#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1he4 s ALA 2 N 0.00 2.47 0.25 3.17 0.00 -1.26 -4.96 121.76 121.43 1he4 s ALA 2 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1he4 s ALA 2 Cb 0.00 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 1he4 s ALA 2 CO 0.00 -1.26 1.53 0.08 0.00 0.00 0.00 175.76 176.11 1he4 s VAL 3 N -2.24 2.40 0.00 0.00 1.01 -1.26 -4.88 120.40 115.43 1he4 s VAL 3 Ca 0.68 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1he4 s VAL 3 Cb -0.22 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1he4 s VAL 3 CO 0.40 0.05 0.00 0.29 0.00 0.00 0.00 175.10 175.84 1he4 n LYS 4 N 2.56 0.00 -4.08 2.72 5.02 -1.26 -5.01 118.16 118.11 1he4 n LYS 4 Ca 0.09 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.03 1he4 n LYS 4 Cb 0.39 -0.80 -0.12 0.00 -0.02 0.00 0.00 35.03 34.48 1he4 n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1he4 s LYS 5 N -1.99 3.74 0.07 1.97 1.02 -1.26 -0.72 119.74 122.57 1he4 s LYS 5 Ca 0.00 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.56 1he4 s LYS 5 Cb 0.00 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1he4 s LYS 5 CO 0.00 0.11 -0.10 0.96 -0.92 0.00 0.00 175.35 175.40 1he4 s ILE 6 N 0.77 0.83 -0.11 2.17 -4.36 -0.49 -0.17 121.20 119.84 1he4 s ILE 6 Ca 0.01 -1.39 -0.06 0.00 -0.26 0.00 0.00 60.65 58.95 1he4 s ILE 6 Cb -0.14 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 1he4 s ILE 6 CO 0.02 -0.44 0.10 0.00 0.24 0.00 0.00 174.94 174.86 1he4 s ALA 7 N -1.90 3.72 -0.14 2.27 0.00 -0.82 -0.88 121.76 124.02 1he4 s ALA 7 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1he4 s ALA 7 Cb -0.06 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1he4 s ALA 7 CO 0.00 0.61 -0.16 0.42 0.00 0.00 0.00 175.76 176.64 1he4 s ILE 8 N -0.99 2.70 -0.11 0.00 1.01 -0.08 -0.78 121.20 122.96 1he4 s ILE 8 Ca 0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1he4 s ILE 8 Cb -0.12 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1he4 s ILE 8 CO 0.04 0.53 0.08 -0.36 0.00 0.00 0.00 174.94 175.22 1he4 s PHE 9 N 0.57 3.41 -0.20 3.97 0.08 -0.05 -3.33 117.98 122.43 1he4 s PHE 9 Ca -0.10 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1he4 s PHE 9 Cb -0.16 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1he4 s PHE 9 CO 0.04 0.62 0.00 0.41 -0.10 0.00 0.00 175.22 176.18 1he4 n GLY 10 N 2.07 0.36 0.14 4.36 0.00 -1.26 -0.44 105.19 110.42 1he4 n GLY 10 Ca -0.19 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1he4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1he4 n ALA 11 N -0.50 1.61 1.18 4.61 0.00 -1.26 -2.28 120.51 123.87 1he4 n ALA 11 Ca -0.02 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1he4 n ALA 11 Cb 0.39 -1.39 0.25 0.00 0.00 0.00 0.00 19.45 18.70 1he4 n ALA 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1he4 n THR 12 N -2.28 0.00 -1.72 0.00 -2.24 -1.26 -1.40 114.28 105.38 1he4 n THR 12 Ca 0.02 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 1he4 n THR 12 Cb 0.22 1.02 0.14 0.00 -2.10 0.00 0.00 70.33 69.61 1he4 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1he4 n GLY 13 N 1.31 -1.23 0.12 3.38 0.00 -0.97 -4.68 105.19 103.13 1he4 n GLY 13 Ca 0.15 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1he4 n GLY 13 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1he4 h GLN 14 N 0.00 -0.13 0.11 1.61 4.15 -1.92 0.17 115.11 119.10 1he4 h GLN 14 Ca -0.30 0.01 -0.27 0.00 0.77 0.00 0.00 58.65 58.86 1he4 h GLN 14 Cb 0.84 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 1he4 h GLN 14 CO 0.22 -0.09 -1.23 1.15 -1.93 0.00 0.00 178.83 176.95 1he4 h THR 15 N -0.14 1.50 -0.93 2.39 2.02 -1.89 -3.33 112.91 112.54 1he4 h THR 15 Ca 0.03 -3.10 0.01 0.00 0.77 0.00 0.00 66.41 64.13 1he4 h THR 15 Cb 0.17 2.92 -0.05 0.00 -1.74 0.00 0.00 68.15 69.46 1he4 h THR 15 CO -0.08 0.90 0.61 1.23 0.37 0.00 0.00 175.52 178.55 1he4 h GLY 16 N 1.80 1.31 0.98 2.16 0.00 -1.56 -0.70 103.07 107.06 1he4 h GLY 16 Ca -0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1he4 h GLY 16 CO 0.19 0.46 0.25 1.41 0.00 0.00 0.00 176.54 178.85 1he4 h LEU 17 N 1.24 0.55 -0.37 3.11 3.38 0.26 0.19 115.31 123.67 1he4 h LEU 17 Ca 0.35 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 1he4 h LEU 17 Cb -0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1he4 h LEU 17 CO -0.08 0.48 -0.82 0.00 0.09 0.00 0.00 178.44 178.11 1he4 h THR 18 N 0.58 1.48 -0.67 0.22 1.03 -1.64 -1.32 112.91 112.60 1he4 h THR 18 Ca 0.16 -2.51 -0.02 0.00 -0.01 0.00 0.00 66.41 64.03 1he4 h THR 18 Cb 0.04 2.38 -0.03 0.00 -1.07 0.00 0.00 68.15 69.47 1he4 h THR 18 CO -0.03 0.73 0.35 0.74 -0.01 0.00 0.00 175.52 177.30 1he4 h THR 19 N 0.11 1.22 -0.01 0.00 2.02 -0.82 -0.19 112.91 115.23 1he4 h THR 19 Ca -0.03 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1he4 h THR 19 Cb 1.42 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1he4 h THR 19 CO 0.12 0.24 0.00 0.25 0.37 0.00 0.00 175.52 176.51 1he4 h LEU 20 N 0.92 0.01 -0.52 2.58 5.85 -0.50 0.96 115.31 124.61 1he4 h LEU 20 Ca 0.23 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1he4 h LEU 20 Cb 0.08 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1he4 h LEU 20 CO -0.03 0.04 0.32 0.00 -0.34 0.00 0.00 178.44 178.42 1he4 h ALA 21 N 0.97 0.66 -0.64 1.25 0.00 -1.07 -1.17 119.26 119.26 1he4 h ALA 21 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1he4 h ALA 21 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1he4 h ALA 21 CO -0.00 0.04 0.19 1.96 0.00 0.00 0.00 179.25 181.45 1he4 h GLN 22 N 0.65 0.99 -0.51 0.00 4.20 -0.89 -0.38 115.11 119.17 1he4 h GLN 22 Ca 0.20 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1he4 h GLN 22 Cb -0.01 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1he4 h GLN 22 CO -0.08 0.88 0.15 0.00 -0.67 0.00 0.00 178.83 179.11 1he4 h ALA 23 N 1.07 0.67 -0.48 3.87 0.00 -0.31 0.18 119.26 124.25 1he4 h ALA 23 Ca 0.20 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1he4 h ALA 23 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1he4 h ALA 23 CO -0.01 0.34 0.02 0.28 0.00 0.00 0.00 179.25 179.89 1he4 h VAL 24 N 0.70 1.26 -0.23 0.00 2.07 -1.06 -1.77 116.25 117.21 1he4 h VAL 24 Ca 0.16 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1he4 h VAL 24 Cb 0.29 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1he4 h VAL 24 CO -0.00 0.36 0.04 -0.61 0.02 0.00 0.00 177.57 177.37 1he4 h GLN 25 N 0.70 0.33 0.00 1.57 5.75 -0.74 -1.62 115.11 121.10 1he4 h GLN 25 Ca 0.14 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1he4 h GLN 25 Cb 0.48 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1he4 h GLN 25 CO 0.02 0.33 0.00 0.00 -2.65 0.00 0.00 178.83 176.53 1he4 n ALA 26 N -2.49 1.96 0.00 3.38 0.00 0.02 -4.90 120.51 118.47 1he4 n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1he4 n ALA 26 Cb 0.17 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1he4 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1he4 n GLY 27 N 0.63 0.85 3.79 0.00 0.00 -0.61 -5.08 105.19 104.77 1he4 n GLY 27 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1he4 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1he4 s TYR 28 N -2.00 2.93 -0.46 1.61 2.02 -0.69 -5.00 117.35 115.76 1he4 s TYR 28 Ca 0.00 1.55 -0.18 0.00 -0.37 0.00 0.00 57.07 58.06 1he4 s TYR 28 Cb 0.00 -3.08 0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1he4 s TYR 28 CO 0.00 -1.07 0.54 -2.00 -1.57 0.00 0.00 175.55 171.45 1he4 s GLU 29 N -3.55 3.13 -0.14 -0.62 2.12 0.10 -4.50 118.70 115.24 1he4 s GLU 29 Ca 0.67 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 1he4 s GLU 29 Cb -0.17 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.16 1he4 s GLU 29 CO 0.27 -1.03 -0.04 0.08 -0.54 0.00 0.00 175.26 174.00 1he4 s VAL 30 N 2.39 3.86 -0.10 3.70 1.01 -1.26 -1.39 120.40 128.60 1he4 s VAL 30 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1he4 s VAL 30 Cb -0.18 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1he4 s VAL 30 CO 0.13 0.52 -0.06 -0.89 0.00 0.00 0.00 175.10 174.80 1he4 s THR 31 N 0.10 3.72 0.08 3.92 2.01 -0.06 -0.91 115.64 124.49 1he4 s THR 31 Ca -0.01 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.62 1he4 s THR 31 Cb -0.14 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1he4 s THR 31 CO 0.03 0.56 -0.23 0.68 -0.69 0.00 0.00 174.62 174.97 1he4 s VAL 32 N -0.32 1.87 -0.25 3.82 -7.23 -0.58 -0.90 120.40 116.80 1he4 s VAL 32 Ca 0.05 -1.44 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 1he4 s VAL 32 Cb -0.13 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 1he4 s VAL 32 CO 0.02 0.13 0.09 -0.22 -0.31 0.00 0.00 175.10 174.82 1he4 s LEU 33 N -1.56 3.55 0.01 1.32 2.96 -1.21 -0.38 118.68 123.37 1he4 s LEU 33 Ca 0.09 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1he4 s LEU 33 Cb -0.10 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1he4 s LEU 33 CO 0.03 -0.03 -0.08 0.68 -1.32 0.00 0.00 176.35 175.63 1he4 s VAL 34 N 1.60 0.61 0.15 1.68 -7.23 -0.19 -4.44 120.40 112.59 1he4 s VAL 34 Ca 0.06 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1he4 s VAL 34 Cb -0.15 -0.55 -0.16 0.00 0.56 0.00 0.00 36.38 36.07 1he4 s VAL 34 CO 0.05 0.04 1.35 0.03 -0.31 0.00 0.00 175.10 176.25 1he4 h ARG 35 N 5.57 0.26 -3.31 4.82 3.08 -1.82 -0.09 114.38 122.90 1he4 h ARG 35 Ca -0.31 -0.29 -0.52 0.00 0.07 0.00 0.00 59.98 58.93 1he4 h ARG 35 Cb 1.19 0.08 -0.40 0.00 0.08 0.00 0.00 29.97 30.92 1he4 h ARG 35 CO 0.47 1.01 -0.76 0.34 -1.07 0.00 0.00 179.97 179.96 1he4 s ASP 36 N -6.98 3.07 0.21 7.04 -1.08 -1.26 -4.63 116.67 113.04 1he4 s ASP 36 Ca -0.04 -0.98 0.21 0.00 -0.52 0.00 0.00 52.55 51.22 1he4 s ASP 36 Cb 0.10 -0.52 0.90 0.00 -1.46 0.00 0.00 42.92 41.93 1he4 s ASP 36 CO 0.84 -0.36 1.63 -1.54 0.52 0.00 0.00 175.17 176.27 1he4 n SER 37 N 5.10 0.51 0.08 -0.34 3.41 -1.26 -1.98 113.62 119.14 1he4 n SER 37 Ca -0.07 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 1he4 n SER 37 Cb 0.46 -0.74 0.41 0.00 -0.26 0.00 0.00 64.21 64.08 1he4 n SER 37 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1he4 n SER 38 N -2.08 0.40 -0.25 4.04 3.41 -1.26 -1.85 113.62 116.03 1he4 n SER 38 Ca 0.02 0.61 0.15 0.00 -0.26 0.00 0.00 58.87 59.38 1he4 n SER 38 Cb 0.19 -0.69 0.67 0.00 -0.26 0.00 0.00 64.21 64.12 1he4 n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1he4 n ARG 39 N -1.95 1.24 -3.36 4.33 1.74 -0.84 -4.77 116.66 113.04 1he4 n ARG 39 Ca 0.02 -0.51 -0.37 0.00 -0.77 0.00 0.00 57.85 56.23 1he4 n ARG 39 Cb 0.18 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1he4 n ARG 39 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1he4 s LEU 40 N -2.11 4.42 0.64 0.55 1.43 -0.77 -4.85 118.68 117.99 1he4 s LEU 40 Ca 0.39 1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 1he4 s LEU 40 Cb 0.21 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1he4 s LEU 40 CO 0.38 0.19 1.04 -2.16 0.23 0.00 0.00 176.35 176.03 1he4 s PRO 41 N -1.57 3.32 -0.11 1.29 0.04 -1.26 -5.01 135.00 131.71 1he4 s PRO 41 Ca 0.33 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1he4 s PRO 41 Cb -0.17 -2.04 -0.27 0.00 0.04 0.00 0.00 34.50 32.06 1he4 s PRO 41 CO 0.18 -0.79 0.48 0.66 0.04 0.00 0.00 177.00 177.57 1he4 h SER 42 N -0.27 0.42 -4.37 6.66 4.64 -1.96 -3.48 113.55 115.20 1he4 h SER 42 Ca -0.45 -0.88 -0.51 0.00 -0.47 0.00 0.00 61.79 59.49 1he4 h SER 42 Cb 1.20 -0.14 0.07 0.00 -0.31 0.00 0.00 62.40 63.23 1he4 h SER 42 CO 0.59 1.74 0.41 -1.83 -0.87 0.00 0.00 176.83 176.87 1he4 s GLU 43 N -2.52 3.37 0.48 4.77 1.03 -1.26 -4.90 118.70 119.67 1he4 s GLU 43 Ca -0.21 0.76 0.00 0.00 0.03 0.00 0.00 54.97 55.55 1he4 s GLU 43 Cb 0.06 -2.05 0.00 0.00 -0.80 0.00 0.00 34.13 31.33 1he4 s GLU 43 CO 0.77 -0.74 0.00 0.41 -1.33 0.00 0.00 175.26 174.37 1he4 n GLY 44 N -2.62 -2.27 3.75 -3.83 0.00 -1.26 -4.89 105.19 94.07 1he4 n GLY 44 Ca 0.06 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 1he4 n GLY 44 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1he4 s PRO 45 N -0.45 3.23 0.00 1.61 0.02 -1.26 -5.02 135.00 133.13 1he4 s PRO 45 Ca 0.00 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.30 1he4 s PRO 45 Cb 0.00 -2.30 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 1he4 s PRO 45 CO 0.00 -1.12 -0.17 1.03 -0.33 0.00 0.00 177.00 176.41 1he4 s ARG 46 N -2.85 1.33 0.67 5.54 1.81 -1.26 -4.76 118.95 119.42 1he4 s ARG 46 Ca 0.70 -0.69 -0.16 0.00 -1.72 0.00 0.00 55.73 53.86 1he4 s ARG 46 Cb -0.40 -1.32 0.00 0.00 -0.45 0.00 0.00 34.95 32.78 1he4 s ARG 46 CO 0.48 0.35 1.18 -1.25 -0.68 0.00 0.00 175.30 175.38 1he4 s PRO 47 N -0.62 2.58 0.24 3.54 0.04 -1.26 -4.93 135.00 134.59 1he4 s PRO 47 Ca 0.06 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1he4 s PRO 47 Cb -0.07 -1.89 0.25 0.00 0.04 0.00 0.00 34.50 32.83 1he4 s PRO 47 CO -0.00 -1.48 1.57 0.00 0.04 0.00 0.00 177.00 177.13 1he4 h ALA 48 N 0.19 0.86 -3.54 8.56 0.00 -1.38 -3.45 119.26 120.50 1he4 h ALA 48 Ca -0.48 -0.52 -0.25 0.00 0.00 0.00 0.00 54.91 53.66 1he4 h ALA 48 Cb 1.28 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 1he4 h ALA 48 CO 0.53 0.70 -0.68 -1.01 0.00 0.00 0.00 179.25 178.78 1he4 s HIS 49 N -3.87 -0.04 -0.16 0.00 3.76 -0.68 -5.00 115.29 109.31 1he4 s HIS 49 Ca -0.05 0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.04 1he4 s HIS 49 Cb 0.12 -0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.74 1he4 s HIS 49 CO 0.80 -0.07 -0.17 0.08 -0.85 0.00 0.00 174.74 174.54 1he4 s VAL 50 N 0.58 1.76 -0.20 -0.90 1.01 -1.26 -1.53 120.40 119.85 1he4 s VAL 50 Ca -0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1he4 s VAL 50 Cb -0.07 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1he4 s VAL 50 CO -0.02 0.49 0.07 -0.69 0.00 0.00 0.00 175.10 174.95 1he4 s VAL 51 N 1.37 4.67 -0.21 2.92 1.01 0.49 -4.98 120.40 125.67 1he4 s VAL 51 Ca 0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1he4 s VAL 51 Cb -0.13 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1he4 s VAL 51 CO -0.11 0.42 0.38 -0.69 0.00 0.00 0.00 175.10 175.10 1he4 s VAL 52 N 0.78 5.21 -3.19 2.92 1.01 -1.26 -1.02 120.40 124.84 1he4 s VAL 52 Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1he4 s VAL 52 Cb -0.13 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1he4 s VAL 52 CO 0.02 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1he4 n GLY 53 N 4.05 -0.80 3.11 4.51 0.00 -0.05 -4.92 105.19 111.09 1he4 n GLY 53 Ca -0.09 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 1he4 n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1he4 s ASP 54 N -4.00 1.84 0.22 1.61 -1.08 -1.26 -2.73 116.67 111.26 1he4 s ASP 54 Ca 0.00 -0.29 0.21 0.00 -0.52 0.00 0.00 52.55 51.94 1he4 s ASP 54 Cb 0.00 -0.40 0.91 0.00 -1.46 0.00 0.00 42.92 41.97 1he4 s ASP 54 CO 0.00 0.15 1.63 0.55 0.52 0.00 0.00 175.17 178.01 1he4 n VAL 55 N 3.02 0.95 1.28 1.11 3.14 -1.26 -1.50 118.33 125.07 1he4 n VAL 55 Ca -0.17 0.34 0.14 0.00 -2.96 0.00 0.00 64.34 61.69 1he4 n VAL 55 Cb 0.54 -1.26 0.59 0.00 -1.06 0.00 0.00 33.84 32.65 1he4 n VAL 55 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1he4 n LEU 56 N -2.09 0.29 -4.39 6.55 4.77 -1.26 -4.40 117.00 116.48 1he4 n LEU 56 Ca 0.02 0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 1he4 n LEU 56 Cb 0.17 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1he4 n LEU 56 CO 0.16 0.06 -0.17 -1.10 -1.33 0.00 0.00 177.39 175.01 1he4 s GLN 57 N -2.66 2.92 0.27 3.23 -1.52 -0.56 -4.98 119.66 116.36 1he4 s GLN 57 Ca 0.24 -1.01 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 1he4 s GLN 57 Cb 0.20 -3.69 0.55 0.00 -0.22 0.00 0.00 33.01 29.84 1he4 s GLN 57 CO 0.51 -0.64 1.78 0.00 -0.25 0.00 0.00 175.29 176.69 1he4 h ALA 58 N 8.42 1.36 -0.34 6.09 0.00 -1.84 -1.03 119.26 131.92 1he4 h ALA 58 Ca -0.27 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1he4 h ALA 58 Cb 1.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1he4 h ALA 58 CO 0.66 -0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 1he4 h ALA 59 N 1.56 1.29 -0.34 0.00 0.00 -1.93 0.22 119.26 120.06 1he4 h ALA 59 Ca 0.48 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1he4 h ALA 59 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1he4 h ALA 59 CO -0.34 0.48 -0.22 -0.44 0.00 0.00 0.00 179.25 178.72 1he4 h ASP 60 N 0.51 0.79 -0.52 0.00 3.32 -1.48 -1.91 116.42 117.13 1he4 h ASP 60 Ca 0.10 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1he4 h ASP 60 Cb 0.41 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1he4 h ASP 60 CO 0.02 1.05 0.13 0.58 -1.72 0.00 0.00 179.24 179.30 1he4 h VAL 61 N 0.54 1.24 -0.77 -1.35 2.07 -0.91 -2.57 116.25 114.49 1he4 h VAL 61 Ca 0.07 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1he4 h VAL 61 Cb 0.78 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1he4 h VAL 61 CO 0.06 0.31 0.50 -0.78 0.02 0.00 0.00 177.57 177.69 1he4 h ASP 62 N 0.73 0.86 -0.32 0.57 1.82 -0.39 -0.63 116.42 119.05 1he4 h ASP 62 Ca 0.16 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1he4 h ASP 62 Cb 0.33 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1he4 h ASP 62 CO 0.00 0.61 0.20 0.11 -1.61 0.00 0.00 179.24 178.56 1he4 h LYS 63 N 1.01 0.44 0.17 0.28 1.57 -1.19 -1.49 116.57 117.36 1he4 h LYS 63 Ca 0.29 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.74 1he4 h LYS 63 Cb -0.08 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.15 1he4 h LYS 63 CO -0.08 0.30 -1.34 1.15 -0.57 0.00 0.00 179.45 178.92 1he4 h THR 64 N 0.45 1.41 0.00 -0.16 2.02 -0.85 -3.33 112.91 112.45 1he4 h THR 64 Ca 0.12 -2.94 -0.11 0.00 0.77 0.00 0.00 66.41 64.25 1he4 h THR 64 Cb -0.03 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 1he4 h THR 64 CO -0.02 0.87 -0.73 0.58 0.37 0.00 0.00 175.52 176.59 1he4 h VAL 65 N 0.10 0.69 -2.41 3.16 2.07 -0.89 -3.44 116.25 115.52 1he4 h VAL 65 Ca -0.18 -2.05 -0.59 0.00 0.82 0.00 0.00 66.70 64.71 1he4 h VAL 65 Cb 2.04 2.26 0.07 0.00 -1.52 0.00 0.00 31.29 34.13 1he4 h VAL 65 CO 0.22 0.39 0.72 0.00 0.02 0.00 0.00 177.57 178.92 1he4 n ALA 66 N -2.26 1.20 -0.33 1.67 0.00 -0.58 -2.01 120.51 118.20 1he4 n ALA 66 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1he4 n ALA 66 Cb 0.74 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1he4 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1he4 n GLY 67 N 2.91 1.54 3.90 0.00 0.00 -1.26 -5.02 105.19 107.25 1he4 n GLY 67 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1he4 n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1he4 s GLN 68 N -0.29 3.36 -0.02 1.61 -1.52 -0.85 -4.91 119.66 117.05 1he4 s GLN 68 Ca 0.00 0.35 0.17 0.00 -1.95 0.00 0.00 55.36 53.93 1he4 s GLN 68 Cb 0.00 -2.23 -0.19 0.00 -0.22 0.00 0.00 33.01 30.37 1he4 s GLN 68 CO 0.00 -0.50 0.61 -0.25 -0.25 0.00 0.00 175.29 174.90 1he4 n ASP 69 N -2.55 0.60 -3.73 5.90 8.00 0.76 -4.71 116.55 120.82 1he4 n ASP 69 Ca 0.04 0.27 -0.09 0.00 0.71 0.00 0.00 54.79 55.72 1he4 n ASP 69 Cb 0.55 0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 42.11 1he4 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1he4 s ALA 70 N -2.84 -1.31 -0.03 2.24 0.00 -1.13 -4.37 121.76 114.32 1he4 s ALA 70 Ca -0.05 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1he4 s ALA 70 Cb 0.09 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.07 1he4 s ALA 70 CO 0.83 -0.95 -0.11 0.08 0.00 0.00 0.00 175.76 175.61 1he4 s VAL 71 N -3.87 0.91 -0.12 0.00 1.01 -0.08 -1.94 120.40 116.32 1he4 s VAL 71 Ca 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1he4 s VAL 71 Cb -0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1he4 s VAL 71 CO 0.01 0.28 -0.08 -0.63 0.00 0.00 0.00 175.10 174.68 1he4 s ILE 72 N 0.20 3.57 -0.23 2.22 1.01 0.04 -0.61 121.20 127.39 1he4 s ILE 72 Ca -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1he4 s ILE 72 Cb -0.10 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.89 1he4 s ILE 72 CO 0.01 0.53 -0.10 -0.69 0.00 0.00 0.00 174.94 174.69 1he4 s VAL 73 N 0.05 2.64 -0.21 2.92 1.01 -0.01 -0.87 120.40 125.93 1he4 s VAL 73 Ca -0.02 -1.04 0.16 0.00 0.00 0.00 0.00 61.98 61.08 1he4 s VAL 73 Cb -0.14 -2.31 0.46 0.00 0.00 0.00 0.00 36.38 34.39 1he4 s VAL 73 CO 0.03 0.26 1.17 0.18 0.00 0.00 0.00 175.10 176.74 1he4 n LEU 74 N 4.64 2.80 -4.74 3.92 4.77 0.42 -1.13 117.00 127.67 1he4 n LEU 74 Ca -0.17 -3.58 -0.35 0.00 -0.03 0.00 0.00 56.01 51.87 1he4 n LEU 74 Cb 0.47 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1he4 n LEU 74 CO 0.26 1.37 0.83 -0.76 -1.33 0.00 0.00 177.39 177.76 1he4 s LEU 75 N -2.96 3.51 0.00 2.23 1.43 -1.23 -4.39 118.68 117.26 1he4 s LEU 75 Ca 0.38 2.40 -0.10 0.00 -1.03 0.00 0.00 54.13 55.78 1he4 s LEU 75 Cb 0.37 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 42.03 1he4 s LEU 75 CO -0.04 -1.91 0.45 0.61 0.23 0.00 0.00 176.35 175.69 1he4 n GLY 76 N 0.48 0.87 0.17 -3.19 0.00 -1.26 -4.99 105.19 97.27 1he4 n GLY 76 Ca 0.14 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.26 1he4 n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1he4 n THR 77 N -0.32 1.86 0.00 2.61 -2.24 -1.26 -4.97 114.28 109.97 1he4 n THR 77 Ca -0.00 -2.12 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 1he4 n THR 77 Cb 0.24 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1he4 n THR 77 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1he4 n ARG 78 N -1.24 0.00 -0.27 -0.78 1.74 -1.26 -0.75 116.66 114.10 1he4 n ARG 78 Ca 0.15 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.34 1he4 n ARG 78 Cb 0.64 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.35 1he4 n ARG 78 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1he4 n ASN 79 N 4.68 3.25 -4.62 0.55 3.02 -1.26 -4.87 115.26 116.01 1he4 n ASN 79 Ca 0.00 -1.98 -0.43 0.00 -0.03 0.00 0.00 54.58 52.15 1he4 n ASN 79 Cb 0.00 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 1he4 n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1he4 s ASP 80 N -1.15 6.75 -0.05 6.41 -1.08 0.07 -4.90 116.67 122.72 1he4 s ASP 80 Ca 0.41 0.73 0.19 0.00 -0.52 0.00 0.00 52.55 53.36 1he4 s ASP 80 Cb 0.22 -2.48 0.63 0.00 -1.46 0.00 0.00 42.92 39.82 1he4 s ASP 80 CO 0.29 -0.84 1.54 0.18 0.52 0.00 0.00 175.17 176.86 1he4 n LEU 81 N 6.75 4.16 -4.79 -1.34 4.77 -1.26 -4.76 117.00 120.52 1he4 n LEU 81 Ca 0.08 -2.22 -0.31 0.00 -0.03 0.00 0.00 56.01 53.53 1he4 n LEU 81 Cb 0.48 -0.49 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1he4 n LEU 81 CO 0.58 0.87 0.70 -0.44 -1.33 0.00 0.00 177.39 177.77 1he4 s SER 82 N -1.00 4.68 0.25 -1.43 0.01 -1.26 -4.45 113.70 110.50 1he4 s SER 82 Ca 0.46 1.60 -0.29 0.00 1.31 0.00 0.00 55.95 59.03 1he4 s SER 82 Cb 0.27 -2.37 -0.15 0.00 0.21 0.00 0.00 66.02 63.99 1he4 s SER 82 CO 0.27 -1.89 0.94 -2.65 0.41 0.00 0.00 173.24 170.32 1he4 n PRO 83 N -3.41 1.06 -3.58 12.44 -0.02 -1.26 -4.61 135.00 135.62 1he4 n PRO 83 Ca 0.08 0.37 -0.16 0.00 -2.02 0.00 0.00 63.50 61.77 1he4 n PRO 83 Cb 0.54 -1.69 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 1he4 n PRO 83 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1he4 s THR 84 N -0.90 0.00 -0.05 3.45 -1.32 -1.26 -5.01 115.64 110.55 1he4 s THR 84 Ca 0.62 -0.02 0.07 0.00 -1.21 0.00 0.00 61.69 61.15 1he4 s THR 84 Cb -0.77 -0.97 0.11 0.00 -1.51 0.00 0.00 72.50 69.35 1he4 s THR 84 CO 0.58 -0.01 0.98 0.35 -2.21 0.00 0.00 174.62 174.31 1he4 n THR 85 N 1.69 0.99 -0.06 5.08 -2.24 -1.26 -4.55 114.28 113.94 1he4 n THR 85 Ca -0.17 -1.12 -0.10 0.00 -2.27 0.00 0.00 64.05 60.39 1he4 n THR 85 Cb 0.56 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1he4 n THR 85 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1he4 h VAL 86 N 1.74 1.08 -0.22 2.28 2.07 -1.97 0.78 116.25 122.02 1he4 h VAL 86 Ca 0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1he4 h VAL 86 Cb 0.92 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1he4 h VAL 86 CO 0.00 0.08 0.03 0.24 0.02 0.00 0.00 177.57 177.94 1he4 h MET 87 N 0.28 0.36 -0.37 1.57 2.86 -1.91 0.68 114.93 118.41 1he4 h MET 87 Ca 0.08 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 1he4 h MET 87 Cb 0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1he4 h MET 87 CO -0.02 0.51 -0.41 0.66 1.06 0.00 0.00 176.91 178.72 1he4 h SER 88 N 0.16 1.01 -0.62 1.22 4.64 -1.73 0.81 113.55 119.03 1he4 h SER 88 Ca 0.07 -0.48 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 1he4 h SER 88 Cb 0.33 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1he4 h SER 88 CO 0.01 1.28 0.06 -0.33 -0.87 0.00 0.00 176.83 176.97 1he4 h GLU 89 N 0.75 1.07 -0.56 4.77 4.39 -0.84 0.00 114.58 124.17 1he4 h GLU 89 Ca 0.05 -0.31 0.04 0.00 0.34 0.00 0.00 59.36 59.49 1he4 h GLU 89 Cb 1.01 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1he4 h GLU 89 CO 0.10 1.01 0.31 0.78 -1.16 0.00 0.00 179.01 180.05 1he4 h GLY 90 N 1.03 0.80 1.17 -3.84 0.00 -0.65 -1.68 103.07 99.90 1he4 h GLY 90 Ca 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1he4 h GLY 90 CO 0.02 0.15 0.27 0.00 0.00 0.00 0.00 176.54 176.98 1he4 h ALA 91 N 1.29 1.14 -0.57 3.60 0.00 -0.43 0.11 119.26 124.40 1he4 h ALA 91 Ca 0.24 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1he4 h ALA 91 Cb 0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1he4 h ALA 91 CO -0.15 0.61 0.25 0.00 0.00 0.00 0.00 179.25 179.96 1he4 h ARG 92 N 1.03 0.45 -0.57 0.00 3.08 -0.50 0.07 114.38 117.93 1he4 h ARG 92 Ca 0.24 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1he4 h ARG 92 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1he4 h ARG 92 CO -0.02 0.30 0.00 -0.91 -1.07 0.00 0.00 179.97 178.27 1he4 h ASN 93 N 0.46 0.96 -0.48 7.04 2.35 -0.38 -1.88 115.58 123.66 1he4 h ASN 93 Ca 0.27 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1he4 h ASN 93 Cb 0.26 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1he4 h ASN 93 CO -0.23 1.02 0.22 0.40 -1.65 0.00 0.00 177.43 177.18 1he4 h ILE 94 N 0.91 1.20 -0.66 2.81 2.04 -0.17 -0.76 117.51 122.87 1he4 h ILE 94 Ca 0.17 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1he4 h ILE 94 Cb 0.53 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1he4 h ILE 94 CO 0.03 0.22 0.24 0.58 0.00 0.00 0.00 178.15 179.23 1he4 h VAL 95 N 0.64 1.24 -0.73 1.67 2.07 -0.86 0.14 116.25 120.41 1he4 h VAL 95 Ca 0.16 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1he4 h VAL 95 Cb 0.15 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1he4 h VAL 95 CO -0.02 0.31 0.21 0.00 0.02 0.00 0.00 177.57 178.09 1he4 h ALA 96 N 1.10 0.96 -0.37 1.67 0.00 -1.09 -0.98 119.26 120.56 1he4 h ALA 96 Ca 0.22 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1he4 h ALA 96 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1he4 h ALA 96 CO -0.01 0.67 -0.38 0.00 0.00 0.00 0.00 179.25 179.52 1he4 h ALA 97 N 1.11 0.62 -0.46 0.00 0.00 -0.68 -0.44 119.26 119.40 1he4 h ALA 97 Ca 0.23 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1he4 h ALA 97 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1he4 h ALA 97 CO -0.00 0.67 0.26 0.52 0.00 0.00 0.00 179.25 180.70 1he4 h MET 98 N 0.73 0.50 -0.38 0.00 2.86 -0.41 -1.79 114.93 116.45 1he4 h MET 98 Ca 0.06 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1he4 h MET 98 Cb 0.96 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1he4 h MET 98 CO 0.09 0.33 -0.16 0.87 1.06 0.00 0.00 176.91 179.11 1he4 h LYS 99 N 0.52 0.70 0.00 1.72 1.57 -1.01 0.61 116.57 120.67 1he4 h LYS 99 Ca 0.19 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1he4 h LYS 99 Cb 0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1he4 h LYS 99 CO -0.11 0.82 -0.13 0.00 -0.57 0.00 0.00 179.45 179.47 1he4 h ALA 100 N 1.20 1.16 -0.08 3.86 0.00 -0.66 -3.21 119.26 121.54 1he4 h ALA 100 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1he4 h ALA 100 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1he4 h ALA 100 CO 0.04 0.16 0.00 0.72 0.00 0.00 0.00 179.25 180.17 1he4 n HIS 101 N -3.47 0.10 -1.03 0.00 8.25 -0.71 -5.00 115.22 113.37 1he4 n HIS 101 Ca -0.01 -0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.17 1he4 n HIS 101 Cb 0.28 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 1he4 n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1he4 n GLY 102 N 0.07 0.49 3.76 -1.41 0.00 0.05 -4.74 105.19 103.41 1he4 n GLY 102 Ca 0.04 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1he4 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1he4 s VAL 103 N -1.98 4.88 0.00 1.61 1.01 -0.29 -4.98 120.40 120.66 1he4 s VAL 103 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1he4 s VAL 103 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1he4 s VAL 103 CO 0.00 0.41 0.78 -0.67 0.00 0.00 0.00 175.10 175.63 1he4 n ASP 104 N 2.71 1.22 -3.93 3.32 2.03 -1.26 -4.38 116.55 116.26 1he4 n ASP 104 Ca -0.06 -1.59 -0.25 0.00 0.52 0.00 0.00 54.79 53.41 1he4 n ASP 104 Cb 0.51 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.74 1he4 n ASP 104 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1he4 s LYS 105 N -0.59 1.44 -0.03 -0.67 2.47 -1.26 -0.64 119.74 120.46 1he4 s LYS 105 Ca 0.00 -0.26 0.01 0.00 -1.56 0.00 0.00 55.97 54.16 1he4 s LYS 105 Cb 0.00 -1.41 0.02 0.00 -1.46 0.00 0.00 37.83 34.98 1he4 s LYS 105 CO 0.00 -0.17 -0.03 0.54 0.16 0.00 0.00 175.35 175.85 1he4 s VAL 106 N 1.34 0.39 -0.23 4.02 0.11 0.11 -0.90 120.40 125.25 1he4 s VAL 106 Ca -0.02 -0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1he4 s VAL 106 Cb -0.14 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1he4 s VAL 106 CO -0.04 0.17 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.10 1he4 s VAL 107 N 0.72 2.50 -0.02 2.04 1.01 0.22 -1.06 120.40 125.81 1he4 s VAL 107 Ca -0.09 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.84 1he4 s VAL 107 Cb -0.12 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1he4 s VAL 107 CO -0.00 0.29 -0.07 0.00 0.00 0.00 0.00 175.10 175.32 1he4 s ALA 108 N 1.28 0.66 -0.16 5.51 0.00 -0.65 -0.83 121.76 127.57 1he4 s ALA 108 Ca 0.01 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 1he4 s ALA 108 Cb -0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1he4 s ALA 108 CO -0.07 0.10 0.44 0.00 0.00 0.00 0.00 175.76 176.23 1he4 n THR 110 N 4.03 0.00 -3.52 0.00 -2.24 0.33 -4.82 114.28 108.06 1he4 n THR 110 Ca -0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 1he4 n THR 110 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1he4 n THR 110 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1he4 s SER 111 N 0.95 -0.42 0.39 3.42 0.15 -1.26 -4.51 113.70 112.43 1he4 s SER 111 Ca 0.00 0.18 0.28 0.00 0.70 0.00 0.00 55.95 57.11 1he4 s SER 111 Cb 0.00 0.40 1.37 0.00 -1.71 0.00 0.00 66.02 66.08 1he4 s SER 111 CO 0.00 -0.58 1.84 0.00 1.20 0.00 0.00 173.24 175.70 1he4 h ALA 112 N 2.25 1.00 -0.06 5.45 0.00 -0.68 -1.76 119.26 125.47 1he4 h ALA 112 Ca -0.23 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1he4 h ALA 112 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1he4 h ALA 112 CO 0.32 0.00 0.08 0.74 0.00 0.00 0.00 179.25 180.40 1he4 h PHE 113 N 0.00 0.00 0.00 0.00 0.04 -1.89 0.78 116.94 115.88 1he4 h PHE 113 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1he4 h PHE 113 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1he4 h PHE 113 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1he4 n LEU 114 N -3.62 0.00 -0.06 1.54 4.32 -0.66 -3.47 117.00 115.05 1he4 n LEU 114 Ca -0.01 0.25 -0.07 0.00 -0.02 0.00 0.00 56.01 56.16 1he4 n LEU 114 Cb 0.17 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 41.64 1he4 n LEU 114 CO 0.25 -0.02 -0.91 0.18 -1.22 0.00 0.00 177.39 175.67 1he4 n LEU 115 N -1.25 0.97 -4.82 2.23 4.77 0.14 -5.04 117.00 113.99 1he4 n LEU 115 Ca 0.14 -0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 1he4 n LEU 115 Cb 0.21 0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.43 1he4 n LEU 115 CO 0.21 0.44 0.73 0.26 -1.33 0.00 0.00 177.39 177.70 1he4 s TRP 116 N -2.29 2.77 -0.31 -1.77 0.51 -0.44 -4.88 118.94 112.54 1he4 s TRP 116 Ca -0.10 0.93 -0.38 0.00 -2.12 0.00 0.00 56.10 54.43 1he4 s TRP 116 Cb 0.04 -3.31 -0.14 0.00 -0.81 0.00 0.00 33.47 29.25 1he4 s TRP 116 CO 0.43 -1.97 1.96 -3.47 -0.51 0.00 0.00 176.95 173.39 1he4 n ASP 117 N -3.51 2.24 0.00 2.95 -0.08 -1.26 -4.78 116.55 112.11 1he4 n ASP 117 Ca 0.07 0.78 0.07 0.00 -1.51 0.00 0.00 54.79 54.20 1he4 n ASP 117 Cb 0.59 -1.18 0.42 0.00 2.34 0.00 0.00 41.12 43.28 1he4 n ASP 117 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1he4 n PRO 118 N 6.75 0.67 -0.14 -0.67 -0.04 -1.26 -1.31 135.00 138.99 1he4 n PRO 118 Ca 0.34 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.89 1he4 n PRO 118 Cb 0.17 -1.33 0.16 0.00 -0.04 0.00 0.00 33.50 32.45 1he4 n PRO 118 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1he4 n THR 119 N -0.83 0.54 -1.07 0.52 -2.24 -1.26 -4.46 114.28 105.48 1he4 n THR 119 Ca 0.11 -0.77 0.05 0.00 -2.27 0.00 0.00 64.05 61.17 1he4 n THR 119 Cb 0.05 0.89 0.27 0.00 -2.10 0.00 0.00 70.33 69.44 1he4 n THR 119 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1he4 n LYS 120 N 0.99 2.97 -2.55 -0.78 4.01 -0.43 -5.00 118.16 117.37 1he4 n LYS 120 Ca 0.14 -2.94 -0.42 0.00 -0.51 0.00 0.00 58.31 54.57 1he4 n LYS 120 Cb 0.47 -1.91 -0.03 0.00 -0.51 0.00 0.00 35.03 33.05 1he4 n LYS 120 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1he4 s VAL 121 N -2.91 4.45 0.25 -0.18 1.01 -1.26 -4.98 120.40 116.77 1he4 s VAL 121 Ca 0.45 1.75 -0.31 0.00 0.00 0.00 0.00 61.98 63.87 1he4 s VAL 121 Cb 0.37 -4.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 1he4 s VAL 121 CO 0.08 0.07 1.45 -2.65 0.00 0.00 0.00 175.10 174.05 1he4 n PRO 122 N 4.50 2.16 -0.33 2.72 -0.02 -1.26 -4.84 135.00 137.93 1he4 n PRO 122 Ca 0.09 0.77 0.20 0.00 -2.02 0.00 0.00 63.50 62.53 1he4 n PRO 122 Cb 0.48 -2.45 0.41 0.00 -0.02 0.00 0.00 33.50 31.92 1he4 n PRO 122 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1he4 h PRO 123 N 4.36 0.38 0.00 0.52 0.11 -2.00 0.27 132.00 135.64 1he4 h PRO 123 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1he4 h PRO 123 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1he4 h PRO 123 CO 0.77 0.25 0.00 2.89 -0.21 0.00 0.00 178.00 181.70 1he4 n ARG 124 N -5.02 0.21 -0.17 1.05 1.85 -1.26 -2.06 116.66 111.26 1he4 n ARG 124 Ca 0.28 0.36 0.12 0.00 -1.00 0.00 0.00 57.85 57.61 1he4 n ARG 124 Cb 0.84 -1.85 0.20 0.00 -1.05 0.00 0.00 32.46 30.61 1he4 n ARG 124 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1he4 n LEU 125 N -2.23 3.43 -0.09 2.89 4.77 0.07 -4.57 117.00 121.27 1he4 n LEU 125 Ca 0.03 -1.44 -0.07 0.00 -0.03 0.00 0.00 56.01 54.50 1he4 n LEU 125 Cb 0.29 -0.22 0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1he4 n LEU 125 CO 0.23 0.72 0.73 -0.61 -1.33 0.00 0.00 177.39 177.13 1he4 h GLN 126 N 4.54 0.78 -0.40 3.23 5.75 -1.30 -1.18 115.11 126.53 1he4 h GLN 126 Ca 0.00 -0.30 -0.08 0.00 -0.15 0.00 0.00 58.65 58.12 1he4 h GLN 126 Cb 1.00 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 1he4 h GLN 126 CO 0.00 0.91 -0.06 0.00 -2.65 0.00 0.00 178.83 177.03 1he4 h ALA 127 N 1.09 0.54 -0.48 3.38 0.00 -1.80 0.75 119.26 122.75 1he4 h ALA 127 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1he4 h ALA 127 Cb 0.69 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1he4 h ALA 127 CO 0.05 0.38 0.10 0.28 0.00 0.00 0.00 179.25 180.06 1he4 h VAL 128 N 0.56 1.24 -0.91 0.00 2.07 -1.76 -2.61 116.25 114.85 1he4 h VAL 128 Ca 0.11 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1he4 h VAL 128 Cb 0.56 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1he4 h VAL 128 CO 0.03 0.31 0.60 0.74 0.02 0.00 0.00 177.57 179.27 1he4 h THR 129 N 0.66 1.19 -0.65 2.57 2.02 -0.93 0.33 112.91 118.10 1he4 h THR 129 Ca 0.15 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1he4 h THR 129 Cb 0.36 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1he4 h THR 129 CO 0.01 0.21 0.37 0.44 0.37 0.00 0.00 175.52 176.92 1he4 h ASP 130 N 1.17 0.78 0.65 4.18 3.32 -0.61 0.10 116.42 126.01 1he4 h ASP 130 Ca 0.35 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.17 1he4 h ASP 130 Cb -0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1he4 h ASP 130 CO -0.09 0.62 -0.82 -0.78 -1.72 0.00 0.00 179.24 176.45 1he4 h ASP 131 N 0.89 0.15 -0.91 6.45 3.58 -0.92 -1.48 116.42 124.19 1he4 h ASP 131 Ca 0.23 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.59 1he4 h ASP 131 Cb 0.00 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 1he4 h ASP 131 CO -0.04 0.90 0.60 0.45 -2.88 0.00 0.00 179.24 178.26 1he4 h HIS 132 N 0.07 1.12 -0.51 0.28 3.86 -0.08 0.16 115.15 120.06 1he4 h HIS 132 Ca -0.03 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1he4 h HIS 132 Cb 1.42 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 29.50 1he4 h HIS 132 CO 0.02 0.67 0.19 0.82 0.86 0.00 0.00 177.93 180.49 1he4 h ILE 133 N 1.18 1.22 -0.85 2.45 2.04 -0.78 0.11 117.51 122.88 1he4 h ILE 133 Ca 0.35 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1he4 h ILE 133 Cb -0.06 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1he4 h ILE 133 CO -0.10 0.26 0.47 0.03 0.00 0.00 0.00 178.15 178.81 1he4 h ARG 134 N 0.68 1.18 -0.63 2.37 3.08 -0.81 -1.14 114.38 119.12 1he4 h ARG 134 Ca 0.17 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1he4 h ARG 134 Cb 0.22 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1he4 h ARG 134 CO -0.01 0.87 0.20 1.98 -1.07 0.00 0.00 179.97 181.93 1he4 h MET 135 N 1.18 0.99 -0.81 0.04 4.05 -0.22 -1.49 114.93 118.67 1he4 h MET 135 Ca 0.30 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1he4 h MET 135 Cb 0.03 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 1he4 h MET 135 CO -0.05 0.87 0.52 1.25 0.23 0.00 0.00 176.91 179.73 1he4 h HIS 136 N 0.91 1.04 -0.32 1.39 -0.00 -0.54 -1.42 115.15 116.21 1he4 h HIS 136 Ca 0.20 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 1he4 h HIS 136 Cb 0.30 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 1he4 h HIS 136 CO 0.02 0.67 0.15 -0.22 -0.00 0.00 0.00 177.93 178.55 1he4 h LYS 137 N 1.11 0.46 -0.49 5.26 3.64 -0.82 0.13 116.57 125.86 1he4 h LYS 137 Ca 0.30 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1he4 h LYS 137 Cb -0.10 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 1he4 h LYS 137 CO -0.06 0.43 0.13 0.28 -2.27 0.00 0.00 179.45 177.96 1he4 h VAL 138 N 0.38 0.78 -0.19 2.00 2.07 -0.89 -0.85 116.25 119.55 1he4 h VAL 138 Ca 0.11 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 67.34 1he4 h VAL 138 Cb 0.12 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1he4 h VAL 138 CO -0.01 0.05 -0.67 -0.07 0.02 0.00 0.00 177.57 176.89 1he4 h LEU 139 N 0.29 0.82 -0.89 2.57 3.38 -0.98 -2.62 115.31 117.88 1he4 h LEU 139 Ca 0.24 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1he4 h LEU 139 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1he4 h LEU 139 CO -0.28 1.27 -0.49 0.08 0.09 0.00 0.00 178.44 179.10 1he4 h ARG 140 N 0.52 0.00 -0.01 1.13 0.11 -0.45 -2.84 114.38 112.85 1he4 h ARG 140 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1he4 h ARG 140 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1he4 h ARG 140 CO 0.13 0.49 -0.13 0.39 0.10 0.00 0.00 179.97 180.96 1he4 n GLU 141 N -3.72 0.92 0.25 0.08 1.02 -0.35 -3.92 120.64 114.92 1he4 n GLU 141 Ca -0.01 -0.42 0.13 0.00 -0.02 0.00 0.00 57.16 56.85 1he4 n GLU 141 Cb 0.55 -1.49 0.60 0.00 -0.02 0.00 0.00 31.44 31.08 1he4 n GLU 141 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1he4 h SER 142 N 1.02 0.00 -1.05 1.62 4.64 -1.20 -3.46 113.55 115.11 1he4 h SER 142 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1he4 h SER 142 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1he4 h SER 142 CO 0.00 0.12 -0.20 0.61 -0.87 0.00 0.00 176.83 176.49 1he4 n GLY 143 N -0.05 0.21 3.71 -0.77 0.00 -1.25 -5.02 105.19 102.02 1he4 n GLY 143 Ca -0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 1he4 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1he4 s LEU 144 N -2.31 3.15 -0.35 0.99 1.43 -1.26 -5.06 118.68 115.27 1he4 s LEU 144 Ca 0.00 -0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 51.91 1he4 s LEU 144 Cb 0.00 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1he4 s LEU 144 CO 0.00 -0.35 1.28 -0.54 0.23 0.00 0.00 176.35 176.97 1he4 s LYS 145 N -3.83 3.84 -0.12 1.70 1.02 0.19 -4.92 119.74 117.61 1he4 s LYS 145 Ca 0.38 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.45 1he4 s LYS 145 Cb -0.00 -3.90 0.02 0.00 -0.52 0.00 0.00 37.83 33.43 1he4 s LYS 145 CO 0.22 -1.22 -0.12 -0.47 -0.92 0.00 0.00 175.35 172.84 1he4 s TYR 146 N 4.52 1.84 -0.30 3.18 5.04 -1.26 -0.71 117.35 129.66 1he4 s TYR 146 Ca 0.55 -0.94 -0.11 0.00 -2.44 0.00 0.00 57.07 54.13 1he4 s TYR 146 Cb -0.14 -1.40 -0.03 0.00 0.35 0.00 0.00 41.96 40.74 1he4 s TYR 146 CO 0.25 -0.55 0.19 0.08 -1.34 0.00 0.00 175.55 174.18 1he4 s VAL 147 N 1.40 5.08 -0.33 3.14 1.01 -0.22 -0.78 120.40 129.70 1he4 s VAL 147 Ca 0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 1he4 s VAL 147 Cb -0.13 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 1he4 s VAL 147 CO -0.07 0.15 0.63 0.00 0.00 0.00 0.00 175.10 175.81 1he4 s ALA 148 N 1.71 3.50 -0.27 5.51 0.00 -0.88 -1.64 121.76 129.69 1he4 s ALA 148 Ca 0.06 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 1he4 s ALA 148 Cb -0.17 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1he4 s ALA 148 CO 0.09 -1.19 0.14 0.08 0.00 0.00 0.00 175.76 174.89 1he4 s VAL 149 N 2.66 4.83 -0.63 0.00 1.01 -0.25 -0.74 120.40 127.26 1he4 s VAL 149 Ca 0.25 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1he4 s VAL 149 Cb -0.15 -3.31 0.21 0.00 0.00 0.00 0.00 36.38 33.13 1he4 s VAL 149 CO 0.13 0.26 0.58 0.23 0.00 0.00 0.00 175.10 176.30 1he4 n MET 150 N 5.00 1.89 -2.07 2.72 2.81 0.37 -0.52 117.12 127.32 1he4 n MET 150 Ca -0.15 -4.36 -0.32 0.00 -1.81 0.00 0.00 57.70 51.06 1he4 n MET 150 Cb 0.51 -2.15 -0.00 0.00 -0.71 0.00 0.00 33.22 30.87 1he4 n MET 150 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1he4 s PRO 151 N -1.72 3.62 0.00 0.03 0.04 -1.26 -2.90 135.00 132.82 1he4 s PRO 151 Ca 0.32 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1he4 s PRO 151 Cb 0.06 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1he4 s PRO 151 CO -0.11 -0.55 0.00 -0.35 0.04 0.00 0.00 177.00 176.04 1he4 n PRO 152 N -2.22 1.51 -1.62 0.56 -0.04 -1.26 -0.53 135.00 131.40 1he4 n PRO 152 Ca 0.07 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.05 1he4 n PRO 152 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1he4 n PRO 152 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1he4 n HIS 153 N 0.00 1.78 -3.24 0.54 -0.00 -1.06 -4.68 115.22 108.55 1he4 n HIS 153 Ca 0.00 0.52 -0.41 0.00 -0.00 0.00 0.00 57.72 57.83 1he4 n HIS 153 Cb 0.00 -2.39 -0.08 0.00 -0.00 0.00 0.00 29.99 27.52 1he4 n HIS 153 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1he4 s ILE 154 N 0.22 5.03 0.29 3.57 1.01 -1.26 -1.15 121.20 128.91 1he4 s ILE 154 Ca 0.75 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.91 1he4 s ILE 154 Cb -0.78 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 37.80 1he4 s ILE 154 CO 0.47 -0.14 0.30 0.61 0.00 0.00 0.00 174.94 176.18 1he4 n GLY 155 N 4.71 2.46 0.61 6.18 0.00 0.04 -4.83 105.19 114.36 1he4 n GLY 155 Ca -0.05 -2.21 0.09 0.00 0.00 0.00 0.00 46.02 43.85 1he4 n GLY 155 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1he4 n ASP 156 N -2.26 3.34 -4.69 1.61 5.75 -1.26 -0.57 116.55 118.48 1he4 n ASP 156 Ca 0.03 -2.99 -0.32 0.00 -0.01 0.00 0.00 54.79 51.50 1he4 n ASP 156 Cb 0.31 -0.49 0.15 0.00 -1.03 0.00 0.00 41.12 40.06 1he4 n ASP 156 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1he4 s GLN 157 N -2.75 1.32 0.99 0.11 1.11 -1.26 -4.95 119.66 114.23 1he4 s GLN 157 Ca 0.38 1.65 -0.11 0.00 0.01 0.00 0.00 55.36 57.29 1he4 s GLN 157 Cb 0.31 -1.75 0.19 0.00 -1.01 0.00 0.00 33.01 30.75 1he4 s GLN 157 CO 0.07 -2.43 1.10 -2.14 0.01 0.00 0.00 175.29 171.91 1he4 s PRO 158 N -4.40 0.43 0.23 2.91 0.02 -1.26 -4.57 135.00 128.37 1he4 s PRO 158 Ca 0.70 1.30 -0.31 0.00 0.02 0.00 0.00 61.00 62.71 1he4 s PRO 158 Cb -0.26 -1.68 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 1he4 s PRO 158 CO 0.54 -2.95 1.59 -1.17 -0.33 0.00 0.00 177.00 174.68 1he4 s LEU 159 N -6.78 4.36 0.00 -5.54 2.96 -1.26 -4.67 118.68 107.75 1he4 s LEU 159 Ca 0.67 2.79 0.00 0.00 -0.22 0.00 0.00 54.13 57.37 1he4 s LEU 159 Cb -0.23 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.84 1he4 s LEU 159 CO 0.60 -0.86 0.00 0.35 -1.32 0.00 0.00 176.35 175.12 1he4 n THR 160 N 3.07 0.00 -1.17 3.68 -2.24 -1.26 -5.01 114.28 111.35 1he4 n THR 160 Ca 0.11 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.83 1he4 n THR 160 Cb 0.38 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1he4 n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1he4 n GLY 161 N 2.71 0.74 0.00 3.38 0.00 -1.26 -4.84 105.19 105.91 1he4 n GLY 161 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1he4 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1he4 n ALA 162 N 1.11 1.89 -0.89 4.61 0.00 -1.26 -5.04 120.51 120.94 1he4 n ALA 162 Ca -0.06 -0.97 -0.29 0.00 0.00 0.00 0.00 53.44 52.12 1he4 n ALA 162 Cb 0.36 -0.01 0.20 0.00 0.00 0.00 0.00 19.45 20.00 1he4 n ALA 162 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1he4 s TYR 163 N -0.92 1.80 -0.10 0.00 -0.85 -1.26 -5.02 117.35 111.01 1he4 s TYR 163 Ca 0.01 1.18 -0.02 0.00 -0.52 0.00 0.00 57.07 57.72 1he4 s TYR 163 Cb 0.00 -3.18 -0.03 0.00 0.38 0.00 0.00 41.96 39.13 1he4 s TYR 163 CO 0.00 -3.19 -0.02 0.99 -1.52 0.00 0.00 175.55 171.81 1he4 s THR 164 N -2.73 4.11 -0.20 -3.49 2.01 0.20 -4.94 115.64 110.60 1he4 s THR 164 Ca 0.66 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 1he4 s THR 164 Cb -0.21 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.58 1he4 s THR 164 CO 0.60 0.58 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.27 1he4 s VAL 165 N -0.63 2.38 0.46 3.82 1.01 -1.26 -1.22 120.40 124.95 1he4 s VAL 165 Ca 0.10 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1he4 s VAL 165 Cb -0.12 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1he4 s VAL 165 CO 0.02 0.47 0.23 0.42 0.00 0.00 0.00 175.10 176.25 1he4 s THR 166 N 1.32 2.06 -1.36 3.92 -4.23 -0.61 -4.91 115.64 111.82 1he4 s THR 166 Ca 0.04 -1.65 0.12 0.00 -1.18 0.00 0.00 61.69 59.03 1he4 s THR 166 Cb -0.14 -2.70 0.16 0.00 1.34 0.00 0.00 72.50 71.16 1he4 s THR 166 CO -0.10 0.00 1.00 0.18 -0.54 0.00 0.00 174.62 175.16 1he4 n LEU 167 N -1.40 2.30 0.00 4.79 4.77 -1.26 -0.46 117.00 125.74 1he4 n LEU 167 Ca -0.03 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1he4 n LEU 167 Cb 0.64 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1he4 n LEU 167 CO 0.43 0.49 0.27 -0.90 -1.33 0.00 0.00 177.39 176.34 1he4 n ASP 168 N 0.66 0.69 0.00 -1.43 5.68 -1.26 -4.72 116.55 116.17 1he4 n ASP 168 Ca 0.09 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 1he4 n ASP 168 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1he4 n ASP 168 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1he4 n GLY 169 N -0.14 1.09 3.86 6.12 0.00 -1.26 -4.81 105.19 110.05 1he4 n GLY 169 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1he4 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1he4 s ARG 170 N -0.50 3.35 0.04 1.61 0.52 -1.26 -4.94 118.95 117.77 1he4 s ARG 170 Ca 0.00 -0.26 -0.14 0.00 -0.52 0.00 0.00 55.73 54.82 1he4 s ARG 170 Cb 0.00 -3.09 0.05 0.00 0.52 0.00 0.00 34.95 32.43 1he4 s ARG 170 CO 0.00 0.73 0.64 0.41 0.02 0.00 0.00 175.30 177.09 1he4 n GLY 171 N 1.58 0.66 0.30 -3.53 0.00 -1.26 -4.68 105.19 98.26 1he4 n GLY 171 Ca -0.16 -1.00 0.18 0.00 0.00 0.00 0.00 46.02 45.04 1he4 n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1he4 h PRO 172 N 0.00 0.00 0.00 1.61 0.13 -1.94 -3.46 132.00 128.35 1he4 h PRO 172 Ca -0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.89 1he4 h PRO 172 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1he4 h PRO 172 CO 0.19 0.03 0.14 -1.13 -0.23 0.00 0.00 178.00 176.99 1he4 n SER 173 N -3.43 -1.91 -1.54 1.44 3.41 -1.26 -4.72 113.62 105.61 1he4 n SER 173 Ca -0.02 -2.61 -0.14 0.00 -0.26 0.00 0.00 58.87 55.84 1he4 n SER 173 Cb 0.14 3.27 0.13 0.00 -0.26 0.00 0.00 64.21 67.50 1he4 n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1he4 n ARG 174 N -0.52 2.46 -3.93 4.33 1.74 -1.26 -4.71 116.66 114.76 1he4 n ARG 174 Ca -0.06 -3.51 -0.10 0.00 -0.77 0.00 0.00 57.85 53.41 1he4 n ARG 174 Cb 0.56 -2.00 -0.12 0.00 -1.02 0.00 0.00 32.46 29.88 1he4 n ARG 174 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1he4 s VAL 175 N -3.87 0.07 -0.02 1.55 0.11 -1.26 -2.58 120.40 114.41 1he4 s VAL 175 Ca 0.49 -0.60 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1he4 s VAL 175 Cb 0.42 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 35.06 1he4 s VAL 175 CO 0.00 -0.33 -0.04 -0.51 -3.33 0.00 0.00 175.10 170.89 1he4 s ILE 176 N -1.00 0.44 0.50 7.04 1.10 -0.30 -1.97 121.20 127.01 1he4 s ILE 176 Ca -0.11 -0.14 -0.22 0.00 -0.51 0.00 0.00 60.65 59.67 1he4 s ILE 176 Cb -0.07 -0.43 -0.06 0.00 0.15 0.00 0.00 42.46 42.05 1he4 s ILE 176 CO -0.00 0.17 1.19 -0.55 -2.11 0.00 0.00 174.94 173.63 1he4 s SER 177 N 0.44 5.87 0.33 4.50 0.15 -1.26 -0.78 113.70 122.95 1he4 s SER 177 Ca -0.05 2.35 0.07 0.00 0.70 0.00 0.00 55.95 59.02 1he4 s SER 177 Cb -0.09 -2.60 0.74 0.00 -1.71 0.00 0.00 66.02 62.36 1he4 s SER 177 CO -0.00 -1.12 1.85 0.07 1.20 0.00 0.00 173.24 175.24 1he4 h LYS 178 N 1.70 0.76 -0.38 5.44 2.10 -1.10 0.19 116.57 125.29 1he4 h LYS 178 Ca -0.50 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.00 1he4 h LYS 178 Cb 1.26 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1he4 h LYS 178 CO 0.59 0.50 -0.16 0.45 -2.00 0.00 0.00 179.45 178.82 1he4 h HIS 179 N 0.78 0.90 -0.39 0.07 3.86 -1.82 -1.43 115.15 117.11 1he4 h HIS 179 Ca 0.47 -0.22 -0.09 0.00 -1.16 0.00 0.00 60.37 59.37 1he4 h HIS 179 Cb 0.67 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1he4 h HIS 179 CO -0.00 0.96 -0.13 -0.44 0.86 0.00 0.00 177.93 179.17 1he4 h ASP 180 N 0.58 0.69 -0.51 2.45 3.32 -1.59 -0.87 116.42 120.50 1he4 h ASP 180 Ca 0.09 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1he4 h ASP 180 Cb 0.71 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1he4 h ASP 180 CO 0.05 0.85 0.31 0.25 -1.72 0.00 0.00 179.24 178.97 1he4 h LEU 181 N 0.64 0.62 -0.56 1.55 5.85 -0.49 -0.32 115.31 122.60 1he4 h LEU 181 Ca 0.11 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1he4 h LEU 181 Cb 0.59 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1he4 h LEU 181 CO 0.04 0.50 0.27 1.23 -0.34 0.00 0.00 178.44 180.13 1he4 h GLY 182 N 0.68 0.87 0.97 3.75 0.00 -1.04 -0.93 103.07 107.37 1he4 h GLY 182 Ca 0.18 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.12 1he4 h GLY 182 CO -0.03 0.41 0.59 0.84 0.00 0.00 0.00 176.54 178.35 1he4 h HIS 183 N 0.76 1.08 -0.35 5.60 -0.00 -0.85 -1.25 115.15 120.14 1he4 h HIS 183 Ca 0.19 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.42 1he4 h HIS 183 Cb 0.13 -0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.17 1he4 h HIS 183 CO -0.00 0.61 -0.43 0.35 -0.00 0.00 0.00 177.93 178.46 1he4 h PHE 184 N 1.10 1.11 -0.77 5.26 3.57 -0.52 -0.39 116.94 126.31 1he4 h PHE 184 Ca 0.36 -0.35 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1he4 h PHE 184 Cb 0.05 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1he4 h PHE 184 CO -0.00 1.18 0.51 0.52 -2.23 0.00 0.00 178.31 178.29 1he4 h MET 185 N 0.72 0.96 -0.21 1.11 2.86 -0.55 -0.81 114.93 119.01 1he4 h MET 185 Ca 0.05 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1he4 h MET 185 Cb 1.03 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1he4 h MET 185 CO 0.10 0.63 -0.43 -0.07 1.06 0.00 0.00 176.91 178.20 1he4 h LEU 186 N 0.99 0.55 -1.31 1.22 3.38 -0.96 -2.84 115.31 116.35 1he4 h LEU 186 Ca 0.30 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1he4 h LEU 186 Cb -0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1he4 h LEU 186 CO -0.08 0.91 0.51 -0.09 0.09 0.00 0.00 178.44 179.79 1he4 h ARG 187 N 0.42 0.82 0.00 1.13 9.65 0.28 -0.81 114.38 125.86 1he4 h ARG 187 Ca 0.03 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1he4 h ARG 187 Cb 0.93 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1he4 h ARG 187 CO 0.08 0.54 0.00 0.00 2.80 0.00 0.00 179.97 183.39 1he4 n LEU 189 N -2.09 0.63 -0.05 0.00 4.77 -0.31 -3.80 117.00 116.16 1he4 n LEU 189 Ca 0.01 0.59 0.05 0.00 -0.03 0.00 0.00 56.01 56.64 1he4 n LEU 189 Cb 0.16 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 40.89 1he4 n LEU 189 CO 0.15 -0.30 0.53 0.35 -1.33 0.00 0.00 177.39 176.79 1he4 n THR 190 N -2.13 1.44 -3.96 -5.08 -2.24 -0.43 -4.52 114.28 97.36 1he4 n THR 190 Ca 0.04 -1.65 -0.09 0.00 -2.27 0.00 0.00 64.05 60.09 1he4 n THR 190 Cb 0.34 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1he4 n THR 190 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1he4 s THR 191 N -1.97 0.14 -2.65 4.28 -1.32 -1.23 -5.02 115.64 107.87 1he4 s THR 191 Ca 0.17 -1.18 0.24 0.00 -1.21 0.00 0.00 61.69 59.71 1he4 s THR 191 Cb 0.15 -0.89 0.35 0.00 -1.51 0.00 0.00 72.50 70.61 1he4 s THR 191 CO 0.02 -0.65 1.36 0.47 -2.21 0.00 0.00 174.62 173.61 1he4 n ASP 192 N 0.81 3.31 0.25 8.08 8.00 -1.26 -4.66 116.55 131.07 1he4 n ASP 192 Ca -0.19 -1.99 0.17 0.00 0.71 0.00 0.00 54.79 53.48 1he4 n ASP 192 Cb 0.58 -0.17 0.73 0.00 -0.02 0.00 0.00 41.12 42.25 1he4 n ASP 192 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1he4 h GLU 193 N 4.55 0.00 -0.02 -1.24 4.11 -1.95 -1.38 114.58 118.65 1he4 h GLU 193 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1he4 h GLU 193 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1he4 h GLU 193 CO 0.00 0.00 -0.05 0.66 0.07 0.00 0.00 179.01 179.69 1he4 n TYR 194 N -2.82 0.00 -1.75 2.06 4.01 -1.26 -4.94 117.16 112.46 1he4 n TYR 194 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1he4 n TYR 194 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1he4 n TYR 194 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1he4 s ASP 195 N -1.63 6.39 0.00 7.72 1.01 -0.52 -1.27 116.67 128.38 1he4 s ASP 195 Ca 0.21 2.86 0.00 0.00 0.71 0.00 0.00 52.55 56.33 1he4 s ASP 195 Cb 0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1he4 s ASP 195 CO 0.26 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.30 1he4 n GLY 196 N 3.71 0.79 3.64 0.21 0.00 0.04 -4.93 105.19 108.63 1he4 n GLY 196 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1he4 n GLY 196 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1he4 s HIS 197 N -2.99 2.56 -0.11 1.61 3.76 -0.39 -5.02 115.29 114.71 1he4 s HIS 197 Ca 0.00 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 1he4 s HIS 197 Cb 0.00 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 1he4 s HIS 197 CO 0.00 0.48 0.07 -1.12 -0.85 0.00 0.00 174.74 173.32 1he4 s SER 198 N -3.72 5.79 0.05 1.40 0.01 -1.26 -2.08 113.70 113.89 1he4 s SER 198 Ca 0.35 0.28 0.06 0.00 1.31 0.00 0.00 55.95 57.95 1he4 s SER 198 Cb -0.01 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 1he4 s SER 198 CO 0.19 0.37 -0.16 0.42 0.41 0.00 0.00 173.24 174.48 1he4 s THR 199 N -0.83 1.29 -0.38 1.44 -4.23 0.08 -4.43 115.64 108.58 1he4 s THR 199 Ca 0.13 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1he4 s THR 199 Cb -0.12 -1.16 0.12 0.00 1.34 0.00 0.00 72.50 72.68 1he4 s THR 199 CO 0.03 0.01 0.17 -0.47 -0.54 0.00 0.00 174.62 173.81 1he4 s TYR 200 N -0.93 1.96 0.01 3.99 5.04 0.39 -0.48 117.35 127.33 1he4 s TYR 200 Ca 0.03 -2.17 -0.23 0.00 -2.44 0.00 0.00 57.07 52.26 1he4 s TYR 200 Cb -0.09 -1.87 -0.05 0.00 0.35 0.00 0.00 41.96 40.31 1he4 s TYR 200 CO 0.02 -0.83 0.70 -1.25 -1.34 0.00 0.00 175.55 172.85 1he4 s PRO 201 N 0.92 4.43 0.18 4.97 0.04 -1.26 -1.58 135.00 142.70 1he4 s PRO 201 Ca 0.14 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 61.92 1he4 s PRO 201 Cb -0.21 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 30.99 1he4 s PRO 201 CO -0.10 0.25 0.54 -1.54 0.04 0.00 0.00 177.00 176.19 1he4 s SER 202 N 0.11 -0.34 -0.09 6.66 1.04 -0.36 -4.42 113.70 116.30 1he4 s SER 202 Ca 0.36 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 1he4 s SER 202 Cb -0.19 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.57 1he4 s SER 202 CO 0.20 -1.01 0.66 -2.28 0.98 0.00 0.00 173.24 171.79 1he4 s HIS 203 N -3.83 -0.65 -0.37 5.02 2.46 -0.83 -0.62 115.29 116.47 1he4 s HIS 203 Ca 0.06 1.22 -0.19 0.00 0.47 0.00 0.00 55.06 56.61 1he4 s HIS 203 Cb -0.01 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 1he4 s HIS 203 CO -0.07 -0.55 0.57 -0.65 -2.47 0.00 0.00 174.74 171.57 1he4 s GLN 204 N -0.90 3.58 0.00 2.88 -0.21 -1.26 -4.57 119.66 119.17 1he4 s GLN 204 Ca -0.09 -0.13 0.30 0.00 0.02 0.00 0.00 55.36 55.45 1he4 s GLN 204 Cb -0.01 -3.83 1.42 0.00 1.00 0.00 0.00 33.01 31.59 1he4 s GLN 204 CO 0.08 -0.73 1.95 0.66 -2.12 0.00 0.00 175.29 175.14