#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 3.75 0.35 1.61 0.15 -1.26 -5.00 113.70 113.31 1x4t s SER 2 Ca 0.00 -0.95 0.16 0.00 0.70 0.00 0.00 55.95 55.86 1x4t s SER 2 Cb 0.00 -1.53 1.14 0.00 -1.71 0.00 0.00 66.02 63.92 1x4t s SER 2 CO 0.00 -0.08 1.63 0.77 1.20 0.00 0.00 173.24 176.76 1x4t h SER 3 N 7.89 0.41 0.00 5.45 4.64 -2.14 -3.45 113.55 126.34 1x4t h SER 3 Ca -0.35 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1x4t h SER 3 Cb 1.10 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1x4t h SER 3 CO 0.57 -0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1x4t n GLY 4 N -1.29 0.77 3.30 -0.77 0.00 -1.26 -5.16 105.19 100.78 1x4t n GLY 4 Ca 0.33 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -0.47 -0.72 1.61 0.15 -1.26 -5.10 113.70 107.91 1x4t s SER 5 Ca 0.00 0.97 -0.26 0.00 0.70 0.00 0.00 55.95 57.36 1x4t s SER 5 Cb 0.00 1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 65.29 1x4t s SER 5 CO 0.00 -0.21 1.85 -0.94 1.20 0.00 0.00 173.24 175.14 1x4t s SER 6 N 1.81 5.31 1.34 5.45 1.04 -1.26 -4.97 113.70 122.43 1x4t s SER 6 Ca -0.07 -0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.10 1x4t s SER 6 Cb -0.09 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.83 1x4t s SER 6 CO -0.13 -2.44 0.96 -0.83 0.98 0.00 0.00 173.24 171.78 1x4t s GLY 7 N 7.77 1.46 -0.63 7.32 0.00 -1.26 -4.97 107.32 117.00 1x4t s GLY 7 Ca 0.66 -0.62 -0.09 0.00 0.00 0.00 0.00 44.72 44.67 1x4t s GLY 7 CO 0.13 0.30 0.52 0.54 0.00 0.00 0.00 173.10 174.59 1x4t s LYS 8 N -4.89 2.90 0.33 2.90 3.01 -1.26 -4.94 119.74 117.79 1x4t s LYS 8 Ca 0.69 -2.20 0.19 0.00 -1.01 0.00 0.00 55.97 53.64 1x4t s LYS 8 Cb -0.17 -4.06 1.19 0.00 -1.01 0.00 0.00 37.83 33.78 1x4t s LYS 8 CO 0.60 -1.23 1.39 1.55 0.51 0.00 0.00 175.35 178.17 1x4t n VAL 9 N 4.23 -0.36 -4.56 3.17 3.14 -1.26 -4.25 118.33 118.44 1x4t n VAL 9 Ca 0.03 1.77 -0.26 0.00 -2.96 0.00 0.00 64.34 62.92 1x4t n VAL 9 Cb 0.42 -2.88 -0.14 0.00 -1.06 0.00 0.00 33.84 30.19 1x4t n VAL 9 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1x4t s LYS 10 N -5.31 1.39 0.04 1.45 1.02 -1.26 -5.15 119.74 111.92 1x4t s LYS 10 Ca -0.08 -1.08 -0.15 0.00 0.02 0.00 0.00 55.97 54.68 1x4t s LYS 10 Cb 0.30 -1.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.02 1x4t s LYS 10 CO 0.69 0.40 0.33 -2.00 -0.92 0.00 0.00 175.35 173.85 1x4t s GLU 11 N -1.50 0.83 0.12 1.68 2.12 -1.26 -5.17 118.70 115.52 1x4t s GLU 11 Ca 0.09 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 55.03 1x4t s GLU 11 Cb -0.09 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.62 1x4t s GLU 11 CO 0.03 -0.27 0.02 0.50 -0.54 0.00 0.00 175.26 175.00 1x4t s ARG 12 N -2.44 2.56 0.29 4.30 3.52 -1.26 -5.09 118.95 120.83 1x4t s ARG 12 Ca -0.06 -0.91 -0.29 0.00 -0.13 0.00 0.00 55.73 54.34 1x4t s ARG 12 Cb -0.01 -2.51 -0.10 0.00 -1.56 0.00 0.00 34.95 30.77 1x4t s ARG 12 CO -0.02 0.51 1.41 0.50 -0.81 0.00 0.00 175.30 176.88 1x4t s ARG 13 N -2.59 4.27 0.00 5.12 3.52 -1.26 -5.02 118.95 123.00 1x4t s ARG 13 Ca 0.27 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 1x4t s ARG 13 Cb -0.11 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1x4t s ARG 13 CO 0.19 -0.36 0.00 -0.35 -0.81 0.00 0.00 175.30 173.97 1x4t n PRO 14 N 1.64 0.25 -0.00 5.12 -0.04 -1.26 -5.04 135.00 135.67 1x4t n PRO 14 Ca 0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1x4t n PRO 14 Cb 0.41 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.86 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 -3.99 0.54 7.35 -1.26 -5.00 117.46 113.85 1x4t n PHE 15 Ca 0.00 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.34 1x4t n PHE 15 Cb 0.00 -0.04 -0.12 0.00 0.35 0.00 0.00 39.48 39.67 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 -4.32 3.33 0.55 -2.13 1.43 -1.26 -4.98 118.68 111.30 1x4t s LEU 16 Ca -0.01 -0.19 0.28 0.00 -1.03 0.00 0.00 54.13 53.18 1x4t s LEU 16 Cb 0.00 -1.86 1.60 0.00 0.03 0.00 0.00 46.19 45.96 1x4t s LEU 16 CO 0.03 0.04 2.15 0.00 0.23 0.00 0.00 176.35 178.80 1x4t h ALA 17 N 7.64 1.41 -0.10 4.21 0.00 -1.94 -2.61 119.26 127.87 1x4t h ALA 17 Ca -0.37 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1x4t h ALA 17 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1x4t h ALA 17 CO 0.61 0.09 -0.27 0.66 0.00 0.00 0.00 179.25 180.33 1x4t h SER 18 N 0.00 0.42 -0.74 0.00 4.64 -1.96 -3.09 113.55 112.82 1x4t h SER 18 Ca -0.00 -0.59 0.21 0.00 -0.47 0.00 0.00 61.79 60.94 1x4t h SER 18 Cb 0.19 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1x4t h SER 18 CO 0.01 0.93 0.58 -0.33 -0.87 0.00 0.00 176.83 177.15 1x4t h GLU 19 N -0.08 0.00 -4.39 4.77 4.39 -1.89 -3.17 114.58 114.21 1x4t h GLU 19 Ca -0.00 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.95 1x4t h GLU 19 Cb 0.88 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.35 1x4t h GLU 19 CO 0.06 0.00 1.35 0.00 -1.16 0.00 0.00 179.01 179.26 1x4t n THR 21 N 4.12 2.06 -4.28 0.00 5.66 -1.20 -4.77 114.28 115.86 1x4t n THR 21 Ca 0.36 -0.65 -0.30 0.00 -3.05 0.00 0.00 64.05 60.41 1x4t n THR 21 Cb 0.41 -1.44 -0.17 0.00 -1.55 0.00 0.00 70.33 67.59 1x4t n THR 21 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1x4t s GLU 22 N -0.29 2.32 0.05 1.09 2.02 -1.26 -5.03 118.70 117.60 1x4t s GLU 22 Ca 0.05 -0.58 -0.24 0.00 0.02 0.00 0.00 54.97 54.21 1x4t s GLU 22 Cb 0.04 -2.03 -0.17 0.00 0.10 0.00 0.00 34.13 32.07 1x4t s GLU 22 CO -0.00 -0.13 1.56 1.25 0.02 0.00 0.00 175.26 177.96 1x4t h LEU 23 N 7.69 -0.05 0.00 1.80 5.85 -1.93 -2.06 115.31 126.61 1x4t h LEU 23 Ca -0.34 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1x4t h LEU 23 Cb 1.16 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1x4t h LEU 23 CO 0.51 0.13 0.00 -0.81 -0.34 0.00 0.00 178.44 177.93 1x4t n PRO 24 N -5.04 0.13 -0.02 5.25 -0.04 -1.26 -2.76 135.00 131.26 1x4t n PRO 24 Ca -0.08 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 1x4t n PRO 24 Cb 0.12 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.37 0.73 0.20 0.54 4.76 -0.95 -3.84 118.16 118.24 1x4t n LYS 25 Ca 0.06 0.26 0.06 0.00 -2.87 0.00 0.00 58.31 55.81 1x4t n LYS 25 Cb 0.14 -1.68 0.40 0.00 -1.84 0.00 0.00 35.03 32.05 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 0.02 1.14 -0.30 7.82 0.00 -1.20 -2.16 119.26 124.59 1x4t h ALA 26 Ca -0.45 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 1x4t h ALA 26 Cb 1.98 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1x4t h ALA 26 CO 0.04 0.43 -0.27 0.93 0.00 0.00 0.00 179.25 180.38 1x4t h GLU 27 N 0.00 0.72 -0.02 0.00 5.08 -1.68 0.51 114.58 119.19 1x4t h GLU 27 Ca -0.00 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 57.84 1x4t h GLU 27 Cb 0.75 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1x4t h GLU 27 CO 0.04 0.98 -0.68 1.57 -1.00 0.00 0.00 179.01 179.93 1x4t h LYS 28 N 0.47 0.08 0.02 2.33 2.10 -1.63 -3.00 116.57 116.94 1x4t h LYS 28 Ca 0.05 -0.07 -0.21 0.00 -2.00 0.00 0.00 60.65 58.43 1x4t h LYS 28 Cb 0.83 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.16 1x4t h LYS 28 CO 0.07 0.73 -0.97 -1.49 -2.00 0.00 0.00 179.45 175.79 1x4t h TRP 29 N 0.06 0.17 0.45 0.07 -0.00 -1.32 -3.13 115.95 112.23 1x4t h TRP 29 Ca -0.01 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.89 58.75 1x4t h TRP 29 Cb 1.20 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.36 1x4t h TRP 29 CO 0.01 1.00 -0.22 -0.09 -0.00 0.00 0.00 178.44 179.14 1x4t h ARG 30 N 0.04 -0.58 -0.88 0.49 2.43 -0.84 -2.73 114.38 112.31 1x4t h ARG 30 Ca -0.04 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1x4t h ARG 30 Cb 1.66 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 31.28 1x4t h ARG 30 CO 0.14 -0.29 0.57 0.07 -1.51 0.00 0.00 179.97 178.95 1x4t h ARG 31 N -0.82 0.77 -0.90 0.20 0.11 -1.64 -0.81 114.38 111.30 1x4t h ARG 31 Ca -0.06 -0.05 0.03 0.00 0.10 0.00 0.00 59.98 60.00 1x4t h ARG 31 Cb 0.56 -0.17 -0.05 0.00 1.11 0.00 0.00 29.97 31.41 1x4t h ARG 31 CO 0.10 0.51 0.58 0.37 0.10 0.00 0.00 179.97 181.63 1x4t h GLN 32 N 0.79 1.10 0.13 0.08 4.15 -1.47 -2.47 115.11 117.42 1x4t h GLN 32 Ca 0.42 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.77 1x4t h GLN 32 Cb 0.54 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1x4t h GLN 32 CO -0.19 0.73 -0.06 0.82 -1.93 0.00 0.00 178.83 178.20 1x4t h ILE 33 N 1.14 1.04 -1.03 2.39 2.04 -0.86 -2.95 117.51 119.27 1x4t h ILE 33 Ca 0.36 -0.81 0.29 0.00 1.00 0.00 0.00 64.86 65.69 1x4t h ILE 33 Cb -0.01 1.53 -0.13 0.00 -0.74 0.00 0.00 36.82 37.47 1x4t h ILE 33 CO -0.12 0.19 0.61 0.40 0.00 0.00 0.00 178.15 179.23 1x4t h ILE 34 N -0.57 0.42 -0.08 -0.67 2.04 -1.20 0.60 117.51 118.06 1x4t h ILE 34 Ca -0.02 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 1x4t h ILE 34 Cb 0.44 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1x4t h ILE 34 CO 0.03 0.08 -0.44 1.23 0.00 0.00 0.00 178.15 179.05 1x4t h GLY 35 N 0.43 0.19 0.38 5.37 0.00 -1.38 -2.94 103.07 105.13 1x4t h GLY 35 Ca 0.68 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 1x4t h GLY 35 CO -0.50 0.17 -0.01 0.83 0.00 0.00 0.00 176.54 177.03 1x4t h GLU 36 N 0.14 -0.02 0.02 4.80 5.08 0.32 -2.67 114.58 122.25 1x4t h GLU 36 Ca 0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1x4t h GLU 36 Cb 0.84 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 1x4t h GLU 36 CO 0.07 0.57 -0.48 0.82 -1.00 0.00 0.00 179.01 178.99 1x4t h ILE 37 N -0.64 0.07 0.29 3.13 2.04 -1.21 -2.42 117.51 118.77 1x4t h ILE 37 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1x4t h ILE 37 Cb 0.61 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1x4t h ILE 37 CO 0.00 0.00 -0.49 -1.28 0.00 0.00 0.00 178.15 176.38 1x4t h SER 38 N -0.64 -1.42 -1.59 1.72 0.87 -1.63 0.60 113.55 111.46 1x4t h SER 38 Ca 0.03 0.13 0.50 0.00 -1.23 0.00 0.00 61.79 61.22 1x4t h SER 38 Cb 0.70 0.50 -0.10 0.00 -0.44 0.00 0.00 62.40 63.06 1x4t h SER 38 CO -0.33 -0.58 1.10 0.29 -0.53 0.00 0.00 176.83 176.78 1x4t n LYS 39 N -5.33 -0.02 0.06 2.24 4.76 -1.00 0.18 118.16 119.05 1x4t n LYS 39 Ca -0.10 1.08 -0.23 0.00 -2.87 0.00 0.00 58.31 56.20 1x4t n LYS 39 Cb 0.41 -2.32 -0.15 0.00 -1.84 0.00 0.00 35.03 31.13 1x4t n LYS 39 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1x4t h LYS 40 N 0.00 0.37 -0.72 1.97 1.57 -0.66 -3.34 116.57 115.76 1x4t h LYS 40 Ca 0.85 -0.64 0.10 0.00 -1.87 0.00 0.00 60.65 59.09 1x4t h LYS 40 Cb 3.13 0.24 -0.07 0.00 0.08 0.00 0.00 32.23 35.60 1x4t h LYS 40 CO -0.21 1.30 0.36 0.28 -0.57 0.00 0.00 179.45 180.62 1x4t h VAL 41 N 0.01 0.84 -0.14 0.50 2.07 0.40 -2.17 116.25 117.75 1x4t h VAL 41 Ca -0.33 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.02 1x4t h VAL 41 Cb 2.02 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1x4t h VAL 41 CO 0.16 0.11 -0.11 0.00 0.02 0.00 0.00 177.57 177.75 1x4t h ALA 42 N 1.44 0.01 -0.64 1.67 0.00 -1.33 0.29 119.26 120.70 1x4t h ALA 42 Ca 0.36 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.48 1x4t h ALA 42 Cb 0.39 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1x4t h ALA 42 CO -0.28 -0.55 0.44 1.96 0.00 0.00 0.00 179.25 180.83 1x4t h GLN 43 N -0.11 0.17 0.00 0.00 4.20 -1.52 -1.60 115.11 116.25 1x4t h GLN 43 Ca 0.09 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1x4t h GLN 43 Cb 0.25 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1x4t h GLN 43 CO -0.21 0.11 -0.13 0.82 -0.67 0.00 0.00 178.83 178.75 1x4t h ILE 44 N 0.18 1.61 -0.40 2.54 1.08 -0.84 -3.23 117.51 118.45 1x4t h ILE 44 Ca 0.31 -1.97 0.12 0.00 -0.39 0.00 0.00 64.86 62.93 1x4t h ILE 44 Cb 0.97 2.90 -0.02 0.00 -3.07 0.00 0.00 36.82 37.61 1x4t h ILE 44 CO -0.05 0.52 0.33 1.56 -0.69 0.00 0.00 178.15 179.82 1x4t h GLN 45 N -0.68 0.00 0.00 2.37 1.08 -0.18 0.19 115.11 117.88 1x4t h GLN 45 Ca -0.02 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.06 1x4t h GLN 45 Cb 0.93 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.34 1x4t h GLN 45 CO 0.03 0.00 -0.57 -0.91 -0.95 0.00 0.00 178.83 176.42 1x4t h ASN 46 N 0.00 0.00 -6.79 1.46 2.35 -1.35 -3.47 115.58 107.78 1x4t h ASN 46 Ca 0.19 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.38 1x4t h ASN 46 Cb 0.84 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.14 1x4t h ASN 46 CO -0.00 0.57 -0.96 0.00 -1.65 0.00 0.00 177.43 175.39 1x4t n ALA 47 N -2.42 -2.26 -2.74 -0.83 0.00 0.65 -4.86 120.51 108.06 1x4t n ALA 47 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.00 1x4t n ALA 47 Cb 0.59 -1.94 0.10 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.18 1.94 0.00 0.00 0.00 -1.26 -4.90 105.19 98.79 1x4t n GLY 48 Ca -0.23 -0.52 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.17 0.00 0.00 0.99 4.77 -1.26 -5.12 117.00 115.21 1x4t n LEU 49 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1x4t n LEU 49 Cb 0.85 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1x4t n LEU 49 CO -0.07 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1x4t n GLY 50 N 2.80 4.03 0.28 -0.72 0.00 -1.26 -4.69 105.19 105.63 1x4t n GLY 50 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 -0.14 -0.32 1.61 1.02 -1.26 0.23 120.64 121.78 1x4t n GLU 51 Ca 0.00 1.14 -0.03 0.00 -0.02 0.00 0.00 57.16 58.25 1x4t n GLU 51 Cb 0.00 -1.69 0.10 0.00 -0.02 0.00 0.00 31.44 29.82 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 1.07 0.21 -0.32 -1.00 -2.00 -2.21 116.94 112.70 1x4t h PHE 52 Ca 0.28 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.08 1x4t h PHE 52 Cb 0.47 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1x4t h PHE 52 CO -0.62 0.65 -0.10 0.00 -1.61 0.00 0.00 178.31 176.62 1x4t h ARG 53 N 1.13 -0.28 -1.01 1.51 2.47 0.26 -1.33 114.38 117.14 1x4t h ARG 53 Ca 0.33 0.02 0.23 0.00 -1.26 0.00 0.00 59.98 59.30 1x4t h ARG 53 Cb -0.08 0.06 -0.11 0.00 -1.65 0.00 0.00 29.97 28.20 1x4t h ARG 53 CO -0.09 0.01 0.62 0.82 0.56 0.00 0.00 179.97 181.89 1x4t h ILE 54 N -0.56 0.60 -0.15 2.04 5.03 -0.28 0.16 117.51 124.35 1x4t h ILE 54 Ca -0.03 -0.20 -0.13 0.00 -0.12 0.00 0.00 64.86 64.38 1x4t h ILE 54 Cb 0.41 -0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.17 1x4t h ILE 54 CO 0.05 0.11 -0.41 0.03 -0.68 0.00 0.00 178.15 177.24 1x4t h ARG 55 N 0.59 0.54 -0.09 2.37 2.47 -1.27 -2.34 114.38 116.65 1x4t h ARG 55 Ca 0.60 -0.38 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1x4t h ARG 55 Cb 1.18 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 1x4t h ARG 55 CO -0.38 1.00 -0.08 -0.44 0.56 0.00 0.00 179.97 180.63 1x4t h ASP 56 N 0.17 0.12 0.26 7.04 3.32 0.17 -1.14 116.42 126.37 1x4t h ASP 56 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1x4t h ASP 56 Cb 1.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1x4t h ASP 56 CO 0.09 0.23 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.64 1x4t h LEU 57 N 0.13 -0.30 -2.12 1.55 3.38 -0.72 -3.20 115.31 114.03 1x4t h LEU 57 Ca 0.03 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1x4t h LEU 57 Cb 0.24 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1x4t h LEU 57 CO 0.01 0.05 0.31 -0.55 0.09 0.00 0.00 178.44 178.35 1x4t h ASN 58 N -0.87 0.00 -0.63 -0.43 7.08 -1.41 0.10 115.58 119.43 1x4t h ASN 58 Ca -0.04 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.12 1x4t h ASN 58 Cb 0.27 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.48 1x4t h ASN 58 CO 0.06 0.00 0.15 -0.78 -2.08 0.00 0.00 177.43 174.78 1x4t h ASP 59 N 0.00 0.95 0.05 6.14 3.58 -1.23 -3.05 116.42 122.86 1x4t h ASP 59 Ca 0.11 -0.23 -0.25 0.00 0.42 0.00 0.00 57.03 57.07 1x4t h ASP 59 Cb 0.73 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.54 1x4t h ASP 59 CO -0.00 0.94 -0.96 -0.33 -2.88 0.00 0.00 179.24 176.01 1x4t h GLU 60 N 0.92 0.65 -0.16 0.28 4.39 -0.99 -3.33 114.58 116.35 1x4t h GLU 60 Ca 0.20 -0.66 0.01 0.00 0.34 0.00 0.00 59.36 59.25 1x4t h GLU 60 Cb 0.36 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1x4t h GLU 60 CO 0.00 1.26 -0.10 0.82 -1.16 0.00 0.00 179.01 179.83 1x4t h ILE 61 N 0.39 0.00 -0.71 3.13 1.08 -1.33 0.95 117.51 121.02 1x4t h ILE 61 Ca -0.10 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.49 1x4t h ILE 61 Cb 1.60 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.22 1x4t h ILE 61 CO 0.19 0.00 -0.33 0.78 -0.69 0.00 0.00 178.15 178.10 1x4t h ASN 62 N -0.00 -1.17 -0.90 1.72 2.35 -1.70 0.41 115.58 116.29 1x4t h ASN 62 Ca 0.03 0.25 0.19 0.00 -0.55 0.00 0.00 56.30 56.22 1x4t h ASN 62 Cb 0.07 0.61 -0.11 0.00 0.05 0.00 0.00 38.32 38.93 1x4t h ASN 62 CO -0.15 -0.29 0.46 0.11 -1.65 0.00 0.00 177.43 175.90 1x4t h LYS 63 N -0.10 0.53 -0.31 0.81 1.79 -1.19 0.07 116.57 118.16 1x4t h LYS 63 Ca 0.28 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.60 1x4t h LYS 63 Cb 0.56 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1x4t h LYS 63 CO -0.77 0.35 -0.25 -0.07 -1.08 0.00 0.00 179.45 177.63 1x4t h LEU 64 N 0.54 0.75 0.21 2.94 3.38 0.20 -3.22 115.31 120.11 1x4t h LEU 64 Ca 0.54 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1x4t h LEU 64 Cb 0.91 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1x4t h LEU 64 CO -0.44 1.04 -0.30 0.25 0.09 0.00 0.00 178.44 179.08 1x4t h LEU 65 N 0.47 -0.84 -0.99 1.67 5.85 0.10 -1.96 115.31 119.61 1x4t h LEU 65 Ca 0.06 0.09 0.32 0.00 0.84 0.00 0.00 57.88 59.18 1x4t h LEU 65 Cb 0.81 0.31 -0.15 0.00 0.37 0.00 0.00 40.66 41.99 1x4t h LEU 65 CO 0.06 -0.41 0.51 0.03 -0.34 0.00 0.00 178.44 178.30 1x4t h ARG 66 N -0.58 0.27 -0.75 1.25 3.08 -1.25 0.59 114.38 117.00 1x4t h ARG 66 Ca 0.01 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1x4t h ARG 66 Cb 0.57 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1x4t h ARG 66 CO -0.12 0.18 0.48 1.49 -1.07 0.00 0.00 179.97 180.92 1x4t h GLU 67 N 0.27 0.92 0.07 0.04 4.57 -1.37 -2.76 114.58 116.32 1x4t h GLU 67 Ca 0.72 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.84 1x4t h GLU 67 Cb 1.65 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1x4t h GLU 67 CO -0.63 0.61 -0.03 -0.22 -1.18 0.00 0.00 179.01 177.55 1x4t h LYS 68 N 0.94 -0.09 -0.90 1.92 3.64 0.33 -1.00 116.57 121.41 1x4t h LYS 68 Ca 0.29 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.94 1x4t h LYS 68 Cb -0.02 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1x4t h LYS 68 CO -0.10 -0.06 0.72 0.78 -2.27 0.00 0.00 179.45 178.53 1x4t h GLY 69 N -0.09 0.00 0.53 5.01 0.00 -1.16 0.22 103.07 107.57 1x4t h GLY 69 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 1x4t h GLY 69 CO 0.01 0.00 -1.32 0.45 0.00 0.00 0.00 176.54 175.68 1x4t h HIS 70 N 0.00 0.42 0.00 5.60 3.86 -1.26 -3.32 115.15 120.45 1x4t h HIS 70 Ca 0.43 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1x4t h HIS 70 Cb 1.87 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.32 1x4t h HIS 70 CO 0.00 1.52 0.00 0.91 0.86 0.00 0.00 177.93 181.22 1x4t n TRP 71 N -3.98 0.00 -0.36 2.45 7.02 -0.16 0.30 117.44 122.71 1x4t n TRP 71 Ca -0.24 0.00 0.31 0.00 -1.02 0.00 0.00 57.50 56.55 1x4t n TRP 71 Cb 0.87 -0.44 0.52 0.00 -2.42 0.00 0.00 31.31 29.85 1x4t n TRP 71 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1x4t n GLU 72 N -1.82 -0.03 0.07 -0.99 1.02 0.58 0.21 120.64 119.68 1x4t n GLU 72 Ca 0.00 0.99 -0.23 0.00 -0.02 0.00 0.00 57.16 57.90 1x4t n GLU 72 Cb 0.00 -1.93 -0.15 0.00 -0.02 0.00 0.00 31.44 29.34 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 1.01 -0.83 2.62 2.07 -1.65 -2.83 116.25 116.65 1x4t h VAL 73 Ca 0.69 -2.51 0.01 0.00 0.82 0.00 0.00 66.70 65.70 1x4t h VAL 73 Cb 2.18 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 34.72 1x4t h VAL 73 CO -0.38 0.82 0.54 -0.09 0.02 0.00 0.00 177.57 178.48 1x4t h ARG 74 N 0.02 1.09 -0.38 1.57 9.65 0.71 -1.29 114.38 125.76 1x4t h ARG 74 Ca -0.32 -0.07 0.11 0.00 -1.10 0.00 0.00 59.98 58.60 1x4t h ARG 74 Cb 2.03 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 30.35 1x4t h ARG 74 CO 0.17 0.73 0.33 0.82 2.80 0.00 0.00 179.97 184.82 1x4t h ILE 75 N 1.13 0.58 0.09 1.20 2.04 -0.68 -1.80 117.51 120.07 1x4t h ILE 75 Ca 0.30 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.89 1x4t h ILE 75 Cb -0.12 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1x4t h ILE 75 CO -0.06 0.00 -1.42 0.50 0.00 0.00 0.00 178.15 177.17 1x4t h LYS 76 N 0.00 0.20 -0.44 2.37 3.64 -1.31 0.38 116.57 121.42 1x4t h LYS 76 Ca 0.18 -0.34 0.13 0.00 -1.27 0.00 0.00 60.65 59.34 1x4t h LYS 76 Cb 0.84 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1x4t h LYS 76 CO -0.00 1.16 0.49 0.93 -2.27 0.00 0.00 179.45 179.76 1x4t h GLU 77 N -0.39 0.00 0.00 1.90 5.08 -0.74 0.51 114.58 120.93 1x4t h GLU 77 Ca -0.32 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.85 1x4t h GLU 77 Cb 1.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.92 1x4t h GLU 77 CO 0.02 0.00 -1.15 -0.07 -1.00 0.00 0.00 179.01 176.81 1x4t h LEU 78 N 0.00 0.00 0.00 1.33 4.07 -1.55 -3.48 115.31 115.68 1x4t h LEU 78 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1x4t h LEU 78 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1x4t h LEU 78 CO -0.00 0.80 0.00 0.61 -1.08 0.00 0.00 178.44 178.77 1x4t n GLY 79 N 1.38 1.30 0.00 0.83 0.00 0.18 -4.98 105.19 103.90 1x4t n GLY 79 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 5.44 3.77 -0.02 0.00 0.12 -4.99 105.19 109.51 1x4t n GLY 80 Ca 0.00 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 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 1.87 4.25 -0.64 1.61 0.04 -1.26 -4.37 135.00 136.51 1x4t s PRO 81 Ca 0.00 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 1x4t s PRO 81 Cb 0.00 -2.90 0.11 0.00 0.04 0.00 0.00 34.50 31.75 1x4t s PRO 81 CO 0.00 -0.19 0.77 0.16 0.04 0.00 0.00 177.00 177.78 1x4t s ASP 82 N -0.86 6.24 0.16 6.66 1.47 -1.26 -3.57 116.67 125.51 1x4t s ASP 82 Ca 0.52 -1.48 0.23 0.00 1.18 0.00 0.00 52.55 52.99 1x4t s ASP 82 Cb -0.34 -2.32 -0.01 0.00 -0.34 0.00 0.00 42.92 39.91 1x4t s ASP 82 CO 0.44 -1.13 1.00 -1.22 0.68 0.00 0.00 175.17 174.94 1x4t n TYR 83 N 6.41 0.77 0.11 2.11 4.01 -1.07 -4.02 117.16 125.47 1x4t n TYR 83 Ca -0.05 0.22 -0.02 0.00 -0.16 0.00 0.00 57.90 57.89 1x4t n TYR 83 Cb 0.43 -0.84 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 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 4.08 0.00 -0.13 2.72 0.00 -1.87 -3.36 103.07 104.51 1x4t h GLY 84 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1x4t h GLY 84 CO 0.00 0.00 -0.15 1.70 0.00 0.00 0.00 176.54 178.09 1x4t h LYS 85 N 0.00 -0.09 -6.22 4.80 1.63 -1.89 -3.39 116.57 111.40 1x4t h LYS 85 Ca -0.01 0.01 -0.68 0.00 -0.85 0.00 0.00 60.65 59.12 1x4t h LYS 85 Cb 1.49 0.02 0.02 0.00 -0.60 0.00 0.00 32.23 33.16 1x4t h LYS 85 CO 0.09 -0.06 0.93 1.33 -3.45 0.00 0.00 179.45 178.30 1x4t n VAL 86 N -3.46 0.36 -3.64 2.00 0.24 -1.26 -4.92 118.33 107.65 1x4t n VAL 86 Ca -0.01 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.34 61.84 1x4t n VAL 86 Cb 0.09 -1.44 -0.09 0.00 -1.47 0.00 0.00 33.84 30.93 1x4t n VAL 86 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x4t s SER 87 N 3.33 5.53 0.81 -1.34 0.01 -1.26 -5.03 113.70 115.75 1x4t s SER 87 Ca 0.94 -2.61 0.00 0.00 1.31 0.00 0.00 55.95 55.59 1x4t s SER 87 Cb -0.90 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 63.40 1x4t s SER 87 CO 0.57 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1x4t n GLY 88 N 3.88 -0.89 0.24 3.44 0.00 -1.26 -3.80 105.19 106.80 1x4t n GLY 88 Ca 0.05 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 -1.96 1.61 0.13 -2.04 -3.25 132.00 126.49 1x4t h PRO 89 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 1x4t h PRO 89 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1x4t h PRO 89 CO 0.00 0.15 -0.07 -1.13 -0.23 0.00 0.00 178.00 176.72 1x4t n SER 90 N -3.36 5.66 -3.58 1.44 3.41 -1.25 -4.80 113.62 111.14 1x4t n SER 90 Ca -0.00 -2.69 -0.17 0.00 -0.26 0.00 0.00 58.87 55.75 1x4t n SER 90 Cb 0.36 -1.30 -0.07 0.00 -0.26 0.00 0.00 64.21 62.94 1x4t n SER 90 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4t s SER 91 N 1.45 -0.53 0.00 4.04 1.04 -1.23 -4.85 113.70 113.62 1x4t s SER 91 Ca 0.52 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1x4t s SER 91 Cb 0.28 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1x4t s SER 91 CO -0.05 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.19