#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t n SER 2 N 0.00 -4.87 -4.48 1.61 2.88 -1.26 -4.84 113.62 102.66 1x4t n SER 2 Ca 0.00 -0.47 -0.48 0.00 -1.33 0.00 0.00 58.87 56.59 1x4t n SER 2 Cb 0.00 -4.36 -0.06 0.00 -0.75 0.00 0.00 64.21 59.03 1x4t n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4t n SER 3 N -2.44 2.28 -4.05 -3.46 7.64 -1.26 -4.91 113.62 107.42 1x4t n SER 3 Ca -0.05 0.31 -0.32 0.00 1.01 0.00 0.00 58.87 59.82 1x4t n SER 3 Cb 0.57 -1.32 -0.15 0.00 -1.01 0.00 0.00 64.21 62.30 1x4t n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4t s GLY 4 N 7.86 1.80 -0.30 0.23 0.00 -1.26 -5.06 107.32 110.59 1x4t s GLY 4 Ca 1.08 -2.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.53 1x4t s GLY 4 CO 0.45 0.78 0.76 -1.35 0.00 0.00 0.00 173.10 173.74 1x4t s SER 5 N 1.01 -0.94 -0.76 1.64 1.04 -1.26 -5.10 113.70 109.33 1x4t s SER 5 Ca 0.01 1.32 -0.25 0.00 0.48 0.00 0.00 55.95 57.51 1x4t s SER 5 Cb -0.20 1.99 -0.04 0.00 0.10 0.00 0.00 66.02 67.87 1x4t s SER 5 CO -0.06 -0.19 1.97 -0.55 0.98 0.00 0.00 173.24 175.39 1x4t s SER 6 N 2.57 5.07 1.09 7.02 0.15 -1.26 -4.95 113.70 123.38 1x4t s SER 6 Ca -0.06 -0.14 -0.15 0.00 0.70 0.00 0.00 55.95 56.30 1x4t s SER 6 Cb -0.09 -2.54 0.23 0.00 -1.71 0.00 0.00 66.02 61.90 1x4t s SER 6 CO -0.18 -2.69 0.51 0.61 1.20 0.00 0.00 173.24 172.68 1x4t n GLY 7 N 6.36 -2.75 3.88 9.45 0.00 -1.26 -4.97 105.19 115.91 1x4t n GLY 7 Ca 0.33 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.82 3.73 -0.12 1.61 -0.14 -1.26 -5.02 119.74 114.73 1x4t s LYS 8 Ca 0.40 0.16 -0.14 0.00 -1.36 0.00 0.00 55.97 55.02 1x4t s LYS 8 Cb -0.07 -2.68 -0.26 0.00 -1.68 0.00 0.00 37.83 33.14 1x4t s LYS 8 CO 0.34 0.32 0.47 -0.24 -0.76 0.00 0.00 175.35 175.48 1x4t h VAL 9 N 1.87 0.92 -1.11 3.17 3.04 -2.05 -3.43 116.25 118.66 1x4t h VAL 9 Ca -0.47 -2.36 -0.41 0.00 -1.01 0.00 0.00 66.70 62.46 1x4t h VAL 9 Cb 1.17 2.61 -0.06 0.00 -2.01 0.00 0.00 31.29 33.00 1x4t h VAL 9 CO 0.69 0.70 1.01 -0.75 -1.01 0.00 0.00 177.57 178.22 1x4t s LYS 10 N -2.48 2.82 0.13 4.17 2.47 -1.26 -4.96 119.74 120.63 1x4t s LYS 10 Ca -0.21 -0.31 0.04 0.00 -1.56 0.00 0.00 55.97 53.92 1x4t s LYS 10 Cb 0.05 -4.96 -0.04 0.00 -1.46 0.00 0.00 37.83 31.42 1x4t s LYS 10 CO 0.75 -2.96 0.16 -2.00 0.16 0.00 0.00 175.35 171.46 1x4t s GLU 11 N 6.52 3.07 0.11 4.03 2.56 -1.26 -5.11 118.70 128.62 1x4t s GLU 11 Ca 0.63 -0.73 -0.09 0.00 0.00 0.00 0.00 54.97 54.78 1x4t s GLU 11 Cb -0.06 -2.78 -0.06 0.00 2.00 0.00 0.00 34.13 33.23 1x4t s GLU 11 CO 0.02 0.52 0.42 0.50 -0.56 0.00 0.00 175.26 176.16 1x4t s ARG 12 N -2.92 3.76 0.34 4.30 6.06 -1.26 -5.07 118.95 124.15 1x4t s ARG 12 Ca 0.32 0.16 -0.27 0.00 -2.50 0.00 0.00 55.73 53.44 1x4t s ARG 12 Cb -0.11 -2.94 -0.09 0.00 0.06 0.00 0.00 34.95 31.87 1x4t s ARG 12 CO 0.25 0.52 1.08 0.50 -2.50 0.00 0.00 175.30 175.15 1x4t s ARG 13 N -2.10 4.41 0.00 5.12 3.52 -1.26 -5.05 118.95 123.59 1x4t s ARG 13 Ca 0.36 1.69 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 1x4t s ARG 13 Cb -0.13 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1x4t s ARG 13 CO 0.19 0.04 0.00 -0.35 -0.81 0.00 0.00 175.30 174.37 1x4t n PRO 14 N 0.62 0.26 0.00 5.12 -0.04 -1.26 -5.05 135.00 134.64 1x4t n PRO 14 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1x4t n PRO 14 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.25 0.00 -3.15 0.54 7.35 -1.26 -4.97 117.46 114.72 1x4t n PHE 15 Ca 0.00 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.24 1x4t n PHE 15 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 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 -3.80 5.62 0.57 -2.13 1.43 -1.26 -4.90 118.68 114.20 1x4t s LEU 16 Ca 0.00 -1.61 0.32 0.00 -1.03 0.00 0.00 54.13 51.81 1x4t s LEU 16 Cb 0.00 -2.28 1.42 0.00 0.03 0.00 0.00 46.19 45.35 1x4t s LEU 16 CO 0.00 -1.03 1.74 0.00 0.23 0.00 0.00 176.35 177.29 1x4t h ALA 17 N 9.02 2.76 -0.11 4.21 0.00 -1.94 0.50 119.26 133.70 1x4t h ALA 17 Ca -0.25 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1x4t h ALA 17 Cb 1.08 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1x4t h ALA 17 CO 1.07 -1.26 -0.85 0.66 0.00 0.00 0.00 179.25 178.86 1x4t h SER 18 N 0.00 0.92 -0.93 0.00 4.64 -1.96 -3.20 113.55 113.02 1x4t h SER 18 Ca 0.43 -0.64 0.16 0.00 -0.47 0.00 0.00 61.79 61.27 1x4t h SER 18 Cb 2.02 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 63.76 1x4t h SER 18 CO -0.00 1.44 0.60 -0.33 -0.87 0.00 0.00 176.83 177.66 1x4t h GLU 19 N 0.49 0.70 -6.12 4.77 5.08 -0.41 -3.33 114.58 115.75 1x4t h GLU 19 Ca -0.07 -0.04 -0.56 0.00 -1.00 0.00 0.00 59.36 57.68 1x4t h GLU 19 Cb 1.49 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 1x4t h GLU 19 CO 0.17 0.46 1.35 0.00 -1.00 0.00 0.00 179.01 179.99 1x4t n THR 21 N 6.88 0.59 -3.91 0.00 -2.24 -1.25 -4.79 114.28 109.56 1x4t n THR 21 Ca 0.27 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1x4t n THR 21 Cb 0.50 -0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.43 3.66 0.02 -0.78 8.01 -1.26 -5.00 118.70 121.92 1x4t s GLU 22 Ca 0.12 -0.49 -0.25 0.00 0.01 0.00 0.00 54.97 54.37 1x4t s GLU 22 Cb 0.09 -3.21 -0.18 0.00 -4.31 0.00 0.00 34.13 26.53 1x4t s GLU 22 CO 0.04 -0.06 1.42 1.25 0.01 0.00 0.00 175.26 177.92 1x4t h LEU 23 N 7.78 -0.07 0.00 1.80 5.85 -1.95 -1.92 115.31 126.80 1x4t h LEU 23 Ca -0.37 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1x4t h LEU 23 Cb 1.18 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1x4t h LEU 23 CO 0.60 0.24 0.00 -0.81 -0.34 0.00 0.00 178.44 178.13 1x4t n PRO 24 N -4.99 0.11 -0.04 5.25 -0.04 -1.26 -2.70 135.00 131.33 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 32.01 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 -1.39 0.71 0.26 0.54 4.76 -1.07 -3.89 118.16 118.08 1x4t n LYS 25 Ca 0.05 0.22 0.17 0.00 -2.87 0.00 0.00 58.31 55.88 1x4t n LYS 25 Cb 0.14 -1.65 0.64 0.00 -1.84 0.00 0.00 35.03 32.32 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 0.21 1.00 0.02 7.82 0.00 -1.14 -3.11 119.26 124.06 1x4t h ALA 26 Ca -0.46 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1x4t h ALA 26 Cb 2.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.81 1x4t h ALA 26 CO 0.03 0.00 -0.34 0.93 0.00 0.00 0.00 179.25 179.87 1x4t h GLU 27 N 0.00 0.20 -0.90 0.00 5.08 -1.69 -1.88 114.58 115.39 1x4t h GLU 27 Ca 0.00 -0.24 0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1x4t h GLU 27 Cb 0.52 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1x4t h GLU 27 CO 0.00 1.00 0.58 1.57 -1.00 0.00 0.00 179.01 181.17 1x4t h LYS 28 N -0.50 0.90 0.05 2.33 2.10 -1.66 -0.76 116.57 119.03 1x4t h LYS 28 Ca -0.05 -0.05 -0.23 0.00 -2.00 0.00 0.00 60.65 58.31 1x4t h LYS 28 Cb 1.14 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1x4t h LYS 28 CO 0.07 0.60 -1.04 -1.49 -2.00 0.00 0.00 179.45 175.59 1x4t h TRP 29 N 0.93 0.42 -0.52 0.07 -0.00 -1.62 -2.48 115.95 112.75 1x4t h TRP 29 Ca 0.41 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.89 59.01 1x4t h TRP 29 Cb 0.36 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 29.46 1x4t h TRP 29 CO -0.00 1.13 0.23 -0.09 -0.00 0.00 0.00 178.44 179.71 1x4t h ARG 30 N 0.12 0.77 -0.07 0.49 1.12 -0.41 -2.24 114.38 114.15 1x4t h ARG 30 Ca -0.08 -0.13 -0.19 0.00 -1.11 0.00 0.00 59.98 58.47 1x4t h ARG 30 Cb 1.71 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 31.54 1x4t h ARG 30 CO 0.17 0.66 -0.75 0.07 -3.11 0.00 0.00 179.97 177.01 1x4t h ARG 31 N 0.70 0.41 -0.88 0.20 0.11 -1.25 -3.11 114.38 110.56 1x4t h ARG 31 Ca 0.18 -0.34 0.03 0.00 0.10 0.00 0.00 59.98 59.94 1x4t h ARG 31 Cb 0.16 0.07 -0.05 0.00 1.11 0.00 0.00 29.97 31.27 1x4t h ARG 31 CO -0.02 0.99 0.57 0.37 0.10 0.00 0.00 179.97 181.98 1x4t h GLN 32 N 0.28 1.09 -0.25 0.08 4.15 -1.22 -2.37 115.11 116.87 1x4t h GLN 32 Ca -0.03 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1x4t h GLN 32 Cb 1.33 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1x4t h GLN 32 CO 0.13 0.72 0.06 0.82 -1.93 0.00 0.00 178.83 178.63 1x4t h ILE 33 N 1.12 1.21 -0.96 2.39 2.04 -1.40 -2.85 117.51 119.05 1x4t h ILE 33 Ca 0.34 -0.69 0.13 0.00 1.00 0.00 0.00 64.86 65.65 1x4t h ILE 33 Cb -0.03 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 1x4t h ILE 33 CO -0.11 0.22 0.61 0.40 0.00 0.00 0.00 178.15 179.28 1x4t h ILE 34 N 0.23 0.87 -0.24 -0.67 2.04 -1.40 -0.13 117.51 118.22 1x4t h ILE 34 Ca 0.08 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1x4t h ILE 34 Cb 0.28 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1x4t h ILE 34 CO 0.00 0.16 -0.14 1.23 0.00 0.00 0.00 178.15 179.40 1x4t h GLY 35 N 0.87 0.43 0.81 5.37 0.00 -1.21 -2.86 103.07 106.49 1x4t h GLY 35 Ca 0.49 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 1x4t h GLY 35 CO -0.25 0.27 -0.37 0.83 0.00 0.00 0.00 176.54 177.02 1x4t h GLU 36 N 0.37 0.47 -0.21 4.80 5.08 -0.87 -2.77 114.58 121.45 1x4t h GLU 36 Ca 0.07 -0.34 0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1x4t h GLU 36 Cb 0.48 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1x4t h GLU 36 CO 0.03 0.96 -0.18 0.82 -1.00 0.00 0.00 179.01 179.64 1x4t h ILE 37 N 0.06 0.51 0.67 3.13 2.04 -1.18 -2.07 117.51 120.66 1x4t h ILE 37 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1x4t h ILE 37 Cb 0.99 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1x4t h ILE 37 CO 0.08 0.00 -0.40 -1.28 0.00 0.00 0.00 178.15 176.55 1x4t h SER 38 N -0.19 -0.99 -1.30 1.72 0.87 -1.58 0.11 113.55 112.19 1x4t h SER 38 Ca 0.13 0.05 0.42 0.00 -1.23 0.00 0.00 61.79 61.16 1x4t h SER 38 Cb 0.38 0.28 -0.12 0.00 -0.44 0.00 0.00 62.40 62.50 1x4t h SER 38 CO -0.32 -0.62 0.84 0.11 -0.53 0.00 0.00 176.83 176.31 1x4t h LYS 39 N -1.00 0.10 0.13 2.24 1.79 -1.26 0.42 116.57 119.00 1x4t h LYS 39 Ca -0.08 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.20 1x4t h LYS 39 Cb 0.80 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.44 1x4t h LYS 39 CO 0.09 0.07 -0.82 0.87 -1.08 0.00 0.00 179.45 178.58 1x4t h LYS 40 N 0.11 0.28 -0.95 3.15 1.57 -0.79 -3.30 116.57 116.64 1x4t h LYS 40 Ca 0.80 -0.48 0.20 0.00 -1.87 0.00 0.00 60.65 59.30 1x4t h LYS 40 Cb 2.50 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 34.88 1x4t h LYS 40 CO -0.40 1.23 0.52 0.28 -0.57 0.00 0.00 179.45 180.51 1x4t h VAL 41 N -0.40 0.63 0.90 0.50 2.07 0.24 -2.14 116.25 118.05 1x4t h VAL 41 Ca -0.15 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1x4t h VAL 41 Cb 1.62 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1x4t h VAL 41 CO 0.14 0.11 -0.47 0.00 0.02 0.00 0.00 177.57 177.37 1x4t h ALA 42 N 1.66 -1.32 -1.22 1.67 0.00 -1.33 -1.64 119.26 117.08 1x4t h ALA 42 Ca 0.56 -0.27 0.35 0.00 0.00 0.00 0.00 54.91 55.55 1x4t h ALA 42 Cb 0.95 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 1x4t h ALA 42 CO -0.43 -1.25 0.83 1.96 0.00 0.00 0.00 179.25 180.37 1x4t h GLN 43 N -1.26 0.14 -0.06 0.00 4.20 -1.48 0.18 115.11 116.84 1x4t h GLN 43 Ca -0.12 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1x4t h GLN 43 Cb 0.98 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1x4t h GLN 43 CO 0.18 0.10 -0.08 0.82 -0.67 0.00 0.00 178.83 179.18 1x4t h ILE 44 N 0.15 1.39 -0.72 2.54 1.08 -0.95 -3.10 117.51 117.88 1x4t h ILE 44 Ca 0.65 -1.28 0.15 0.00 -0.39 0.00 0.00 64.86 63.99 1x4t h ILE 44 Cb 2.17 2.10 -0.05 0.00 -3.07 0.00 0.00 36.82 37.97 1x4t h ILE 44 CO -0.18 0.35 0.49 1.56 -0.69 0.00 0.00 178.15 179.68 1x4t h GLN 45 N -0.29 0.36 -0.73 2.37 1.08 0.29 -0.28 115.11 117.90 1x4t h GLN 45 Ca 0.01 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1x4t h GLN 45 Cb 0.60 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1x4t h GLN 45 CO 0.02 0.24 0.22 -0.91 -0.95 0.00 0.00 178.83 177.45 1x4t h ASN 46 N 0.37 1.07 -6.57 1.46 2.35 -1.34 -3.47 115.58 109.46 1x4t h ASN 46 Ca 0.35 -0.21 -0.52 0.00 -0.55 0.00 0.00 56.30 55.38 1x4t h ASN 46 Cb 0.86 -0.28 -0.10 0.00 0.05 0.00 0.00 38.32 38.85 1x4t h ASN 46 CO -0.10 1.00 -0.87 0.00 -1.65 0.00 0.00 177.43 175.81 1x4t n ALA 47 N -2.44 -1.76 -2.71 -0.83 0.00 -0.12 -4.86 120.51 107.78 1x4t n ALA 47 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1x4t n ALA 47 Cb 0.23 -2.19 0.05 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.82 1.58 0.00 0.00 0.00 -1.26 -4.83 105.19 98.85 1x4t n GLY 48 Ca -0.19 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.42 0.00 0.00 0.99 4.77 -1.26 -5.11 117.00 115.97 1x4t n LEU 49 Ca 0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1x4t n LEU 49 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1x4t n LEU 49 CO 0.01 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1x4t n GLY 50 N 2.28 3.71 0.28 -0.72 0.00 -1.26 -4.57 105.19 104.92 1x4t n GLY 50 Ca 0.00 -1.25 0.26 0.00 0.00 0.00 0.00 46.02 45.03 1x4t n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x4t n GLU 51 N 0.13 -0.04 0.04 1.61 4.07 -1.26 0.20 120.64 125.40 1x4t n GLU 51 Ca 0.00 0.96 -0.12 0.00 -0.06 0.00 0.00 57.16 57.93 1x4t n GLU 51 Cb 0.00 -1.79 -0.07 0.00 -0.06 0.00 0.00 31.44 29.52 1x4t n GLU 51 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 1x4t h PHE 52 N 0.00 -0.02 0.55 4.31 -1.00 -2.01 -2.70 116.94 116.08 1x4t h PHE 52 Ca 0.62 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.38 1x4t h PHE 52 Cb 1.82 0.01 0.01 0.00 3.61 0.00 0.00 35.95 41.39 1x4t h PHE 52 CO -0.01 0.05 -0.26 0.00 -1.61 0.00 0.00 178.31 176.48 1x4t h ARG 53 N -0.08 -0.71 -0.96 1.51 2.47 0.20 -2.55 114.38 114.26 1x4t h ARG 53 Ca -0.00 0.05 0.28 0.00 -1.26 0.00 0.00 59.98 59.05 1x4t h ARG 53 Cb 0.08 0.16 -0.18 0.00 -1.65 0.00 0.00 29.97 28.38 1x4t h ARG 53 CO 0.00 -0.41 0.08 -0.89 0.56 0.00 0.00 179.97 179.32 1x4t n ILE 54 N -5.33 -0.40 -0.04 2.04 -0.00 -0.66 0.66 119.36 115.63 1x4t n ILE 54 Ca -0.12 2.08 -0.12 0.00 -0.00 0.00 0.00 62.75 64.60 1x4t n ILE 54 Cb 0.33 -3.08 -0.06 0.00 -0.00 0.00 0.00 39.64 36.83 1x4t n ILE 54 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1x4t h ARG 55 N 0.00 0.25 0.00 0.38 2.47 -1.39 -1.39 114.38 114.70 1x4t h ARG 55 Ca 0.61 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.26 1x4t h ARG 55 Cb 1.31 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 1x4t h ARG 55 CO -0.88 0.44 0.17 -0.44 0.56 0.00 0.00 179.97 179.82 1x4t h ASP 56 N 0.02 0.00 0.00 7.04 3.32 0.66 0.48 116.42 127.94 1x4t h ASP 56 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1x4t h ASP 56 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1x4t h ASP 56 CO 0.00 0.00 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.03 1x4t h LEU 57 N 0.00 0.00 -2.09 1.55 3.38 -0.69 -3.34 115.31 114.11 1x4t h LEU 57 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1x4t h LEU 57 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1x4t h LEU 57 CO 0.00 0.67 -0.02 -0.55 0.09 0.00 0.00 178.44 178.62 1x4t h ASN 58 N -0.90 0.00 -0.91 -0.43 7.08 -1.02 -1.73 115.58 117.66 1x4t h ASN 58 Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 1x4t h ASN 58 Cb 0.43 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.62 1x4t h ASN 58 CO 0.00 0.02 0.52 -0.78 -2.08 0.00 0.00 177.43 175.11 1x4t h ASP 59 N 0.00 1.13 0.28 6.14 3.58 -0.23 -2.89 116.42 124.43 1x4t h ASP 59 Ca -0.00 -0.09 -0.31 0.00 0.42 0.00 0.00 57.03 57.05 1x4t h ASP 59 Cb 0.05 -0.29 0.03 0.00 1.72 0.00 0.00 39.33 40.84 1x4t h ASP 59 CO 0.00 0.89 -1.33 -0.33 -2.88 0.00 0.00 179.24 175.59 1x4t h GLU 60 N 1.27 0.52 -0.54 0.28 4.39 -1.46 -3.34 114.58 115.71 1x4t h GLU 60 Ca 0.32 -0.79 0.05 0.00 0.34 0.00 0.00 59.36 59.28 1x4t h GLU 60 Cb -0.00 0.28 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1x4t h GLU 60 CO -0.06 1.37 -0.32 -0.89 -1.16 0.00 0.00 179.01 177.95 1x4t n ILE 61 N -3.72 -0.37 -0.19 3.13 2.08 -0.78 0.35 119.36 119.87 1x4t n ILE 61 Ca -0.14 1.75 0.00 0.00 0.56 0.00 0.00 62.75 64.92 1x4t n ILE 61 Cb 1.03 -2.20 0.10 0.00 -0.75 0.00 0.00 39.64 37.82 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 0.07 -0.85 4.38 2.35 -1.71 0.11 115.58 119.93 1x4t h ASN 62 Ca 0.09 0.10 0.10 0.00 -0.55 0.00 0.00 56.30 56.03 1x4t h ASN 62 Cb 0.22 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 1x4t h ASN 62 CO -0.51 0.05 0.55 0.11 -1.65 0.00 0.00 177.43 175.98 1x4t h LYS 63 N 0.30 0.79 -0.08 0.81 1.79 -0.22 -1.01 116.57 118.96 1x4t h LYS 63 Ca 0.30 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.55 1x4t h LYS 63 Cb 0.42 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1x4t h LYS 63 CO -0.36 0.53 -0.64 -0.07 -1.08 0.00 0.00 179.45 177.83 1x4t h LEU 64 N 0.82 0.69 0.20 2.94 3.38 0.14 -3.27 115.31 120.22 1x4t h LEU 64 Ca 0.39 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1x4t h LEU 64 Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1x4t h LEU 64 CO -0.16 1.27 -0.23 0.25 0.09 0.00 0.00 178.44 179.65 1x4t h LEU 65 N 0.18 -0.63 -0.79 1.67 5.85 -0.12 -2.75 115.31 118.71 1x4t h LEU 65 Ca -0.06 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.86 1x4t h LEU 65 Cb 1.29 0.22 -0.14 0.00 0.37 0.00 0.00 40.66 42.41 1x4t h LEU 65 CO 0.13 -0.33 -0.33 0.03 -0.34 0.00 0.00 178.44 177.60 1x4t h ARG 66 N -0.48 -0.07 -0.55 1.25 3.08 -1.31 1.08 114.38 117.38 1x4t h ARG 66 Ca 0.01 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.21 1x4t h ARG 66 Cb 0.46 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1x4t h ARG 66 CO -0.08 -0.04 0.39 1.49 -1.07 0.00 0.00 179.97 180.66 1x4t h GLU 67 N -0.07 0.09 -0.34 0.04 4.57 -1.54 -0.86 114.58 116.47 1x4t h GLU 67 Ca 0.31 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.41 1x4t h GLU 67 Cb 0.58 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1x4t h GLU 67 CO -0.83 0.06 -0.07 -0.22 -1.18 0.00 0.00 179.01 176.77 1x4t h LYS 68 N 0.09 0.64 -0.10 1.92 3.64 0.14 -1.58 116.57 121.33 1x4t h LYS 68 Ca 0.26 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1x4t h LYS 68 Cb 0.92 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1x4t h LYS 68 CO -0.03 0.80 0.26 0.78 -2.27 0.00 0.00 179.45 179.00 1x4t h GLY 69 N 0.42 0.00 0.17 5.01 0.00 -0.49 0.36 103.07 108.54 1x4t h GLY 69 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.07 1x4t h GLY 69 CO 0.03 0.00 -1.94 1.42 0.00 0.00 0.00 176.54 176.05 1x4t n HIS 70 N -3.24 0.70 0.06 5.60 8.25 -1.04 -4.08 115.22 121.47 1x4t n HIS 70 Ca -0.00 0.23 -0.03 0.00 -0.26 0.00 0.00 57.72 57.66 1x4t n HIS 70 Cb 0.35 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.37 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 -0.55 -0.15 -0.90 4.41 4.06 -0.63 0.63 115.95 122.82 1x4t h TRP 71 Ca -0.49 -0.00 0.38 0.00 2.06 0.00 0.00 58.89 60.84 1x4t h TRP 71 Cb 1.67 0.05 -0.16 0.00 -1.00 0.00 0.00 29.16 29.72 1x4t h TRP 71 CO 0.04 -0.09 0.48 0.39 -3.56 0.00 0.00 178.44 175.69 1x4t n GLU 72 N -2.60 -0.05 0.14 0.49 1.02 0.06 0.14 120.64 119.83 1x4t n GLU 72 Ca -0.02 1.25 -0.25 0.00 -0.02 0.00 0.00 57.16 58.12 1x4t n GLU 72 Cb 0.06 -2.23 -0.16 0.00 -0.02 0.00 0.00 31.44 29.09 1x4t n GLU 72 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x4t h VAL 73 N 0.00 1.23 -0.90 2.62 2.07 -1.70 -3.13 116.25 116.44 1x4t h VAL 73 Ca 0.76 -2.67 0.10 0.00 0.82 0.00 0.00 66.70 65.71 1x4t h VAL 73 Cb 2.01 3.01 -0.07 0.00 -1.52 0.00 0.00 31.29 34.72 1x4t h VAL 73 CO -0.70 0.82 0.58 -0.09 0.02 0.00 0.00 177.57 178.20 1x4t h ARG 74 N 0.14 0.87 0.00 1.57 9.65 0.72 0.10 114.38 127.44 1x4t h ARG 74 Ca -0.27 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.53 1x4t h ARG 74 Cb 2.17 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 30.55 1x4t h ARG 74 CO 0.26 0.58 -0.10 0.82 2.80 0.00 0.00 179.97 184.33 1x4t h ILE 75 N 0.90 0.68 0.16 1.20 2.04 -1.01 -2.50 117.51 118.97 1x4t h ILE 75 Ca 0.42 -0.42 -0.33 0.00 1.00 0.00 0.00 64.86 65.53 1x4t h ILE 75 Cb 0.41 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1x4t h ILE 75 CO -0.18 0.10 -1.63 0.50 0.00 0.00 0.00 178.15 176.94 1x4t h LYS 76 N 0.00 0.34 0.00 2.37 3.64 -0.87 0.25 116.57 122.31 1x4t h LYS 76 Ca -0.00 -0.59 -0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1x4t h LYS 76 Cb 0.25 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1x4t h LYS 76 CO 0.01 1.24 -0.04 0.93 -2.27 0.00 0.00 179.45 179.32 1x4t h GLU 77 N 0.09 0.00 0.00 1.90 5.08 -0.83 -1.75 114.58 119.07 1x4t h GLU 77 Ca -0.29 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.84 1x4t h GLU 77 Cb 2.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.28 1x4t h GLU 77 CO 0.18 0.04 -1.33 -0.07 -1.00 0.00 0.00 179.01 176.82 1x4t h LEU 78 N 0.00 0.00 0.00 1.33 4.07 -1.55 -3.48 115.31 115.69 1x4t h LEU 78 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1x4t h LEU 78 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1x4t h LEU 78 CO 0.00 0.89 0.00 0.61 -1.08 0.00 0.00 178.44 178.86 1x4t n GLY 79 N 1.44 0.92 0.00 0.83 0.00 -0.66 -5.02 105.19 102.70 1x4t n GLY 79 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.09 3.77 -0.02 0.00 0.89 -4.99 105.19 106.92 1x4t n GLY 80 Ca 0.00 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 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 3.29 3.64 -0.72 1.61 0.04 -1.26 -4.45 135.00 137.15 1x4t s PRO 81 Ca 0.00 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 1x4t s PRO 81 Cb 0.00 -2.28 0.17 0.00 0.04 0.00 0.00 34.50 32.43 1x4t s PRO 81 CO 0.00 -0.64 0.71 -0.51 0.04 0.00 0.00 177.00 176.60 1x4t s ASP 82 N -1.49 6.51 0.02 6.66 1.11 -1.26 -3.44 116.67 124.78 1x4t s ASP 82 Ca 0.66 -2.22 -0.01 0.00 0.18 0.00 0.00 52.55 51.16 1x4t s ASP 82 Cb -0.27 -2.23 -0.27 0.00 1.07 0.00 0.00 42.92 41.22 1x4t s ASP 82 CO 0.32 -0.76 0.93 1.88 1.18 0.00 0.00 175.17 178.72 1x4t h TYR 83 N 8.36 0.36 0.03 4.23 -1.99 -1.93 -3.35 116.97 122.68 1x4t h TYR 83 Ca -0.06 -0.26 -0.09 0.00 2.00 0.00 0.00 58.73 60.31 1x4t h TYR 83 Cb 1.06 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.77 1x4t h TYR 83 CO 0.93 1.29 -0.47 0.78 -0.00 0.00 0.00 178.16 180.69 1x4t h GLY 84 N 1.99 0.06 -1.21 3.88 0.00 -1.89 -3.33 103.07 102.57 1x4t h GLY 84 Ca -0.20 -0.16 0.45 0.00 0.00 0.00 0.00 47.33 47.42 1x4t h GLY 84 CO 0.16 0.14 0.96 1.70 0.00 0.00 0.00 176.54 179.49 1x4t h LYS 85 N -0.87 0.07 -2.44 4.80 1.63 -1.87 -0.36 116.57 117.53 1x4t h LYS 85 Ca -0.11 -0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 58.94 1x4t h LYS 85 Cb 1.20 -0.01 -0.18 0.00 -0.60 0.00 0.00 32.23 32.64 1x4t h LYS 85 CO -0.02 0.04 1.80 1.33 -3.45 0.00 0.00 179.45 179.16 1x4t n VAL 86 N -4.51 5.29 -2.41 2.00 0.24 -1.25 -4.98 118.33 112.72 1x4t n VAL 86 Ca 0.38 -4.70 -0.24 0.00 -2.04 0.00 0.00 64.34 57.73 1x4t n VAL 86 Cb 1.52 -1.85 0.08 0.00 -1.47 0.00 0.00 33.84 32.12 1x4t n VAL 86 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x4t s SER 87 N -0.18 4.66 0.08 -1.34 1.04 -0.15 -5.02 113.70 112.79 1x4t s SER 87 Ca 0.50 0.08 0.03 0.00 0.48 0.00 0.00 55.95 57.04 1x4t s SER 87 Cb 0.21 -0.66 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1x4t s SER 87 CO -0.13 -1.65 0.08 -0.83 0.98 0.00 0.00 173.24 171.69 1x4t s GLY 88 N -4.59 2.01 1.03 7.32 0.00 -1.26 -5.12 107.32 106.71 1x4t s GLY 88 Ca 0.62 -1.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.19 1x4t s GLY 88 CO 0.44 -1.00 1.09 2.56 0.00 0.00 0.00 173.10 176.19 1x4t s PRO 89 N -2.41 0.20 0.17 2.90 0.04 -1.26 -5.01 135.00 129.63 1x4t s PRO 89 Ca 0.29 0.44 -0.28 0.00 0.04 0.00 0.00 61.00 61.50 1x4t s PRO 89 Cb -0.12 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 1x4t s PRO 89 CO 0.22 -2.87 0.86 0.45 0.04 0.00 0.00 177.00 175.70 1x4t s SER 90 N -3.49 7.48 -0.45 6.66 0.15 -1.26 -5.02 113.70 117.77 1x4t s SER 90 Ca 0.66 1.76 -0.20 0.00 0.70 0.00 0.00 55.95 58.86 1x4t s SER 90 Cb -0.18 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1x4t s SER 90 CO 0.58 0.13 0.62 -0.94 1.20 0.00 0.00 173.24 174.82 1x4t s SER 91 N -0.88 6.29 0.00 5.45 1.04 -1.26 -5.36 113.70 118.98 1x4t s SER 91 Ca 0.39 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1x4t s SER 91 Cb -0.24 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1x4t s SER 91 CO 0.28 -0.78 0.31 0.61 0.98 0.00 0.00 173.24 174.64