#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 3.24 -3.45 4.61 0.00 -1.26 -4.56 120.51 119.09 2nv3 n ALA 3 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 2nv3 n ALA 3 Cb 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 2nv3 n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nv3 n ARG 4 N -0.17 0.94 -1.40 0.00 1.74 -1.26 -5.12 116.66 111.39 2nv3 n ARG 4 Ca 0.11 -3.64 -0.30 0.00 -0.77 0.00 0.00 57.85 53.25 2nv3 n ARG 4 Cb 0.42 -1.76 0.10 0.00 -1.02 0.00 0.00 32.46 30.20 2nv3 n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nv3 s ALA 5 N -0.87 2.15 -0.01 7.54 0.00 -1.26 -4.99 121.76 124.32 2nv3 s ALA 5 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2nv3 s ALA 5 Cb 0.07 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2nv3 s ALA 5 CO -0.15 -1.80 0.66 0.45 0.00 0.00 0.00 175.76 174.92 2nv3 n SER 6 N -3.51 -0.65 0.00 0.00 2.88 -1.26 -5.00 113.62 106.09 2nv3 n SER 6 Ca 0.08 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 2nv3 n SER 6 Cb 0.55 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 2nv3 n SER 6 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2nv3 n VAL 7 N -0.05 0.00 0.00 2.46 0.31 -1.26 -5.08 118.33 114.71 2nv3 n VAL 7 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2nv3 n VAL 7 Cb 0.54 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 -2.65 0.00 -2.45 3.52 0.00 -1.26 -4.97 120.51 112.70 2nv3 n ALA 8 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2nv3 n ALA 8 Cb 0.19 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.78 -4.89 0.00 0.00 2.88 -1.26 -4.63 113.62 103.95 2nv3 n SER 9 Ca 0.00 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 2nv3 n SER 9 Cb 0.00 -3.28 0.00 0.00 -0.75 0.00 0.00 64.21 60.18 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 -1.38 3.92 0.04 0.46 0.00 -1.26 -5.00 105.19 101.97 2nv3 n GLY 10 Ca -0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.03 0.59 -0.02 0.00 -1.97 -3.30 103.07 98.33 2nv3 h GLY 11 Ca 0.00 0.01 0.20 0.00 0.00 0.00 0.00 47.33 47.54 2nv3 h GLY 11 CO 0.00 -0.01 0.51 0.83 0.00 0.00 0.00 176.54 177.87 2nv3 h GLU 12 N -0.67 0.08 -0.08 4.80 5.08 -1.93 -1.49 114.58 120.38 2nv3 h GLU 12 Ca -0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2nv3 h GLU 12 Cb 0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2nv3 h GLU 12 CO 0.01 0.06 -0.15 1.25 -1.00 0.00 0.00 179.01 179.17 2nv3 h LEU 13 N 0.09 -0.44 -0.64 1.33 5.85 -1.97 0.15 115.31 119.68 2nv3 h LEU 13 Ca 0.35 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.22 2nv3 h LEU 13 Cb 1.26 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 2nv3 h LEU 13 CO -0.03 -0.19 0.31 0.44 -0.34 0.00 0.00 178.44 178.62 2nv3 h ASP 14 N -0.20 0.41 -0.44 1.25 5.19 -1.35 -2.02 116.42 119.26 2nv3 h ASP 14 Ca 0.07 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 2nv3 h ASP 14 Cb 0.31 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 2nv3 h ASP 14 CO -0.20 0.25 0.14 0.11 -3.12 0.00 0.00 179.24 176.42 2nv3 h LYS 15 N 0.55 0.67 -0.15 3.56 6.56 -1.35 -1.67 116.57 124.74 2nv3 h LYS 15 Ca 0.31 -0.14 0.05 0.00 -1.06 0.00 0.00 60.65 59.80 2nv3 h LYS 15 Cb 0.29 -0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 31.79 2nv3 h LYS 15 CO -0.24 0.65 -0.35 2.35 -2.06 0.00 0.00 179.45 179.80 2nv3 h TRP 16 N 0.56 -0.98 0.00 -1.35 2.91 -0.01 0.29 115.95 117.37 2nv3 h TRP 16 Ca 0.14 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2nv3 h TRP 16 Cb 0.25 0.45 0.00 0.00 -0.51 0.00 0.00 29.16 29.36 2nv3 h TRP 16 CO 0.01 -0.42 0.00 0.39 -1.03 0.00 0.00 178.44 177.39 2nv3 n GLU 17 N -5.42 0.25 0.09 2.65 1.02 -0.93 -2.67 120.64 115.64 2nv3 n GLU 17 Ca -0.03 0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 57.15 2nv3 n GLU 17 Cb 0.34 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.09 -6.53 3.49 3.64 0.55 -3.39 116.57 114.43 2nv3 h LYS 18 Ca 0.00 -0.11 -0.53 0.00 -1.27 0.00 0.00 60.65 58.74 2nv3 h LYS 18 Cb 0.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2nv3 h LYS 18 CO 0.00 0.92 0.52 0.42 -2.27 0.00 0.00 179.45 179.04 2nv3 s ILE 19 N -3.09 4.04 -0.17 2.00 1.09 -1.02 -4.96 121.20 119.09 2nv3 s ILE 19 Ca -0.01 1.54 -0.21 0.00 -1.10 0.00 0.00 60.65 60.87 2nv3 s ILE 19 Cb 0.10 -3.99 -0.03 0.00 -1.06 0.00 0.00 42.46 37.49 2nv3 s ILE 19 CO 0.82 0.16 0.61 -0.13 -0.10 0.00 0.00 174.94 176.29 2nv3 s ARG 20 N 0.65 4.26 0.45 2.79 0.52 -1.26 -2.01 118.95 124.35 2nv3 s ARG 20 Ca 0.56 0.61 0.22 0.00 -0.52 0.00 0.00 55.73 56.60 2nv3 s ARG 20 Cb -0.29 -3.53 1.21 0.00 0.52 0.00 0.00 34.95 32.86 2nv3 s ARG 20 CO 0.31 -0.12 1.85 -0.07 0.02 0.00 0.00 175.30 177.28 2nv3 h LEU 21 N 7.72 0.29 -8.95 2.53 3.38 -1.75 -1.91 115.31 116.63 2nv3 h LEU 21 Ca -0.35 0.04 -0.50 0.00 0.09 0.00 0.00 57.88 57.16 2nv3 h LEU 21 Cb 1.16 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 2nv3 h LEU 21 CO 0.76 0.10 -0.75 -0.13 0.09 0.00 0.00 178.44 178.51 2nv3 s ARG 22 N -5.30 1.39 0.07 1.13 0.52 -1.26 -4.16 118.95 111.33 2nv3 s ARG 22 Ca -0.07 -1.58 -0.18 0.00 -0.52 0.00 0.00 55.73 53.37 2nv3 s ARG 22 Cb 0.23 -1.31 -0.12 0.00 0.52 0.00 0.00 34.95 34.27 2nv3 s ARG 22 CO 0.78 0.24 1.38 -1.00 0.02 0.00 0.00 175.30 176.72 2nv3 h PRO 23 N 2.66 0.51 -0.82 3.54 0.13 -1.88 -3.30 132.00 132.85 2nv3 h PRO 23 Ca -0.40 -0.27 -0.58 0.00 -0.87 0.00 0.00 66.00 63.89 2nv3 h PRO 23 Cb 1.23 0.01 -0.37 0.00 0.13 0.00 0.00 31.00 32.00 2nv3 h PRO 23 CO 0.59 0.85 -0.20 0.41 -0.23 0.00 0.00 178.00 179.41 2nv3 n GLY 24 N 0.18 6.16 2.28 1.56 0.00 -1.26 -4.96 105.19 109.15 2nv3 n GLY 24 Ca -0.05 -2.48 -0.17 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.80 3.19 0.00 -0.02 0.00 -1.24 -5.06 105.19 101.26 2nv3 n GLY 25 Ca 0.50 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2nv3 n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nv3 n LYS 26 N -1.11 -0.55 -3.48 1.61 5.02 -1.26 -4.95 118.16 113.44 2nv3 n LYS 26 Ca -0.05 -0.43 -0.24 0.00 -2.02 0.00 0.00 58.31 55.56 2nv3 n LYS 26 Cb 0.38 -0.93 -0.02 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 -0.52 0.00 0.00 177.40 177.03 2nv3 s LYS 27 N -0.05 3.49 0.08 1.97 1.02 -1.26 -5.07 119.74 119.93 2nv3 s LYS 27 Ca 0.00 -0.36 0.01 0.00 0.02 0.00 0.00 55.97 55.64 2nv3 s LYS 27 Cb 0.00 -2.71 -0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2nv3 s LYS 27 CO 0.00 0.21 0.03 1.04 -0.92 0.00 0.00 175.35 175.71 2nv3 n GLN 28 N -1.56 0.91 -3.01 1.68 3.00 -1.26 -2.78 117.38 114.36 2nv3 n GLN 28 Ca -0.05 -0.70 -0.34 0.00 -0.01 0.00 0.00 57.00 55.91 2nv3 n GLN 28 Cb 0.56 0.37 -0.06 0.00 0.00 0.00 0.00 30.24 31.10 2nv3 n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2nv3 s TYR 29 N -1.82 3.42 0.18 1.08 2.02 -0.85 -4.53 117.35 116.84 2nv3 s TYR 29 Ca 0.04 1.41 -0.02 0.00 -0.37 0.00 0.00 57.07 58.13 2nv3 s TYR 29 Cb 0.00 -2.68 -0.04 0.00 -0.40 0.00 0.00 41.96 38.85 2nv3 s TYR 29 CO 0.03 0.08 0.13 0.15 -1.57 0.00 0.00 175.55 174.36 2nv3 s LYS 30 N -2.82 1.12 0.34 -0.62 1.02 -1.26 -4.12 119.74 113.39 2nv3 s LYS 30 Ca 0.55 -1.52 0.13 0.00 0.02 0.00 0.00 55.97 55.14 2nv3 s LYS 30 Cb -0.11 0.27 1.00 0.00 -0.52 0.00 0.00 37.83 38.47 2nv3 s LYS 30 CO 0.17 -0.36 1.70 1.25 -0.92 0.00 0.00 175.35 177.20 2nv3 h LEU 31 N 2.69 0.58 -0.90 3.17 5.85 -2.00 0.76 115.31 125.45 2nv3 h LEU 31 Ca -0.35 0.15 0.24 0.00 0.84 0.00 0.00 57.88 58.77 2nv3 h LEU 31 Cb 1.23 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 42.18 2nv3 h LEU 31 CO 0.54 -0.00 0.11 0.11 -0.34 0.00 0.00 178.44 178.86 2nv3 h LYS 32 N 0.45 0.09 -0.55 1.25 1.57 -1.99 0.50 116.57 117.89 2nv3 h LYS 32 Ca 0.68 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 59.36 2nv3 h LYS 32 Cb 1.48 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 2nv3 h LYS 32 CO -0.51 0.06 -0.05 0.45 -0.57 0.00 0.00 179.45 178.83 2nv3 h HIS 33 N 0.10 1.09 0.00 -1.35 3.86 -1.25 -2.65 115.15 114.94 2nv3 h HIS 33 Ca 0.55 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2nv3 h HIS 33 Cb 1.12 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2nv3 h HIS 33 CO -0.39 0.99 0.00 -0.89 0.86 0.00 0.00 177.93 178.50 2nv3 n ILE 34 N -4.17 0.00 -0.30 2.45 5.41 0.16 -2.51 119.36 120.40 2nv3 n ILE 34 Ca 0.02 1.02 0.18 0.00 1.00 0.00 0.00 62.75 64.98 2nv3 n ILE 34 Cb 0.36 -2.00 0.35 0.00 -0.71 0.00 0.00 39.64 37.64 2nv3 n ILE 34 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2nv3 n VAL 35 N -1.93 -0.37 0.15 1.39 0.31 -0.18 0.63 118.33 118.32 2nv3 n VAL 35 Ca 0.00 1.89 -0.14 0.00 -0.01 0.00 0.00 64.34 66.08 2nv3 n VAL 35 Cb 0.00 -2.86 -0.07 0.00 -0.91 0.00 0.00 33.84 30.01 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 0.00 -0.49 0.01 3.52 7.01 -1.53 -1.91 115.95 122.55 2nv3 h TRP 36 Ca 0.61 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.61 2nv3 h TRP 36 Cb 1.40 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 28.65 2nv3 h TRP 36 CO -0.30 -0.28 -0.00 0.00 -2.79 0.00 0.00 178.44 175.06 2nv3 h ALA 37 N 0.32 -0.01 -1.05 2.65 0.00 0.49 -2.01 119.26 119.65 2nv3 h ALA 37 Ca -0.01 -0.12 0.29 0.00 0.00 0.00 0.00 54.91 55.08 2nv3 h ALA 37 Cb 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 2nv3 h ALA 37 CO -0.03 -0.39 0.64 1.03 0.00 0.00 0.00 179.25 180.50 2nv3 h SER 38 N -0.24 0.52 -0.00 0.00 0.87 -0.40 -0.03 113.55 114.28 2nv3 h SER 38 Ca -0.00 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2nv3 h SER 38 Cb 0.24 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2nv3 h SER 38 CO 0.00 0.00 -0.00 -0.09 -0.53 0.00 0.00 176.83 176.21 2nv3 h ARG 39 N 0.40 0.00 -0.47 2.24 2.43 -1.15 -3.16 114.38 114.68 2nv3 h ARG 39 Ca 0.68 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.94 2nv3 h ARG 39 Cb 1.58 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 31.03 2nv3 h ARG 39 CO -0.46 0.69 -0.26 1.49 -1.51 0.00 0.00 179.97 179.93 2nv3 h GLU 40 N -0.68 -0.15 -0.73 0.20 4.57 -0.30 -0.14 114.58 117.34 2nv3 h GLU 40 Ca -0.00 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.32 2nv3 h GLU 40 Cb 0.70 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.23 2nv3 h GLU 40 CO 0.00 -0.10 0.30 -0.07 -1.18 0.00 0.00 179.01 177.96 2nv3 h LEU 41 N -0.15 0.29 -1.98 1.64 3.38 -1.31 0.29 115.31 117.47 2nv3 h LEU 41 Ca 0.21 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.43 2nv3 h LEU 41 Cb 0.49 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2nv3 h LEU 41 CO -0.56 0.12 0.46 -0.08 0.09 0.00 0.00 178.44 178.47 2nv3 h GLU 42 N 0.45 0.00 0.00 1.13 4.22 -0.59 0.32 114.58 120.11 2nv3 h GLU 42 Ca 0.40 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.68 2nv3 h GLU 42 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2nv3 h GLU 42 CO -0.38 0.00 -1.58 -2.13 -2.18 0.00 0.00 179.01 172.74 2nv3 n ARG 43 N -3.86 0.63 -0.26 1.92 3.00 0.89 -4.03 116.66 114.95 2nv3 n ARG 43 Ca 0.09 0.13 -0.02 0.00 -0.00 0.00 0.00 57.85 58.05 2nv3 n ARG 43 Cb 0.66 -1.74 0.07 0.00 0.00 0.00 0.00 32.46 31.46 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 -2.77 0.64 -1.71 -0.14 3.72 0.95 -4.80 117.46 113.35 2nv3 n PHE 44 Ca -0.11 -0.53 -0.20 0.00 -0.05 0.00 0.00 57.45 56.56 2nv3 n PHE 44 Cb 0.82 -0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.35 -4.05 4.37 0.00 -1.13 -4.96 120.51 114.52 2nv3 n ALA 45 Ca 0.11 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 2nv3 n ALA 45 Cb 0.65 -2.04 -0.16 0.00 0.00 0.00 0.00 19.45 17.90 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 1.76 0.43 0.00 1.01 -0.26 -5.04 120.40 115.50 2nv3 s VAL 46 Ca 0.00 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 2nv3 s VAL 46 Cb 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2nv3 s VAL 46 CO 0.00 0.41 1.46 0.20 0.00 0.00 0.00 175.10 177.17 2nv3 s ASN 47 N 1.40 6.01 0.00 3.32 0.01 -1.26 -2.29 114.94 122.12 2nv3 s ASN 47 Ca 0.03 3.00 0.15 0.00 -0.71 0.00 0.00 52.86 55.33 2nv3 s ASN 47 Cb -0.14 -2.66 0.72 0.00 0.41 0.00 0.00 41.25 39.58 2nv3 s ASN 47 CO -0.11 -1.09 1.42 -0.81 -1.51 0.00 0.00 177.10 175.00 2nv3 n PRO 48 N 0.03 0.16 0.00 -0.60 -0.04 -1.26 -2.69 135.00 130.60 2nv3 n PRO 48 Ca 0.04 0.17 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 2nv3 n PRO 48 Cb 0.41 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.93 1.01 0.55 0.00 -1.26 -3.14 105.19 101.40 2nv3 n GLY 49 Ca 0.06 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.83 2.93 -0.00 0.99 4.77 -1.09 -3.71 117.00 120.05 2nv3 n LEU 50 Ca 0.15 -1.47 0.03 0.00 -0.03 0.00 0.00 56.01 54.69 2nv3 n LEU 50 Cb 0.07 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2nv3 n LEU 50 CO 0.11 0.58 -0.13 0.18 -1.33 0.00 0.00 177.39 176.80 2nv3 n LEU 51 N 0.72 0.26 0.01 2.23 4.77 -1.19 -0.71 117.00 123.08 2nv3 n LEU 51 Ca 0.16 -0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 55.56 2nv3 n LEU 51 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2nv3 n LEU 51 CO 0.14 0.06 0.21 1.05 -1.33 0.00 0.00 177.39 177.52 2nv3 h GLU 52 N 0.00 0.61 -5.29 3.23 4.11 -1.79 -3.44 114.58 112.02 2nv3 h GLU 52 Ca 0.00 -0.60 -0.62 0.00 0.07 0.00 0.00 59.36 58.21 2nv3 h GLU 52 Cb 0.19 0.16 -0.18 0.00 0.50 0.00 0.00 28.75 29.42 2nv3 h GLU 52 CO 0.00 1.21 -0.59 0.95 0.07 0.00 0.00 179.01 180.65 2nv3 s THR 53 N -3.42 4.52 0.38 -1.06 -4.23 -1.26 -4.97 115.64 105.60 2nv3 s THR 53 Ca -0.11 -0.13 0.20 0.00 -1.18 0.00 0.00 61.69 60.46 2nv3 s THR 53 Cb 0.06 -3.02 0.39 0.00 1.34 0.00 0.00 72.50 71.27 2nv3 s THR 53 CO 0.88 0.47 1.68 0.77 -0.54 0.00 0.00 174.62 177.88 2nv3 h SER 54 N 6.68 0.43 -0.74 3.99 4.64 -1.90 0.54 113.55 127.19 2nv3 h SER 54 Ca -0.35 0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 2nv3 h SER 54 Cb 1.17 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 2nv3 h SER 54 CO 0.68 -0.08 0.48 -0.08 -0.87 0.00 0.00 176.83 176.96 2nv3 h GLU 55 N 0.29 0.92 -0.53 4.77 4.81 -1.94 -2.61 114.58 120.29 2nv3 h GLU 55 Ca 0.72 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.95 2nv3 h GLU 55 Cb 1.86 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.98 2nv3 h GLU 55 CO -0.47 0.61 0.25 0.78 -0.73 0.00 0.00 179.01 179.45 2nv3 h GLY 56 N 0.95 0.75 0.81 1.92 0.00 -0.07 -2.24 103.07 105.19 2nv3 h GLY 56 Ca 0.29 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.49 2nv3 h GLY 56 CO -0.09 0.08 0.42 0.00 0.00 0.00 0.00 176.54 176.95 2nv3 h ARG 58 N 0.80 0.16 0.00 0.00 3.08 -1.14 0.35 114.38 117.63 2nv3 h ARG 58 Ca 0.29 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 2nv3 h ARG 58 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2nv3 h ARG 58 CO -0.13 0.11 -0.26 1.96 -1.07 0.00 0.00 179.97 180.58 2nv3 h GLN 59 N 0.17 0.00 0.15 0.04 1.08 -1.31 -1.97 115.11 113.28 2nv3 h GLN 59 Ca 0.33 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 2nv3 h GLN 59 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 2nv3 h GLN 59 CO -0.50 0.26 -0.07 0.82 -0.95 0.00 0.00 178.83 178.39 2nv3 h ILE 60 N 0.00 0.86 -0.23 2.54 2.04 -0.03 -2.53 117.51 120.17 2nv3 h ILE 60 Ca -0.00 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.73 2nv3 h ILE 60 Cb 0.51 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2nv3 h ILE 60 CO 0.03 0.23 0.02 -0.07 0.00 0.00 0.00 178.15 178.36 2nv3 h LEU 61 N -0.86 -0.05 -1.64 1.44 3.38 -0.76 -1.07 115.31 115.75 2nv3 h LEU 61 Ca -0.02 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2nv3 h LEU 61 Cb 0.53 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2nv3 h LEU 61 CO 0.03 0.00 0.27 1.23 0.09 0.00 0.00 178.44 180.07 2nv3 h GLY 62 N 0.10 0.53 0.72 0.83 0.00 -1.46 0.56 103.07 104.33 2nv3 h GLY 62 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2nv3 h GLY 62 CO -0.17 0.18 -0.13 1.46 0.00 0.00 0.00 176.54 177.88 2nv3 h GLN 63 N 0.49 0.32 0.00 4.80 7.50 -0.88 -3.07 115.11 124.27 2nv3 h GLN 63 Ca 0.16 -0.17 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2nv3 h GLN 63 Cb 0.03 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.56 2nv3 h GLN 63 CO -0.04 0.71 0.00 1.28 -1.50 0.00 0.00 178.83 179.29 2nv3 n LEU 64 N -4.59 0.55 0.20 1.46 4.77 -0.49 -3.95 117.00 114.95 2nv3 n LEU 64 Ca -0.06 0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 2nv3 n LEU 64 Cb 0.35 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 2nv3 n LEU 64 CO 0.39 -0.14 0.52 1.56 -1.33 0.00 0.00 177.39 178.39 2nv3 h GLN 65 N 0.00 -0.83 0.00 3.23 1.08 0.22 0.29 115.11 119.10 2nv3 h GLN 65 Ca 0.00 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2nv3 h GLN 65 Cb 0.65 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2nv3 h GLN 65 CO 0.00 -0.55 0.00 -0.35 -0.95 0.00 0.00 178.83 176.98 2nv3 n PRO 66 N -5.40 0.43 -0.00 1.46 -0.04 -1.25 -1.87 135.00 128.33 2nv3 n PRO 66 Ca -0.10 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 2nv3 n PRO 66 Cb 0.42 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.06 0.69 0.25 3.54 7.64 -0.29 -4.46 113.62 119.93 2nv3 n SER 67 Ca 0.11 -0.71 0.14 0.00 1.01 0.00 0.00 58.87 59.42 2nv3 n SER 67 Cb 0.07 1.04 0.76 0.00 -1.01 0.00 0.00 64.21 65.08 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 0.04 -3.43 3.38 0.25 0.85 115.31 116.40 2nv3 h LEU 68 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2nv3 h LEU 68 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2nv3 h LEU 68 CO 0.00 0.00 -1.88 1.67 0.09 0.00 0.00 178.44 178.32 2nv3 n GLN 69 N -2.59 0.64 -0.03 1.13 -0.06 -1.26 -4.60 117.38 110.61 2nv3 n GLN 69 Ca -0.02 0.37 -0.10 0.00 -2.00 0.00 0.00 57.00 55.25 2nv3 n GLN 69 Cb 0.20 -1.66 -0.09 0.00 -4.06 0.00 0.00 30.24 24.63 2nv3 n GLN 69 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2nv3 h THR 70 N -0.57 1.16 -3.08 1.69 1.35 -1.57 -3.46 112.91 108.42 2nv3 h THR 70 Ca -0.47 -1.65 -0.51 0.00 -0.55 0.00 0.00 66.41 63.23 2nv3 h THR 70 Cb 1.65 2.10 0.22 0.00 -1.73 0.00 0.00 68.15 70.39 2nv3 h THR 70 CO -0.15 0.36 -0.72 0.61 -0.25 0.00 0.00 175.52 175.36 2nv3 n GLY 71 N 1.25 -2.16 0.00 5.82 0.00 0.29 -5.01 105.19 105.37 2nv3 n GLY 71 Ca -0.07 -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 -1.46 0.00 0.28 1.61 3.41 -1.26 -4.87 113.62 111.32 2nv3 n SER 72 Ca 0.05 -0.41 0.18 0.00 -0.26 0.00 0.00 58.87 58.43 2nv3 n SER 72 Cb 0.56 0.00 0.85 0.00 -0.26 0.00 0.00 64.21 65.36 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 -0.63 4.33 4.57 -1.96 -2.63 114.58 118.26 2nv3 h GLU 73 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2nv3 h GLU 73 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2nv3 h GLU 73 CO 0.00 0.00 0.14 0.93 -1.18 0.00 0.00 179.01 178.90 2nv3 h GLU 74 N 0.00 1.02 -0.01 1.92 5.08 -2.00 -2.03 114.58 118.56 2nv3 h GLU 74 Ca 0.00 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2nv3 h GLU 74 Cb 0.27 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2nv3 h GLU 74 CO 0.00 0.93 -0.46 1.25 -1.00 0.00 0.00 179.01 179.73 2nv3 h LEU 75 N 0.94 0.02 -0.71 1.33 5.85 -1.80 -2.61 115.31 118.33 2nv3 h LEU 75 Ca 0.20 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2nv3 h LEU 75 Cb 0.38 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2nv3 h LEU 75 CO 0.00 0.48 -0.41 0.03 -0.34 0.00 0.00 178.44 178.20 2nv3 h ARG 76 N 0.02 0.00 0.04 1.25 3.08 -1.49 -2.94 114.38 114.33 2nv3 h ARG 76 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 2nv3 h ARG 76 Cb 0.82 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.89 2nv3 h ARG 76 CO 0.06 0.41 -0.84 0.77 -1.07 0.00 0.00 179.97 179.30 2nv3 h SER 77 N 0.00 0.67 0.27 7.04 0.02 -1.02 -3.21 113.55 117.32 2nv3 h SER 77 Ca -0.00 -0.79 -0.01 0.00 -0.84 0.00 0.00 61.79 60.14 2nv3 h SER 77 Cb 1.02 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2nv3 h SER 77 CO 0.05 1.38 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.93 2nv3 h LEU 78 N 0.03 -0.31 -0.88 5.07 -0.00 -1.49 -1.71 115.31 116.02 2nv3 h LEU 78 Ca -0.12 -0.02 0.22 0.00 -0.00 0.00 0.00 57.88 57.96 2nv3 h LEU 78 Cb 1.55 0.08 -0.12 0.00 -0.00 0.00 0.00 40.66 42.17 2nv3 h LEU 78 CO 0.16 -0.19 0.37 0.22 -0.00 0.00 0.00 178.44 179.00 2nv3 h TYR 79 N -0.41 0.61 -0.29 1.13 5.03 -1.64 0.52 116.97 121.91 2nv3 h TYR 79 Ca -0.04 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 2nv3 h TYR 79 Cb 0.31 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 2nv3 h TYR 79 CO -0.05 -0.06 -0.28 -0.91 -1.32 0.00 0.00 178.16 175.55 2nv3 h ASN 80 N 0.38 0.61 0.23 -2.11 -0.26 -1.49 -1.68 115.58 111.26 2nv3 h ASN 80 Ca 0.55 -0.22 -0.18 0.00 -0.56 0.00 0.00 56.30 55.88 2nv3 h ASN 80 Cb 1.03 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.12 2nv3 h ASN 80 CO -0.53 0.86 -0.70 0.74 -1.06 0.00 0.00 177.43 176.74 2nv3 h THR 81 N 0.52 1.37 0.00 2.81 2.02 0.59 -3.09 112.91 117.12 2nv3 h THR 81 Ca 0.07 -2.08 -0.10 0.00 0.77 0.00 0.00 66.41 65.06 2nv3 h THR 81 Cb 0.74 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2nv3 h THR 81 CO 0.06 0.63 -0.49 0.40 0.37 0.00 0.00 175.52 176.49 2nv3 h ILE 82 N 0.29 1.06 0.00 3.11 2.04 -0.04 -2.86 117.51 121.11 2nv3 h ILE 82 Ca -0.02 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.95 2nv3 h ILE 82 Cb 1.27 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 2nv3 h ILE 82 CO 0.12 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.75 2nv3 h ALA 83 N 1.51 1.00 0.00 1.87 0.00 -1.23 -2.45 119.26 119.96 2nv3 h ALA 83 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2nv3 h ALA 83 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2nv3 h ALA 83 CO 0.06 0.00 -1.03 0.28 0.00 0.00 0.00 179.25 178.56 2nv3 h VAL 84 N 0.00 0.05 0.04 0.00 2.07 -1.47 -3.31 116.25 113.63 2nv3 h VAL 84 Ca 0.00 -1.09 -0.25 0.00 0.82 0.00 0.00 66.70 66.17 2nv3 h VAL 84 Cb 0.55 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2nv3 h VAL 84 CO 0.00 0.03 -1.36 0.25 0.02 0.00 0.00 177.57 176.50 2nv3 h LEU 85 N 0.00 0.14 -1.27 2.57 5.85 -1.50 -3.36 115.31 117.74 2nv3 h LEU 85 Ca -0.02 -0.68 0.13 0.00 0.84 0.00 0.00 57.88 58.15 2nv3 h LEU 85 Cb 1.05 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 2nv3 h LEU 85 CO 0.00 1.56 0.57 0.22 -0.34 0.00 0.00 178.44 180.45 2nv3 h TYR 86 N -0.67 0.84 0.00 1.25 5.03 -1.63 0.19 116.97 121.98 2nv3 h TYR 86 Ca -0.34 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 60.99 2nv3 h TYR 86 Cb 1.51 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 39.52 2nv3 h TYR 86 CO 0.11 0.34 -0.05 0.00 -1.32 0.00 0.00 178.16 177.24 2nv3 h VAL 88 N 0.00 1.35 0.10 0.00 2.07 -0.77 0.52 116.25 119.53 2nv3 h VAL 88 Ca -0.00 -2.24 -0.18 0.00 0.82 0.00 0.00 66.70 65.10 2nv3 h VAL 88 Cb 0.11 2.24 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2nv3 h VAL 88 CO 0.01 0.68 -0.86 0.45 0.02 0.00 0.00 177.57 177.87 2nv3 h HIS 89 N 0.33 0.40 -0.00 1.57 3.86 -1.20 -3.31 115.15 116.80 2nv3 h HIS 89 Ca -0.07 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2nv3 h HIS 89 Cb 1.49 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.94 2nv3 h HIS 89 CO 0.07 1.33 -0.06 0.94 0.86 0.00 0.00 177.93 181.07 2nv3 n GLN 90 N -4.17 0.29 -2.95 2.45 -0.06 0.24 -4.93 117.38 108.25 2nv3 n GLN 90 Ca -0.17 -0.04 -0.11 0.00 -2.00 0.00 0.00 57.00 54.68 2nv3 n GLN 90 Cb 0.78 -1.50 0.06 0.00 -4.06 0.00 0.00 30.24 25.52 2nv3 n GLN 90 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2nv3 n ARG 91 N -1.32 -4.41 -3.12 3.69 1.74 -0.04 -4.98 116.66 108.22 2nv3 n ARG 91 Ca 0.11 0.56 -0.43 0.00 -0.77 0.00 0.00 57.85 57.32 2nv3 n ARG 91 Cb 0.29 -4.74 -0.06 0.00 -1.02 0.00 0.00 32.46 26.93 2nv3 n ARG 91 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2nv3 s ILE 92 N -3.24 4.82 0.06 0.55 1.01 0.16 -5.01 121.20 119.56 2nv3 s ILE 92 Ca 0.00 -0.33 -0.37 0.00 0.00 0.00 0.00 60.65 59.96 2nv3 s ILE 92 Cb -0.00 -4.30 -0.16 0.00 0.01 0.00 0.00 42.46 38.00 2nv3 s ILE 92 CO 0.48 -0.80 1.39 -0.67 0.00 0.00 0.00 174.94 175.34 2nv3 n ASP 93 N 6.31 1.77 -3.71 3.58 -0.08 -1.26 -4.78 116.55 118.38 2nv3 n ASP 93 Ca -0.05 1.11 -0.12 0.00 -1.51 0.00 0.00 54.79 54.22 2nv3 n ASP 93 Cb 0.46 -1.20 -0.13 0.00 2.34 0.00 0.00 41.12 42.60 2nv3 n ASP 93 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2nv3 s VAL 94 N 0.78 -0.10 -0.78 5.18 -7.23 -1.26 -4.80 120.40 112.19 2nv3 s VAL 94 Ca 0.85 0.16 0.24 0.00 -1.81 0.00 0.00 61.98 61.42 2nv3 s VAL 94 Cb -0.95 -0.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.50 2nv3 s VAL 94 CO 0.48 0.06 1.21 2.29 -0.31 0.00 0.00 175.10 178.84 2nv3 n LYS 95 N 4.42 0.17 -3.68 4.82 2.85 -1.26 -4.87 118.16 120.61 2nv3 n LYS 95 Ca -0.22 0.02 -0.02 0.00 -1.05 0.00 0.00 58.31 57.04 2nv3 n LYS 95 Cb 0.53 -1.58 -0.01 0.00 -0.65 0.00 0.00 35.03 33.32 2nv3 n LYS 95 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2nv3 s ASP 96 N -3.61 -0.14 0.39 -5.58 1.47 -1.26 -4.29 116.67 103.65 2nv3 s ASP 96 Ca 0.07 -0.25 0.19 0.00 1.18 0.00 0.00 52.55 53.73 2nv3 s ASP 96 Cb 0.15 0.33 1.01 0.00 -0.34 0.00 0.00 42.92 44.08 2nv3 s ASP 96 CO 0.75 -0.61 1.51 0.74 0.68 0.00 0.00 175.17 178.24 2nv3 h THR 97 N 2.00 0.00 0.00 2.11 2.02 -1.50 -1.78 112.91 115.76 2nv3 h THR 97 Ca -0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2nv3 h THR 97 Cb 1.22 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2nv3 h THR 97 CO 0.27 0.00 -0.09 0.50 0.37 0.00 0.00 175.52 176.57 2nv3 h LYS 98 N 0.00 0.00 -0.76 6.66 3.64 -1.86 -3.28 116.57 120.97 2nv3 h LYS 98 Ca 0.00 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 2nv3 h LYS 98 Cb 0.48 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2nv3 h LYS 98 CO 0.00 0.30 0.64 1.49 -2.27 0.00 0.00 179.45 179.61 2nv3 h GLU 99 N -1.00 0.00 -0.16 1.90 4.22 -1.71 0.95 114.58 118.77 2nv3 h GLU 99 Ca -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 2nv3 h GLU 99 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2nv3 h GLU 99 CO -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 179.01 176.81 2nv3 h ALA 100 N 1.43 0.22 0.00 2.92 0.00 -1.60 -1.42 119.26 120.81 2nv3 h ALA 100 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2nv3 h ALA 100 Cb 1.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2nv3 h ALA 100 CO -0.00 -0.06 0.00 -0.11 0.00 0.00 0.00 179.25 179.08 2nv3 n LEU 101 N -4.72 0.00 -0.55 0.00 -0.00 0.21 -1.71 117.00 110.24 2nv3 n LEU 101 Ca -0.05 0.40 0.10 0.00 -0.00 0.00 0.00 56.01 56.46 2nv3 n LEU 101 Cb 0.23 -0.40 0.02 0.00 -0.00 0.00 0.00 43.42 43.27 2nv3 n LEU 101 CO 0.37 -0.05 0.36 -0.67 -0.00 0.00 0.00 177.39 177.39 2nv3 n ASP 102 N -1.40 2.11 -0.05 1.96 2.03 -0.52 -4.14 116.55 116.54 2nv3 n ASP 102 Ca 0.09 -1.55 -0.10 0.00 0.52 0.00 0.00 54.79 53.75 2nv3 n ASP 102 Cb 0.26 0.37 -0.04 0.00 -0.72 0.00 0.00 41.12 40.99 2nv3 n ASP 102 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2nv3 n LYS 103 N 0.23 0.21 0.22 -0.67 0.00 -0.56 -4.41 118.16 113.19 2nv3 n LYS 103 Ca 0.09 0.09 0.12 0.00 0.00 0.00 0.00 58.31 58.61 2nv3 n LYS 103 Cb 0.45 -0.89 0.71 0.00 0.00 0.00 0.00 35.03 35.31 2nv3 n LYS 103 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2nv3 h ILE 104 N -0.31 0.83 0.00 3.15 2.04 -1.57 0.08 117.51 121.73 2nv3 h ILE 104 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2nv3 h ILE 104 Cb 1.23 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2nv3 h ILE 104 CO -0.14 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.22 2nv3 n GLU 105 N -4.33 0.00 -0.34 2.37 2.13 -1.26 -2.16 120.64 117.05 2nv3 n GLU 105 Ca -0.01 0.43 0.15 0.00 0.66 0.00 0.00 57.16 58.39 2nv3 n GLU 105 Cb 0.18 -1.15 0.37 0.00 0.27 0.00 0.00 31.44 31.11 2nv3 n GLU 105 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2nv3 h GLU 106 N 0.00 0.65 -0.79 5.31 5.08 -1.76 0.27 114.58 123.34 2nv3 h GLU 106 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2nv3 h GLU 106 Cb 0.00 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2nv3 h GLU 106 CO 0.00 0.43 0.48 1.49 -1.00 0.00 0.00 179.01 180.41 2nv3 h GLU 107 N 0.67 1.07 0.00 2.33 4.81 -1.08 0.21 114.58 122.58 2nv3 h GLU 107 Ca 0.59 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.60 2nv3 h GLU 107 Cb 1.05 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2nv3 h GLU 107 CO -0.38 0.74 -0.64 1.96 -0.73 0.00 0.00 179.01 179.97 2nv3 h GLN 108 N 1.09 0.00 0.08 1.92 4.20 -0.09 -3.17 115.11 119.14 2nv3 h GLN 108 Ca 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 2nv3 h GLN 108 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2nv3 h GLN 108 CO -0.05 0.61 -0.04 -0.97 -0.67 0.00 0.00 178.83 177.70 2nv3 h ASN 109 N 0.00 -0.09 -0.85 1.46 -0.73 -0.05 -3.29 115.58 112.02 2nv3 h ASN 109 Ca -0.01 -0.43 0.19 0.00 1.87 0.00 0.00 56.30 57.92 2nv3 h ASN 109 Cb 1.48 0.02 -0.06 0.00 0.27 0.00 0.00 38.32 40.03 2nv3 h ASN 109 CO 0.08 0.56 0.57 0.50 -0.37 0.00 0.00 177.43 178.77 2nv3 h LYS 110 N -0.94 0.36 -0.60 6.67 1.63 -0.76 0.18 116.57 123.10 2nv3 h LYS 110 Ca -0.01 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.81 2nv3 h LYS 110 Cb 0.52 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 2nv3 h LYS 110 CO 0.02 0.24 0.40 0.77 -3.45 0.00 0.00 179.45 177.42 2nv3 h SER 111 N 0.37 0.59 0.39 4.20 0.02 -1.62 0.23 113.55 117.72 2nv3 h SER 111 Ca 0.43 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 61.06 2nv3 h SER 111 Cb 1.11 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2nv3 h SER 111 CO -0.14 0.40 -1.63 0.11 -1.14 0.00 0.00 176.83 174.43 2nv3 h LYS 112 N 0.68 0.24 0.00 3.45 1.57 -0.80 -2.05 116.57 119.66 2nv3 h LYS 112 Ca 0.25 -0.41 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 2nv3 h LYS 112 Cb 0.13 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2nv3 h LYS 112 CO -0.07 1.08 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.36 2nv3 h LYS 113 N 0.07 0.00 0.00 3.15 3.64 -0.64 -3.36 116.57 119.42 2nv3 h LYS 113 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2nv3 h LYS 113 Cb 2.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 2nv3 h LYS 113 CO 0.15 0.31 0.00 1.63 -2.27 0.00 0.00 179.45 179.27 2nv3 n LYS 114 N -3.80 0.00 -2.28 1.90 5.02 0.75 -4.97 118.16 114.77 2nv3 n LYS 114 Ca -0.01 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 2nv3 n LYS 114 Cb 0.40 -0.51 -0.02 0.00 -0.02 0.00 0.00 35.03 34.88 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 -2.14 -0.57 0.20 7.82 0.00 -0.77 -4.86 120.51 120.19 2nv3 n ALA 115 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.69 2nv3 n ALA 115 Cb 0.00 -2.16 0.53 0.00 0.00 0.00 0.00 19.45 17.82 2nv3 n ALA 115 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2nv3 h GLN 116 N 0.00 0.10 -0.04 0.00 4.20 -1.90 -1.52 115.11 115.95 2nv3 h GLN 116 Ca -0.48 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.05 2nv3 h GLN 116 Cb 1.36 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 2nv3 h GLN 116 CO 0.58 0.17 -0.70 1.96 -0.67 0.00 0.00 178.83 180.17 2nv3 h GLN 117 N 0.10 0.19 -0.74 1.46 4.20 -1.95 -3.09 115.11 115.28 2nv3 h GLN 117 Ca 0.02 -0.16 -0.29 0.00 0.06 0.00 0.00 58.65 58.28 2nv3 h GLN 117 Cb 0.17 0.03 -0.17 0.00 0.30 0.00 0.00 27.48 27.81 2nv3 h GLN 117 CO 0.01 0.81 0.32 0.00 -0.67 0.00 0.00 178.83 179.31 2nv3 n ALA 118 N -2.46 4.76 -2.70 3.87 0.00 -0.72 -4.40 120.51 118.85 2nv3 n ALA 118 Ca -0.03 -2.62 -0.06 0.00 0.00 0.00 0.00 53.44 50.73 2nv3 n ALA 118 Cb 0.68 -1.20 0.09 0.00 0.00 0.00 0.00 19.45 19.02 2nv3 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nv3 n ALA 119 N -0.61 2.34 0.00 0.00 0.00 -0.65 -4.91 120.51 116.68 2nv3 n ALA 119 Ca 0.44 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.94 2nv3 n ALA 119 Cb 1.40 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.63 1.67 0.07 0.00 0.00 -1.24 -4.89 120.51 115.50 2nv3 n ALA 120 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2nv3 n ALA 120 Cb 0.84 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.35 2nv3 n ALA 120 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2nv3 h ASP 121 N 0.00 0.33 -1.69 0.00 5.19 -1.88 -3.45 116.42 114.91 2nv3 h ASP 121 Ca 0.00 -0.21 -0.43 0.00 -0.62 0.00 0.00 57.03 55.76 2nv3 h ASP 121 Cb 0.00 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 39.42 2nv3 h ASP 121 CO 0.00 0.93 -0.32 0.42 -3.12 0.00 0.00 179.24 177.15 2nv3 s THR 122 N -3.57 3.74 0.00 0.35 -4.23 -1.26 -5.10 115.64 105.58 2nv3 s THR 122 Ca -0.04 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 2nv3 s THR 122 Cb 0.11 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.67 2nv3 s THR 122 CO 0.82 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 2nv3 n GLY 123 N -1.70 4.05 3.01 3.99 0.00 -1.26 -4.92 105.19 108.37 2nv3 n GLY 123 Ca 0.02 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 2nv3 n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nv3 s ASN 124 N 0.00 0.79 -0.00 1.61 2.20 -1.26 -5.11 114.94 113.17 2nv3 s ASN 124 Ca 0.00 -0.29 -0.30 0.00 -0.94 0.00 0.00 52.86 51.34 2nv3 s ASN 124 Cb 0.00 -0.04 -0.08 0.00 -2.00 0.00 0.00 41.25 39.14 2nv3 s ASN 124 CO 0.00 -0.03 1.86 0.21 -2.94 0.00 0.00 177.10 176.20 2nv3 s ASN 125 N -0.72 6.50 0.66 3.54 2.47 -1.26 -4.98 114.94 121.15 2nv3 s ASN 125 Ca -0.02 2.49 -0.06 0.00 0.42 0.00 0.00 52.86 55.69 2nv3 s ASN 125 Cb -0.05 -2.53 0.04 0.00 -1.45 0.00 0.00 41.25 37.26 2nv3 s ASN 125 CO 0.00 -1.03 0.96 -0.94 -3.72 0.00 0.00 177.10 172.37 2nv3 s SER 126 N 4.14 5.08 -0.37 -4.21 1.04 -1.26 -5.03 113.70 113.09 2nv3 s SER 126 Ca 0.83 0.49 0.07 0.00 0.48 0.00 0.00 55.95 57.83 2nv3 s SER 126 Cb -0.39 -1.26 0.44 0.00 0.10 0.00 0.00 66.02 64.91 2nv3 s SER 126 CO 0.37 -1.41 1.14 1.67 0.98 0.00 0.00 173.24 175.99 2nv3 n GLN 127 N -2.78 3.36 -4.19 4.02 7.27 -1.26 -5.02 117.38 118.79 2nv3 n GLN 127 Ca 0.07 -4.29 -0.18 0.00 0.07 0.00 0.00 57.00 52.67 2nv3 n GLN 127 Cb 0.60 -2.20 -0.15 0.00 2.41 0.00 0.00 30.24 30.89 2nv3 n GLN 127 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2nv3 s VAL 128 N -5.00 0.50 -0.26 1.69 0.11 -1.26 -5.13 120.40 111.05 2nv3 s VAL 128 Ca 0.48 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 59.23 2nv3 s VAL 128 Cb 0.40 -0.48 0.10 0.00 -1.53 0.00 0.00 36.38 34.87 2nv3 s VAL 128 CO -0.08 0.18 0.58 -0.44 -3.33 0.00 0.00 175.10 172.01 2nv3 s SER 129 N 0.38 -0.83 -0.96 3.54 0.01 -1.26 -5.10 113.70 109.48 2nv3 s SER 129 Ca -0.05 1.35 -0.17 0.00 1.31 0.00 0.00 55.95 58.40 2nv3 s SER 129 Cb -0.09 1.65 0.16 0.00 0.21 0.00 0.00 66.02 67.95 2nv3 s SER 129 CO -0.00 -0.22 1.11 -1.58 0.41 0.00 0.00 173.24 172.96 2nv3 s GLN 130 N 2.28 3.70 0.10 12.44 0.74 -1.26 -4.95 119.66 132.71 2nv3 s GLN 130 Ca -0.07 -2.06 -0.25 0.00 0.05 0.00 0.00 55.36 53.03 2nv3 s GLN 130 Cb -0.10 -4.85 0.08 0.00 1.10 0.00 0.00 33.01 29.25 2nv3 s GLN 130 CO -0.17 -1.67 0.78 0.54 -0.55 0.00 0.00 175.29 174.21 2nv3 s ASN 131 N 3.18 -0.41 0.00 6.67 2.20 -1.26 -5.38 114.94 119.95 2nv3 s ASN 131 Ca 0.32 -0.11 0.16 0.00 -0.94 0.00 0.00 52.86 52.29 2nv3 s ASN 131 Cb -0.06 0.51 0.13 0.00 -2.00 0.00 0.00 41.25 39.83 2nv3 s ASN 131 CO -0.08 -0.85 1.01 -1.22 -2.94 0.00 0.00 177.10 173.02