#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 -0.58 -0.04 1.61 0.15 -1.26 -5.18 113.70 108.41 1x4t s SER 2 Ca 0.00 0.33 -0.06 0.00 0.70 0.00 0.00 55.95 56.93 1x4t s SER 2 Cb 0.00 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 1x4t s SER 2 CO 0.00 -0.76 0.15 -0.55 1.20 0.00 0.00 173.24 173.27 1x4t s SER 3 N -1.93 -0.12 0.53 5.45 0.15 -1.26 -5.14 113.70 111.38 1x4t s SER 3 Ca -0.05 0.19 -0.21 0.00 0.70 0.00 0.00 55.95 56.58 1x4t s SER 3 Cb -0.01 0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 64.52 1x4t s SER 3 CO -0.01 -0.12 0.98 0.61 1.20 0.00 0.00 173.24 175.90 1x4t n GLY 4 N 2.67 -0.28 3.21 9.45 0.00 -1.26 -5.02 105.19 113.96 1x4t n GLY 4 Ca -0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1x4t n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4t s SER 5 N -1.02 0.18 -0.11 1.61 0.15 -1.26 -5.15 113.70 108.10 1x4t s SER 5 Ca 0.70 -0.78 -0.17 0.00 0.70 0.00 0.00 55.95 56.40 1x4t s SER 5 Cb -0.47 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1x4t s SER 5 CO 0.52 -0.74 0.43 -0.44 1.20 0.00 0.00 173.24 174.21 1x4t s SER 6 N -2.90 6.66 -0.07 5.45 0.01 -1.26 -4.74 113.70 116.85 1x4t s SER 6 Ca 0.09 0.78 -0.03 0.00 1.31 0.00 0.00 55.95 58.10 1x4t s SER 6 Cb 0.05 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 64.03 1x4t s SER 6 CO -0.08 0.08 0.06 0.61 0.41 0.00 0.00 173.24 174.31 1x4t n GLY 7 N 3.04 -3.58 3.77 3.44 0.00 -1.26 -4.98 105.19 105.62 1x4t n GLY 7 Ca -0.09 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1x4t n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4t s LYS 8 N -0.79 3.78 0.28 1.61 -0.14 -1.26 -5.00 119.74 118.22 1x4t s LYS 8 Ca -0.07 2.03 -0.22 0.00 -1.36 0.00 0.00 55.97 56.36 1x4t s LYS 8 Cb 0.00 -2.57 -0.09 0.00 -1.68 0.00 0.00 37.83 33.49 1x4t s LYS 8 CO 0.25 -0.61 0.83 0.14 -0.76 0.00 0.00 175.35 175.20 1x4t s VAL 9 N -1.36 4.42 -0.16 3.17 -7.23 -1.26 -5.06 120.40 112.91 1x4t s VAL 9 Ca 0.61 1.50 -0.08 0.00 -1.81 0.00 0.00 61.98 62.20 1x4t s VAL 9 Cb -0.35 -3.89 -0.04 0.00 0.56 0.00 0.00 36.38 32.65 1x4t s VAL 9 CO 0.44 0.12 0.13 -0.54 -0.31 0.00 0.00 175.10 174.94 1x4t s LYS 10 N -2.14 3.84 0.24 4.82 -0.14 -1.26 -5.10 119.74 120.00 1x4t s LYS 10 Ca 0.48 -0.19 -0.07 0.00 -1.36 0.00 0.00 55.97 54.82 1x4t s LYS 10 Cb -0.17 -3.30 -0.06 0.00 -1.68 0.00 0.00 37.83 32.62 1x4t s LYS 10 CO 0.21 0.51 0.53 -2.00 -0.76 0.00 0.00 175.35 173.84 1x4t s GLU 11 N -0.25 3.72 -0.03 1.68 2.56 -1.26 -5.07 118.70 120.05 1x4t s GLU 11 Ca 0.11 0.14 -0.23 0.00 0.00 0.00 0.00 54.97 54.99 1x4t s GLU 11 Cb -0.11 -2.67 -0.04 0.00 2.00 0.00 0.00 34.13 33.30 1x4t s GLU 11 CO 0.01 0.30 0.68 0.50 -0.56 0.00 0.00 175.26 176.19 1x4t s ARG 12 N -3.05 4.42 0.41 4.30 3.00 -1.26 -5.03 118.95 121.73 1x4t s ARG 12 Ca 0.45 0.87 -0.27 0.00 -1.00 0.00 0.00 55.73 55.79 1x4t s ARG 12 Cb -0.11 -3.40 -0.09 0.00 0.00 0.00 0.00 34.95 31.34 1x4t s ARG 12 CO 0.25 0.19 1.39 0.50 0.00 0.00 0.00 175.30 177.63 1x4t s ARG 13 N 0.37 3.95 0.00 5.12 3.52 -1.26 -5.02 118.95 125.63 1x4t s ARG 13 Ca 0.36 2.36 0.00 0.00 -0.13 0.00 0.00 55.73 58.32 1x4t s ARG 13 Cb -0.18 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1x4t s ARG 13 CO 0.19 -0.58 0.00 -0.35 -0.81 0.00 0.00 175.30 173.74 1x4t n PRO 14 N 0.17 0.10 0.00 5.12 -0.04 -1.26 -5.04 135.00 134.05 1x4t n PRO 14 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1x4t n PRO 14 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.41 0.00 -3.77 0.54 7.35 -1.26 -4.97 117.46 113.95 1x4t n PHE 15 Ca 0.00 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.33 1x4t n PHE 15 Cb 0.00 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.72 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 -2.75 5.20 0.50 -2.13 1.43 -1.26 -4.95 118.68 114.72 1x4t s LEU 16 Ca 0.00 -1.96 0.31 0.00 -1.03 0.00 0.00 54.13 51.45 1x4t s LEU 16 Cb 0.00 -1.84 1.42 0.00 0.03 0.00 0.00 46.19 45.80 1x4t s LEU 16 CO 0.00 -0.54 1.79 0.00 0.23 0.00 0.00 176.35 177.84 1x4t h ALA 17 N 8.08 2.84 -0.08 4.21 0.00 -1.93 0.75 119.26 133.13 1x4t h ALA 17 Ca -0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1x4t h ALA 17 Cb 1.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1x4t h ALA 17 CO 0.70 -1.20 -0.26 0.66 0.00 0.00 0.00 179.25 179.14 1x4t h SER 18 N 0.12 0.14 -0.23 0.00 4.64 -1.95 -2.79 113.55 113.47 1x4t h SER 18 Ca 0.57 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.68 1x4t h SER 18 Cb 2.03 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1x4t h SER 18 CO -0.10 0.41 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.44 1x4t h GLU 19 N 0.13 0.81 -0.56 4.77 4.39 0.10 -3.22 114.58 121.00 1x4t h GLU 19 Ca 0.02 -0.48 0.11 0.00 0.34 0.00 0.00 59.36 59.35 1x4t h GLU 19 Cb 0.54 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.12 1x4t h GLU 19 CO 0.04 1.11 -0.19 0.00 -1.16 0.00 0.00 179.01 178.81 1x4t n THR 21 N -5.42 -0.88 -3.78 0.00 -2.24 -1.22 -4.93 114.28 95.81 1x4t n THR 21 Ca 0.06 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 1x4t n THR 21 Cb 0.32 -1.76 -0.17 0.00 -2.10 0.00 0.00 70.33 66.61 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 -5.75 0.46 0.02 -0.78 0.41 -1.26 -5.04 118.70 106.75 1x4t s GLU 22 Ca 0.29 0.15 -0.25 0.00 -0.41 0.00 0.00 54.97 54.76 1x4t s GLU 22 Cb -0.15 -0.83 -0.18 0.00 -1.78 0.00 0.00 34.13 31.18 1x4t s GLU 22 CO 0.36 -0.28 1.42 1.25 -0.49 0.00 0.00 175.26 177.52 1x4t h LEU 23 N 8.21 -0.07 0.00 1.80 5.85 -1.92 -2.34 115.31 126.84 1x4t h LEU 23 Ca -0.21 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1x4t h LEU 23 Cb 1.13 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1x4t h LEU 23 CO 0.26 0.23 0.00 -0.81 -0.34 0.00 0.00 178.44 177.79 1x4t n PRO 24 N -4.99 0.12 -0.02 5.25 -0.04 -1.26 -2.66 135.00 131.40 1x4t n PRO 24 Ca -0.08 0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1x4t n PRO 24 Cb 0.18 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.72 0.22 0.54 4.76 -1.06 -3.96 118.16 118.00 1x4t n LYS 25 Ca 0.05 0.25 0.10 0.00 -2.87 0.00 0.00 58.31 55.84 1x4t n LYS 25 Cb 0.14 -1.70 0.38 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.27 0.96 0.00 7.82 0.00 -1.19 -2.17 119.26 124.95 1x4t h ALA 26 Ca -0.42 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.17 1x4t h ALA 26 Cb 2.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1x4t h ALA 26 CO 0.07 0.25 -0.63 0.93 0.00 0.00 0.00 179.25 179.87 1x4t h GLU 27 N 0.00 0.00 0.03 0.00 5.08 -1.67 -2.11 114.58 115.91 1x4t h GLU 27 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1x4t h GLU 27 Cb 0.85 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1x4t h GLU 27 CO 0.03 0.63 -1.66 1.57 -1.00 0.00 0.00 179.01 178.58 1x4t h LYS 28 N 0.00 0.06 0.00 2.33 2.10 -1.65 -3.33 116.57 116.09 1x4t h LYS 28 Ca -0.01 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1x4t h LYS 28 Cb 1.15 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1x4t h LYS 28 CO 0.08 0.71 -0.09 -1.49 -2.00 0.00 0.00 179.45 176.66 1x4t h TRP 29 N 0.02 0.00 0.17 0.07 -0.00 -1.39 -3.08 115.95 111.73 1x4t h TRP 29 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.61 1x4t h TRP 29 Cb 1.99 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.15 1x4t h TRP 29 CO 0.02 0.09 -0.08 -0.09 -0.00 0.00 0.00 178.44 178.38 1x4t h ARG 30 N 0.00 -0.22 0.00 0.49 2.43 -1.49 -2.95 114.38 112.64 1x4t h ARG 30 Ca -0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1x4t h ARG 30 Cb 0.83 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1x4t h ARG 30 CO 0.01 0.21 -0.00 0.07 -1.51 0.00 0.00 179.97 178.75 1x4t h ARG 31 N -0.82 0.00 -0.41 0.20 0.11 -1.66 -1.75 114.38 110.03 1x4t h ARG 31 Ca -0.02 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.95 1x4t h ARG 31 Cb 0.53 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 1x4t h ARG 31 CO 0.04 0.00 -0.15 0.37 0.10 0.00 0.00 179.97 180.33 1x4t h GLN 32 N 0.00 0.84 -0.18 0.08 -0.00 -1.52 -2.58 115.11 111.74 1x4t h GLN 32 Ca -0.00 -0.35 -0.07 0.00 -0.00 0.00 0.00 58.65 58.23 1x4t h GLN 32 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.45 1x4t h GLN 32 CO 0.00 0.98 -0.17 0.82 0.00 0.00 0.00 178.83 180.46 1x4t h ILE 33 N 0.65 1.33 -0.93 2.39 2.04 -1.16 -3.12 117.51 118.72 1x4t h ILE 33 Ca 0.10 -1.32 0.11 0.00 1.00 0.00 0.00 64.86 64.75 1x4t h ILE 33 Cb 0.70 1.80 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 1x4t h ILE 33 CO 0.05 0.40 0.59 0.40 0.00 0.00 0.00 178.15 179.59 1x4t h ILE 34 N 0.09 0.93 -0.15 -0.67 2.04 -1.41 -0.26 117.51 118.07 1x4t h ILE 34 Ca 0.03 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1x4t h ILE 34 Cb 0.70 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1x4t h ILE 34 CO 0.04 0.16 -0.11 1.23 0.00 0.00 0.00 178.15 179.47 1x4t h GLY 35 N 0.88 0.26 0.93 5.37 0.00 -1.40 -2.41 103.07 106.69 1x4t h GLY 35 Ca 0.45 -0.15 -0.19 0.00 0.00 0.00 0.00 47.33 47.44 1x4t h GLY 35 CO -0.21 0.14 -0.72 0.83 0.00 0.00 0.00 176.54 176.59 1x4t h GLU 36 N 0.23 0.52 0.52 4.80 5.08 -1.03 -2.72 114.58 121.97 1x4t h GLU 36 Ca 0.05 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1x4t h GLU 36 Cb 0.35 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1x4t h GLU 36 CO 0.02 1.17 -0.36 0.82 -1.00 0.00 0.00 179.01 179.65 1x4t h ILE 37 N 0.09 0.26 -0.31 3.13 2.04 -1.14 -1.58 117.51 119.99 1x4t h ILE 37 Ca -0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1x4t h ILE 37 Cb 1.40 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1x4t h ILE 37 CO 0.14 0.00 0.03 -1.28 0.00 0.00 0.00 178.15 177.05 1x4t h SER 38 N -0.85 -0.05 -0.99 1.72 0.87 -1.56 0.18 113.55 112.87 1x4t h SER 38 Ca -0.06 0.06 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 1x4t h SER 38 Cb 0.71 0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 62.66 1x4t h SER 38 CO 0.03 0.01 0.60 0.11 -0.53 0.00 0.00 176.83 177.05 1x4t h LYS 39 N 0.13 0.77 0.03 2.24 1.79 -1.33 0.24 116.57 120.44 1x4t h LYS 39 Ca 0.15 -0.05 -0.22 0.00 -2.18 0.00 0.00 60.65 58.35 1x4t h LYS 39 Cb 0.18 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1x4t h LYS 39 CO -0.22 0.51 -0.98 0.87 -1.08 0.00 0.00 179.45 178.55 1x4t h LYS 40 N 0.79 0.29 -0.91 3.15 1.57 -0.32 -3.26 116.57 117.88 1x4t h LYS 40 Ca 0.56 -0.35 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1x4t h LYS 40 Cb 0.82 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 1x4t h LYS 40 CO -0.37 1.07 0.59 0.28 -0.57 0.00 0.00 179.45 180.45 1x4t h VAL 41 N 0.15 1.16 -0.72 0.50 2.07 0.13 -2.26 116.25 117.28 1x4t h VAL 41 Ca -0.08 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1x4t h VAL 41 Cb 1.64 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1x4t h VAL 41 CO 0.16 0.21 0.46 0.00 0.02 0.00 0.00 177.57 178.42 1x4t h ALA 42 N 1.37 0.94 0.00 1.67 0.00 -1.33 -0.82 119.26 121.09 1x4t h ALA 42 Ca 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1x4t h ALA 42 Cb -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1x4t h ALA 42 CO -0.11 0.26 -0.08 1.96 0.00 0.00 0.00 179.25 181.28 1x4t h GLN 43 N 0.91 0.00 0.10 0.00 4.20 -1.49 -1.99 115.11 116.84 1x4t h GLN 43 Ca 0.28 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.72 1x4t h GLN 43 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1x4t h GLN 43 CO -0.10 0.08 -1.30 0.82 -0.67 0.00 0.00 178.83 177.67 1x4t h ILE 44 N 0.00 1.42 0.00 2.54 1.08 -0.88 -3.29 117.51 118.38 1x4t h ILE 44 Ca -0.00 -3.04 -0.10 0.00 -0.39 0.00 0.00 64.86 61.33 1x4t h ILE 44 Cb 0.24 2.86 -0.01 0.00 -3.07 0.00 0.00 36.82 36.84 1x4t h ILE 44 CO 0.01 0.87 -0.45 1.56 -0.69 0.00 0.00 178.15 179.45 1x4t h GLN 45 N 0.06 0.00 -0.10 2.37 1.08 -0.65 -3.01 115.11 114.86 1x4t h GLN 45 Ca -0.15 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 1x4t h GLN 45 Cb 1.95 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.37 1x4t h GLN 45 CO 0.18 0.45 -0.19 -0.91 -0.95 0.00 0.00 178.83 177.41 1x4t h ASN 46 N 0.00 0.16 -6.99 1.46 2.35 -1.45 -3.46 115.58 107.65 1x4t h ASN 46 Ca -0.00 -0.04 -0.59 0.00 -0.55 0.00 0.00 56.30 55.12 1x4t h ASN 46 Cb 1.00 -0.04 -0.16 0.00 0.05 0.00 0.00 38.32 39.16 1x4t h ASN 46 CO 0.06 0.36 -0.93 0.00 -1.65 0.00 0.00 177.43 175.27 1x4t n ALA 47 N -2.49 -2.08 -2.37 -0.83 0.00 -1.14 -4.81 120.51 106.80 1x4t n ALA 47 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 1x4t n ALA 47 Cb 0.29 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.42 1.10 0.00 0.00 0.00 -1.26 -4.88 105.19 97.73 1x4t n GLY 48 Ca -0.27 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.25 0.01 0.00 0.99 4.77 -1.26 -5.12 117.00 116.14 1x4t n LEU 49 Ca -0.13 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1x4t n LEU 49 Cb 0.87 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1x4t n LEU 49 CO -0.09 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1x4t n GLY 50 N 1.64 2.88 0.35 -0.72 0.00 -1.26 -4.56 105.19 103.53 1x4t n GLY 50 Ca 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 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 1.19 -0.33 -0.32 1.61 1.02 -1.26 0.14 120.64 122.68 1x4t n GLU 51 Ca 0.00 1.29 0.22 0.00 -0.02 0.00 0.00 57.16 58.65 1x4t n GLU 51 Cb 0.00 -1.91 0.43 0.00 -0.02 0.00 0.00 31.44 29.94 1x4t n GLU 51 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1x4t h PHE 52 N 0.00 0.59 0.40 -0.32 -0.00 -2.00 0.34 116.94 115.96 1x4t h PHE 52 Ca 0.18 0.05 -0.02 0.00 -0.00 0.00 0.00 57.97 58.18 1x4t h PHE 52 Cb 0.39 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 36.24 1x4t h PHE 52 CO -0.84 -0.31 -0.19 0.00 -0.00 0.00 0.00 178.31 176.96 1x4t h ARG 53 N 0.15 -0.52 -1.26 6.09 2.47 0.97 -2.32 114.38 119.95 1x4t h ARG 53 Ca 0.70 0.04 0.37 0.00 -1.26 0.00 0.00 59.98 59.83 1x4t h ARG 53 Cb 1.62 0.12 -0.09 0.00 -1.65 0.00 0.00 29.97 29.97 1x4t h ARG 53 CO -0.72 -0.25 0.86 0.82 0.56 0.00 0.00 179.97 181.24 1x4t h ILE 54 N -1.05 0.32 0.05 2.04 5.03 0.17 0.13 117.51 124.19 1x4t h ILE 54 Ca -0.06 -0.05 -0.00 0.00 -0.12 0.00 0.00 64.86 64.63 1x4t h ILE 54 Cb 0.51 0.16 0.00 0.00 -3.03 0.00 0.00 36.82 34.46 1x4t h ILE 54 CO 0.09 0.03 -0.02 0.03 -0.68 0.00 0.00 178.15 177.60 1x4t h ARG 55 N 0.15 -0.06 -0.20 2.37 2.47 -0.97 -1.01 114.38 117.13 1x4t h ARG 55 Ca 0.69 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.47 1x4t h ARG 55 Cb 2.28 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 30.61 1x4t h ARG 55 CO -0.21 0.54 0.17 0.22 0.56 0.00 0.00 179.97 181.25 1x4t h ASP 56 N -0.74 0.00 0.00 7.04 3.58 -0.26 0.23 116.42 126.27 1x4t h ASP 56 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1x4t h ASP 56 Cb 0.63 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 1x4t h ASP 56 CO 0.01 0.00 -0.08 -0.07 -2.88 0.00 0.00 179.24 176.22 1x4t h LEU 57 N 0.00 0.00 -2.64 2.28 3.38 -1.00 -3.23 115.31 114.10 1x4t h LEU 57 Ca 0.09 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1x4t h LEU 57 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1x4t h LEU 57 CO -0.00 0.55 0.08 -0.55 0.09 0.00 0.00 178.44 178.61 1x4t h ASN 58 N -1.00 0.00 -0.29 -0.43 7.08 -1.01 -0.82 115.58 119.11 1x4t h ASN 58 Ca -0.00 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.04 1x4t h ASN 58 Cb 0.10 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.34 1x4t h ASN 58 CO -0.00 0.00 -0.52 -0.78 -2.08 0.00 0.00 177.43 174.05 1x4t h ASP 59 N 0.00 0.96 0.42 6.14 3.58 -0.66 -3.24 116.42 123.62 1x4t h ASP 59 Ca 0.01 -0.53 -0.26 0.00 0.42 0.00 0.00 57.03 56.67 1x4t h ASP 59 Cb 0.18 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 40.96 1x4t h ASP 59 CO -0.00 1.31 -1.13 -0.33 -2.88 0.00 0.00 179.24 176.21 1x4t h GLU 60 N 0.65 0.39 -0.48 0.28 4.39 -1.21 -3.33 114.58 115.28 1x4t h GLU 60 Ca 0.02 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.23 1x4t h GLU 60 Cb 1.13 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.90 1x4t h GLU 60 CO 0.12 1.21 -0.31 0.82 -1.16 0.00 0.00 179.01 179.69 1x4t h ILE 61 N 0.17 0.00 -0.35 3.13 1.08 -1.32 0.85 117.51 121.07 1x4t h ILE 61 Ca -0.13 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.42 1x4t h ILE 61 Cb 1.81 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.48 1x4t h ILE 61 CO 0.20 0.00 -0.26 0.78 -0.69 0.00 0.00 178.15 178.18 1x4t h ASN 62 N -0.04 -0.86 -1.02 1.72 2.35 -1.71 0.59 115.58 116.62 1x4t h ASN 62 Ca 0.08 0.16 0.26 0.00 -0.55 0.00 0.00 56.30 56.25 1x4t h ASN 62 Cb 0.23 0.42 -0.12 0.00 0.05 0.00 0.00 38.32 38.91 1x4t h ASN 62 CO -0.47 -0.28 0.62 0.11 -1.65 0.00 0.00 177.43 175.76 1x4t h LYS 63 N -0.21 0.50 -0.35 0.81 1.79 -1.23 0.33 116.57 118.20 1x4t h LYS 63 Ca 0.17 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.47 1x4t h LYS 63 Cb 0.48 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1x4t h LYS 63 CO -0.48 0.33 -0.33 -0.07 -1.08 0.00 0.00 179.45 177.82 1x4t h LEU 64 N 0.51 0.83 -0.21 2.94 3.38 0.13 -3.17 115.31 119.73 1x4t h LEU 64 Ca 0.64 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1x4t h LEU 64 Cb 1.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1x4t h LEU 64 CO -0.42 1.09 0.11 0.25 0.09 0.00 0.00 178.44 179.56 1x4t h LEU 65 N 0.67 0.27 -0.48 1.67 5.85 0.59 -2.96 115.31 120.92 1x4t h LEU 65 Ca 0.07 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.78 1x4t h LEU 65 Cb 0.88 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 1x4t h LEU 65 CO 0.08 0.29 -0.27 0.03 -0.34 0.00 0.00 178.44 178.23 1x4t h ARG 66 N 0.23 -0.16 -0.88 1.25 3.08 -1.25 0.21 114.38 116.86 1x4t h ARG 66 Ca 0.07 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.30 1x4t h ARG 66 Cb 0.09 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1x4t h ARG 66 CO -0.01 -0.11 0.57 1.49 -1.07 0.00 0.00 179.97 180.85 1x4t h GLU 67 N -0.16 0.58 -0.55 0.04 4.57 -1.52 -0.49 114.58 117.05 1x4t h GLU 67 Ca 0.21 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.31 1x4t h GLU 67 Cb 0.51 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1x4t h GLU 67 CO -0.58 0.38 0.15 -0.22 -1.18 0.00 0.00 179.01 177.57 1x4t h LYS 68 N 0.60 0.87 -0.28 1.92 3.64 -0.45 -1.50 116.57 121.37 1x4t h LYS 68 Ca 0.45 -0.20 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1x4t h LYS 68 Cb 0.85 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1x4t h LYS 68 CO -0.20 0.81 0.31 0.78 -2.27 0.00 0.00 179.45 178.88 1x4t h GLY 69 N 0.77 0.00 0.42 5.01 0.00 -0.24 0.67 103.07 109.70 1x4t h GLY 69 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.16 1x4t h GLY 69 CO -0.00 0.00 -1.89 1.42 0.00 0.00 0.00 176.54 176.07 1x4t n HIS 70 N -3.73 1.08 0.02 5.60 8.25 -0.94 -3.98 115.22 121.53 1x4t n HIS 70 Ca 0.04 0.28 -0.01 0.00 -0.26 0.00 0.00 57.72 57.77 1x4t n HIS 70 Cb 0.46 -1.13 -0.00 0.00 1.12 0.00 0.00 29.99 30.43 1x4t n HIS 70 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1x4t h TRP 71 N -0.20 -0.06 -1.00 4.41 4.06 -0.50 0.34 115.95 123.00 1x4t h TRP 71 Ca -0.43 -0.00 0.29 0.00 2.06 0.00 0.00 58.89 60.81 1x4t h TRP 71 Cb 1.85 0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 29.99 1x4t h TRP 71 CO 0.07 -0.04 1.15 0.93 -3.56 0.00 0.00 178.44 176.99 1x4t h GLU 72 N -0.10 0.00 0.10 0.49 5.08 -1.15 0.90 114.58 119.91 1x4t h GLU 72 Ca -0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1x4t h GLU 72 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1x4t h GLU 72 CO 0.01 0.00 -1.76 0.28 -1.00 0.00 0.00 179.01 176.54 1x4t h VAL 73 N 0.00 0.74 -0.37 3.13 2.07 -1.67 -3.16 116.25 116.99 1x4t h VAL 73 Ca 0.48 -2.32 0.11 0.00 0.82 0.00 0.00 66.70 65.79 1x4t h VAL 73 Cb 2.76 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 34.98 1x4t h VAL 73 CO -0.01 0.74 0.28 -0.09 0.02 0.00 0.00 177.57 178.51 1x4t h ARG 74 N -0.22 0.00 -0.51 1.57 9.65 0.50 -0.23 114.38 125.14 1x4t h ARG 74 Ca -0.39 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.38 1x4t h ARG 74 Cb 1.84 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.40 1x4t h ARG 74 CO 0.02 0.00 -0.10 0.82 2.80 0.00 0.00 179.97 183.50 1x4t h ILE 75 N 0.00 1.26 0.01 1.20 2.04 -1.43 -2.72 117.51 117.88 1x4t h ILE 75 Ca 0.18 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1x4t h ILE 75 Cb 0.73 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1x4t h ILE 75 CO -0.00 0.43 -0.00 0.50 0.00 0.00 0.00 178.15 179.07 1x4t h LYS 76 N 0.84 -0.01 0.00 2.37 3.64 -1.23 0.47 116.57 122.65 1x4t h LYS 76 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1x4t h LYS 76 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1x4t h LYS 76 CO 0.04 0.71 0.19 0.93 -2.27 0.00 0.00 179.45 179.06 1x4t h GLU 77 N -0.75 0.00 0.00 1.90 5.08 -1.27 0.35 114.58 119.89 1x4t h GLU 77 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1x4t h GLU 77 Cb 0.73 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1x4t h GLU 77 CO 0.00 0.00 -1.78 1.28 -1.00 0.00 0.00 179.01 177.52 1x4t n LEU 78 N -2.32 0.54 0.00 1.33 4.77 -1.03 -4.97 117.00 115.32 1x4t n LEU 78 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1x4t n LEU 78 Cb 0.22 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1x4t n LEU 78 CO 0.09 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1x4t n GLY 79 N 1.49 1.12 0.00 -0.72 0.00 0.12 -5.01 105.19 102.19 1x4t n GLY 79 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.26 3.72 -0.02 0.00 0.16 -4.98 105.19 105.34 1x4t n GLY 80 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 2.20 4.35 -0.61 1.61 0.04 -1.26 -4.40 135.00 136.93 1x4t s PRO 81 Ca 0.00 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 1x4t s PRO 81 Cb 0.00 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1x4t s PRO 81 CO 0.00 -0.37 1.17 0.16 0.04 0.00 0.00 177.00 178.00 1x4t s ASP 82 N 0.90 6.38 -0.13 6.66 1.47 -1.26 -4.02 116.67 126.67 1x4t s ASP 82 Ca 0.62 -0.07 0.14 0.00 1.18 0.00 0.00 52.55 54.42 1x4t s ASP 82 Cb -0.36 -2.54 -0.24 0.00 -0.34 0.00 0.00 42.92 39.44 1x4t s ASP 82 CO 0.32 -1.52 0.35 -1.22 0.68 0.00 0.00 175.17 173.78 1x4t n TYR 83 N 8.48 0.50 -0.03 2.11 4.01 -1.20 -4.25 117.16 126.78 1x4t n TYR 83 Ca 0.06 0.18 -0.11 0.00 -0.16 0.00 0.00 57.90 57.87 1x4t n TYR 83 Cb 0.49 -1.09 -0.06 0.00 -0.31 0.00 0.00 39.34 38.37 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 3.62 0.21 0.13 2.72 0.00 -1.87 -0.25 103.07 107.63 1x4t h GLY 84 Ca -0.42 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 46.87 1x4t h GLY 84 CO 0.05 0.12 -0.10 1.70 0.00 0.00 0.00 176.54 178.31 1x4t h LYS 85 N 0.01 0.01 -0.94 4.80 3.64 -1.90 -1.42 116.57 120.78 1x4t h LYS 85 Ca 0.04 -0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.79 1x4t h LYS 85 Cb 0.23 -0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 31.74 1x4t h LYS 85 CO -0.00 0.01 0.56 1.33 -2.27 0.00 0.00 179.45 179.08 1x4t n VAL 86 N -5.32 3.39 -1.71 2.00 0.24 -1.18 -4.68 118.33 111.07 1x4t n VAL 86 Ca 0.03 -3.05 -0.58 0.00 -2.04 0.00 0.00 64.34 58.71 1x4t n VAL 86 Cb 0.24 -1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 31.46 1x4t n VAL 86 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1x4t n SER 87 N -0.91 2.32 -1.31 -1.34 2.88 -0.11 -4.48 113.62 110.67 1x4t n SER 87 Ca 0.59 1.08 0.18 0.00 -1.33 0.00 0.00 58.87 59.39 1x4t n SER 87 Cb 0.80 -1.13 -0.05 0.00 -0.75 0.00 0.00 64.21 63.09 1x4t n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4t n GLY 88 N 4.17 -1.96 0.20 0.46 0.00 -1.26 -2.98 105.19 103.83 1x4t n GLY 88 Ca 0.27 -1.18 0.15 0.00 0.00 0.00 0.00 46.02 45.25 1x4t n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4t h PRO 89 N -1.22 0.00 -0.40 1.61 0.13 -2.01 -3.08 132.00 127.03 1x4t h PRO 89 Ca 0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1x4t h PRO 89 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1x4t h PRO 89 CO 0.01 0.00 0.07 0.77 -0.23 0.00 0.00 178.00 178.63 1x4t h SER 90 N 0.00 0.63 -6.83 1.44 0.02 -1.89 -3.46 113.55 103.45 1x4t h SER 90 Ca 0.00 -0.25 -0.57 0.00 -0.84 0.00 0.00 61.79 60.13 1x4t h SER 90 Cb 0.42 -0.17 -0.19 0.00 0.14 0.00 0.00 62.40 62.60 1x4t h SER 90 CO 0.00 0.72 -0.90 -1.20 -1.14 0.00 0.00 176.83 174.31 1x4t n SER 91 N -4.53 -1.03 0.00 3.07 7.64 -1.16 -5.06 113.62 112.55 1x4t n SER 91 Ca -0.01 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1x4t n SER 91 Cb 0.23 -2.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 1x4t n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64