#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 -2.58 -4.35 1.61 7.64 -1.26 -1.45 113.62 113.22 1x4t n SER 2 Ca 0.00 -0.85 -0.34 0.00 1.01 0.00 0.00 58.87 58.69 1x4t n SER 2 Cb 0.00 -3.72 -0.08 0.00 -1.01 0.00 0.00 64.21 59.39 1x4t n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4t n SER 3 N -2.93 -0.19 -3.98 6.43 2.88 -1.26 -4.92 113.62 109.66 1x4t n SER 3 Ca -0.14 -1.24 -0.29 0.00 -1.33 0.00 0.00 58.87 55.88 1x4t n SER 3 Cb 0.61 -1.77 -0.17 0.00 -0.75 0.00 0.00 64.21 62.13 1x4t n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4t s GLY 4 N -3.99 1.01 0.19 0.46 0.00 -0.53 -5.13 107.32 99.32 1x4t s GLY 4 Ca 0.29 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.30 1x4t s GLY 4 CO 1.00 0.59 0.21 -0.56 0.00 0.00 0.00 173.10 174.34 1x4t s SER 5 N 1.51 5.80 -0.13 1.64 0.01 -1.26 -4.87 113.70 116.40 1x4t s SER 5 Ca 0.04 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1x4t s SER 5 Cb -0.13 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1x4t s SER 5 CO -0.09 0.02 -0.20 -0.55 0.41 0.00 0.00 173.24 172.84 1x4t s SER 6 N -3.42 3.36 0.00 2.44 0.15 -1.26 -5.03 113.70 109.94 1x4t s SER 6 Ca 0.33 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1x4t s SER 6 Cb -0.10 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1x4t s SER 6 CO 0.26 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1x4t n GLY 7 N 3.86 -1.08 2.78 9.45 0.00 -1.26 -5.03 105.19 113.92 1x4t n GLY 7 Ca -0.19 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.84 0.71 0.76 1.61 -0.14 -1.26 -5.15 119.74 112.43 1x4t s LYS 8 Ca 0.00 0.04 -0.01 0.00 -1.36 0.00 0.00 55.97 54.64 1x4t s LYS 8 Cb 0.00 -1.10 0.15 0.00 -1.68 0.00 0.00 37.83 35.20 1x4t s LYS 8 CO 0.00 -0.32 1.05 0.14 -0.76 0.00 0.00 175.35 175.46 1x4t s VAL 9 N 1.94 2.01 -0.27 3.17 -7.23 -1.26 -5.06 120.40 113.70 1x4t s VAL 9 Ca 0.05 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 59.43 1x4t s VAL 9 Cb -0.13 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1x4t s VAL 9 CO -0.06 0.00 0.62 -0.75 -0.31 0.00 0.00 175.10 174.60 1x4t s LYS 10 N -5.23 4.03 0.96 4.82 2.20 -1.26 -5.06 119.74 120.20 1x4t s LYS 10 Ca 0.69 0.44 -0.13 0.00 -0.36 0.00 0.00 55.97 56.60 1x4t s LYS 10 Cb -0.04 -3.68 0.16 0.00 -1.51 0.00 0.00 37.83 32.77 1x4t s LYS 10 CO 0.46 -0.46 1.13 -1.83 -0.36 0.00 0.00 175.35 174.28 1x4t s GLU 11 N 2.52 0.77 -0.01 4.03 1.03 -1.26 -5.08 118.70 120.70 1x4t s GLU 11 Ca 0.25 0.30 0.03 0.00 0.03 0.00 0.00 54.97 55.59 1x4t s GLU 11 Cb -0.15 -1.80 -0.01 0.00 -0.80 0.00 0.00 34.13 31.38 1x4t s GLU 11 CO 0.10 -2.45 -0.12 0.50 -1.33 0.00 0.00 175.26 171.96 1x4t s ARG 12 N -5.22 1.02 0.36 -4.83 6.06 -1.26 -5.12 118.95 109.96 1x4t s ARG 12 Ca 0.65 -0.42 -0.28 0.00 -2.50 0.00 0.00 55.73 53.18 1x4t s ARG 12 Cb -0.15 -0.97 -0.11 0.00 0.06 0.00 0.00 34.95 33.78 1x4t s ARG 12 CO 0.55 0.23 1.51 0.50 -2.50 0.00 0.00 175.30 175.58 1x4t s ARG 13 N -0.17 4.11 0.00 5.12 3.52 -1.26 -5.01 118.95 125.26 1x4t s ARG 13 Ca 0.03 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 1x4t s ARG 13 Cb -0.06 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.35 1x4t s ARG 13 CO -0.00 -0.56 0.00 -0.35 -0.81 0.00 0.00 175.30 173.58 1x4t n PRO 14 N 0.79 0.23 0.00 5.12 -0.04 -1.26 -5.04 135.00 134.81 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 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.27 0.00 -4.03 0.54 7.35 -1.26 -5.00 117.46 113.79 1x4t n PHE 15 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 1x4t n PHE 15 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 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 -2.70 3.12 0.35 -2.13 1.43 -1.26 -4.99 118.68 112.50 1x4t s LEU 16 Ca 0.00 -1.05 0.07 0.00 -1.03 0.00 0.00 54.13 52.12 1x4t s LEU 16 Cb 0.00 -1.59 0.74 0.00 0.03 0.00 0.00 46.19 45.38 1x4t s LEU 16 CO 0.00 -0.14 1.90 0.00 0.23 0.00 0.00 176.35 178.34 1x4t h ALA 17 N 7.91 1.74 0.00 4.21 0.00 -1.94 0.82 119.26 132.01 1x4t h ALA 17 Ca -0.30 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1x4t h ALA 17 Cb 1.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1x4t h ALA 17 CO 0.54 0.07 -0.24 0.66 0.00 0.00 0.00 179.25 180.28 1x4t h SER 18 N 0.77 0.00 0.88 0.00 4.64 -1.94 -2.25 113.55 115.66 1x4t h SER 18 Ca 0.41 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.62 1x4t h SER 18 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1x4t h SER 18 CO -0.17 0.24 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.19 1x4t h GLU 19 N 0.00 0.00 -5.29 4.77 5.08 -1.26 -3.38 114.58 114.50 1x4t h GLU 19 Ca -0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1x4t h GLU 19 Cb 0.50 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.60 1x4t h GLU 19 CO 0.03 0.51 1.22 0.00 -1.00 0.00 0.00 179.01 179.77 1x4t n THR 21 N 5.70 2.69 -3.95 0.00 -2.24 -1.26 -4.79 114.28 110.43 1x4t n THR 21 Ca 0.31 -1.55 -0.28 0.00 -2.27 0.00 0.00 64.05 60.26 1x4t n THR 21 Cb 0.48 -1.43 -0.17 0.00 -2.10 0.00 0.00 70.33 67.11 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 -1.30 1.82 0.11 -0.78 2.02 -1.26 -5.03 118.70 114.29 1x4t s GLU 22 Ca 0.29 -0.43 -0.21 0.00 0.02 0.00 0.00 54.97 54.64 1x4t s GLU 22 Cb 0.21 -1.88 -0.08 0.00 0.10 0.00 0.00 34.13 32.49 1x4t s GLU 22 CO -0.03 -0.29 1.74 1.25 0.02 0.00 0.00 175.26 177.96 1x4t h LEU 23 N 8.11 0.00 0.00 1.80 5.85 -1.97 -0.36 115.31 128.75 1x4t h LEU 23 Ca -0.32 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1x4t h LEU 23 Cb 1.13 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1x4t h LEU 23 CO 0.45 0.02 0.00 -0.81 -0.34 0.00 0.00 178.44 177.77 1x4t n PRO 24 N -5.09 0.09 -0.07 5.25 -0.04 -1.26 -2.05 135.00 131.83 1x4t n PRO 24 Ca -0.04 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1x4t n PRO 24 Cb 0.07 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.41 0.67 0.19 0.54 4.76 -0.55 -3.27 118.16 119.09 1x4t n LYS 25 Ca 0.05 0.28 0.06 0.00 -2.87 0.00 0.00 58.31 55.82 1x4t n LYS 25 Cb 0.15 -1.62 0.32 0.00 -1.84 0.00 0.00 35.03 32.03 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 -0.19 0.97 0.07 7.82 0.00 -0.98 -2.13 119.26 124.83 1x4t h ALA 26 Ca -0.50 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 53.80 1x4t h ALA 26 Cb 1.82 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1x4t h ALA 26 CO -0.09 0.46 -1.37 0.93 0.00 0.00 0.00 179.25 179.18 1x4t h GLU 27 N 0.00 0.15 -0.11 0.00 5.08 -1.60 -2.97 114.58 115.14 1x4t h GLU 27 Ca -0.00 -0.26 -0.21 0.00 -1.00 0.00 0.00 59.36 57.88 1x4t h GLU 27 Cb 0.92 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1x4t h GLU 27 CO 0.05 1.02 -0.78 1.57 -1.00 0.00 0.00 179.01 179.87 1x4t h LYS 28 N 0.04 0.62 0.00 2.33 2.10 -1.52 -3.08 116.57 117.05 1x4t h LYS 28 Ca -0.17 -0.52 -0.05 0.00 -2.00 0.00 0.00 60.65 57.92 1x4t h LYS 28 Cb 1.95 0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 33.38 1x4t h LYS 28 CO 0.15 1.14 -0.23 -1.49 -2.00 0.00 0.00 179.45 177.01 1x4t h TRP 29 N 0.42 0.00 0.34 0.07 -0.00 -1.50 -3.02 115.95 112.26 1x4t h TRP 29 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 1x4t h TRP 29 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.55 1x4t h TRP 29 CO 0.07 0.23 -0.16 -0.09 -0.00 0.00 0.00 178.44 178.49 1x4t h ARG 30 N 0.00 -0.44 -0.31 0.49 2.43 -1.44 -2.55 114.38 112.55 1x4t h ARG 30 Ca -0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1x4t h ARG 30 Cb 0.90 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1x4t h ARG 30 CO 0.03 -0.12 0.21 0.07 -1.51 0.00 0.00 179.97 178.65 1x4t h ARG 31 N -0.88 0.36 -0.69 0.20 0.11 -1.60 -1.73 114.38 110.15 1x4t h ARG 31 Ca -0.05 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 59.94 1x4t h ARG 31 Cb 0.53 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.50 1x4t h ARG 31 CO 0.08 0.24 0.17 0.37 0.10 0.00 0.00 179.97 180.92 1x4t h GLN 32 N 0.37 1.11 0.15 0.08 5.75 -1.49 -2.94 115.11 118.14 1x4t h GLN 32 Ca 0.12 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1x4t h GLN 32 Cb 0.04 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.45 1x4t h GLN 32 CO -0.03 0.98 -0.07 0.82 -2.65 0.00 0.00 178.83 177.88 1x4t h ILE 33 N 1.04 0.99 -1.05 2.39 2.04 -0.90 -3.11 117.51 118.90 1x4t h ILE 33 Ca 0.22 -0.80 0.33 0.00 1.00 0.00 0.00 64.86 65.60 1x4t h ILE 33 Cb 0.37 1.46 -0.14 0.00 -0.74 0.00 0.00 36.82 37.77 1x4t h ILE 33 CO 0.00 0.18 0.62 0.40 0.00 0.00 0.00 178.15 179.36 1x4t h ILE 34 N -0.61 0.31 -0.60 -0.67 2.04 -1.38 0.59 117.51 117.19 1x4t h ILE 34 Ca -0.02 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1x4t h ILE 34 Cb 0.46 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1x4t h ILE 34 CO 0.03 0.06 0.23 1.23 0.00 0.00 0.00 178.15 179.70 1x4t h GLY 35 N 0.31 0.95 0.62 5.37 0.00 -1.45 -2.42 103.07 106.45 1x4t h GLY 35 Ca 0.73 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1x4t h GLY 35 CO -0.54 0.47 -0.01 0.83 0.00 0.00 0.00 176.54 177.29 1x4t h GLU 36 N 0.87 -0.03 -0.24 4.80 5.08 0.18 -1.70 114.58 123.55 1x4t h GLU 36 Ca 0.20 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1x4t h GLU 36 Cb 0.19 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1x4t h GLU 36 CO -0.02 0.35 -0.20 0.82 -1.00 0.00 0.00 179.01 178.96 1x4t h ILE 37 N -0.41 0.46 0.58 3.13 2.04 -1.30 -1.95 117.51 120.05 1x4t h ILE 37 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1x4t h ILE 37 Cb 0.39 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1x4t h ILE 37 CO 0.00 0.00 -0.31 -1.28 0.00 0.00 0.00 178.15 176.56 1x4t h SER 38 N -0.21 -0.77 -1.08 1.72 0.87 -1.47 0.12 113.55 112.74 1x4t h SER 38 Ca 0.14 0.04 0.38 0.00 -1.23 0.00 0.00 61.79 61.11 1x4t h SER 38 Cb 0.41 0.21 -0.15 0.00 -0.44 0.00 0.00 62.40 62.43 1x4t h SER 38 CO -0.36 -0.51 0.63 0.11 -0.53 0.00 0.00 176.83 176.17 1x4t h LYS 39 N -0.83 0.16 0.19 2.24 1.79 -1.02 0.47 116.57 119.57 1x4t h LYS 39 Ca -0.07 -0.01 -0.28 0.00 -2.18 0.00 0.00 60.65 58.11 1x4t h LYS 39 Cb 0.66 -0.04 0.03 0.00 -1.58 0.00 0.00 32.23 31.30 1x4t h LYS 39 CO 0.10 0.10 -1.20 0.87 -1.08 0.00 0.00 179.45 178.25 1x4t h LYS 40 N 0.16 0.47 -0.72 3.15 1.57 -0.90 -3.31 116.57 116.99 1x4t h LYS 40 Ca 0.79 -0.77 0.15 0.00 -1.87 0.00 0.00 60.65 58.96 1x4t h LYS 40 Cb 2.08 0.28 -0.11 0.00 0.08 0.00 0.00 32.23 34.56 1x4t h LYS 40 CO -0.61 1.36 0.19 0.28 -0.57 0.00 0.00 179.45 180.10 1x4t h VAL 41 N -0.02 0.54 0.09 0.50 2.07 0.26 -1.60 116.25 118.09 1x4t h VAL 41 Ca -0.20 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1x4t h VAL 41 Cb 1.93 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1x4t h VAL 41 CO 0.23 0.05 -0.23 0.00 0.02 0.00 0.00 177.57 177.63 1x4t h ALA 42 N 1.59 -0.37 -0.81 1.67 0.00 -1.36 -0.73 119.26 119.25 1x4t h ALA 42 Ca 0.40 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.52 1x4t h ALA 42 Cb 0.67 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1x4t h ALA 42 CO -0.49 -0.76 0.61 1.96 0.00 0.00 0.00 179.25 180.57 1x4t h GLN 43 N -0.42 0.00 0.15 0.00 4.20 -1.40 0.16 115.11 117.80 1x4t h GLN 43 Ca 0.04 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.45 1x4t h GLN 43 Cb 0.45 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.26 1x4t h GLN 43 CO -0.15 0.00 -1.28 0.82 -0.67 0.00 0.00 178.83 177.54 1x4t h ILE 44 N 0.00 1.33 0.00 2.54 1.08 -0.73 -3.24 117.51 118.48 1x4t h ILE 44 Ca 0.38 -2.61 -0.03 0.00 -0.39 0.00 0.00 64.86 62.21 1x4t h ILE 44 Cb 1.60 2.80 -0.00 0.00 -3.07 0.00 0.00 36.82 38.14 1x4t h ILE 44 CO -0.00 0.79 -0.16 1.56 -0.69 0.00 0.00 178.15 179.65 1x4t h GLN 45 N 0.21 0.00 0.00 2.37 4.20 0.63 -1.70 115.11 120.82 1x4t h GLN 45 Ca -0.19 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 1x4t h GLN 45 Cb 1.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.74 1x4t h GLN 45 CO 0.24 0.16 -0.32 -0.91 -0.67 0.00 0.00 178.83 177.33 1x4t h ASN 46 N 0.00 0.00 -6.38 1.46 2.35 -1.36 -3.47 115.58 108.18 1x4t h ASN 46 Ca -0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.30 1x4t h ASN 46 Cb 0.33 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.52 1x4t h ASN 46 CO 0.02 0.32 -0.68 0.00 -1.65 0.00 0.00 177.43 175.43 1x4t n ALA 47 N -2.25 -1.53 -2.54 -0.83 0.00 -0.64 -4.76 120.51 107.96 1x4t n ALA 47 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.21 1x4t n ALA 47 Cb 0.51 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.86 1.11 0.00 0.00 0.00 -1.26 -4.81 105.19 98.37 1x4t n GLY 48 Ca -0.16 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 0.31 0.04 0.00 0.99 4.77 -1.26 -5.12 117.00 116.73 1x4t n LEU 49 Ca 0.05 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1x4t n LEU 49 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1x4t n LEU 49 CO -0.03 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1x4t n GLY 50 N 2.01 2.94 0.29 -0.72 0.00 -1.26 -4.56 105.19 103.88 1x4t n GLY 50 Ca -0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.18 -0.29 1.61 1.02 -1.26 0.14 120.64 122.86 1x4t n GLU 51 Ca 0.00 1.15 0.06 0.00 -0.02 0.00 0.00 57.16 58.35 1x4t n GLU 51 Cb 0.00 -1.70 0.17 0.00 -0.02 0.00 0.00 31.44 29.89 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 -0.21 0.24 -0.32 -1.00 -2.00 0.47 116.94 114.12 1x4t h PHE 52 Ca 0.26 0.07 -0.01 0.00 2.81 0.00 0.00 57.97 61.09 1x4t h PHE 52 Cb 0.44 0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.23 1x4t h PHE 52 CO -0.65 -0.33 -0.12 0.00 -1.61 0.00 0.00 178.31 175.60 1x4t h ARG 53 N 0.04 -0.31 -1.05 1.51 2.47 0.90 -2.21 114.38 115.74 1x4t h ARG 53 Ca 0.45 0.02 0.36 0.00 -1.26 0.00 0.00 59.98 59.55 1x4t h ARG 53 Cb 0.79 0.07 -0.15 0.00 -1.65 0.00 0.00 29.97 29.03 1x4t h ARG 53 CO -0.80 0.06 0.61 0.82 0.56 0.00 0.00 179.97 181.21 1x4t h ILE 54 N -0.82 0.22 -0.01 2.04 5.03 -0.05 0.23 117.51 124.13 1x4t h ILE 54 Ca -0.03 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.61 1x4t h ILE 54 Cb 0.51 -0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.28 1x4t h ILE 54 CO 0.05 0.04 -0.08 0.03 -0.68 0.00 0.00 178.15 177.51 1x4t h ARG 55 N 0.23 0.08 -0.01 2.37 2.47 -0.93 -1.58 114.38 117.00 1x4t h ARG 55 Ca 0.77 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.42 1x4t h ARG 55 Cb 1.92 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 30.25 1x4t h ARG 55 CO -0.60 0.74 0.07 -0.44 0.56 0.00 0.00 179.97 180.29 1x4t h ASP 56 N -0.56 0.00 0.00 7.04 3.32 -0.04 0.16 116.42 126.34 1x4t h ASP 56 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1x4t h ASP 56 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1x4t h ASP 56 CO 0.02 0.00 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.10 1x4t h LEU 57 N 0.00 0.00 -2.51 1.55 3.38 -0.70 -3.33 115.31 113.70 1x4t h LEU 57 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1x4t h LEU 57 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1x4t h LEU 57 CO -0.00 0.66 0.08 -0.55 0.09 0.00 0.00 178.44 178.72 1x4t h ASN 58 N -0.95 0.00 -0.50 -0.43 7.08 -1.13 -1.31 115.58 118.34 1x4t h ASN 58 Ca 0.00 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.14 1x4t h ASN 58 Cb 0.37 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.59 1x4t h ASN 58 CO 0.00 0.00 0.01 -0.78 -2.08 0.00 0.00 177.43 174.58 1x4t h ASP 59 N 0.00 0.85 0.46 6.14 1.82 -0.84 -3.04 116.42 121.81 1x4t h ASP 59 Ca 0.02 -0.30 -0.20 0.00 -0.39 0.00 0.00 57.03 56.16 1x4t h ASP 59 Cb 0.18 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 1x4t h ASP 59 CO -0.00 0.94 -0.87 -0.33 -1.61 0.00 0.00 179.24 177.37 1x4t h GLU 60 N 0.73 0.29 -0.28 0.28 4.39 -1.37 -3.33 114.58 115.29 1x4t h GLU 60 Ca 0.14 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.58 1x4t h GLU 60 Cb 0.50 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1x4t h GLU 60 CO 0.02 0.99 -0.31 0.82 -1.16 0.00 0.00 179.01 179.37 1x4t h ILE 61 N 0.17 0.00 -0.64 3.13 1.08 -1.30 0.72 117.51 120.67 1x4t h ILE 61 Ca -0.05 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.55 1x4t h ILE 61 Cb 1.49 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.11 1x4t h ILE 61 CO 0.14 0.00 -0.17 0.78 -0.69 0.00 0.00 178.15 178.21 1x4t h ASN 62 N -0.19 -0.62 -0.98 1.72 2.35 -1.68 0.27 115.58 116.45 1x4t h ASN 62 Ca 0.05 0.19 0.14 0.00 -0.55 0.00 0.00 56.30 56.13 1x4t h ASN 62 Cb 0.32 0.40 -0.09 0.00 0.05 0.00 0.00 38.32 39.00 1x4t h ASN 62 CO -0.36 -0.22 0.60 0.11 -1.65 0.00 0.00 177.43 175.91 1x4t h LYS 63 N -0.01 0.88 -0.19 0.81 1.79 -1.33 -0.11 116.57 118.40 1x4t h LYS 63 Ca 0.30 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.58 1x4t h LYS 63 Cb 0.47 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1x4t h LYS 63 CO -0.66 0.58 -0.46 -0.07 -1.08 0.00 0.00 179.45 177.76 1x4t h LEU 64 N 0.90 0.53 0.32 2.94 3.38 0.17 -3.23 115.31 120.33 1x4t h LEU 64 Ca 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1x4t h LEU 64 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1x4t h LEU 64 CO -0.30 0.92 -0.15 0.25 0.09 0.00 0.00 178.44 179.25 1x4t h LEU 65 N 0.40 -0.37 -0.80 1.67 5.85 0.87 -2.87 115.31 120.05 1x4t h LEU 65 Ca 0.02 -0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.92 1x4t h LEU 65 Cb 0.96 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.95 1x4t h LEU 65 CO 0.09 -0.23 0.04 0.03 -0.34 0.00 0.00 178.44 178.03 1x4t h ARG 66 N -0.47 0.11 -0.97 1.25 3.08 -1.36 0.48 114.38 116.49 1x4t h ARG 66 Ca -0.04 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.10 1x4t h ARG 66 Cb 0.36 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.31 1x4t h ARG 66 CO 0.07 0.07 0.62 1.49 -1.07 0.00 0.00 179.97 181.15 1x4t h GLU 67 N 0.11 0.97 -0.02 0.04 4.57 -1.53 -2.26 114.58 116.45 1x4t h GLU 67 Ca 0.45 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1x4t h GLU 67 Cb 0.83 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1x4t h GLU 67 CO -0.70 0.64 0.00 -0.22 -1.18 0.00 0.00 179.01 177.55 1x4t h LYS 68 N 1.00 0.04 -0.03 1.92 3.64 0.08 -1.58 116.57 121.63 1x4t h LYS 68 Ca 0.45 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.83 1x4t h LYS 68 Cb 0.40 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1x4t h LYS 68 CO -0.21 0.33 0.37 0.78 -2.27 0.00 0.00 179.45 178.44 1x4t h GLY 69 N -0.25 0.00 0.46 5.01 0.00 -0.69 0.89 103.07 108.48 1x4t h GLY 69 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.98 1x4t h GLY 69 CO 0.00 0.00 -2.11 1.42 0.00 0.00 0.00 176.54 175.85 1x4t n HIS 70 N -2.93 0.76 0.01 5.60 8.25 -1.02 -4.02 115.22 121.86 1x4t n HIS 70 Ca -0.01 0.19 -0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1x4t n HIS 70 Cb 0.42 -1.11 -0.00 0.00 1.12 0.00 0.00 29.99 30.42 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 0.03 -0.02 -0.74 4.41 4.06 0.05 0.13 115.95 123.87 1x4t h TRP 71 Ca -0.45 -0.00 0.22 0.00 2.06 0.00 0.00 58.89 60.71 1x4t h TRP 71 Cb 2.02 0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 30.16 1x4t h TRP 71 CO 0.04 -0.01 1.01 0.93 -3.56 0.00 0.00 178.44 176.85 1x4t h GLU 72 N -0.09 0.00 0.05 0.49 5.08 -1.20 1.22 114.58 120.13 1x4t h GLU 72 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1x4t h GLU 72 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1x4t h GLU 72 CO 0.00 0.00 -2.05 0.28 -1.00 0.00 0.00 179.01 176.24 1x4t n VAL 73 N -3.22 1.63 0.23 3.13 0.31 -1.24 -2.89 118.33 116.28 1x4t n VAL 73 Ca 0.16 -0.71 0.10 0.00 -0.01 0.00 0.00 64.34 63.88 1x4t n VAL 73 Cb 1.24 -1.29 0.49 0.00 -0.91 0.00 0.00 33.84 33.37 1x4t n VAL 73 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1x4t h ARG 74 N 0.03 0.00 0.00 5.55 9.65 0.42 -2.75 114.38 127.28 1x4t h ARG 74 Ca -0.43 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.40 1x4t h ARG 74 Cb 2.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.61 1x4t h ARG 74 CO 0.05 0.22 -0.25 0.82 2.80 0.00 0.00 179.97 183.61 1x4t h ILE 75 N 0.00 1.04 0.09 1.20 2.04 -0.90 -2.92 117.51 118.06 1x4t h ILE 75 Ca -0.00 -0.90 -0.20 0.00 1.00 0.00 0.00 64.86 64.76 1x4t h ILE 75 Cb 0.70 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1x4t h ILE 75 CO 0.03 0.25 -1.02 0.50 0.00 0.00 0.00 178.15 177.91 1x4t h LYS 76 N 0.00 0.18 0.00 2.37 3.64 -1.53 -0.12 116.57 121.12 1x4t h LYS 76 Ca -0.00 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1x4t h LYS 76 Cb 0.48 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1x4t h LYS 76 CO 0.03 1.15 0.23 0.93 -2.27 0.00 0.00 179.45 179.53 1x4t h GLU 77 N -0.53 0.00 0.00 1.90 5.08 -1.44 0.39 114.58 119.98 1x4t h GLU 77 Ca -0.22 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.93 1x4t h GLU 77 Cb 1.55 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.76 1x4t h GLU 77 CO 0.04 0.00 -1.57 1.28 -1.00 0.00 0.00 179.01 177.75 1x4t n LEU 78 N -2.57 0.79 0.00 1.33 4.77 -1.11 -4.96 117.00 115.25 1x4t n LEU 78 Ca -0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1x4t n LEU 78 Cb 0.27 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1x4t n LEU 78 CO 0.11 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1x4t n GLY 79 N 1.46 1.48 0.00 -0.72 0.00 0.14 -5.05 105.19 102.49 1x4t n GLY 79 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 5.30 3.77 -0.02 0.00 -0.06 -5.00 105.19 109.18 1x4t n GLY 80 Ca 0.00 -1.98 -0.39 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 1.97 4.10 -0.67 1.61 0.04 -1.26 -4.42 135.00 136.37 1x4t s PRO 81 Ca 0.00 1.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 1x4t s PRO 81 Cb 0.00 -2.74 0.15 0.00 0.04 0.00 0.00 34.50 31.95 1x4t s PRO 81 CO 0.00 -0.30 0.67 0.16 0.04 0.00 0.00 177.00 177.56 1x4t s ASP 82 N -1.02 6.41 0.02 6.66 1.47 -1.26 -3.50 116.67 125.45 1x4t s ASP 82 Ca 0.56 -2.04 0.10 0.00 1.18 0.00 0.00 52.55 52.34 1x4t s ASP 82 Cb -0.32 -2.24 -0.22 0.00 -0.34 0.00 0.00 42.92 39.79 1x4t s ASP 82 CO 0.41 -0.83 0.90 1.88 0.68 0.00 0.00 175.17 178.22 1x4t h TYR 83 N 8.57 0.02 -0.83 2.11 0.05 -1.91 -3.35 116.97 121.63 1x4t h TYR 83 Ca -0.13 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.59 1x4t h TYR 83 Cb 1.07 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.77 1x4t h TYR 83 CO 0.88 1.02 0.38 0.78 -1.05 0.00 0.00 178.16 180.18 1x4t h GLY 84 N 3.22 1.30 0.60 3.88 0.00 -1.84 -1.53 103.07 108.71 1x4t h GLY 84 Ca -0.18 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.51 1x4t h GLY 84 CO 0.10 0.63 -0.13 1.70 0.00 0.00 0.00 176.54 178.84 1x4t h LYS 85 N 1.19 -0.19 -0.41 4.80 3.64 -1.89 -2.72 116.57 120.99 1x4t h LYS 85 Ca 0.28 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1x4t h LYS 85 Cb 0.15 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1x4t h LYS 85 CO -0.03 -0.13 0.15 0.28 -2.27 0.00 0.00 179.45 177.45 1x4t h VAL 86 N -0.20 1.20 -1.51 2.00 2.07 -1.68 -3.33 116.25 114.80 1x4t h VAL 86 Ca 0.06 -0.63 -0.70 0.00 0.82 0.00 0.00 66.70 66.25 1x4t h VAL 86 Cb 0.29 0.85 -0.13 0.00 -1.52 0.00 0.00 31.29 30.78 1x4t h VAL 86 CO -0.17 0.23 1.73 -0.44 0.02 0.00 0.00 177.57 178.94 1x4t s SER 87 N -5.89 6.90 0.10 0.57 0.01 -0.59 -4.97 113.70 109.83 1x4t s SER 87 Ca -0.13 -2.59 0.06 0.00 1.31 0.00 0.00 55.95 54.60 1x4t s SER 87 Cb 0.10 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1x4t s SER 87 CO 0.76 -1.01 -0.05 -0.83 0.41 0.00 0.00 173.24 172.51 1x4t s GLY 88 N 3.66 1.85 0.67 3.44 0.00 -1.25 -4.78 107.32 110.91 1x4t s GLY 88 Ca 0.48 -1.18 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 1x4t s GLY 88 CO 0.03 -1.16 1.11 2.56 0.00 0.00 0.00 173.10 175.64 1x4t s PRO 89 N -2.25 2.76 -0.54 2.90 0.04 -1.26 -5.02 135.00 131.63 1x4t s PRO 89 Ca 0.23 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1x4t s PRO 89 Cb -0.11 -1.95 0.14 0.00 0.04 0.00 0.00 34.50 32.62 1x4t s PRO 89 CO 0.16 -1.28 0.30 0.45 0.04 0.00 0.00 177.00 176.66 1x4t s SER 90 N -2.64 4.46 0.11 6.66 0.15 -1.26 -5.07 113.70 116.12 1x4t s SER 90 Ca 0.67 -3.02 -0.00 0.00 0.70 0.00 0.00 55.95 54.29 1x4t s SER 90 Cb -0.20 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 1x4t s SER 90 CO 0.43 -0.25 0.02 -0.55 1.20 0.00 0.00 173.24 174.09 1x4t s SER 91 N -0.19 0.53 0.00 5.45 0.15 -1.26 -5.38 113.70 113.01 1x4t s SER 91 Ca 0.17 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1x4t s SER 91 Cb -0.25 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1x4t s SER 91 CO -0.01 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.38