#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 3.58 -0.35 4.61 0.00 -1.26 -4.57 120.51 122.53 2nv3 n ALA 3 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2nv3 n ALA 3 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.43 0.00 -3.71 0.00 5.12 -1.26 -4.93 116.66 111.45 2nv3 n ARG 4 Ca 0.09 0.33 -0.27 0.00 -1.93 0.00 0.00 57.85 56.06 2nv3 n ARG 4 Cb 0.41 -0.88 -0.03 0.00 -1.16 0.00 0.00 32.46 30.80 2nv3 n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2nv3 s ALA 5 N -3.27 3.84 1.28 7.54 0.00 -1.26 -5.10 121.76 124.79 2nv3 s ALA 5 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 2nv3 s ALA 5 Cb 0.00 -1.99 0.27 0.00 0.00 0.00 0.00 23.12 21.40 2nv3 s ALA 5 CO 0.00 0.45 0.61 0.43 0.00 0.00 0.00 175.76 177.25 2nv3 n SER 6 N -0.63 -3.52 0.00 0.00 7.64 -1.26 -4.48 113.62 111.38 2nv3 n SER 6 Ca -0.05 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2nv3 n SER 6 Cb 0.54 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2nv3 n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2nv3 n VAL 7 N -4.99 0.00 -0.25 0.44 0.31 -1.26 -4.60 118.33 107.98 2nv3 n VAL 7 Ca 0.10 0.46 -0.08 0.00 -0.01 0.00 0.00 64.34 64.81 2nv3 n VAL 7 Cb 0.42 -1.43 0.04 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.92 -4.60 3.52 0.00 -2.04 -3.48 119.26 111.59 2nv3 h ALA 8 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 2nv3 h ALA 8 Cb 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 17.79 17.65 2nv3 h ALA 8 CO 0.00 0.66 -0.56 0.45 0.00 0.00 0.00 179.25 179.80 2nv3 n SER 9 N -4.23 -3.21 -0.31 0.00 2.88 -1.26 -4.44 113.62 103.04 2nv3 n SER 9 Ca 0.05 -0.45 0.33 0.00 -1.33 0.00 0.00 58.87 57.47 2nv3 n SER 9 Cb 0.27 -3.74 0.54 0.00 -0.75 0.00 0.00 64.21 60.53 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 -1.11 0.00 0.00 0.46 0.00 -1.98 0.53 103.07 100.96 2nv3 h GLY 10 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2nv3 h GLY 10 CO 0.33 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.42 2nv3 h GLY 11 N 0.00 0.00 0.95 4.60 0.00 -2.02 -3.35 103.07 103.25 2nv3 h GLY 11 Ca 0.58 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.96 2nv3 h GLY 11 CO -0.01 0.00 0.57 0.83 0.00 0.00 0.00 176.54 177.93 2nv3 h GLU 12 N -0.57 1.00 -1.07 4.80 5.08 -1.60 -1.71 114.58 120.51 2nv3 h GLU 12 Ca 0.00 -0.06 0.28 0.00 -1.00 0.00 0.00 59.36 58.58 2nv3 h GLU 12 Cb 0.12 -0.23 -0.10 0.00 0.50 0.00 0.00 28.75 29.05 2nv3 h GLU 12 CO 0.00 0.66 0.69 1.25 -1.00 0.00 0.00 179.01 180.61 2nv3 h LEU 13 N 1.03 0.42 -0.77 1.33 7.12 -0.18 0.17 115.31 124.42 2nv3 h LEU 13 Ca 0.36 0.09 0.14 0.00 0.13 0.00 0.00 57.88 58.60 2nv3 h LEU 13 Cb 0.12 0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 40.18 2nv3 h LEU 13 CO -0.12 0.06 0.32 -0.78 -0.13 0.00 0.00 178.44 177.79 2nv3 h ASP 14 N 0.36 0.32 -0.33 1.25 3.58 -1.44 -0.91 116.42 119.24 2nv3 h ASP 14 Ca 0.61 0.11 -0.13 0.00 0.42 0.00 0.00 57.03 58.04 2nv3 h ASP 14 Cb 1.62 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 2nv3 h ASP 14 CO -0.30 0.12 -0.31 0.11 -2.88 0.00 0.00 179.24 175.98 2nv3 h LYS 15 N 0.47 0.80 -0.18 0.28 1.57 -0.82 -2.69 116.57 115.99 2nv3 h LYS 15 Ca 0.42 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2nv3 h LYS 15 Cb 0.63 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 2nv3 h LYS 15 CO -0.40 1.04 -0.20 2.35 -0.57 0.00 0.00 179.45 181.68 2nv3 h TRP 16 N 0.57 -0.52 0.00 -1.35 2.91 -0.94 0.22 115.95 116.84 2nv3 h TRP 16 Ca 0.05 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.11 2nv3 h TRP 16 Cb 0.89 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 2nv3 h TRP 16 CO 0.07 -0.28 0.00 0.39 -1.03 0.00 0.00 178.44 177.59 2nv3 n GLU 17 N -5.34 0.37 0.21 2.65 1.02 -0.62 -3.47 120.64 115.45 2nv3 n GLU 17 Ca -0.02 0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 2nv3 n GLU 17 Cb 0.26 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 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 -0.56 -6.91 3.49 3.64 -0.20 -3.39 116.57 112.63 2nv3 h LYS 18 Ca 0.00 0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.86 2nv3 h LYS 18 Cb 0.14 0.13 0.14 0.00 -0.41 0.00 0.00 32.23 32.23 2nv3 h LYS 18 CO 0.00 -0.29 0.46 -0.89 -2.27 0.00 0.00 179.45 176.46 2nv3 n ILE 19 N -5.18 3.31 -2.81 2.00 5.41 -1.18 -4.90 119.36 116.01 2nv3 n ILE 19 Ca -0.09 -0.50 -0.23 0.00 1.00 0.00 0.00 62.75 62.93 2nv3 n ILE 19 Cb 0.28 -1.52 0.02 0.00 -0.71 0.00 0.00 39.64 37.71 2nv3 n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nv3 s ARG 20 N -2.59 2.91 -0.01 0.38 0.52 -1.26 -2.90 118.95 116.00 2nv3 s ARG 20 Ca 0.68 -0.48 0.08 0.00 -0.52 0.00 0.00 55.73 55.49 2nv3 s ARG 20 Cb -0.45 -2.50 -0.23 0.00 0.52 0.00 0.00 34.95 32.29 2nv3 s ARG 20 CO 0.52 -0.45 0.80 -0.07 0.02 0.00 0.00 175.30 176.12 2nv3 h LEU 21 N 0.22 0.09 -9.26 2.53 3.38 -0.99 -2.93 115.31 108.35 2nv3 h LEU 21 Ca -0.45 -0.15 -0.59 0.00 0.09 0.00 0.00 57.88 56.78 2nv3 h LEU 21 Cb 1.26 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2nv3 h LEU 21 CO 0.57 1.13 -0.72 -0.13 0.09 0.00 0.00 178.44 179.37 2nv3 s ARG 22 N -2.62 1.70 0.07 1.13 3.00 -1.26 -4.20 118.95 116.77 2nv3 s ARG 22 Ca -0.05 -1.82 -0.17 0.00 0.00 0.00 0.00 55.73 53.68 2nv3 s ARG 22 Cb 0.08 -1.66 -0.11 0.00 0.00 0.00 0.00 34.95 33.26 2nv3 s ARG 22 CO 0.82 0.23 1.39 -1.00 0.00 0.00 0.00 175.30 176.74 2nv3 h PRO 23 N 2.20 0.55 -0.54 3.54 0.13 -1.91 -3.33 132.00 132.63 2nv3 h PRO 23 Ca -0.41 -0.29 -0.39 0.00 -0.87 0.00 0.00 66.00 64.04 2nv3 h PRO 23 Cb 1.25 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 32.06 2nv3 h PRO 23 CO 0.64 0.88 -0.79 0.41 -0.23 0.00 0.00 178.00 178.91 2nv3 n GLY 24 N 0.18 5.52 0.00 1.56 0.00 -1.26 -4.96 105.19 106.23 2nv3 n GLY 24 Ca -0.05 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.75 3.79 0.00 -0.02 0.00 -1.25 -5.06 105.19 101.90 2nv3 n GLY 25 Ca 0.34 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.31 0.14 -3.20 1.61 5.02 -1.26 -4.93 118.16 115.22 2nv3 n LYS 26 Ca 0.00 -0.32 -0.35 0.00 -2.02 0.00 0.00 58.31 55.62 2nv3 n LYS 26 Cb 0.00 -0.80 -0.06 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.11 4.11 0.08 1.97 -0.14 -1.26 -5.00 119.74 119.39 2nv3 s LYS 27 Ca 0.00 0.70 0.01 0.00 -1.36 0.00 0.00 55.97 55.31 2nv3 s LYS 27 Cb 0.00 -2.84 -0.00 0.00 -1.68 0.00 0.00 37.83 33.31 2nv3 s LYS 27 CO 0.00 0.39 0.03 1.04 -0.76 0.00 0.00 175.35 176.05 2nv3 n GLN 28 N 0.60 0.97 -3.28 1.68 3.00 -1.26 -0.43 117.38 118.66 2nv3 n GLN 28 Ca -0.03 -0.69 -0.33 0.00 -0.01 0.00 0.00 57.00 55.94 2nv3 n GLN 28 Cb 0.52 0.35 -0.06 0.00 0.00 0.00 0.00 30.24 31.05 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 -1.79 3.48 0.17 1.08 2.02 -1.14 -4.59 117.35 116.58 2nv3 s TYR 29 Ca 0.04 1.08 -0.02 0.00 -0.37 0.00 0.00 57.07 57.79 2nv3 s TYR 29 Cb 0.00 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 2nv3 s TYR 29 CO 0.03 0.27 0.13 0.21 -1.57 0.00 0.00 175.55 174.61 2nv3 s LYS 30 N -2.56 1.10 0.33 -0.62 2.20 -1.26 -4.09 119.74 114.84 2nv3 s LYS 30 Ca 0.46 -1.50 0.11 0.00 -0.36 0.00 0.00 55.97 54.69 2nv3 s LYS 30 Cb -0.12 0.28 0.91 0.00 -1.51 0.00 0.00 37.83 37.38 2nv3 s LYS 30 CO 0.20 -0.35 1.74 -0.07 -0.36 0.00 0.00 175.35 176.50 2nv3 h LEU 31 N 2.70 0.65 -0.97 5.43 3.38 -1.98 -0.21 115.31 124.31 2nv3 h LEU 31 Ca -0.35 0.12 0.37 0.00 0.09 0.00 0.00 57.88 58.12 2nv3 h LEU 31 Cb 1.23 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 2nv3 h LEU 31 CO 0.54 0.12 0.40 1.17 0.09 0.00 0.00 178.44 180.76 2nv3 n LYS 32 N -4.83 -0.06 -0.01 1.13 4.81 -1.26 0.07 118.16 118.00 2nv3 n LYS 32 Ca 0.26 1.36 -0.16 0.00 -0.87 0.00 0.00 58.31 58.90 2nv3 n LYS 32 Cb 0.75 -2.38 -0.12 0.00 0.02 0.00 0.00 35.03 33.30 2nv3 n LYS 32 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2nv3 h HIS 33 N 0.00 0.31 -0.02 5.64 3.86 -1.45 -1.68 115.15 121.81 2nv3 h HIS 33 Ca 0.77 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.79 2nv3 h HIS 33 Cb 1.95 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 30.39 2nv3 h HIS 33 CO -0.12 1.06 0.03 0.82 0.86 0.00 0.00 177.93 180.57 2nv3 h ILE 34 N -0.53 0.33 0.14 2.45 2.04 -0.36 -1.17 117.51 120.42 2nv3 h ILE 34 Ca -0.05 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.47 2nv3 h ILE 34 Cb 1.18 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2nv3 h ILE 34 CO 0.07 0.00 -1.74 0.58 0.00 0.00 0.00 178.15 177.06 2nv3 h VAL 35 N 0.00 0.84 0.00 1.67 2.07 -0.56 -2.84 116.25 117.43 2nv3 h VAL 35 Ca 0.01 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2nv3 h VAL 35 Cb 0.06 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2nv3 h VAL 35 CO -0.00 0.81 0.00 -0.25 0.02 0.00 0.00 177.57 178.15 2nv3 h TRP 36 N -0.06 0.00 0.00 1.57 7.01 -0.65 -2.69 115.95 121.14 2nv3 h TRP 36 Ca -0.37 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.53 2nv3 h TRP 36 Cb 1.96 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 29.00 2nv3 h TRP 36 CO 0.10 0.00 -0.90 0.00 -2.79 0.00 0.00 178.44 174.85 2nv3 n ALA 37 N -2.03 0.62 -0.34 2.65 0.00 -0.50 -3.34 120.51 117.57 2nv3 n ALA 37 Ca -0.00 -0.49 0.21 0.00 0.00 0.00 0.00 53.44 53.16 2nv3 n ALA 37 Cb 0.23 -0.20 0.46 0.00 0.00 0.00 0.00 19.45 19.93 2nv3 n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nv3 h SER 38 N -1.00 0.54 0.08 0.00 4.64 -1.51 -0.71 113.55 115.59 2nv3 h SER 38 Ca -0.16 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2nv3 h SER 38 Cb 0.88 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2nv3 h SER 38 CO -0.10 0.09 -0.04 -0.09 -0.87 0.00 0.00 176.83 175.82 2nv3 h ARG 39 N 0.47 -0.10 -0.56 4.77 9.65 -1.66 -3.12 114.38 123.82 2nv3 h ARG 39 Ca 0.62 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.62 2nv3 h ARG 39 Cb 1.42 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.91 2nv3 h ARG 39 CO -0.37 0.38 -0.23 1.49 2.80 0.00 0.00 179.97 184.03 2nv3 h GLU 40 N -0.64 -0.09 -0.90 0.20 4.22 -1.16 0.12 114.58 116.32 2nv3 h GLU 40 Ca -0.01 0.01 0.16 0.00 0.08 0.00 0.00 59.36 59.59 2nv3 h GLU 40 Cb 0.53 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 2nv3 h GLU 40 CO 0.02 -0.06 0.50 -0.07 -2.18 0.00 0.00 179.01 177.21 2nv3 h LEU 41 N -0.10 0.62 -2.02 1.64 3.38 -1.39 0.28 115.31 117.73 2nv3 h LEU 41 Ca 0.25 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.45 2nv3 h LEU 41 Cb 0.50 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2nv3 h LEU 41 CO -0.62 0.25 0.42 -0.08 0.09 0.00 0.00 178.44 178.49 2nv3 h GLU 42 N 0.68 0.00 0.00 1.13 4.81 0.42 0.36 114.58 121.98 2nv3 h GLU 42 Ca 0.50 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.62 2nv3 h GLU 42 Cb 0.71 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2nv3 h GLU 42 CO -0.36 0.00 -1.22 -0.09 -0.73 0.00 0.00 179.01 176.61 2nv3 h ARG 43 N 0.00 0.00 -0.93 1.92 2.43 -0.34 -3.33 114.38 114.13 2nv3 h ARG 43 Ca 0.22 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 2nv3 h ARG 43 Cb 1.05 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.51 2nv3 h ARG 43 CO -0.00 0.20 0.19 1.19 -1.51 0.00 0.00 179.97 180.04 2nv3 n PHE 44 N -2.84 1.25 -2.07 2.20 3.01 0.10 -4.82 117.46 114.29 2nv3 n PHE 44 Ca -0.06 -0.82 -0.19 0.00 1.01 0.00 0.00 57.45 57.39 2nv3 n PHE 44 Cb 0.74 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.05 -0.45 -3.22 4.37 0.00 -1.12 -4.98 120.51 115.06 2nv3 n ALA 45 Ca 0.22 0.20 -0.26 0.00 0.00 0.00 0.00 53.44 53.61 2nv3 n ALA 45 Cb 0.91 -1.96 -0.16 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.84 1.31 0.27 0.00 1.01 0.08 -5.03 120.40 115.20 2nv3 s VAL 46 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 2nv3 s VAL 46 Cb 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 2nv3 s VAL 46 CO 0.00 0.39 0.99 0.20 0.00 0.00 0.00 175.10 176.68 2nv3 s ASN 47 N 0.39 7.44 0.00 3.32 0.01 -1.26 -1.45 114.94 123.39 2nv3 s ASN 47 Ca -0.11 2.03 0.15 0.00 -0.71 0.00 0.00 52.86 54.22 2nv3 s ASN 47 Cb -0.14 -2.61 0.70 0.00 0.41 0.00 0.00 41.25 39.61 2nv3 s ASN 47 CO 0.04 0.00 1.42 -0.81 -1.51 0.00 0.00 177.10 176.24 2nv3 n PRO 48 N 1.18 0.15 -0.00 -0.60 -0.04 -1.26 -2.58 135.00 131.84 2nv3 n PRO 48 Ca -0.01 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 2nv3 n PRO 48 Cb 0.47 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.96 0.11 0.55 0.00 -1.26 -3.20 105.19 100.39 2nv3 n GLY 49 Ca 0.06 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.92 2nv3 n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nv3 h LEU 50 N 0.07 0.00 0.00 0.99 3.38 -1.88 -3.26 115.31 114.61 2nv3 h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nv3 h LEU 50 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2nv3 h LEU 50 CO 0.00 0.52 0.00 0.18 0.09 0.00 0.00 178.44 179.23 2nv3 n LEU 51 N -3.03 0.00 0.08 1.67 4.77 -1.19 -3.12 117.00 116.17 2nv3 n LEU 51 Ca -0.04 0.47 -0.05 0.00 -0.03 0.00 0.00 56.01 56.36 2nv3 n LEU 51 Cb 0.78 -0.47 0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2nv3 n LEU 51 CO 0.42 -0.07 0.47 1.05 -1.33 0.00 0.00 177.39 177.93 2nv3 h GLU 52 N 0.00 0.25 -5.27 3.23 4.11 -1.75 -3.43 114.58 111.73 2nv3 h GLU 52 Ca 0.00 -0.18 -0.64 0.00 0.07 0.00 0.00 59.36 58.62 2nv3 h GLU 52 Cb 0.40 0.03 -0.21 0.00 0.50 0.00 0.00 28.75 29.47 2nv3 h GLU 52 CO 0.00 0.78 -0.66 0.95 0.07 0.00 0.00 179.01 180.15 2nv3 s THR 53 N -3.76 3.95 0.39 -1.06 -4.23 -1.18 -4.99 115.64 104.77 2nv3 s THR 53 Ca -0.04 -0.33 0.18 0.00 -1.18 0.00 0.00 61.69 60.32 2nv3 s THR 53 Cb 0.12 -2.75 0.39 0.00 1.34 0.00 0.00 72.50 71.60 2nv3 s THR 53 CO 0.80 0.48 1.76 -1.28 -0.54 0.00 0.00 174.62 175.84 2nv3 h SER 54 N 6.84 0.45 -0.61 3.99 0.87 -1.84 0.26 113.55 123.51 2nv3 h SER 54 Ca -0.32 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 2nv3 h SER 54 Cb 1.19 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 2nv3 h SER 54 CO 0.63 0.07 0.28 1.05 -0.53 0.00 0.00 176.83 178.33 2nv3 h GLU 55 N 0.39 0.89 -0.92 2.24 4.11 -1.94 -2.78 114.58 116.57 2nv3 h GLU 55 Ca 0.62 -0.14 0.10 0.00 0.07 0.00 0.00 59.36 60.01 2nv3 h GLU 55 Cb 1.55 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.57 2nv3 h GLU 55 CO -0.32 0.73 0.56 0.78 0.07 0.00 0.00 179.01 180.82 2nv3 h GLY 56 N 0.84 1.46 1.01 1.06 0.00 -0.58 -1.72 103.07 105.13 2nv3 h GLY 56 Ca 0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2nv3 h GLY 56 CO -0.02 0.16 0.33 0.00 0.00 0.00 0.00 176.54 177.01 2nv3 h ARG 58 N 0.96 0.24 -0.28 0.00 2.43 -1.15 0.18 114.38 116.75 2nv3 h ARG 58 Ca 0.24 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.21 2nv3 h ARG 58 Cb 0.12 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2nv3 h ARG 58 CO -0.03 0.16 -0.54 1.96 -1.51 0.00 0.00 179.97 180.01 2nv3 h GLN 59 N 0.25 0.85 0.36 0.20 4.20 -1.41 -2.39 115.11 117.17 2nv3 h GLN 59 Ca 0.39 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 2nv3 h GLN 59 Cb 0.66 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2nv3 h GLN 59 CO -0.51 1.17 -0.20 0.82 -0.67 0.00 0.00 178.83 179.44 2nv3 h ILE 60 N 0.65 0.59 -0.68 2.54 2.04 -0.39 0.03 117.51 122.30 2nv3 h ILE 60 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2nv3 h ILE 60 Cb 1.14 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2nv3 h ILE 60 CO 0.12 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.63 2nv3 h LEU 61 N -0.52 0.72 -1.41 1.44 3.38 -0.78 -1.32 115.31 116.82 2nv3 h LEU 61 Ca -0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2nv3 h LEU 61 Cb 0.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2nv3 h LEU 61 CO 0.06 0.51 -0.03 1.23 0.09 0.00 0.00 178.44 180.30 2nv3 h GLY 62 N 0.86 0.38 0.72 0.83 0.00 -1.22 0.30 103.07 104.93 2nv3 h GLY 62 Ca 0.26 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2nv3 h GLY 62 CO -0.09 0.20 -0.27 1.46 0.00 0.00 0.00 176.54 177.83 2nv3 h GLN 63 N 0.34 0.36 -0.00 4.80 4.20 -0.26 -3.12 115.11 121.43 2nv3 h GLN 63 Ca 0.08 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2nv3 h GLN 63 Cb 0.28 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2nv3 h GLN 63 CO 0.01 0.87 -0.00 1.28 -0.67 0.00 0.00 178.83 180.32 2nv3 n LEU 64 N -4.45 0.00 0.30 1.46 4.77 -0.57 -3.97 117.00 114.54 2nv3 n LEU 64 Ca -0.08 0.48 -0.17 0.00 -0.03 0.00 0.00 56.01 56.21 2nv3 n LEU 64 Cb 0.46 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2nv3 n LEU 64 CO 0.41 0.00 0.52 1.56 -1.33 0.00 0.00 177.39 178.56 2nv3 h GLN 65 N 0.00 -0.94 0.00 3.23 1.08 -0.34 0.34 115.11 118.48 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 0.48 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2nv3 h GLN 65 CO 0.00 -0.63 0.00 -0.35 -0.95 0.00 0.00 178.83 176.90 2nv3 n PRO 66 N -5.33 0.49 -0.00 1.46 -0.04 -1.25 -1.89 135.00 128.43 2nv3 n PRO 66 Ca -0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.41 2nv3 n PRO 66 Cb 0.44 -1.49 -0.10 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 -0.99 1.09 0.30 3.54 7.64 -0.59 -4.43 113.62 120.19 2nv3 n SER 67 Ca 0.11 -0.47 0.14 0.00 1.01 0.00 0.00 58.87 59.66 2nv3 n SER 67 Cb 0.05 1.29 0.74 0.00 -1.01 0.00 0.00 64.21 65.29 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 0.05 -3.43 3.38 -0.25 0.79 115.31 115.85 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 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2nv3 h LEU 68 CO 0.00 0.00 -1.90 1.67 0.09 0.00 0.00 178.44 178.30 2nv3 n GLN 69 N -2.74 0.66 0.00 1.13 7.27 -1.26 -4.58 117.38 117.86 2nv3 n GLN 69 Ca -0.02 0.35 -0.10 0.00 0.07 0.00 0.00 57.00 57.30 2nv3 n GLN 69 Cb 0.36 -1.67 -0.08 0.00 2.41 0.00 0.00 30.24 31.26 2nv3 n GLN 69 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2nv3 h THR 70 N -0.43 0.95 -4.18 1.69 1.35 -1.38 -3.46 112.91 107.45 2nv3 h THR 70 Ca -0.46 -1.42 -0.52 0.00 -0.55 0.00 0.00 66.41 63.46 2nv3 h THR 70 Cb 1.72 1.69 0.20 0.00 -1.73 0.00 0.00 68.15 70.04 2nv3 h THR 70 CO -0.10 0.28 0.16 0.61 -0.25 0.00 0.00 175.52 176.22 2nv3 n GLY 71 N 1.07 -0.50 0.00 5.82 0.00 0.26 -5.03 105.19 106.81 2nv3 n GLY 71 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.91 0.00 0.30 1.61 3.41 -1.26 -4.82 113.62 108.94 2nv3 n SER 72 Ca 0.12 -0.32 0.18 0.00 -0.26 0.00 0.00 58.87 58.59 2nv3 n SER 72 Cb 0.52 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.38 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 0.00 4.33 4.57 -1.95 -2.20 114.58 119.33 2nv3 h GLU 73 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2nv3 h GLU 73 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2nv3 h GLU 73 CO 0.00 0.03 -0.07 0.93 -1.18 0.00 0.00 179.01 178.72 2nv3 h GLU 74 N 0.00 0.00 0.02 1.92 5.08 -2.01 -1.74 114.58 117.84 2nv3 h GLU 74 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2nv3 h GLU 74 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2nv3 h GLU 74 CO 0.00 0.07 -1.24 1.25 -1.00 0.00 0.00 179.01 178.09 2nv3 h LEU 75 N 0.00 0.06 -0.94 1.33 5.85 -1.72 -3.28 115.31 116.61 2nv3 h LEU 75 Ca -0.00 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 2nv3 h LEU 75 Cb 0.13 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2nv3 h LEU 75 CO 0.01 1.06 -0.38 0.03 -0.34 0.00 0.00 178.44 178.82 2nv3 h ARG 76 N 0.01 0.29 -0.25 1.25 3.08 -1.38 -2.77 114.38 114.61 2nv3 h ARG 76 Ca -0.11 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 2nv3 h ARG 76 Cb 1.87 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.90 2nv3 h ARG 76 CO 0.12 0.63 -0.03 0.77 -1.07 0.00 0.00 179.97 180.40 2nv3 h SER 77 N 0.24 0.46 0.26 7.04 0.02 -1.49 -2.48 113.55 117.60 2nv3 h SER 77 Ca 0.03 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2nv3 h SER 77 Cb 0.79 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 2nv3 h SER 77 CO 0.06 0.69 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.21 2nv3 h LEU 78 N 0.23 -0.39 -0.36 5.07 -0.00 -1.60 0.92 115.31 119.18 2nv3 h LEU 78 Ca 0.07 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.05 2nv3 h LEU 78 Cb 0.47 0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 41.17 2nv3 h LEU 78 CO 0.02 -0.25 -0.14 0.22 -0.00 0.00 0.00 178.44 178.28 2nv3 h TYR 79 N -0.40 -0.35 -0.41 1.13 5.03 -1.51 0.24 116.97 120.71 2nv3 h TYR 79 Ca -0.02 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 2nv3 h TYR 79 Cb 0.33 0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.80 2nv3 h TYR 79 CO -0.09 -0.22 0.23 -0.91 -1.32 0.00 0.00 178.16 175.85 2nv3 h ASN 80 N -0.08 0.51 0.29 -2.11 4.21 -1.27 0.09 115.58 117.22 2nv3 h ASN 80 Ca 0.18 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 2nv3 h ASN 80 Cb 0.35 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 2nv3 h ASN 80 CO -0.41 0.44 -0.18 0.74 -1.29 0.00 0.00 177.43 176.72 2nv3 h THR 81 N 0.53 0.61 0.49 2.81 2.02 0.04 -2.13 112.91 117.28 2nv3 h THR 81 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 2nv3 h THR 81 Cb 0.04 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2nv3 h THR 81 CO -0.02 0.00 -0.28 0.40 0.37 0.00 0.00 175.52 175.98 2nv3 h ILE 82 N -0.46 0.41 -1.25 3.11 2.04 -0.46 -2.14 117.51 118.77 2nv3 h ILE 82 Ca -0.03 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.19 2nv3 h ILE 82 Cb 0.39 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 2nv3 h ILE 82 CO 0.02 0.00 0.86 0.00 0.00 0.00 0.00 178.15 179.04 2nv3 h ALA 83 N -0.25 2.90 0.00 1.87 0.00 -0.94 1.44 119.26 124.29 2nv3 h ALA 83 Ca -0.06 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2nv3 h ALA 83 Cb 0.59 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2nv3 h ALA 83 CO 0.07 -1.33 -0.41 0.28 0.00 0.00 0.00 179.25 177.86 2nv3 h VAL 84 N 0.12 0.92 0.10 0.00 2.07 -0.72 -3.16 116.25 115.58 2nv3 h VAL 84 Ca 0.65 -1.66 -0.35 0.00 0.82 0.00 0.00 66.70 66.16 2nv3 h VAL 84 Cb 2.26 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 34.01 2nv3 h VAL 84 CO -0.14 0.40 -1.94 -0.11 0.02 0.00 0.00 177.57 175.79 2nv3 n LEU 85 N -3.50 2.25 -0.33 2.57 7.94 0.46 -4.06 117.00 122.32 2nv3 n LEU 85 Ca -0.00 0.25 0.11 0.00 -1.11 0.00 0.00 56.01 55.25 2nv3 n LEU 85 Cb 0.55 -0.83 0.31 0.00 0.53 0.00 0.00 43.42 43.97 2nv3 n LEU 85 CO 0.38 0.76 1.22 0.22 -1.11 0.00 0.00 177.39 178.85 2nv3 h TYR 86 N 0.06 1.02 -0.56 1.96 5.03 -0.43 -0.51 116.97 123.53 2nv3 h TYR 86 Ca -0.40 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 60.91 2nv3 h TYR 86 Cb 2.03 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.97 2nv3 h TYR 86 CO 0.06 0.34 0.24 0.00 -1.32 0.00 0.00 178.16 177.48 2nv3 h VAL 88 N 0.76 1.24 -0.19 0.00 2.07 -1.12 0.41 116.25 119.42 2nv3 h VAL 88 Ca 0.19 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2nv3 h VAL 88 Cb 0.18 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2nv3 h VAL 88 CO -0.02 0.34 -0.17 0.45 0.02 0.00 0.00 177.57 178.19 2nv3 h HIS 89 N 0.79 0.35 -0.37 1.57 -0.00 -0.94 -2.19 115.15 114.37 2nv3 h HIS 89 Ca 0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 2nv3 h HIS 89 Cb 0.40 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2nv3 h HIS 89 CO 0.02 0.49 0.00 1.04 -0.00 0.00 0.00 177.93 179.48 2nv3 n GLN 90 N -4.21 3.17 -3.14 2.45 1.13 -0.96 -4.89 117.38 110.93 2nv3 n GLN 90 Ca -0.00 -1.87 -0.14 0.00 -1.94 0.00 0.00 57.00 53.04 2nv3 n GLN 90 Cb 0.32 -1.87 0.07 0.00 0.11 0.00 0.00 30.24 28.87 2nv3 n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2nv3 n ARG 91 N 0.46 -5.29 -4.78 -1.09 0.63 -0.82 -5.03 116.66 100.73 2nv3 n ARG 91 Ca 0.17 0.66 -0.25 0.00 -0.92 0.00 0.00 57.85 57.51 2nv3 n ARG 91 Cb 0.76 -5.12 -0.16 0.00 0.45 0.00 0.00 32.46 28.39 2nv3 n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2nv3 s ILE 92 N -3.28 1.33 -0.12 5.15 1.01 0.14 -5.00 121.20 120.43 2nv3 s ILE 92 Ca 0.06 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2nv3 s ILE 92 Cb -0.03 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.32 2nv3 s ILE 92 CO 0.57 0.38 -0.21 -0.62 0.00 0.00 0.00 174.94 175.06 2nv3 s ASP 93 N -0.07 2.92 0.52 3.58 -1.08 -1.26 -3.26 116.67 118.03 2nv3 s ASP 93 Ca -0.01 -0.55 0.08 0.00 -0.52 0.00 0.00 52.55 51.55 2nv3 s ASP 93 Cb -0.10 -1.34 0.08 0.00 -1.46 0.00 0.00 42.92 40.10 2nv3 s ASP 93 CO 0.01 0.09 0.63 1.33 0.52 0.00 0.00 175.17 177.75 2nv3 n VAL 94 N 3.95 0.00 -0.02 1.11 0.24 -1.26 -5.05 118.33 117.30 2nv3 n VAL 94 Ca -0.20 -1.82 0.08 0.00 -2.04 0.00 0.00 64.34 60.36 2nv3 n VAL 94 Cb 0.52 -0.42 -0.16 0.00 -1.47 0.00 0.00 33.84 32.31 2nv3 n VAL 94 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2nv3 n LYS 95 N -2.02 0.64 -3.65 7.34 5.02 -1.26 -4.88 118.16 119.36 2nv3 n LYS 95 Ca 0.10 -0.17 0.01 0.00 -2.02 0.00 0.00 58.31 56.24 2nv3 n LYS 95 Cb 0.55 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 2nv3 n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2nv3 s ASP 96 N -4.41 -0.06 0.10 4.39 1.47 -1.26 -4.45 116.67 112.44 2nv3 s ASP 96 Ca -0.08 -0.17 0.13 0.00 1.18 0.00 0.00 52.55 53.62 2nv3 s ASP 96 Cb 0.12 0.19 0.59 0.00 -0.34 0.00 0.00 42.92 43.48 2nv3 s ASP 96 CO 0.83 -0.35 1.41 0.41 0.68 0.00 0.00 175.17 178.14 2nv3 n THR 97 N -0.51 1.27 -0.03 2.11 -1.04 -1.11 -2.52 114.28 112.45 2nv3 n THR 97 Ca -0.08 0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 62.19 2nv3 n THR 97 Cb 0.62 -1.29 -0.09 0.00 -1.82 0.00 0.00 70.33 67.75 2nv3 n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2nv3 h LYS 98 N 0.00 0.16 0.00 -2.82 1.63 -1.89 -3.14 116.57 110.51 2nv3 h LYS 98 Ca 0.00 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2nv3 h LYS 98 Cb 0.16 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2nv3 h LYS 98 CO 0.00 0.69 0.00 -1.91 -3.45 0.00 0.00 179.45 174.78 2nv3 n GLU 99 N -4.67 0.00 -0.16 1.90 4.07 -1.05 -2.11 120.64 118.62 2nv3 n GLU 99 Ca -0.08 0.39 0.11 0.00 -0.06 0.00 0.00 57.16 57.52 2nv3 n GLU 99 Cb 0.35 -1.12 0.20 0.00 -0.06 0.00 0.00 31.44 30.81 2nv3 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nv3 n ALA 100 N -1.67 0.35 0.20 4.31 0.00 -1.18 0.42 120.51 122.92 2nv3 n ALA 100 Ca 0.00 0.52 -0.08 0.00 0.00 0.00 0.00 53.44 53.87 2nv3 n ALA 100 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 2nv3 n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2nv3 h LEU 101 N 0.00 -0.45 -1.94 0.00 3.38 -1.62 -2.82 115.31 111.86 2nv3 h LEU 101 Ca 0.34 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.51 2nv3 h LEU 101 Cb 0.80 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2nv3 h LEU 101 CO -0.43 -0.20 0.55 -0.78 0.09 0.00 0.00 178.44 177.67 2nv3 h ASP 102 N -0.78 0.00 -0.13 -0.43 1.82 0.51 0.48 116.42 117.88 2nv3 h ASP 102 Ca -0.05 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.47 2nv3 h ASP 102 Cb 0.41 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 2nv3 h ASP 102 CO 0.09 0.00 -0.31 0.11 -1.61 0.00 0.00 179.24 177.52 2nv3 h LYS 103 N 0.00 0.62 0.00 0.28 1.79 -0.10 0.12 116.57 119.29 2nv3 h LYS 103 Ca 0.29 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 2nv3 h LYS 103 Cb 1.39 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 2nv3 h LYS 103 CO -0.00 0.86 -1.40 -0.89 -1.08 0.00 0.00 179.45 176.93 2nv3 n ILE 104 N -4.08 0.72 0.04 1.86 5.41 0.11 -3.00 119.36 120.43 2nv3 n ILE 104 Ca -0.01 -0.60 -0.09 0.00 1.00 0.00 0.00 62.75 63.05 2nv3 n ILE 104 Cb 0.47 -0.40 -0.13 0.00 -0.71 0.00 0.00 39.64 38.86 2nv3 n ILE 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2nv3 h GLU 105 N 0.00 0.04 0.13 0.38 4.57 -0.20 -3.08 114.58 116.41 2nv3 h GLU 105 Ca -0.08 -0.07 -0.31 0.00 -1.18 0.00 0.00 59.36 57.72 2nv3 h GLU 105 Cb 1.25 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2nv3 h GLU 105 CO 0.02 0.90 -1.53 1.49 -1.18 0.00 0.00 179.01 178.71 2nv3 h GLU 106 N 0.01 0.27 -0.01 1.92 4.81 -0.91 -2.48 114.58 118.20 2nv3 h GLU 106 Ca -0.11 -0.47 -0.08 0.00 -0.13 0.00 0.00 59.36 58.58 2nv3 h GLU 106 Cb 1.86 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.41 2nv3 h GLU 106 CO 0.12 1.15 -0.38 1.49 -0.73 0.00 0.00 179.01 180.66 2nv3 h GLU 107 N 0.07 0.02 0.00 1.92 4.22 -1.66 -2.91 114.58 116.25 2nv3 h GLU 107 Ca -0.24 -0.01 -0.24 0.00 0.08 0.00 0.00 59.36 58.95 2nv3 h GLU 107 Cb 2.03 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.24 2nv3 h GLU 107 CO 0.17 0.40 -1.42 0.37 -2.18 0.00 0.00 179.01 176.35 2nv3 h GLN 108 N 0.01 0.00 -0.76 1.92 5.75 -1.63 -3.33 115.11 117.07 2nv3 h GLN 108 Ca -0.00 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.69 2nv3 h GLN 108 Cb 0.68 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.19 2nv3 h GLN 108 CO 0.05 0.55 0.53 -0.97 -2.65 0.00 0.00 178.83 176.35 2nv3 h ASN 109 N 0.00 0.16 -0.32 -0.69 -0.73 -1.23 0.21 115.58 112.98 2nv3 h ASN 109 Ca -0.18 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.02 2nv3 h ASN 109 Cb 1.83 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 40.39 2nv3 h ASN 109 CO 0.08 0.07 0.22 0.11 -0.37 0.00 0.00 177.43 177.54 2nv3 h LYS 110 N 0.16 0.33 0.00 6.67 1.57 -1.67 -0.90 116.57 122.73 2nv3 h LYS 110 Ca 0.37 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 59.00 2nv3 h LYS 110 Cb 1.23 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2nv3 h LYS 110 CO -0.06 0.22 -0.64 1.03 -0.57 0.00 0.00 179.45 179.42 2nv3 h SER 111 N 0.34 0.00 0.22 0.86 0.87 -0.81 -3.08 113.55 111.95 2nv3 h SER 111 Ca 0.13 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2nv3 h SER 111 Cb 0.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2nv3 h SER 111 CO -0.03 0.64 -0.10 0.11 -0.53 0.00 0.00 176.83 176.92 2nv3 h LYS 112 N 0.00 0.00 -1.01 2.24 1.57 -1.07 -1.58 116.57 116.73 2nv3 h LYS 112 Ca -0.01 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.26 2nv3 h LYS 112 Cb 1.27 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.28 2nv3 h LYS 112 CO 0.08 0.10 0.65 1.17 -0.57 0.00 0.00 179.45 180.89 2nv3 n LYS 113 N -3.88 2.24 -1.12 3.15 3.00 -1.16 -4.21 118.16 116.18 2nv3 n LYS 113 Ca -0.02 -2.89 -0.01 0.00 -0.00 0.00 0.00 58.31 55.39 2nv3 n LYS 113 Cb 0.20 -2.13 0.00 0.00 0.00 0.00 0.00 35.03 33.10 2nv3 n LYS 113 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2nv3 n LYS 114 N -1.03 0.14 -2.50 1.64 4.81 -0.68 -5.01 118.16 115.53 2nv3 n LYS 114 Ca 0.57 -0.26 -0.13 0.00 -0.87 0.00 0.00 58.31 57.63 2nv3 n LYS 114 Cb 1.49 0.33 0.03 0.00 0.02 0.00 0.00 35.03 36.90 2nv3 n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2nv3 n ALA 115 N -0.16 3.84 -0.08 3.14 0.00 -0.71 -4.79 120.51 121.74 2nv3 n ALA 115 Ca -0.06 -3.37 -0.12 0.00 0.00 0.00 0.00 53.44 49.90 2nv3 n ALA 115 Cb 0.46 -0.67 -0.15 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.52 0.68 -1.08 0.00 6.02 -1.26 -4.28 117.38 116.93 2nv3 n GLN 116 Ca 0.23 0.11 -0.23 0.00 -0.01 0.00 0.00 57.00 57.11 2nv3 n GLN 116 Cb 0.84 -1.60 0.13 0.00 1.02 0.00 0.00 30.24 30.62 2nv3 n GLN 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nv3 n GLN 117 N -2.97 2.16 -1.16 -1.09 10.64 -1.26 -4.05 117.38 119.65 2nv3 n GLN 117 Ca -0.32 -2.60 -0.03 0.00 -1.83 0.00 0.00 57.00 52.23 2nv3 n GLN 117 Cb 1.10 -2.02 -0.03 0.00 -0.86 0.00 0.00 30.24 28.42 2nv3 n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2nv3 n ALA 118 N -0.79 3.15 -1.99 2.61 0.00 -1.26 -4.90 120.51 117.33 2nv3 n ALA 118 Ca 0.51 -1.29 -0.04 0.00 0.00 0.00 0.00 53.44 52.62 2nv3 n ALA 118 Cb 1.24 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 20.18 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 0.19 3.03 0.01 0.00 0.00 -1.26 -4.98 120.51 117.50 2nv3 n ALA 119 Ca -0.14 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2nv3 n ALA 119 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 3.00 0.18 0.00 0.00 -1.26 -4.88 120.51 117.56 2nv3 n ALA 120 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 2nv3 n ALA 120 Cb 0.62 0.45 -0.04 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.42 -1.30 0.00 3.32 -1.93 -3.40 116.42 112.69 2nv3 h ASP 121 Ca 0.00 0.02 -0.59 0.00 0.02 0.00 0.00 57.03 56.48 2nv3 h ASP 121 Cb 0.81 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2nv3 h ASP 121 CO 0.00 -0.29 1.52 0.35 -1.72 0.00 0.00 179.24 179.10 2nv3 n THR 122 N -3.33 0.14 -0.10 0.35 -2.24 -1.26 -4.93 114.28 102.91 2nv3 n THR 122 Ca -0.06 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2nv3 n THR 122 Cb 0.19 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 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 6.26 -2.72 3.37 3.38 0.00 -1.26 -4.95 105.19 109.27 2nv3 n GLY 123 Ca 0.40 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 2nv3 n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nv3 s ASN 124 N -1.69 4.07 -0.45 1.61 2.47 -1.26 -5.08 114.94 114.60 2nv3 s ASN 124 Ca 0.00 -0.32 0.03 0.00 0.42 0.00 0.00 52.86 52.99 2nv3 s ASN 124 Cb 0.00 -1.63 0.13 0.00 -1.45 0.00 0.00 41.25 38.30 2nv3 s ASN 124 CO 0.00 0.15 0.22 0.20 -3.72 0.00 0.00 177.10 173.96 2nv3 s ASN 125 N 0.41 4.01 0.00 -4.21 0.01 -1.26 -4.99 114.94 108.91 2nv3 s ASN 125 Ca -0.10 -2.68 0.00 0.00 -0.71 0.00 0.00 52.86 49.38 2nv3 s ASN 125 Cb -0.16 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.21 2nv3 s ASN 125 CO 0.05 -0.27 0.00 -0.24 -1.51 0.00 0.00 177.10 175.13 2nv3 n SER 126 N 3.51 0.00 -3.78 -1.22 2.88 -1.26 -5.02 113.62 108.73 2nv3 n SER 126 Ca 0.06 0.31 -0.13 0.00 -1.33 0.00 0.00 58.87 57.78 2nv3 n SER 126 Cb 0.35 -0.38 -0.11 0.00 -0.75 0.00 0.00 64.21 63.31 2nv3 n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nv3 s GLN 127 N -0.76 0.32 0.51 -1.46 -2.07 -1.26 -5.16 119.66 109.77 2nv3 s GLN 127 Ca 0.00 0.35 -0.07 0.00 -1.82 0.00 0.00 55.36 53.81 2nv3 s GLN 127 Cb 0.00 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 2nv3 s GLN 127 CO 0.00 -0.04 0.85 0.14 -1.32 0.00 0.00 175.29 174.91 2nv3 s VAL 128 N 0.09 4.84 -0.18 3.63 -7.23 -1.26 -5.09 120.40 115.20 2nv3 s VAL 128 Ca -0.01 0.43 -0.04 0.00 -1.81 0.00 0.00 61.98 60.56 2nv3 s VAL 128 Cb -0.02 -3.85 0.08 0.00 0.56 0.00 0.00 36.38 33.16 2nv3 s VAL 128 CO 0.00 -0.88 0.22 -0.44 -0.31 0.00 0.00 175.10 173.70 2nv3 s SER 129 N -3.98 1.09 -0.43 4.85 0.01 -1.26 -5.08 113.70 108.90 2nv3 s SER 129 Ca 0.50 -0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.81 2nv3 s SER 129 Cb -0.10 0.44 0.17 0.00 0.21 0.00 0.00 66.02 66.74 2nv3 s SER 129 CO 0.45 -0.30 0.50 -1.58 0.41 0.00 0.00 173.24 172.72 2nv3 s GLN 130 N 2.34 0.85 -0.13 12.44 0.74 -1.26 -5.12 119.66 129.53 2nv3 s GLN 130 Ca 0.06 -1.17 -0.00 0.00 0.05 0.00 0.00 55.36 54.30 2nv3 s GLN 130 Cb -0.15 -0.61 0.02 0.00 1.10 0.00 0.00 33.01 33.38 2nv3 s GLN 130 CO -0.11 -1.28 -0.10 -0.80 -0.55 0.00 0.00 175.29 172.45 2nv3 s ASN 131 N 0.97 2.36 0.00 6.67 -0.87 -1.26 -5.38 114.94 117.43 2nv3 s ASN 131 Ca 0.25 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 51.17 2nv3 s ASN 131 Cb -0.05 -0.96 0.00 0.00 -0.02 0.00 0.00 41.25 40.22 2nv3 s ASN 131 CO -0.08 -0.10 0.00 0.00 -2.57 0.00 0.00 177.10 174.36