#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t s SER 2 N 0.00 6.15 0.00 1.61 0.15 -1.26 -4.98 113.70 115.38 1x4t s SER 2 Ca 0.00 0.16 -0.23 0.00 0.70 0.00 0.00 55.95 56.58 1x4t s SER 2 Cb 0.00 -2.16 -0.18 0.00 -1.71 0.00 0.00 66.02 61.97 1x4t s SER 2 CO 0.00 -0.10 1.24 0.77 1.20 0.00 0.00 173.24 176.36 1x4t h SER 3 N 8.15 0.26 0.00 5.45 4.64 -2.12 -3.47 113.55 126.47 1x4t h SER 3 Ca -0.34 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 1x4t h SER 3 Cb 1.17 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1x4t h SER 3 CO 0.61 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.95 1x4t n GLY 4 N 0.43 1.16 3.44 -0.77 0.00 -1.26 -4.52 105.19 103.67 1x4t n GLY 4 Ca -0.08 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 1x4t n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4t s SER 5 N -4.00 3.89 -0.91 1.61 1.04 -1.26 -5.06 113.70 109.00 1x4t s SER 5 Ca 0.00 -0.25 -0.25 0.00 0.48 0.00 0.00 55.95 55.94 1x4t s SER 5 Cb 0.00 -0.85 0.04 0.00 0.10 0.00 0.00 66.02 65.31 1x4t s SER 5 CO 0.00 0.33 1.39 -0.44 0.98 0.00 0.00 173.24 175.50 1x4t s SER 6 N -0.61 6.35 -0.22 7.02 0.01 -1.26 -4.52 113.70 120.47 1x4t s SER 6 Ca 0.09 -1.05 -0.15 0.00 1.31 0.00 0.00 55.95 56.16 1x4t s SER 6 Cb -0.11 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.58 1x4t s SER 6 CO 0.01 -1.65 0.27 0.61 0.41 0.00 0.00 173.24 172.89 1x4t n GLY 7 N 6.30 -0.55 3.58 3.44 0.00 -1.26 -4.69 105.19 112.01 1x4t n GLY 7 Ca 0.21 0.55 -0.44 0.00 0.00 0.00 0.00 46.02 46.35 1x4t n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4t n LYS 8 N 0.60 1.84 -0.03 1.61 3.00 -1.26 -4.84 118.16 119.08 1x4t n LYS 8 Ca -0.02 0.50 -0.16 0.00 -0.00 0.00 0.00 58.31 58.62 1x4t n LYS 8 Cb 0.50 -3.16 -0.08 0.00 0.00 0.00 0.00 35.03 32.30 1x4t n LYS 8 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1x4t h VAL 9 N 7.17 1.34 -2.35 3.15 -1.51 -2.00 -3.45 116.25 118.59 1x4t h VAL 9 Ca -0.39 -1.85 -0.04 0.00 -1.23 0.00 0.00 66.70 63.18 1x4t h VAL 9 Cb 1.25 2.10 -0.25 0.00 -2.13 0.00 0.00 31.29 32.26 1x4t h VAL 9 CO 0.97 0.57 -0.26 -0.75 -1.23 0.00 0.00 177.57 176.86 1x4t s LYS 10 N -3.73 0.43 0.46 5.19 2.47 -1.26 -5.16 119.74 118.13 1x4t s LYS 10 Ca -0.12 1.14 -0.12 0.00 -1.56 0.00 0.00 55.97 55.30 1x4t s LYS 10 Cb 0.07 0.42 -0.07 0.00 -1.46 0.00 0.00 37.83 36.79 1x4t s LYS 10 CO 0.85 -0.22 0.86 -2.00 0.16 0.00 0.00 175.35 175.00 1x4t s GLU 11 N 2.46 3.82 -0.07 4.03 2.12 -1.26 -5.05 118.70 124.75 1x4t s GLU 11 Ca -0.05 0.64 -0.23 0.00 0.36 0.00 0.00 54.97 55.70 1x4t s GLU 11 Cb -0.11 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 1x4t s GLU 11 CO -0.15 -0.15 0.70 0.50 -0.54 0.00 0.00 175.26 175.61 1x4t s ARG 12 N -4.03 4.43 0.38 4.30 6.06 -1.26 -5.04 118.95 123.79 1x4t s ARG 12 Ca 0.54 0.87 -0.26 0.00 -2.50 0.00 0.00 55.73 54.37 1x4t s ARG 12 Cb -0.10 -3.45 -0.09 0.00 0.06 0.00 0.00 34.95 31.37 1x4t s ARG 12 CO 0.33 0.06 1.25 0.50 -2.50 0.00 0.00 175.30 174.94 1x4t s ARG 13 N 0.82 4.11 0.48 5.12 3.52 -1.26 -5.03 118.95 126.71 1x4t s ARG 13 Ca 0.37 2.04 -0.08 0.00 -0.13 0.00 0.00 55.73 57.93 1x4t s ARG 13 Cb -0.18 -2.82 0.12 0.00 -1.56 0.00 0.00 34.95 30.51 1x4t s ARG 13 CO 0.18 -0.33 0.42 -0.35 -0.81 0.00 0.00 175.30 174.41 1x4t n PRO 14 N 0.31 -1.85 -0.01 5.12 -0.04 -1.26 -5.03 135.00 132.23 1x4t n PRO 14 Ca 0.03 -0.68 -0.01 0.00 -0.04 0.00 0.00 63.50 62.80 1x4t n PRO 14 Cb 0.44 -0.63 -0.01 0.00 -0.04 0.00 0.00 33.50 33.26 1x4t n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4t n PHE 15 N -3.42 0.00 -3.53 0.54 7.35 -1.26 -4.96 117.46 112.17 1x4t n PHE 15 Ca 0.06 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.33 1x4t n PHE 15 Cb 0.23 -0.08 -0.11 0.00 0.35 0.00 0.00 39.48 39.87 1x4t n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1x4t s LEU 16 N -4.31 4.84 0.48 -2.13 1.43 -1.26 -4.95 118.68 112.78 1x4t s LEU 16 Ca -0.01 -0.87 0.19 0.00 -1.03 0.00 0.00 54.13 52.41 1x4t s LEU 16 Cb 0.01 -2.09 1.20 0.00 0.03 0.00 0.00 46.19 45.33 1x4t s LEU 16 CO 0.06 -0.39 1.99 0.00 0.23 0.00 0.00 176.35 178.24 1x4t h ALA 17 N 8.52 2.23 -0.38 4.21 0.00 -1.93 -0.42 119.26 131.49 1x4t h ALA 17 Ca -0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1x4t h ALA 17 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1x4t h ALA 17 CO 0.69 -0.37 -0.24 0.66 0.00 0.00 0.00 179.25 179.99 1x4t h SER 18 N 0.22 0.79 -0.91 0.00 4.64 -1.95 -2.95 113.55 113.38 1x4t h SER 18 Ca 0.26 -0.29 0.07 0.00 -0.47 0.00 0.00 61.79 61.37 1x4t h SER 18 Cb 0.75 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.56 1x4t h SER 18 CO -0.05 1.00 0.59 -0.33 -0.87 0.00 0.00 176.83 177.17 1x4t h GLU 19 N 0.67 0.97 -6.22 4.77 4.39 -1.49 -3.37 114.58 114.30 1x4t h GLU 19 Ca 0.09 -0.06 -0.53 0.00 0.34 0.00 0.00 59.36 59.20 1x4t h GLU 19 Cb 0.76 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 1x4t h GLU 19 CO 0.06 0.64 1.19 0.00 -1.16 0.00 0.00 179.01 179.74 1x4t n THR 21 N 6.84 2.27 -3.94 0.00 -2.24 -1.26 -4.85 114.28 111.11 1x4t n THR 21 Ca 0.12 -1.18 -0.35 0.00 -2.27 0.00 0.00 64.05 60.37 1x4t n THR 21 Cb 0.50 -0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.12 1x4t n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4t s GLU 22 N -2.33 3.23 0.05 -0.78 0.41 -1.26 -5.01 118.70 113.01 1x4t s GLU 22 Ca 0.40 -0.72 -0.24 0.00 -0.41 0.00 0.00 54.97 54.01 1x4t s GLU 22 Cb 0.32 -2.96 -0.17 0.00 -1.78 0.00 0.00 34.13 29.54 1x4t s GLU 22 CO 0.10 -0.24 1.55 1.25 -0.49 0.00 0.00 175.26 177.43 1x4t h LEU 23 N 8.08 -0.02 0.00 1.80 5.85 -1.96 -2.40 115.31 126.66 1x4t h LEU 23 Ca -0.40 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1x4t h LEU 23 Cb 1.15 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1x4t h LEU 23 CO 0.60 0.17 0.00 -0.81 -0.34 0.00 0.00 178.44 178.06 1x4t n PRO 24 N -5.01 0.12 0.00 5.25 -0.04 -1.26 -2.66 135.00 131.40 1x4t n PRO 24 Ca -0.08 0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 1x4t n PRO 24 Cb 0.12 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.94 1x4t n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x4t n LYS 25 N -1.38 0.74 0.23 0.54 4.76 -0.96 -3.65 118.16 118.44 1x4t n LYS 25 Ca 0.05 0.27 0.11 0.00 -2.87 0.00 0.00 58.31 55.88 1x4t n LYS 25 Cb 0.14 -1.73 0.51 0.00 -1.84 0.00 0.00 35.03 32.11 1x4t n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4t h ALA 26 N 0.24 1.05 0.02 7.82 0.00 -1.21 -1.60 119.26 125.58 1x4t h ALA 26 Ca -0.40 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 1x4t h ALA 26 Cb 2.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1x4t h ALA 26 CO 0.09 0.24 -0.97 0.93 0.00 0.00 0.00 179.25 179.55 1x4t h GLU 27 N 0.00 0.09 0.00 0.00 5.08 -1.68 -2.56 114.58 115.52 1x4t h GLU 27 Ca -0.00 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1x4t h GLU 27 Cb 0.67 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1x4t h GLU 27 CO 0.03 0.98 -0.73 1.57 -1.00 0.00 0.00 179.01 179.86 1x4t h LYS 28 N 0.04 0.00 0.00 2.33 2.10 -1.57 -3.26 116.57 116.21 1x4t h LYS 28 Ca -0.04 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.41 1x4t h LYS 28 Cb 1.66 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.96 1x4t h LYS 28 CO 0.14 0.13 -1.10 -1.49 -2.00 0.00 0.00 179.45 175.14 1x4t h TRP 29 N 0.00 0.00 -0.20 0.07 -0.00 -1.32 -3.26 115.95 111.24 1x4t h TRP 29 Ca -0.03 0.00 -0.19 0.00 -0.00 0.00 0.00 58.89 58.67 1x4t h TRP 29 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.33 1x4t h TRP 29 CO 0.00 0.86 -0.64 0.07 -0.00 0.00 0.00 178.44 178.74 1x4t h ARG 30 N 0.00 0.74 0.00 0.49 0.11 -1.54 -3.00 114.38 111.18 1x4t h ARG 30 Ca -0.08 -0.52 -0.03 0.00 0.10 0.00 0.00 59.98 59.44 1x4t h ARG 30 Cb 1.73 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.89 1x4t h ARG 30 CO 0.10 1.14 -0.16 0.07 0.10 0.00 0.00 179.97 181.21 1x4t h ARG 31 N 0.54 0.00 -0.07 0.08 0.11 -1.66 -2.47 114.38 110.91 1x4t h ARG 31 Ca -0.01 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.87 1x4t h ARG 31 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 1x4t h ARG 31 CO 0.13 0.16 -0.79 0.37 0.10 0.00 0.00 179.97 179.95 1x4t h GLN 32 N 0.00 0.47 -0.19 0.08 5.75 -1.57 -3.15 115.11 116.51 1x4t h GLN 32 Ca -0.00 -0.41 -0.16 0.00 -0.15 0.00 0.00 58.65 57.93 1x4t h GLN 32 Cb 0.48 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.13 1x4t h GLN 32 CO 0.02 1.05 -0.50 0.82 -2.65 0.00 0.00 178.83 177.57 1x4t h ILE 33 N 0.31 1.32 -0.41 2.39 2.04 -1.38 -3.16 117.51 118.62 1x4t h ILE 33 Ca -0.05 -1.73 0.08 0.00 1.00 0.00 0.00 64.86 64.16 1x4t h ILE 33 Cb 1.39 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 39.31 1x4t h ILE 33 CO 0.14 0.54 -0.03 0.40 0.00 0.00 0.00 178.15 179.20 1x4t h ILE 34 N 0.36 0.66 -0.75 -0.67 2.04 -1.50 -0.92 117.51 116.73 1x4t h ILE 34 Ca -0.01 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1x4t h ILE 34 Cb 1.12 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1x4t h ILE 34 CO 0.11 0.01 0.49 1.23 0.00 0.00 0.00 178.15 179.99 1x4t h GLY 35 N 0.07 1.03 0.74 5.37 0.00 -1.59 -2.48 103.07 106.21 1x4t h GLY 35 Ca 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1x4t h GLY 35 CO -0.36 0.26 -0.05 0.83 0.00 0.00 0.00 176.54 177.22 1x4t h GLU 36 N 0.84 -0.14 -0.14 4.80 5.08 -1.17 -2.39 114.58 121.45 1x4t h GLU 36 Ca 0.32 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.73 1x4t h GLU 36 Cb 0.18 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1x4t h GLU 36 CO -0.10 0.13 -0.36 0.82 -1.00 0.00 0.00 179.01 178.50 1x4t h ILE 37 N -0.41 0.23 0.05 3.13 2.04 -0.98 -2.14 117.51 119.42 1x4t h ILE 37 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1x4t h ILE 37 Cb 0.34 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1x4t h ILE 37 CO 0.02 0.00 -0.43 -1.28 0.00 0.00 0.00 178.15 176.46 1x4t h SER 38 N -0.43 -1.30 -1.23 1.72 0.87 -1.48 0.43 113.55 112.13 1x4t h SER 38 Ca 0.09 0.15 0.38 0.00 -1.23 0.00 0.00 61.79 61.19 1x4t h SER 38 Cb 0.58 0.50 -0.12 0.00 -0.44 0.00 0.00 62.40 62.92 1x4t h SER 38 CO -0.38 -0.48 0.79 0.11 -0.53 0.00 0.00 176.83 176.34 1x4t h LYS 39 N -0.62 0.17 0.18 2.24 1.79 -1.06 0.58 116.57 119.84 1x4t h LYS 39 Ca 0.03 -0.01 -0.32 0.00 -2.18 0.00 0.00 60.65 58.17 1x4t h LYS 39 Cb 0.67 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1x4t h LYS 39 CO -0.29 0.11 -1.51 0.87 -1.08 0.00 0.00 179.45 177.55 1x4t h LYS 40 N 0.17 0.37 -0.93 3.15 1.57 -0.44 -3.32 116.57 117.15 1x4t h LYS 40 Ca 0.75 -0.64 0.09 0.00 -1.87 0.00 0.00 60.65 58.98 1x4t h LYS 40 Cb 2.24 0.24 -0.07 0.00 0.08 0.00 0.00 32.23 34.72 1x4t h LYS 40 CO -0.39 1.28 0.58 0.28 -0.57 0.00 0.00 179.45 180.62 1x4t h VAL 41 N 0.10 0.99 -0.19 0.50 2.07 0.45 -2.16 116.25 118.01 1x4t h VAL 41 Ca -0.25 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1x4t h VAL 41 Cb 2.07 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1x4t h VAL 41 CO 0.21 0.18 0.09 0.00 0.02 0.00 0.00 177.57 178.07 1x4t h ALA 42 N 1.47 0.22 -0.52 1.67 0.00 -1.28 -1.03 119.26 119.79 1x4t h ALA 42 Ca 0.43 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.44 1x4t h ALA 42 Cb 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1x4t h ALA 42 CO -0.21 -0.33 0.35 1.96 0.00 0.00 0.00 179.25 181.02 1x4t h GLN 43 N 0.20 0.26 -0.04 0.00 4.20 -1.50 -2.00 115.11 116.23 1x4t h GLN 43 Ca 0.08 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1x4t h GLN 43 Cb 0.02 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1x4t h GLN 43 CO -0.05 0.17 -0.31 0.82 -0.67 0.00 0.00 178.83 178.79 1x4t h ILE 44 N 0.27 1.46 -0.99 2.54 1.08 -0.98 -3.23 117.51 117.65 1x4t h ILE 44 Ca 0.24 -1.80 0.22 0.00 -0.39 0.00 0.00 64.86 63.13 1x4t h ILE 44 Cb 0.59 2.47 -0.10 0.00 -3.07 0.00 0.00 36.82 36.72 1x4t h ILE 44 CO -0.05 0.51 0.62 1.56 -0.69 0.00 0.00 178.15 180.10 1x4t h GLN 45 N -0.26 0.55 0.65 2.37 4.20 -0.47 -1.72 115.11 120.43 1x4t h GLN 45 Ca -0.03 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1x4t h GLN 45 Cb 0.99 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.66 1x4t h GLN 45 CO 0.06 0.37 -0.31 -0.91 -0.67 0.00 0.00 178.83 177.37 1x4t h ASN 46 N 0.57 -0.74 -3.25 1.46 2.35 -1.50 -3.47 115.58 111.00 1x4t h ASN 46 Ca 0.57 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 56.15 1x4t h ASN 46 Cb 1.15 0.19 0.06 0.00 0.05 0.00 0.00 38.32 39.78 1x4t h ASN 46 CO -0.32 -0.51 -0.31 0.00 -1.65 0.00 0.00 177.43 174.64 1x4t n ALA 47 N -2.48 -0.62 -2.70 -0.83 0.00 -0.65 -4.96 120.51 108.26 1x4t n ALA 47 Ca -0.13 0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1x4t n ALA 47 Cb 0.36 -2.73 0.09 0.00 0.00 0.00 0.00 19.45 17.16 1x4t n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4t n GLY 48 N -1.19 1.60 0.01 0.00 0.00 -1.26 -4.90 105.19 99.45 1x4t n GLY 48 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 1x4t n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4t n LEU 49 N -0.65 0.00 0.00 0.99 4.77 -1.26 -5.12 117.00 115.73 1x4t n LEU 49 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1x4t n LEU 49 Cb 0.84 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1x4t n LEU 49 CO 0.02 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1x4t n GLY 50 N 2.56 4.11 0.40 -0.72 0.00 -1.26 -4.68 105.19 105.59 1x4t n GLY 50 Ca -0.05 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 1x4t n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4t n GLU 51 N -0.52 -0.35 -0.34 1.61 1.02 -1.26 0.11 120.64 120.91 1x4t n GLU 51 Ca 0.00 1.48 0.09 0.00 -0.02 0.00 0.00 57.16 58.72 1x4t n GLU 51 Cb 0.00 -2.19 0.29 0.00 -0.02 0.00 0.00 31.44 29.52 1x4t n GLU 51 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1x4t h PHE 52 N 0.00 1.06 0.51 -0.32 -1.00 -1.99 -0.34 116.94 114.86 1x4t h PHE 52 Ca 0.23 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.01 1x4t h PHE 52 Cb 0.47 -0.33 0.01 0.00 3.61 0.00 0.00 35.95 39.70 1x4t h PHE 52 CO -0.95 0.38 -0.25 0.00 -1.61 0.00 0.00 178.31 175.89 1x4t h ARG 53 N 0.89 -0.66 -0.77 1.51 2.47 0.51 -1.88 114.38 116.45 1x4t h ARG 53 Ca 0.50 0.05 0.16 0.00 -1.26 0.00 0.00 59.98 59.43 1x4t h ARG 53 Cb 0.62 0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 28.98 1x4t h ARG 53 CO -0.27 -0.37 0.28 0.82 0.56 0.00 0.00 179.97 180.99 1x4t h ILE 54 N -1.05 0.58 -0.00 2.04 5.03 -0.05 -0.11 117.51 123.95 1x4t h ILE 54 Ca -0.07 -0.13 -0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1x4t h ILE 54 Cb 0.60 0.17 -0.00 0.00 -3.03 0.00 0.00 36.82 34.56 1x4t h ILE 54 CO 0.12 0.07 0.00 0.03 -0.68 0.00 0.00 178.15 177.69 1x4t h ARG 55 N 0.39 0.00 -0.75 2.37 2.47 -1.08 -1.13 114.38 116.64 1x4t h ARG 55 Ca 0.44 -0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.23 1x4t h ARG 55 Cb 0.72 -0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.98 1x4t h ARG 55 CO -0.46 0.06 0.44 0.22 0.56 0.00 0.00 179.97 180.79 1x4t h ASP 56 N -0.06 0.65 0.26 7.04 3.58 -0.38 -0.32 116.42 127.19 1x4t h ASP 56 Ca 0.00 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1x4t h ASP 56 Cb 0.06 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1x4t h ASP 56 CO -0.00 0.41 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.58 1x4t h LEU 57 N 0.79 -0.29 -0.96 2.28 3.38 -0.81 -2.63 115.31 117.06 1x4t h LEU 57 Ca 0.34 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.60 1x4t h LEU 57 Cb 0.22 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.91 1x4t h LEU 57 CO -0.19 -0.19 0.47 0.78 0.09 0.00 0.00 178.44 179.40 1x4t h ASN 58 N -0.39 0.39 -0.61 -0.43 2.35 -1.17 0.37 115.58 116.09 1x4t h ASN 58 Ca -0.04 0.18 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1x4t h ASN 58 Cb 0.27 0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.73 1x4t h ASN 58 CO 0.06 -0.10 0.26 -0.78 -1.65 0.00 0.00 177.43 175.22 1x4t h ASP 59 N 0.33 0.31 -0.22 5.81 3.58 -0.99 -2.26 116.42 122.98 1x4t h ASP 59 Ca 0.66 0.06 -0.17 0.00 0.42 0.00 0.00 57.03 58.00 1x4t h ASP 59 Cb 1.42 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.49 1x4t h ASP 59 CO -0.60 0.19 -0.54 -0.33 -2.88 0.00 0.00 179.24 175.08 1x4t h GLU 60 N 0.48 0.76 -0.99 0.28 4.39 0.03 -3.23 114.58 116.28 1x4t h GLU 60 Ca 0.30 -0.52 0.11 0.00 0.34 0.00 0.00 59.36 59.59 1x4t h GLU 60 Cb 0.32 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 28.91 1x4t h GLU 60 CO -0.26 1.14 -0.53 -0.89 -1.16 0.00 0.00 179.01 177.31 1x4t n ILE 61 N -4.09 -0.63 -0.15 3.13 2.08 -0.14 0.15 119.36 119.71 1x4t n ILE 61 Ca -0.06 2.39 -0.05 0.00 0.56 0.00 0.00 62.75 65.59 1x4t n ILE 61 Cb 0.62 -3.01 0.04 0.00 -0.75 0.00 0.00 39.64 36.55 1x4t n ILE 61 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1x4t h ASN 62 N 0.00 0.36 -0.95 4.38 2.35 -1.61 0.65 115.58 120.77 1x4t h ASN 62 Ca 0.21 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.06 1x4t h ASN 62 Cb 0.46 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.72 1x4t h ASN 62 CO -0.95 0.25 0.61 0.11 -1.65 0.00 0.00 177.43 175.80 1x4t h LYS 63 N 0.48 1.03 -0.18 0.81 1.79 -0.50 0.27 116.57 120.28 1x4t h LYS 63 Ca 0.21 -0.06 -0.18 0.00 -2.18 0.00 0.00 60.65 58.43 1x4t h LYS 63 Cb 0.10 -0.23 0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1x4t h LYS 63 CO -0.14 0.68 -0.59 -0.07 -1.08 0.00 0.00 179.45 178.26 1x4t h LEU 64 N 1.07 0.83 0.10 2.94 3.38 0.51 -3.11 115.31 121.03 1x4t h LEU 64 Ca 0.41 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1x4t h LEU 64 Cb 0.23 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1x4t h LEU 64 CO -0.17 1.28 -0.05 0.25 0.09 0.00 0.00 178.44 179.85 1x4t h LEU 65 N 0.43 -0.11 -0.53 1.67 5.85 -0.23 -2.96 115.31 119.44 1x4t h LEU 65 Ca -0.02 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.74 1x4t h LEU 65 Cb 1.21 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 1x4t h LEU 65 CO 0.13 -0.01 -0.17 0.03 -0.34 0.00 0.00 178.44 178.08 1x4t h ARG 66 N -0.20 -0.04 -0.82 1.25 3.08 -1.04 0.28 114.38 116.90 1x4t h ARG 66 Ca -0.01 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.21 1x4t h ARG 66 Cb 0.16 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.12 1x4t h ARG 66 CO 0.02 -0.02 0.35 1.49 -1.07 0.00 0.00 179.97 180.74 1x4t h GLU 67 N -0.04 0.45 0.28 0.04 4.57 -1.45 -1.64 114.58 116.79 1x4t h GLU 67 Ca 0.25 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1x4t h GLU 67 Cb 0.42 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1x4t h GLU 67 CO -0.56 0.30 -0.18 -0.22 -1.18 0.00 0.00 179.01 177.16 1x4t h LYS 68 N 0.46 -0.43 -1.27 1.92 3.64 -0.80 -1.17 116.57 118.93 1x4t h LYS 68 Ca 0.47 0.03 0.37 0.00 -1.27 0.00 0.00 60.65 60.24 1x4t h LYS 68 Cb 0.76 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 1x4t h LYS 68 CO -0.44 -0.29 0.97 0.78 -2.27 0.00 0.00 179.45 178.20 1x4t h GLY 69 N -0.45 0.00 1.01 5.01 0.00 -0.73 0.50 103.07 108.42 1x4t h GLY 69 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.97 1x4t h GLY 69 CO 0.02 0.00 -1.70 0.45 0.00 0.00 0.00 176.54 175.32 1x4t h HIS 70 N 0.00 0.50 0.05 5.60 3.86 -1.19 -3.27 115.15 120.70 1x4t h HIS 70 Ca 0.60 -0.37 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1x4t h HIS 70 Cb 2.53 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.98 1x4t h HIS 70 CO 0.00 1.51 -0.02 -1.49 0.86 0.00 0.00 177.93 178.79 1x4t h TRP 71 N 0.08 -0.06 -1.53 2.45 4.06 0.10 0.40 115.95 121.45 1x4t h TRP 71 Ca -0.31 -0.00 0.46 0.00 2.06 0.00 0.00 58.89 61.10 1x4t h TRP 71 Cb 2.05 0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 30.14 1x4t h TRP 71 CO 0.07 -0.04 1.07 0.93 -3.56 0.00 0.00 178.44 176.91 1x4t h GLU 72 N -0.19 0.05 0.05 0.49 5.08 -0.78 0.25 114.58 119.53 1x4t h GLU 72 Ca -0.01 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1x4t h GLU 72 Cb 0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1x4t h GLU 72 CO 0.01 0.03 -1.08 0.28 -1.00 0.00 0.00 179.01 177.25 1x4t h VAL 73 N 0.05 1.14 -0.05 3.13 2.07 -1.63 -3.09 116.25 117.86 1x4t h VAL 73 Ca 0.79 -2.31 0.02 0.00 0.82 0.00 0.00 66.70 66.01 1x4t h VAL 73 Cb 2.91 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 35.35 1x4t h VAL 73 CO -0.15 0.55 0.19 -0.09 0.02 0.00 0.00 177.57 178.09 1x4t h ARG 74 N -0.68 0.00 -0.02 1.57 9.65 0.30 0.13 114.38 125.33 1x4t h ARG 74 Ca -0.26 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.46 1x4t h ARG 74 Cb 1.46 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.02 1x4t h ARG 74 CO -0.05 0.00 -0.72 0.82 2.80 0.00 0.00 179.97 182.82 1x4t h ILE 75 N 0.00 1.47 0.21 1.20 2.04 -0.99 -3.07 117.51 118.37 1x4t h ILE 75 Ca 0.03 -2.36 -0.32 0.00 1.00 0.00 0.00 64.86 63.21 1x4t h ILE 75 Cb 0.40 2.27 0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1x4t h ILE 75 CO -0.00 0.68 -1.36 0.50 0.00 0.00 0.00 178.15 177.97 1x4t h LYS 76 N 0.08 0.56 0.00 2.37 3.64 -0.72 -0.29 116.57 122.20 1x4t h LYS 76 Ca -0.02 -0.88 0.00 0.00 -1.27 0.00 0.00 60.65 58.49 1x4t h LYS 76 Cb 1.28 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 1x4t h LYS 76 CO 0.10 1.41 0.00 0.93 -2.27 0.00 0.00 179.45 179.63 1x4t h GLU 77 N 0.15 0.00 0.00 1.90 5.08 -1.48 -1.07 114.58 119.17 1x4t h GLU 77 Ca -0.23 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 1x4t h GLU 77 Cb 2.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 1x4t h GLU 77 CO 0.26 0.00 -1.25 -0.07 -1.00 0.00 0.00 179.01 176.95 1x4t h LEU 78 N 0.00 0.00 0.00 1.33 3.38 -1.54 -3.48 115.31 115.00 1x4t h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x4t h LEU 78 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1x4t h LEU 78 CO 0.00 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1x4t n GLY 79 N 1.35 1.25 0.00 0.83 0.00 -0.40 -5.03 105.19 103.19 1x4t n GLY 79 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1x4t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4t n GLY 80 N 0.00 3.50 3.77 -0.02 0.00 -0.12 -5.01 105.19 107.31 1x4t n GLY 80 Ca 0.00 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1x4t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 81 N 2.71 3.63 -0.41 1.61 0.04 -1.26 -4.39 135.00 136.92 1x4t s PRO 81 Ca 0.00 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1x4t s PRO 81 Cb 0.00 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.35 1x4t s PRO 81 CO 0.00 -0.65 0.24 0.16 0.04 0.00 0.00 177.00 176.80 1x4t s ASP 82 N -1.50 5.55 -0.10 6.66 -4.77 -1.26 -3.19 116.67 118.05 1x4t s ASP 82 Ca 0.67 -1.60 0.19 0.00 -3.30 0.00 0.00 52.55 48.51 1x4t s ASP 82 Cb -0.27 -1.95 -0.26 0.00 -1.09 0.00 0.00 42.92 39.35 1x4t s ASP 82 CO 0.32 -0.54 0.32 -1.22 0.70 0.00 0.00 175.17 174.76 1x4t n TYR 83 N 4.86 0.16 0.07 2.11 4.01 -1.17 -4.31 117.16 122.89 1x4t n TYR 83 Ca -0.09 0.05 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 1x4t n TYR 83 Cb 0.43 -0.85 -0.15 0.00 -0.31 0.00 0.00 39.34 38.45 1x4t n TYR 83 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1x4t h GLY 84 N 3.95 0.41 0.09 2.72 0.00 -1.90 -3.36 103.07 104.98 1x4t h GLY 84 Ca -0.31 -1.06 0.05 0.00 0.00 0.00 0.00 47.33 46.01 1x4t h GLY 84 CO 0.02 0.92 -0.35 1.70 0.00 0.00 0.00 176.54 178.84 1x4t h LYS 85 N -0.20 -0.40 -6.31 4.80 3.64 -1.86 -3.40 116.57 112.83 1x4t h LYS 85 Ca -0.21 0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.64 1x4t h LYS 85 Cb 1.82 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.69 1x4t h LYS 85 CO 0.17 -0.27 0.02 0.14 -2.27 0.00 0.00 179.45 177.25 1x4t s VAL 86 N -5.97 4.64 -0.37 2.00 -7.23 -1.26 -5.05 120.40 107.16 1x4t s VAL 86 Ca -0.15 1.34 0.03 0.00 -1.81 0.00 0.00 61.98 61.39 1x4t s VAL 86 Cb 0.10 -3.96 0.11 0.00 0.56 0.00 0.00 36.38 33.19 1x4t s VAL 86 CO 0.66 0.55 0.12 -0.44 -0.31 0.00 0.00 175.10 175.67 1x4t s SER 87 N -1.11 4.40 0.00 4.85 0.01 -1.26 -4.83 113.70 115.75 1x4t s SER 87 Ca 0.31 -2.23 0.00 0.00 1.31 0.00 0.00 55.95 55.34 1x4t s SER 87 Cb -0.20 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1x4t s SER 87 CO 0.21 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1x4t n GLY 88 N 4.12 -0.36 0.00 3.44 0.00 -1.26 -3.60 105.19 107.54 1x4t n GLY 88 Ca 0.03 -1.11 0.07 0.00 0.00 0.00 0.00 46.02 45.01 1x4t n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4t n PRO 89 N 0.88 0.05 -2.97 1.61 -0.04 -1.26 -4.89 135.00 128.38 1x4t n PRO 89 Ca 0.00 0.23 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1x4t n PRO 89 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1x4t n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4t n SER 90 N -1.45 -3.33 0.05 3.54 2.88 -1.24 -4.95 113.62 109.12 1x4t n SER 90 Ca 0.04 -0.49 -0.17 0.00 -1.33 0.00 0.00 58.87 56.92 1x4t n SER 90 Cb 0.16 -3.98 -0.08 0.00 -0.75 0.00 0.00 64.21 59.56 1x4t n SER 90 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x4t h SER 91 N -1.19 0.75 0.00 -3.46 0.02 -1.90 -3.51 113.55 104.26 1x4t h SER 91 Ca -0.45 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 59.91 1x4t h SER 91 Cb 1.24 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1x4t h SER 91 CO 0.36 1.39 0.00 0.61 -1.14 0.00 0.00 176.83 178.05