 -3.30 115.15 117.07 2nv3 h HIS 89 Ca -0.11 -0.57 0.00 0.00 -1.16 0.00 0.00 60.37 58.53 2nv3 h HIS 89 Cb 1.67 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.11 2nv3 h HIS 89 CO 0.08 1.53 -0.23 0.94 0.86 0.00 0.00 177.93 181.11 2nv3 n GLN 90 N -3.62 0.81 -3.18 2.45 -0.06 -0.25 -4.95 117.38 108.58 2nv3 n GLN 90 Ca -0.17 -0.45 -0.15 0.00 -2.00 0.00 0.00 57.00 54.23 2nv3 n GLN 90 Cb 1.08 -1.49 0.07 0.00 -4.06 0.00 0.00 30.24 25.84 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 -0.70 -5.48 -3.11 3.69 3.00 -0.06 -4.97 116.66 109.03 2nv3 n ARG 91 Ca 0.13 0.67 -0.43 0.00 -0.00 0.00 0.00 57.85 58.22 2nv3 n ARG 91 Cb 0.33 -5.16 -0.07 0.00 0.00 0.00 0.00 32.46 27.57 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 -3.28 4.84 0.23 5.15 1.01 0.14 -5.01 121.20 124.28 2nv3 s ILE 92 Ca 0.11 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.70 2nv3 s ILE 92 Cb -0.05 -4.18 -0.15 0.00 0.01 0.00 0.00 42.46 38.09 2nv3 s ILE 92 CO 0.58 -0.53 1.00 -0.67 0.00 0.00 0.00 174.94 175.32 2nv3 n ASP 93 N 6.22 0.95 -3.69 3.58 2.03 -1.26 -4.77 116.55 119.61 2nv3 n ASP 93 Ca -0.01 1.16 -0.10 0.00 0.52 0.00 0.00 54.79 56.35 2nv3 n ASP 93 Cb 0.48 -1.21 -0.10 0.00 -0.72 0.00 0.00 41.12 39.57 2nv3 n ASP 93 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2nv3 s VAL 94 N -0.70 -0.02 -0.21 5.18 -7.23 -1.26 -4.74 120.40 111.42 2nv3 s VAL 94 Ca 0.65 0.07 0.22 0.00 -1.81 0.00 0.00 61.98 61.11 2nv3 s VAL 94 Cb -0.80 -0.67 -0.31 0.00 0.56 0.00 0.00 36.38 35.16 2nv3 s VAL 94 CO 0.56 0.03 0.57 0.29 -0.31 0.00 0.00 175.10 176.24 2nv3 n LYS 95 N 4.13 0.54 -3.53 4.82 4.76 -1.26 -4.93 118.16 122.69 2nv3 n LYS 95 Ca -0.22 -0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 54.98 2nv3 n LYS 95 Cb 0.56 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 32.21 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 -4.26 -0.38 0.57 4.39 1.47 -1.26 -4.26 116.67 112.94 2nv3 s ASP 96 Ca -0.05 -0.08 0.36 0.00 1.18 0.00 0.00 52.55 53.96 2nv3 s ASP 96 Cb 0.14 0.46 1.44 0.00 -0.34 0.00 0.00 42.92 44.63 2nv3 s ASP 96 CO 0.90 -0.77 1.67 0.74 0.68 0.00 0.00 175.17 178.39 2nv3 h THR 97 N 2.00 0.23 0.01 2.11 2.02 -1.35 0.19 112.91 118.13 2nv3 h THR 97 Ca -0.25 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2nv3 h THR 97 Cb 1.26 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2nv3 h THR 97 CO 0.31 0.00 -0.01 0.50 0.37 0.00 0.00 175.52 176.70 2nv3 h LYS 98 N 0.00 -0.02 -1.02 6.66 1.63 -1.86 -3.17 116.57 118.79 2nv3 h LYS 98 Ca 0.55 0.00 0.26 0.00 -0.85 0.00 0.00 60.65 60.62 2nv3 h LYS 98 Cb 2.49 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 34.05 2nv3 h LYS 98 CO -0.01 0.76 0.68 0.93 -3.45 0.00 0.00 179.45 178.36 2nv3 h GLU 99 N -0.87 0.32 -0.03 1.90 4.39 -1.01 0.13 114.58 119.40 2nv3 h GLU 99 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2nv3 h GLU 99 Cb 0.79 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2nv3 h GLU 99 CO 0.00 0.21 -0.00 0.00 -1.16 0.00 0.00 179.01 178.06 2nv3 h ALA 100 N 1.59 0.04 0.57 3.43 0.00 -1.49 -1.75 119.26 121.64 2nv3 h ALA 100 Ca 0.56 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2nv3 h ALA 100 Cb 1.55 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.33 2nv3 h ALA 100 CO -0.22 -0.28 -0.27 1.25 0.00 0.00 0.00 179.25 179.72 2nv3 h LEU 101 N -0.26 -0.64 -1.95 0.00 7.12 -1.00 0.36 115.31 118.93 2nv3 h LEU 101 Ca 0.01 -0.04 0.17 0.00 0.13 0.00 0.00 57.88 58.14 2nv3 h LEU 101 Cb 0.34 0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 2nv3 h LEU 101 CO 0.00 -0.29 0.52 0.44 -0.13 0.00 0.00 178.44 178.98 2nv3 h ASP 102 N -1.03 0.00 0.00 1.25 3.32 -0.93 0.32 116.42 119.35 2nv3 h ASP 102 Ca -0.08 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 2nv3 h ASP 102 Cb 0.65 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 2nv3 h ASP 102 CO 0.13 0.00 -0.55 0.50 -1.72 0.00 0.00 179.24 177.59 2nv3 h LYS 103 N 0.00 0.00 -0.03 3.56 3.64 -1.08 -3.22 116.57 119.44 2nv3 h LYS 103 Ca 0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2nv3 h LYS 103 Cb 1.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2nv3 h LYS 103 CO -0.00 0.93 -0.01 0.82 -2.27 0.00 0.00 179.45 178.92 2nv3 h ILE 104 N -1.00 1.03 0.01 2.00 2.04 0.67 -2.05 117.51 120.21 2nv3 h ILE 104 Ca -0.15 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2nv3 h ILE 104 Cb 1.07 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2nv3 h ILE 104 CO -0.09 0.04 -0.00 -0.08 0.00 0.00 0.00 178.15 178.01 2nv3 h GLU 105 N 0.05 -0.01 -1.08 2.37 4.57 -0.54 -2.98 114.58 116.95 2nv3 h GLU 105 Ca 0.01 0.00 0.31 0.00 -1.18 0.00 0.00 59.36 58.50 2nv3 h GLU 105 Cb 0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.52 2nv3 h GLU 105 CO 0.00 -0.01 0.67 1.49 -1.18 0.00 0.00 179.01 179.99 2nv3 h GLU 106 N -0.02 0.33 -0.60 1.92 4.81 -1.56 0.27 114.58 119.74 2nv3 h GLU 106 Ca -0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2nv3 h GLU 106 Cb 0.01 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.25 2nv3 h GLU 106 CO 0.00 0.22 0.24 1.49 -0.73 0.00 0.00 179.01 180.23 2nv3 h GLU 107 N 0.34 0.42 0.00 1.92 4.81 -1.39 -0.15 114.58 120.53 2nv3 h GLU 107 Ca 0.68 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.80 2nv3 h GLU 107 Cb 1.72 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 2nv3 h GLU 107 CO -0.42 0.28 -0.41 0.37 -0.73 0.00 0.00 179.01 178.10 2nv3 h GLN 108 N 0.44 0.00 -0.28 1.92 4.15 -0.32 -2.97 115.11 118.04 2nv3 h GLN 108 Ca 0.30 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.61 2nv3 h GLN 108 Cb 0.34 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2nv3 h GLN 108 CO -0.28 0.41 -0.28 -0.91 -1.93 0.00 0.00 178.83 175.84 2nv3 h ASN 109 N 0.00 0.57 -0.68 -0.69 4.21 -0.47 -2.79 115.58 115.73 2nv3 h ASN 109 Ca -0.00 -0.21 0.17 0.00 1.21 0.00 0.00 56.30 57.47 2nv3 h ASN 109 Cb 0.86 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.87 2nv3 h ASN 109 CO 0.05 0.83 0.47 0.50 -1.29 0.00 0.00 177.43 177.99 2nv3 h LYS 110 N 0.48 0.14 0.00 0.81 3.64 -1.12 0.26 116.57 120.79 2nv3 h LYS 110 Ca 0.06 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2nv3 h LYS 110 Cb 0.73 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2nv3 h LYS 110 CO 0.06 0.09 -0.67 0.77 -2.27 0.00 0.00 179.45 177.43 2nv3 h SER 111 N 0.14 0.00 0.18 4.20 0.02 -1.62 -3.17 113.55 113.31 2nv3 h SER 111 Ca 0.33 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.06 2nv3 h SER 111 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2nv3 h SER 111 CO -0.05 0.67 -0.86 0.11 -1.14 0.00 0.00 176.83 175.56 2nv3 h LYS 112 N 0.00 0.51 -0.27 3.45 6.56 -0.57 -3.12 116.57 123.13 2nv3 h LYS 112 Ca -0.01 -0.49 0.08 0.00 -1.06 0.00 0.00 60.65 59.18 2nv3 h LYS 112 Cb 1.20 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.97 2nv3 h LYS 112 CO 0.09 1.12 0.24 -0.22 -2.06 0.00 0.00 179.45 178.62 2nv3 h LYS 113 N 0.32 0.00 -0.88 3.15 1.63 -1.28 0.19 116.57 119.70 2nv3 h LYS 113 Ca -0.07 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.47 2nv3 h LYS 113 Cb 1.48 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.95 2nv3 h LYS 113 CO 0.16 0.00 0.34 1.63 -3.45 0.00 0.00 179.45 178.13 2nv3 n LYS 114 N -4.10 2.77 -1.48 1.90 5.02 -1.18 -4.15 118.16 116.95 2nv3 n LYS 114 Ca 0.04 -2.46 -0.02 0.00 -2.02 0.00 0.00 58.31 53.85 2nv3 n LYS 114 Cb 0.39 -2.01 0.02 0.00 -0.02 0.00 0.00 35.03 33.41 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 -0.35 0.57 0.00 7.82 0.00 0.58 -5.00 120.51 124.13 2nv3 n ALA 115 Ca 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2nv3 n ALA 115 Cb 1.29 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.41 0.00 -0.13 0.00 1.13 -0.58 -4.84 117.38 112.55 2nv3 n GLN 116 Ca -0.10 0.00 0.23 0.00 -1.94 0.00 0.00 57.00 55.18 2nv3 n GLN 116 Cb 0.58 -0.18 0.65 0.00 0.11 0.00 0.00 30.24 31.40 2nv3 n GLN 116 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2nv3 h GLN 117 N 0.00 0.12 -0.38 -1.09 4.15 -1.81 0.19 115.11 116.29 2nv3 h GLN 117 Ca 0.00 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.47 2nv3 h GLN 117 Cb 0.02 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2nv3 h GLN 117 CO 0.00 0.08 0.26 0.00 -1.93 0.00 0.00 178.83 177.24 2nv3 h ALA 118 N 1.63 1.99 -0.81 3.38 0.00 -1.90 -0.49 119.26 123.07 2nv3 h ALA 118 Ca 0.37 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.91 2nv3 h ALA 118 Cb 1.30 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.81 2nv3 h ALA 118 CO -0.05 -0.07 0.42 0.00 0.00 0.00 0.00 179.25 179.55 2nv3 n ALA 119 N -2.53 5.04 -2.37 0.00 0.00 0.67 -4.29 120.51 117.03 2nv3 n ALA 119 Ca 0.05 -2.76 0.03 0.00 0.00 0.00 0.00 53.44 50.76 2nv3 n ALA 119 Cb 0.25 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.49 2nv3 n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nv3 n ALA 120 N -0.83 2.74 -0.04 0.00 0.00 -0.19 -4.80 120.51 117.39 2nv3 n ALA 120 Ca 0.49 -2.64 -0.03 0.00 0.00 0.00 0.00 53.44 51.26 2nv3 n ALA 120 Cb 1.48 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 20.12 2nv3 n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2nv3 n ASP 121 N -0.00 0.31 -4.50 0.00 2.03 -1.24 -4.89 116.55 108.25 2nv3 n ASP 121 Ca 0.10 0.14 -0.44 0.00 0.52 0.00 0.00 54.79 55.11 2nv3 n ASP 121 Cb 1.01 0.89 -0.07 0.00 -0.72 0.00 0.00 41.12 42.22 2nv3 n ASP 121 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2nv3 n THR 122 N -2.71 0.07 0.00 5.18 -2.24 -1.26 -4.82 114.28 108.50 2nv3 n THR 122 Ca -0.19 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2nv3 n THR 122 Cb 0.94 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2nv3 n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nv3 n GLY 123 N 6.32 1.72 3.28 3.38 0.00 -1.26 -5.18 105.19 113.45 2nv3 n GLY 123 Ca 0.44 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 2.17 1.30 1.61 0.01 -1.26 -5.15 114.94 113.63 2nv3 s ASN 124 Ca 0.00 -0.90 -0.19 0.00 -0.71 0.00 0.00 52.86 51.07 2nv3 s ASN 124 Cb 0.00 -0.08 0.33 0.00 0.41 0.00 0.00 41.25 41.90 2nv3 s ASN 124 CO 0.00 -0.17 0.98 0.21 -1.51 0.00 0.00 177.10 176.62 2nv3 s ASN 125 N -2.78 -0.10 0.27 -1.22 2.47 -1.26 -5.07 114.94 107.25 2nv3 s ASN 125 Ca 0.14 1.06 0.04 0.00 0.42 0.00 0.00 52.86 54.52 2nv3 s ASN 125 Cb -0.03 -1.57 -0.02 0.00 -1.45 0.00 0.00 41.25 38.19 2nv3 s ASN 125 CO 0.04 -4.80 0.15 -1.20 -3.72 0.00 0.00 177.10 167.57 2nv3 n SER 126 N -5.27 0.32 -3.55 -4.21 7.64 -1.26 -5.18 113.62 102.10 2nv3 n SER 126 Ca 0.09 -2.57 -0.12 0.00 1.01 0.00 0.00 58.87 57.28 2nv3 n SER 126 Cb 0.58 0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 64.70 2nv3 n SER 126 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2nv3 s GLN 127 N -3.05 0.75 -0.30 1.43 2.00 -1.26 -5.17 119.66 114.07 2nv3 s GLN 127 Ca 0.22 0.11 -0.18 0.00 -2.00 0.00 0.00 55.36 53.51 2nv3 s GLN 127 Cb 0.01 0.35 0.19 0.00 0.80 0.00 0.00 33.01 34.36 2nv3 s GLN 127 CO 0.15 -0.25 1.20 0.54 -0.50 0.00 0.00 175.29 176.44 2nv3 s VAL 128 N -1.42 0.00 -0.24 1.34 0.11 -1.26 -5.18 120.40 113.75 2nv3 s VAL 128 Ca -0.03 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.75 2nv3 s VAL 128 Cb -0.00 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.97 2nv3 s VAL 128 CO 0.02 0.00 1.05 -0.94 -3.33 0.00 0.00 175.10 171.90 2nv3 s SER 129 N 0.92 -0.40 -0.14 3.54 1.04 -1.26 -5.17 113.70 112.22 2nv3 s SER 129 Ca -0.05 0.66 -0.10 0.00 0.48 0.00 0.00 55.95 56.94 2nv3 s SER 129 Cb -0.03 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.77 2nv3 s SER 129 CO -0.12 -0.21 0.36 0.00 0.98 0.00 0.00 173.24 174.25 2nv3 s GLN 130 N -0.23 0.38 -0.04 4.02 0.00 -1.26 -5.16 119.66 117.36 2nv3 s GLN 130 Ca 0.02 0.59 -0.03 0.00 -0.00 0.00 0.00 55.36 55.94 2nv3 s GLN 130 Cb -0.03 0.08 0.02 0.00 0.00 0.00 0.00 33.01 33.07 2nv3 s GLN 130 CO -0.04 -0.10 0.09 -0.80 0.00 0.00 0.00 175.29 174.44 2nv3 s ASN 131 N 0.73 -0.08 0.00 12.60 0.02 -1.26 -5.40 114.94 121.56 2nv3 s ASN 131 Ca -0.04 0.19 0.21 0.00 -1.02 0.00 0.00 52.86 52.20 2nv3 s ASN 131 Cb -0.06 0.16 1.28 0.00 0.02 0.00 0.00 41.25 42.65 2nv3 s ASN 131 CO -0.05 -0.06 1.66 -1.22 0.02 0.00 0.00 177.10 177.45