#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1s s LYS 2 N 0.00 1.57 0.30 3.17 1.02 -1.26 -4.66 119.74 119.88 3h1s s LYS 2 Ca 0.00 -1.09 -0.24 0.00 0.02 0.00 0.00 55.97 54.66 3h1s s LYS 2 Cb 0.00 -1.77 -0.09 0.00 -0.52 0.00 0.00 37.83 35.44 3h1s s LYS 2 CO 0.00 0.45 0.88 -0.06 -0.92 0.00 0.00 175.35 175.69 3h1s s PHE 3 N -0.86 3.65 0.26 3.18 0.08 -1.26 -5.08 117.98 117.94 3h1s s PHE 3 Ca 0.10 1.64 0.11 0.00 0.12 0.00 0.00 56.93 58.91 3h1s s PHE 3 Cb -0.10 -2.82 -0.05 0.00 -0.57 0.00 0.00 43.02 39.49 3h1s s PHE 3 CO 0.03 0.22 -0.19 -2.00 -0.10 0.00 0.00 175.22 173.18 3h1s s GLU 4 N -2.13 1.59 -0.02 0.44 2.12 -1.26 -4.94 118.70 114.51 3h1s s GLU 4 Ca 0.49 -1.71 -0.30 0.00 0.36 0.00 0.00 54.97 53.81 3h1s s GLU 4 Cb -0.17 -1.64 -0.05 0.00 0.26 0.00 0.00 34.13 32.52 3h1s s GLU 4 CO 0.22 0.31 1.39 -1.17 -0.54 0.00 0.00 175.26 175.46 3h1s s LEU 5 N -3.40 4.30 0.58 2.70 2.96 -1.26 -4.99 118.68 119.57 3h1s s LEU 5 Ca 0.28 2.06 -0.18 0.00 -0.22 0.00 0.00 54.13 56.06 3h1s s LEU 5 Cb -0.04 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3h1s s LEU 5 CO 0.13 -0.72 1.12 -2.16 -1.32 0.00 0.00 176.35 173.40 3h1s s PRO 6 N 2.57 3.21 0.36 0.98 0.04 -1.26 -4.94 135.00 135.96 3h1s s PRO 6 Ca 0.63 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.93 3h1s s PRO 6 Cb -0.30 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 3h1s s PRO 6 CO 0.25 -0.95 1.31 0.15 0.04 0.00 0.00 177.00 177.80 3h1s s LYS 7 N -3.53 4.22 0.38 4.56 1.02 -1.26 -4.94 119.74 120.19 3h1s s LYS 7 Ca 0.71 2.20 -0.27 0.00 0.02 0.00 0.00 55.97 58.63 3h1s s LYS 7 Cb -0.23 -2.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.03 3h1s s LYS 7 CO 0.31 -0.30 1.34 -1.17 -0.92 0.00 0.00 175.35 174.61 3h1s s LEU 8 N -2.02 4.28 0.00 3.17 2.96 -1.26 -4.88 118.68 120.93 3h1s s LEU 8 Ca 0.52 2.74 0.19 0.00 -0.22 0.00 0.00 54.13 57.36 3h1s s LEU 8 Cb -0.39 -3.80 1.16 0.00 0.50 0.00 0.00 46.19 43.66 3h1s s LEU 8 CO 0.52 -0.79 1.67 -2.65 -1.32 0.00 0.00 176.35 173.78 3h1s n PRO 9 N 0.34 0.89 -3.93 0.98 -0.02 -1.26 -4.84 135.00 127.16 3h1s n PRO 9 Ca 0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.41 3h1s n PRO 9 Cb 0.42 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.54 3h1s n PRO 9 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3h1s s TYR 10 N -2.00 0.22 0.75 6.00 -0.85 -1.26 -5.07 117.35 115.14 3h1s s TYR 10 Ca 0.29 -0.66 -0.14 0.00 -0.52 0.00 0.00 57.07 56.04 3h1s s TYR 10 Cb 0.13 0.46 0.05 0.00 0.38 0.00 0.00 41.96 42.98 3h1s s TYR 10 CO 0.22 -1.21 1.17 0.00 -1.52 0.00 0.00 175.55 174.21 3h1s s ALA 11 N -3.52 2.09 0.41 9.51 0.00 -1.26 -4.91 121.76 124.07 3h1s s ALA 11 Ca 0.18 0.72 0.40 0.00 0.00 0.00 0.00 51.96 53.26 3h1s s ALA 11 Cb -0.03 -3.42 1.98 0.00 0.00 0.00 0.00 23.12 21.64 3h1s s ALA 11 CO 0.10 -1.91 2.20 -0.39 0.00 0.00 0.00 175.76 175.76 3h1s h VAL 12 N -0.57 0.00 -0.33 0.00 -1.51 -1.98 -1.94 116.25 109.92 3h1s h VAL 12 Ca -0.46 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3h1s h VAL 12 Cb 1.28 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3h1s h VAL 12 CO 0.49 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.93 3h1s n ASP 13 N -3.05 2.87 0.25 4.19 5.68 -1.26 -4.09 116.55 121.14 3h1s n ASP 13 Ca -0.01 -1.98 0.10 0.00 -0.50 0.00 0.00 54.79 52.39 3h1s n ASP 13 Cb 0.16 -0.22 0.64 0.00 -1.14 0.00 0.00 41.12 40.57 3h1s n ASP 13 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h1s h ALA 14 N 1.96 1.35 -0.33 2.12 0.00 -1.70 -2.93 119.26 119.73 3h1s h ALA 14 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h1s h ALA 14 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3h1s h ALA 14 CO 0.00 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.73 3h1s n LEU 15 N -3.78 3.06 -4.77 0.00 4.77 -1.26 -4.54 117.00 110.48 3h1s n LEU 15 Ca -0.02 -1.30 -0.39 0.00 -0.03 0.00 0.00 56.01 54.27 3h1s n LEU 15 Cb 0.26 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3h1s n LEU 15 CO 0.32 0.65 0.88 -1.61 -1.33 0.00 0.00 177.39 176.30 3h1s s GLU 16 N -1.58 4.19 0.00 3.23 2.02 -1.07 -1.01 118.70 124.48 3h1s s GLU 16 Ca 0.37 1.96 0.26 0.00 0.02 0.00 0.00 54.97 57.58 3h1s s GLU 16 Cb 0.22 -2.84 0.70 0.00 0.10 0.00 0.00 34.13 32.30 3h1s s GLU 16 CO 0.30 -0.24 1.53 0.45 0.02 0.00 0.00 175.26 177.33 3h1s n SER 17 N 0.40 1.03 -0.05 -0.19 2.88 -1.26 -4.87 113.62 111.56 3h1s n SER 17 Ca 0.02 -0.87 -0.12 0.00 -1.33 0.00 0.00 58.87 56.57 3h1s n SER 17 Cb 0.45 0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 3h1s n SER 17 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3h1s h THR 18 N 1.16 1.26 -3.42 2.46 2.02 -1.44 -3.42 112.91 111.54 3h1s h THR 18 Ca 0.00 -0.87 -0.47 0.00 0.77 0.00 0.00 66.41 65.83 3h1s h THR 18 Cb 0.52 1.57 -0.34 0.00 -1.74 0.00 0.00 68.15 68.15 3h1s h THR 18 CO 0.00 0.26 -0.80 -0.63 0.37 0.00 0.00 175.52 174.72 3h1s s ILE 19 N -4.90 0.88 0.48 3.11 1.01 -0.39 -4.96 121.20 116.42 3h1s s ILE 19 Ca -0.14 -0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 3h1s s ILE 19 Cb 0.05 -0.84 -0.09 0.00 0.01 0.00 0.00 42.46 41.59 3h1s s ILE 19 CO 0.72 0.30 0.97 -0.94 0.00 0.00 0.00 174.94 175.99 3h1s s SER 20 N 0.85 6.72 0.26 3.58 1.04 -1.26 -2.59 113.70 122.31 3h1s s SER 20 Ca -0.12 1.63 -0.05 0.00 0.48 0.00 0.00 55.95 57.90 3h1s s SER 20 Cb -0.15 -2.52 0.52 0.00 0.10 0.00 0.00 66.02 63.97 3h1s s SER 20 CO 0.01 -0.52 1.62 0.50 0.98 0.00 0.00 173.24 175.84 3h1s h LYS 21 N 1.32 0.08 -0.65 4.02 3.64 -1.91 -1.19 116.57 121.88 3h1s h LYS 21 Ca -0.48 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3h1s h LYS 21 Cb 1.18 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 3h1s h LYS 21 CO 0.61 0.06 0.39 1.49 -2.27 0.00 0.00 179.45 179.73 3h1s h GLU 22 N 0.09 0.89 -0.33 1.90 4.81 -1.92 -0.31 114.58 119.71 3h1s h GLU 22 Ca 0.47 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3h1s h GLU 22 Cb 0.86 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3h1s h GLU 22 CO -0.74 0.64 0.22 1.15 -0.73 0.00 0.00 179.01 179.55 3h1s h THR 23 N 0.89 1.08 -0.44 0.32 2.02 -1.62 -1.39 112.91 113.76 3h1s h THR 23 Ca 0.23 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3h1s h THR 23 Cb -0.02 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3h1s h THR 23 CO -0.04 0.08 0.23 0.40 0.37 0.00 0.00 175.52 176.56 3h1s h ILE 24 N 0.45 0.99 -0.61 3.11 1.08 -0.98 0.73 117.51 122.28 3h1s h ILE 24 Ca 0.12 -0.16 0.13 0.00 -0.39 0.00 0.00 64.86 64.56 3h1s h ILE 24 Cb -0.05 0.48 -0.11 0.00 -3.07 0.00 0.00 36.82 34.07 3h1s h ILE 24 CO -0.03 0.09 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.41 3h1s h GLU 25 N 0.47 0.09 0.00 2.37 4.81 -0.52 -0.39 114.58 121.41 3h1s h GLU 25 Ca 0.19 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3h1s h GLU 25 Cb 0.07 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3h1s h GLU 25 CO -0.12 0.06 -0.03 1.88 -0.73 0.00 0.00 179.01 180.07 3h1s h TYR 26 N 0.09 0.00 0.44 0.92 0.05 -0.62 -2.30 116.97 115.56 3h1s h TYR 26 Ca 0.31 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.07 3h1s h TYR 26 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 3h1s h TYR 26 CO -0.39 0.84 -0.21 1.25 -1.05 0.00 0.00 178.16 178.60 3h1s h HIS 27 N -1.00 -0.55 0.09 4.88 2.76 0.53 -0.22 115.15 121.63 3h1s h HIS 27 Ca -0.01 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3h1s h HIS 27 Cb 0.84 0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.98 3h1s h HIS 27 CO 0.23 -0.31 -0.04 -0.92 -1.30 0.00 0.00 177.93 175.58 3h1s h TYR 28 N -0.66 -0.11 0.00 5.26 3.20 -1.24 -1.20 116.97 122.22 3h1s h TYR 28 Ca -0.06 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 3h1s h TYR 28 Cb 0.49 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3h1s h TYR 28 CO -0.03 0.42 -0.18 0.78 -1.64 0.00 0.00 178.16 177.51 3h1s h GLY 29 N -0.82 0.00 0.00 1.82 0.00 -1.20 -2.91 103.07 99.95 3h1s h GLY 29 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3h1s h GLY 29 CO 0.02 0.00 -0.75 0.28 0.00 0.00 0.00 176.54 176.09 3h1s n LYS 30 N -3.19 0.14 0.04 4.80 5.02 -0.22 -4.46 118.16 120.29 3h1s n LYS 30 Ca 0.02 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 3h1s n LYS 30 Cb 0.53 -0.75 -0.09 0.00 -0.02 0.00 0.00 35.03 34.71 3h1s n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3h1s h HIS 31 N -0.26 -0.10 -0.52 2.13 3.86 -1.14 0.73 115.15 119.86 3h1s h HIS 31 Ca -0.08 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.03 3h1s h HIS 31 Cb 0.64 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 3h1s h HIS 31 CO -0.07 0.27 -0.08 1.25 0.86 0.00 0.00 177.93 180.16 3h1s h HIS 32 N -0.48 1.08 -0.76 2.45 -0.00 -1.25 -2.29 115.15 113.90 3h1s h HIS 32 Ca -0.01 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 3h1s h HIS 32 Cb 0.41 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 3h1s h HIS 32 CO 0.05 1.01 0.49 0.37 -0.00 0.00 0.00 177.93 179.85 3h1s h GLN 33 N 0.84 1.01 -0.84 5.26 5.75 -1.47 -2.43 115.11 123.22 3h1s h GLN 33 Ca 0.14 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3h1s h GLN 33 Cb 0.63 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 3h1s h GLN 33 CO 0.04 0.68 0.56 1.15 -2.65 0.00 0.00 178.83 178.61 3h1s h THR 34 N 1.03 1.20 -0.50 2.39 2.02 -0.59 -0.15 112.91 118.32 3h1s h THR 34 Ca 0.28 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3h1s h THR 34 Cb -0.09 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 3h1s h THR 34 CO -0.06 0.21 0.27 1.88 0.37 0.00 0.00 175.52 178.19 3h1s h TYR 35 N 1.13 0.68 -0.00 3.16 0.05 -1.08 0.14 116.97 121.05 3h1s h TYR 35 Ca 0.31 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.08 3h1s h TYR 35 Cb -0.11 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.41 3h1s h TYR 35 CO -0.01 0.51 -0.01 0.28 -1.05 0.00 0.00 178.16 177.87 3h1s h VAL 36 N 0.66 0.97 -0.38 -2.88 2.07 -0.96 0.63 116.25 116.36 3h1s h VAL 36 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3h1s h VAL 36 Cb 0.06 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3h1s h VAL 36 CO -0.03 0.00 0.25 0.74 0.02 0.00 0.00 177.57 178.55 3h1s h THR 37 N -0.02 1.10 -0.61 2.57 2.02 -0.80 -1.44 112.91 115.72 3h1s h THR 37 Ca 0.01 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3h1s h THR 37 Cb 0.03 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3h1s h THR 37 CO -0.01 0.10 0.30 0.78 0.37 0.00 0.00 175.52 177.05 3h1s h ASN 38 N 0.51 0.80 -0.05 4.18 2.35 -0.66 -1.25 115.58 121.45 3h1s h ASN 38 Ca 0.14 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3h1s h ASN 38 Cb -0.05 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 3h1s h ASN 38 CO -0.03 0.70 -0.11 0.25 -1.65 0.00 0.00 177.43 176.59 3h1s h LEU 39 N 0.84 -0.32 -0.53 1.61 5.85 -0.40 0.07 115.31 122.43 3h1s h LEU 39 Ca 0.21 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.03 3h1s h LEU 39 Cb 0.11 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3h1s h LEU 39 CO -0.03 -0.15 0.29 0.78 -0.34 0.00 0.00 178.44 178.99 3h1s h ASN 40 N -0.16 0.43 -0.82 1.25 2.35 -1.06 -0.35 115.58 117.22 3h1s h ASN 40 Ca 0.06 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3h1s h ASN 40 Cb 0.24 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 3h1s h ASN 40 CO -0.14 0.29 0.54 0.78 -1.65 0.00 0.00 177.43 177.25 3h1s h ASN 41 N 0.56 0.93 0.59 5.81 2.35 -0.93 -2.06 115.58 122.83 3h1s h ASN 41 Ca 0.23 -0.02 -0.26 0.00 -0.55 0.00 0.00 56.30 55.70 3h1s h ASN 41 Cb 0.11 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.25 3h1s h ASN 41 CO -0.14 0.67 -1.17 -0.07 -1.65 0.00 0.00 177.43 175.06 3h1s h LEU 42 N 1.10 0.42 -0.72 1.61 3.38 -0.49 -3.27 115.31 117.35 3h1s h LEU 42 Ca 0.31 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3h1s h LEU 42 Cb -0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3h1s h LEU 42 CO -0.07 1.31 -0.62 0.58 0.09 0.00 0.00 178.44 179.72 3h1s h VAL 43 N 0.10 1.42 -1.96 1.22 2.07 -1.01 -3.45 116.25 114.64 3h1s h VAL 43 Ca -0.12 -2.16 -0.64 0.00 0.82 0.00 0.00 66.70 64.60 3h1s h VAL 43 Cb 1.88 2.18 0.03 0.00 -1.52 0.00 0.00 31.29 33.86 3h1s h VAL 43 CO 0.19 0.61 0.88 1.21 0.02 0.00 0.00 177.57 180.49 3h1s n GLU 44 N -3.75 1.83 -0.48 1.57 2.13 -0.78 -0.51 120.64 120.65 3h1s n GLU 44 Ca -0.01 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3h1s n GLU 44 Cb 0.63 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.91 3h1s n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1s n GLY 45 N 3.81 1.44 3.99 8.31 0.00 -1.26 -5.02 105.19 116.46 3h1s n GLY 45 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3h1s n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1s s THR 46 N -3.25 2.34 0.38 2.61 -4.23 0.33 -4.99 115.64 108.82 3h1s s THR 46 Ca 0.00 -0.66 0.33 0.00 -1.18 0.00 0.00 61.69 60.17 3h1s s THR 46 Cb 0.00 -2.68 0.35 0.00 1.34 0.00 0.00 72.50 71.51 3h1s s THR 46 CO 0.00 0.00 2.11 -0.33 -0.54 0.00 0.00 174.62 175.86 3h1s h GLU 47 N -0.23 0.00 0.00 3.99 3.07 -1.96 -1.88 114.58 117.57 3h1s h GLU 47 Ca -0.38 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.48 3h1s h GLU 47 Cb 1.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3h1s h GLU 47 CO 0.45 0.07 -0.02 0.45 -1.40 0.00 0.00 179.01 178.55 3h1s h HIS 48 N 0.00 0.00 -2.38 4.33 3.86 -1.95 -3.43 115.15 115.59 3h1s h HIS 48 Ca -0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 3h1s h HIS 48 Cb 0.33 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 3h1s h HIS 48 CO 0.00 0.02 1.29 0.34 0.86 0.00 0.00 177.93 180.44 3h1s s ASP 49 N -6.00 6.09 0.00 2.45 -1.08 -0.71 -1.37 116.67 116.05 3h1s s ASP 49 Ca 0.04 2.06 0.00 0.00 -0.52 0.00 0.00 52.55 54.13 3h1s s ASP 49 Cb 0.07 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 3h1s s ASP 49 CO 0.62 -1.43 0.00 0.61 0.52 0.00 0.00 175.17 175.49 3h1s n GLY 50 N 4.99 2.20 3.81 2.66 0.00 -1.26 -4.95 105.19 112.64 3h1s n GLY 50 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3h1s n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1s s ARG 51 N -0.65 4.11 0.57 1.61 0.52 -0.47 -4.82 118.95 119.82 3h1s s ARG 51 Ca 0.00 1.21 -0.19 0.00 -0.52 0.00 0.00 55.73 56.23 3h1s s ARG 51 Cb 0.00 -2.18 -0.05 0.00 0.52 0.00 0.00 34.95 33.25 3h1s s ARG 51 CO 0.00 -0.15 1.18 0.54 0.02 0.00 0.00 175.30 176.89 3h1s s ASN 52 N -2.09 5.40 0.27 0.23 2.20 -1.26 -4.86 114.94 114.83 3h1s s ASN 52 Ca 0.63 2.31 -0.00 0.00 -0.94 0.00 0.00 52.86 54.86 3h1s s ASN 52 Cb -0.12 -2.59 0.53 0.00 -2.00 0.00 0.00 41.25 37.07 3h1s s ASN 52 CO 0.16 -1.44 1.79 0.25 -2.94 0.00 0.00 177.10 174.91 3h1s h LEU 53 N 1.02 0.68 -0.78 3.54 5.85 -1.97 -1.98 115.31 121.66 3h1s h LEU 53 Ca -0.50 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 3h1s h LEU 53 Cb 1.28 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 3h1s h LEU 53 CO 0.56 0.32 0.07 -0.33 -0.34 0.00 0.00 178.44 178.72 3h1s h GLU 54 N 0.76 0.99 -0.31 1.25 5.08 -1.97 -0.59 114.58 119.79 3h1s h GLU 54 Ca 0.47 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3h1s h GLU 54 Cb 0.59 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3h1s h GLU 54 CO -0.32 0.93 0.15 1.49 -1.00 0.00 0.00 179.01 180.26 3h1s h GLU 55 N 0.93 0.44 -0.31 2.33 4.81 -1.81 -1.78 114.58 119.20 3h1s h GLU 55 Ca 0.18 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 3h1s h GLU 55 Cb 0.44 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 3h1s h GLU 55 CO 0.02 0.42 -0.13 0.82 -0.73 0.00 0.00 179.01 179.41 3h1s h ILE 56 N 0.36 0.59 -0.71 2.32 2.04 -0.99 -0.49 117.51 120.63 3h1s h ILE 56 Ca 0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 3h1s h ILE 56 Cb 0.12 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 3h1s h ILE 56 CO -0.01 0.00 0.25 0.58 0.00 0.00 0.00 178.15 178.97 3h1s h VAL 57 N -0.07 0.66 0.00 1.67 2.07 -0.96 -0.48 116.25 119.15 3h1s h VAL 57 Ca 0.16 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3h1s h VAL 57 Cb 0.31 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3h1s h VAL 57 CO -0.35 0.07 -0.21 0.11 0.02 0.00 0.00 177.57 177.21 3h1s h LYS 58 N 0.40 0.00 0.00 1.57 1.57 -0.73 -3.36 116.57 116.02 3h1s h LYS 58 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3h1s h LYS 58 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3h1s h LYS 58 CO -0.39 0.21 0.00 0.25 -0.57 0.00 0.00 179.45 178.95 3h1s n THR 59 N -3.35 0.00 -2.89 -0.16 -2.24 -0.24 -4.92 114.28 100.48 3h1s n THR 59 Ca 0.00 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 3h1s n THR 59 Cb 0.44 1.23 0.04 0.00 -2.10 0.00 0.00 70.33 69.93 3h1s n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h1s s SER 60 N -0.17 5.29 0.29 3.42 1.04 -0.23 -5.05 113.70 118.30 3h1s s SER 60 Ca 0.00 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.02 3h1s s SER 60 Cb 0.00 -0.39 -0.01 0.00 0.10 0.00 0.00 66.02 65.72 3h1s s SER 60 CO 0.00 -1.11 0.34 -0.46 0.98 0.00 0.00 173.24 172.99 3h1s n ASN 61 N -2.17 -0.92 0.00 7.02 0.23 -1.26 -4.72 115.26 113.44 3h1s n ASN 61 Ca 0.11 -2.73 0.00 0.00 -0.53 0.00 0.00 54.58 51.42 3h1s n ASN 61 Cb 0.60 1.85 0.00 0.00 -2.08 0.00 0.00 39.78 40.15 3h1s n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h1s n GLY 62 N -0.52 2.61 0.23 4.83 0.00 -1.26 -1.80 105.19 109.29 3h1s n GLY 62 Ca 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 3h1s n GLY 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h1s h GLY 63 N 0.00 0.51 1.00 -0.02 0.00 -2.00 -1.95 103.07 100.61 3h1s h GLY 63 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3h1s h GLY 63 CO 0.00 0.38 -0.03 -2.22 0.00 0.00 0.00 176.54 174.68 3h1s h ILE 64 N 0.41 0.95 0.06 2.60 2.04 -1.93 -1.99 117.51 119.65 3h1s h ILE 64 Ca 0.06 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3h1s h ILE 64 Cb 0.68 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3h1s h ILE 64 CO 0.05 0.00 -0.18 0.15 0.00 0.00 0.00 178.15 178.17 3h1s h PHE 65 N -0.07 -0.48 -0.54 1.37 3.57 -1.07 0.18 116.94 119.89 3h1s h PHE 65 Ca -0.01 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 3h1s h PHE 65 Cb 0.06 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 3h1s h PHE 65 CO -0.08 -0.27 0.18 -0.91 -2.23 0.00 0.00 178.31 175.01 3h1s h ASN 66 N -0.33 0.17 -0.15 0.41 2.35 -1.22 0.71 115.58 117.51 3h1s h ASN 66 Ca 0.04 0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 3h1s h ASN 66 Cb 0.37 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3h1s h ASN 66 CO -0.13 0.11 -0.43 0.78 -1.65 0.00 0.00 177.43 176.11 3h1s h ASN 67 N 0.35 0.64 -0.04 5.81 4.21 -1.19 -2.49 115.58 122.88 3h1s h ASN 67 Ca 0.27 -0.59 0.01 0.00 1.21 0.00 0.00 56.30 57.20 3h1s h ASN 67 Cb 0.32 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 3h1s h ASN 67 CO -0.28 1.12 -0.02 0.00 -1.29 0.00 0.00 177.43 176.95 3h1s h ALA 68 N 0.54 0.01 -0.49 -0.83 0.00 -0.26 -0.50 119.26 117.73 3h1s h ALA 68 Ca -0.01 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3h1s h ALA 68 Cb 1.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3h1s h ALA 68 CO 0.09 -0.51 -0.06 0.00 0.00 0.00 0.00 179.25 178.78 3h1s h ALA 69 N 1.01 0.67 -0.38 0.00 0.00 -0.98 -1.91 119.26 117.68 3h1s h ALA 69 Ca 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3h1s h ALA 69 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3h1s h ALA 69 CO -0.05 0.53 -0.01 1.96 0.00 0.00 0.00 179.25 181.68 3h1s h GLN 70 N 0.76 0.60 -0.16 0.00 1.08 -1.15 0.14 115.11 116.39 3h1s h GLN 70 Ca 0.13 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3h1s h GLN 70 Cb 0.60 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3h1s h GLN 70 CO 0.04 0.63 0.08 0.28 -0.95 0.00 0.00 178.83 178.91 3h1s h VAL 71 N 0.57 1.10 -0.22 -0.54 2.07 -0.66 -1.58 116.25 116.99 3h1s h VAL 71 Ca 0.12 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3h1s h VAL 71 Cb 0.38 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3h1s h VAL 71 CO 0.01 0.10 0.13 0.15 0.02 0.00 0.00 177.57 177.98 3h1s h PHE 72 N 0.15 0.29 -0.58 1.57 3.57 -0.89 -2.18 116.94 118.87 3h1s h PHE 72 Ca 0.05 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3h1s h PHE 72 Cb 0.08 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3h1s h PHE 72 CO -0.04 0.23 0.22 -0.91 -2.23 0.00 0.00 178.31 175.58 3h1s h ASN 73 N 0.27 0.81 -0.36 0.41 2.35 -0.62 0.33 115.58 118.77 3h1s h ASN 73 Ca 0.08 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 3h1s h ASN 73 Cb 0.02 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3h1s h ASN 73 CO -0.01 0.77 -0.21 0.45 -1.65 0.00 0.00 177.43 176.78 3h1s h HIS 74 N 0.80 0.91 -0.46 1.19 3.86 -1.23 0.25 115.15 120.48 3h1s h HIS 74 Ca 0.19 -0.24 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3h1s h HIS 74 Cb 0.22 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3h1s h HIS 74 CO 0.01 0.99 0.30 1.15 0.86 0.00 0.00 177.93 181.24 3h1s h THR 75 N 0.58 1.11 -0.23 2.45 2.02 -1.17 -1.03 112.91 116.64 3h1s h THR 75 Ca 0.08 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.09 3h1s h THR 75 Cb 0.77 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3h1s h THR 75 CO 0.06 0.11 -0.01 0.15 0.37 0.00 0.00 175.52 176.20 3h1s h PHE 76 N 0.62 -0.03 -0.43 3.16 3.57 -0.77 -2.72 116.94 120.34 3h1s h PHE 76 Ca 0.17 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.75 3h1s h PHE 76 Cb -0.07 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3h1s h PHE 76 CO -0.05 -0.04 0.12 -0.92 -2.23 0.00 0.00 178.31 175.19 3h1s h TYR 77 N 0.06 0.21 -0.23 0.41 3.20 -0.44 -1.69 116.97 118.49 3h1s h TYR 77 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3h1s h TYR 77 Cb 0.14 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3h1s h TYR 77 CO -0.20 0.05 0.05 -1.49 -1.64 0.00 0.00 178.16 174.94 3h1s h TRP 78 N 0.27 0.32 0.00 -3.82 -0.00 -1.05 -1.80 115.95 109.88 3h1s h TRP 78 Ca 0.21 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 59.03 3h1s h TRP 78 Cb 0.23 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 3h1s h TRP 78 CO -0.18 0.30 -0.24 -0.91 -0.00 0.00 0.00 178.44 177.41 3h1s h ASN 79 N 0.33 0.00 0.87 -3.49 2.35 -1.05 -3.04 115.58 111.55 3h1s h ASN 79 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3h1s h ASN 79 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3h1s h ASN 79 CO -0.00 0.24 0.00 0.00 -1.65 0.00 0.00 177.43 176.02 3h1s s LEU 81 N -3.06 2.98 -0.15 0.00 1.43 -1.15 0.36 118.68 119.09 3h1s s LEU 81 Ca 0.12 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 3h1s s LEU 81 Cb 0.16 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.78 3h1s s LEU 81 CO 0.46 0.12 0.84 0.28 0.23 0.00 0.00 176.35 178.28 3h1s s THR 82 N -1.56 0.00 -1.89 5.49 -1.32 0.96 -4.66 115.64 112.66 3h1s s THR 82 Ca 0.24 0.00 0.31 0.00 -1.21 0.00 0.00 61.69 61.02 3h1s s THR 82 Cb -0.09 -1.00 0.71 0.00 -1.51 0.00 0.00 72.50 70.61 3h1s s THR 82 CO 0.15 0.00 2.07 -0.81 -2.21 0.00 0.00 174.62 173.82 3h1s n PRO 83 N 1.28 0.91 -3.58 7.08 -0.04 -1.26 -4.62 135.00 134.77 3h1s n PRO 83 Ca -0.15 -0.16 -0.23 0.00 -0.04 0.00 0.00 63.50 62.93 3h1s n PRO 83 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 3h1s n PRO 83 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3h1s s ASN 84 N -2.20 6.31 0.12 3.54 0.01 -1.26 -5.07 114.94 116.40 3h1s s ASN 84 Ca 0.40 0.33 -0.30 0.00 -0.71 0.00 0.00 52.86 52.58 3h1s s ASN 84 Cb 0.21 -1.98 -0.07 0.00 0.41 0.00 0.00 41.25 39.83 3h1s s ASN 84 CO 0.40 -0.21 1.16 -0.75 -1.51 0.00 0.00 177.10 176.19 3h1s s LYS 85 N -4.14 4.50 0.11 -0.60 2.20 -1.26 -4.97 119.74 115.59 3h1s s LYS 85 Ca 0.38 1.76 -0.05 0.00 -0.36 0.00 0.00 55.97 57.69 3h1s s LYS 85 Cb -0.10 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 3h1s s LYS 85 CO 0.33 -0.11 0.14 0.95 -0.36 0.00 0.00 175.35 176.31 3h1s s THR 86 N 0.41 0.13 0.05 3.43 -4.23 -1.26 -5.02 115.64 109.14 3h1s s THR 86 Ca 0.54 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.44 3h1s s THR 86 Cb -0.30 -1.68 -0.00 0.00 1.34 0.00 0.00 72.50 71.86 3h1s s THR 86 CO 0.32 -0.58 0.17 -1.83 -0.54 0.00 0.00 174.62 172.17 3h1s s GLU 87 N -3.95 0.70 0.33 3.99 -1.05 -1.26 -4.81 118.70 112.65 3h1s s GLU 87 Ca 0.13 -0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 53.95 3h1s s GLU 87 Cb 0.06 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 3h1s s GLU 87 CO -0.05 -0.20 1.33 0.00 0.95 0.00 0.00 175.26 177.29 3h1s s ALA 88 N -2.80 3.51 0.88 -0.84 0.00 -1.26 -4.27 121.76 116.98 3h1s s ALA 88 Ca -0.03 1.29 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 3h1s s ALA 88 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.66 3h1s s ALA 88 CO -0.05 -0.68 0.58 -1.13 0.00 0.00 0.00 175.76 174.47 3h1s n SER 89 N 0.85 -1.36 -0.21 0.00 3.41 -1.26 -4.73 113.62 110.32 3h1s n SER 89 Ca 0.00 0.42 -0.02 0.00 -0.26 0.00 0.00 58.87 59.02 3h1s n SER 89 Cb 0.41 -1.26 0.20 0.00 -0.26 0.00 0.00 64.21 63.30 3h1s n SER 89 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h1s h SER 90 N -1.26 0.88 -0.14 4.04 4.64 -1.98 0.14 113.55 119.87 3h1s h SER 90 Ca -0.44 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 3h1s h SER 90 Cb 1.30 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3h1s h SER 90 CO 0.38 0.73 0.04 1.56 -0.87 0.00 0.00 176.83 178.67 3h1s h GLN 91 N 0.98 0.22 -0.63 4.77 7.50 -1.99 -0.42 115.11 125.54 3h1s h GLN 91 Ca 0.25 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.32 3h1s h GLN 91 Cb 0.06 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.53 3h1s h GLN 91 CO -0.04 0.36 0.28 1.25 -1.50 0.00 0.00 178.83 179.19 3h1s h LEU 92 N 0.04 0.85 -0.23 1.46 5.85 -1.86 -1.33 115.31 120.09 3h1s h LEU 92 Ca 0.05 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3h1s h LEU 92 Cb 0.24 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3h1s h LEU 92 CO -0.00 0.76 0.02 0.11 -0.34 0.00 0.00 178.44 178.99 3h1s h LYS 93 N 0.88 0.09 -0.84 1.25 1.57 -0.89 -0.60 116.57 118.03 3h1s h LYS 93 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3h1s h LYS 93 Cb 0.15 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3h1s h LYS 93 CO -0.02 0.06 0.54 0.00 -0.57 0.00 0.00 179.45 179.46 3h1s h ALA 94 N 1.18 1.07 -0.54 3.86 0.00 -0.86 -1.02 119.26 122.94 3h1s h ALA 94 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3h1s h ALA 94 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3h1s h ALA 94 CO -0.16 0.49 0.17 0.00 0.00 0.00 0.00 179.25 179.75 3h1s h ALA 95 N 1.30 0.71 -0.57 0.00 0.00 -0.87 -0.76 119.26 119.06 3h1s h ALA 95 Ca 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3h1s h ALA 95 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3h1s h ALA 95 CO -0.06 0.38 0.22 -0.07 0.00 0.00 0.00 179.25 179.72 3h1s h LEU 96 N 0.75 0.80 -0.24 0.00 3.38 -0.73 0.08 115.31 119.34 3h1s h LEU 96 Ca 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h1s h LEU 96 Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3h1s h LEU 96 CO -0.01 0.75 0.09 0.40 0.09 0.00 0.00 178.44 179.77 3h1s h ILE 97 N 0.79 1.18 -0.20 1.22 2.04 -1.06 0.59 117.51 122.08 3h1s h ILE 97 Ca 0.19 -0.57 -0.15 0.00 1.00 0.00 0.00 64.86 65.34 3h1s h ILE 97 Cb 0.21 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3h1s h ILE 97 CO -0.01 0.19 -0.49 -0.33 0.00 0.00 0.00 178.15 177.51 3h1s h GLU 98 N 0.24 0.53 0.17 2.37 5.08 -0.91 0.17 114.58 122.22 3h1s h GLU 98 Ca 0.08 -0.30 -0.23 0.00 -1.00 0.00 0.00 59.36 57.91 3h1s h GLU 98 Cb 0.21 0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.51 3h1s h GLU 98 CO -0.00 0.90 -1.00 1.15 -1.00 0.00 0.00 179.01 179.05 3h1s h THR 99 N 0.42 1.44 -0.00 1.13 2.02 -0.91 -3.40 112.91 113.61 3h1s h THR 99 Ca 0.02 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.63 3h1s h THR 99 Cb 1.00 3.15 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 3h1s h THR 99 CO 0.09 0.74 -0.25 0.49 0.37 0.00 0.00 175.52 176.97 3h1s n PHE 100 N -4.02 0.00 0.00 3.16 3.72 0.19 -5.01 117.46 115.51 3h1s n PHE 100 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3h1s n PHE 100 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 3h1s n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h1s n GLY 101 N 1.02 3.00 3.62 1.37 0.00 0.58 -4.57 105.19 110.20 3h1s n GLY 101 Ca 0.02 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 3h1s n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h1s s SER 102 N 0.03 -0.32 0.23 1.61 1.04 -1.25 -4.74 113.70 110.29 3h1s s SER 102 Ca 0.00 -0.21 -0.07 0.00 0.48 0.00 0.00 55.95 56.15 3h1s s SER 102 Cb 0.00 0.50 0.20 0.00 0.10 0.00 0.00 66.02 66.81 3h1s s SER 102 CO 0.00 -0.86 1.84 0.58 0.98 0.00 0.00 173.24 175.78 3h1s h VAL 103 N 2.00 1.26 -0.68 5.02 2.07 -1.89 -2.15 116.25 121.87 3h1s h VAL 103 Ca -0.24 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 3h1s h VAL 103 Cb 1.25 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3h1s h VAL 103 CO 0.29 0.30 0.13 -0.08 0.02 0.00 0.00 177.57 178.23 3h1s h GLU 104 N 1.24 1.11 -0.66 1.57 4.57 -1.97 -1.42 114.58 119.02 3h1s h GLU 104 Ca 0.31 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3h1s h GLU 104 Cb 0.07 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 3h1s h GLU 104 CO -0.04 1.00 0.43 -0.91 -1.18 0.00 0.00 179.01 178.30 3h1s h ASN 105 N 1.05 0.77 -0.32 1.04 2.35 -1.80 -0.47 115.58 118.20 3h1s h ASN 105 Ca 0.21 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3h1s h ASN 105 Cb 0.41 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3h1s h ASN 105 CO 0.01 0.58 0.18 0.15 -1.65 0.00 0.00 177.43 176.70 3h1s h PHE 106 N 0.90 0.34 -0.79 1.19 3.57 -0.96 -1.34 116.94 119.84 3h1s h PHE 106 Ca 0.24 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 3h1s h PHE 106 Cb -0.08 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3h1s h PHE 106 CO -0.02 0.20 0.52 0.87 -2.23 0.00 0.00 178.31 177.65 3h1s h LYS 107 N 0.37 1.02 0.09 1.11 1.57 -0.48 -0.17 116.57 120.08 3h1s h LYS 107 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3h1s h LYS 107 Cb 0.01 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.09 3h1s h LYS 107 CO -0.06 0.68 -0.04 0.93 -0.57 0.00 0.00 179.45 180.38 3h1s h GLU 108 N 1.05 -0.11 -0.71 3.15 5.08 -0.69 -0.02 114.58 122.33 3h1s h GLU 108 Ca 0.29 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 3h1s h GLU 108 Cb -0.09 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3h1s h GLU 108 CO -0.07 0.10 0.46 1.96 -1.00 0.00 0.00 179.01 180.47 3h1s h GLN 109 N -0.32 0.93 -0.33 2.33 4.20 -0.76 -1.31 115.11 119.86 3h1s h GLN 109 Ca -0.01 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3h1s h GLN 109 Cb 0.27 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3h1s h GLN 109 CO 0.02 0.62 -0.08 0.35 -0.67 0.00 0.00 178.83 179.08 3h1s h PHE 110 N 0.96 0.71 -0.85 2.96 3.57 -0.98 -0.95 116.94 122.36 3h1s h PHE 110 Ca 0.26 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3h1s h PHE 110 Cb -0.10 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 3h1s h PHE 110 CO -0.02 0.80 0.55 0.77 -2.23 0.00 0.00 178.31 178.18 3h1s h SER 111 N 0.41 0.99 -0.44 0.41 0.02 -0.83 -0.59 113.55 113.52 3h1s h SER 111 Ca 0.08 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3h1s h SER 111 Cb 0.57 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3h1s h SER 111 CO 0.03 0.73 0.03 0.50 -1.14 0.00 0.00 176.83 176.98 3h1s h LYS 112 N 1.16 0.75 -0.53 3.45 3.64 -1.00 -1.27 116.57 122.77 3h1s h LYS 112 Ca 0.31 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3h1s h LYS 112 Cb -0.12 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3h1s h LYS 112 CO -0.07 0.80 0.29 0.00 -2.27 0.00 0.00 179.45 178.20 3h1s h ALA 113 N 0.92 0.68 -0.66 5.00 0.00 -0.71 -1.03 119.26 123.47 3h1s h ALA 113 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h1s h ALA 113 Cb 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3h1s h ALA 113 CO 0.02 0.21 0.36 0.00 0.00 0.00 0.00 179.25 179.83 3h1s h ALA 114 N 1.12 0.85 -0.28 0.00 0.00 -0.98 -2.60 119.26 117.36 3h1s h ALA 114 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3h1s h ALA 114 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h1s h ALA 114 CO -0.03 0.37 -0.27 0.82 0.00 0.00 0.00 179.25 180.14 3h1s h ILE 115 N 0.91 1.27 0.00 0.00 2.04 -0.97 -3.19 117.51 117.58 3h1s h ILE 115 Ca 0.23 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3h1s h ILE 115 Cb 0.05 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3h1s h ILE 115 CO -0.04 0.43 -0.25 0.00 0.00 0.00 0.00 178.15 178.30 3h1s n ALA 116 N -2.49 2.90 -1.83 1.87 0.00 -0.41 -4.85 120.51 115.69 3h1s n ALA 116 Ca -0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 3h1s n ALA 116 Cb 0.43 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 3h1s n ALA 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h1s s THR 117 N -3.01 2.63 -0.10 0.00 2.01 -1.00 -4.95 115.64 111.23 3h1s s THR 117 Ca 0.12 0.27 -0.14 0.00 0.31 0.00 0.00 61.69 62.26 3h1s s THR 117 Cb 0.18 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 3h1s s THR 117 CO 0.61 0.01 0.33 0.12 -0.69 0.00 0.00 174.62 175.00 3h1s s PHE 118 N 2.10 3.58 0.00 4.92 5.36 -1.26 -4.91 117.98 127.77 3h1s s PHE 118 Ca 0.75 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 3h1s s PHE 118 Cb -0.44 -2.29 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 3h1s s PHE 118 CO 0.33 0.44 0.00 0.41 -1.46 0.00 0.00 175.22 174.95 3h1s n GLY 119 N 2.63 -0.82 3.77 13.12 0.00 -1.26 -4.82 105.19 117.81 3h1s n GLY 119 Ca -0.13 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 3h1s n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1s s SER 120 N -4.00 7.41 0.00 1.61 0.01 -1.26 -4.76 113.70 112.71 3h1s s SER 120 Ca 0.00 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.94 3h1s s SER 120 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3h1s s SER 120 CO 0.00 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.45 3h1s n GLY 121 N 1.52 -0.57 2.94 3.44 0.00 -1.26 -0.61 105.19 110.64 3h1s n GLY 121 Ca -0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 3h1s n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h1s s TRP 122 N -3.12 0.23 -0.13 1.61 0.52 -0.52 -0.84 118.94 116.70 3h1s s TRP 122 Ca 0.00 -0.23 -0.04 0.00 0.02 0.00 0.00 56.10 55.85 3h1s s TRP 122 Cb 0.00 -0.15 -0.03 0.00 -1.15 0.00 0.00 33.47 32.13 3h1s s TRP 122 CO 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 176.95 176.91 3h1s s ALA 123 N -0.62 3.27 0.01 0.98 0.00 -0.44 -0.93 121.76 124.03 3h1s s ALA 123 Ca -0.06 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3h1s s ALA 123 Cb -0.04 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 3h1s s ALA 123 CO -0.00 0.41 -0.13 -1.58 0.00 0.00 0.00 175.76 174.45 3h1s s TRP 124 N -0.31 1.18 -0.21 0.00 0.52 0.68 -0.94 118.94 119.85 3h1s s TRP 124 Ca 0.07 -0.27 -0.08 0.00 0.02 0.00 0.00 56.10 55.84 3h1s s TRP 124 Cb -0.12 -0.74 -0.04 0.00 -1.15 0.00 0.00 33.47 31.42 3h1s s TRP 124 CO 0.02 -0.00 0.09 -1.17 0.02 0.00 0.00 176.95 175.91 3h1s s LEU 125 N -0.59 3.85 0.21 2.99 2.96 -0.24 -0.88 118.68 126.97 3h1s s LEU 125 Ca 0.04 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.06 3h1s s LEU 125 Cb -0.06 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3h1s s LEU 125 CO 0.00 0.11 -0.13 0.68 -1.32 0.00 0.00 176.35 175.69 3h1s s VAL 126 N 0.79 1.66 -0.21 1.68 -7.23 -0.65 0.14 120.40 116.59 3h1s s VAL 126 Ca 0.05 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.01 3h1s s VAL 126 Cb -0.13 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.74 3h1s s VAL 126 CO 0.02 -0.57 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.39 3h1s s LYS 127 N -3.67 3.16 0.98 4.82 2.20 -0.16 -1.81 119.74 125.27 3h1s s LYS 127 Ca 0.23 -0.75 -0.16 0.00 -0.36 0.00 0.00 55.97 54.93 3h1s s LYS 127 Cb 0.00 -2.85 0.21 0.00 -1.51 0.00 0.00 37.83 33.68 3h1s s LYS 127 CO 0.07 -0.23 1.34 0.54 -0.36 0.00 0.00 175.35 176.71 3h1s s ASN 128 N 1.39 2.95 0.51 1.43 2.20 -0.12 -1.39 114.94 121.91 3h1s s ASN 128 Ca 0.05 0.22 0.29 0.00 -0.94 0.00 0.00 52.86 52.47 3h1s s ASN 128 Cb -0.14 -0.21 1.27 0.00 -2.00 0.00 0.00 41.25 40.17 3h1s s ASN 128 CO -0.07 -2.83 1.97 0.71 -2.94 0.00 0.00 177.10 173.94 3h1s h THR 129 N -1.71 0.36 0.00 0.54 1.35 -1.90 0.89 112.91 112.43 3h1s h THR 129 Ca -0.44 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3h1s h THR 129 Cb 1.22 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3h1s h THR 129 CO 0.35 0.12 0.00 -0.62 -0.25 0.00 0.00 175.52 175.12 3h1s n GLU 130 N -3.34 0.99 -0.91 4.72 4.71 -1.26 -4.88 120.64 120.67 3h1s n GLU 130 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3h1s n GLU 130 Cb 0.33 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.40 3h1s n GLU 130 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3h1s n GLY 131 N 0.84 0.67 3.77 0.62 0.00 0.31 -5.04 105.19 106.36 3h1s n GLY 131 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3h1s n GLY 131 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1s s LYS 132 N -0.09 4.67 0.14 1.61 2.20 -1.25 -4.71 119.74 122.31 3h1s s LYS 132 Ca 0.00 1.32 -0.26 0.00 -0.36 0.00 0.00 55.97 56.66 3h1s s LYS 132 Cb 0.00 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 3h1s s LYS 132 CO 0.00 0.45 0.82 -0.51 -0.36 0.00 0.00 175.35 175.75 3h1s s LEU 133 N -1.49 4.56 0.02 5.43 1.43 -1.26 -0.95 118.68 126.42 3h1s s LEU 133 Ca 0.43 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 3h1s s LEU 133 Cb -0.22 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 3h1s s LEU 133 CO 0.27 0.13 -0.03 -1.61 0.23 0.00 0.00 176.35 175.34 3h1s s GLU 134 N -0.78 0.32 -0.15 1.70 2.02 -0.75 -4.98 118.70 116.08 3h1s s GLU 134 Ca 0.38 -0.60 -0.16 0.00 0.02 0.00 0.00 54.97 54.62 3h1s s GLU 134 Cb -0.23 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 3h1s s GLU 134 CO 0.27 -0.04 0.37 0.42 0.02 0.00 0.00 175.26 176.30 3h1s s ILE 135 N -1.39 5.25 -0.05 -1.63 1.01 -1.26 -1.63 121.20 121.49 3h1s s ILE 135 Ca -0.15 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.24 3h1s s ILE 135 Cb -0.10 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.67 3h1s s ILE 135 CO -0.01 0.34 -0.10 -0.69 0.00 0.00 0.00 174.94 174.48 3h1s s VAL 136 N 0.66 0.97 0.08 2.92 1.01 -0.06 -5.00 120.40 120.99 3h1s s VAL 136 Ca 0.20 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3h1s s VAL 136 Cb -0.14 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3h1s s VAL 136 CO 0.07 0.31 0.10 0.42 0.00 0.00 0.00 175.10 176.00 3h1s s THR 137 N 0.59 4.67 0.14 3.92 -4.23 -1.26 -0.23 115.64 119.23 3h1s s THR 137 Ca -0.11 -0.73 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 3h1s s THR 137 Cb -0.14 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 3h1s s THR 137 CO 0.02 0.11 -0.14 0.42 -0.54 0.00 0.00 174.62 174.49 3h1s s THR 138 N -1.43 1.44 -0.13 3.99 -4.23 -0.11 -5.00 115.64 110.17 3h1s s THR 138 Ca 0.30 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 58.88 3h1s s THR 138 Cb -0.12 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 3h1s s THR 138 CO 0.23 -0.45 0.20 -0.55 -0.54 0.00 0.00 174.62 173.51 3h1s s SER 139 N -2.65 6.42 2.00 3.99 0.15 -1.26 -1.44 113.70 120.91 3h1s s SER 139 Ca 0.12 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3h1s s SER 139 Cb -0.04 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3h1s s SER 139 CO 0.04 0.30 0.00 0.59 1.20 0.00 0.00 173.24 175.37 3h1s n ASN 140 N 2.52 0.00 -0.94 5.45 3.02 0.21 -1.25 115.26 124.27 3h1s n ASN 140 Ca -0.17 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.50 3h1s n ASN 140 Cb 0.54 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.94 3h1s n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1s n ALA 141 N 10.03 2.46 -1.60 5.41 0.00 -1.26 -4.52 120.51 131.03 3h1s n ALA 141 Ca 0.00 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.23 3h1s n ALA 141 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 3h1s n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1s n GLY 142 N 1.37 -0.18 2.90 0.00 0.00 -0.38 -4.43 105.19 104.47 3h1s n GLY 142 Ca 0.17 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 3h1s n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1s h PRO 144 N 6.63 0.00 -0.88 0.00 0.13 -1.94 -1.70 132.00 134.24 3h1s h PRO 144 Ca -0.34 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.97 3h1s h PRO 144 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 3h1s h PRO 144 CO 0.46 0.00 0.58 -0.07 -0.23 0.00 0.00 178.00 178.74 3h1s h LEU 145 N 0.00 0.49 -0.18 1.56 3.38 -1.95 -0.54 115.31 118.08 3h1s h LEU 145 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h1s h LEU 145 Cb 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3h1s h LEU 145 CO 0.00 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.10 3h1s n THR 146 N -4.54 0.95 -0.81 0.22 -2.24 -0.64 -1.42 114.28 105.81 3h1s n THR 146 Ca 0.18 0.24 0.08 0.00 -2.27 0.00 0.00 64.05 62.28 3h1s n THR 146 Cb 0.60 -1.04 0.26 0.00 -2.10 0.00 0.00 70.33 68.05 3h1s n THR 146 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h1s n GLU 147 N -1.69 3.14 -2.64 -0.78 1.02 -0.27 -4.97 120.64 114.44 3h1s n GLU 147 Ca 0.03 -2.72 -0.21 0.00 -0.02 0.00 0.00 57.16 54.24 3h1s n GLU 147 Cb 0.19 -1.78 0.01 0.00 -0.02 0.00 0.00 31.44 29.84 3h1s n GLU 147 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3h1s n ASN 148 N -0.11 -5.93 -4.52 1.62 5.15 -0.51 -5.01 115.26 105.95 3h1s n ASN 148 Ca 0.20 -0.13 -0.32 0.00 -0.60 0.00 0.00 54.58 53.74 3h1s n ASN 148 Cb 0.83 -4.86 -0.12 0.00 -0.53 0.00 0.00 39.78 35.10 3h1s n ASN 148 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3h1s s LYS 149 N -5.29 2.40 -0.23 1.20 1.02 -0.82 -4.49 119.74 113.53 3h1s s LYS 149 Ca 0.12 -0.78 -0.15 0.00 0.02 0.00 0.00 55.97 55.18 3h1s s LYS 149 Cb -0.05 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3h1s s LYS 149 CO 0.15 0.59 0.38 0.21 -0.92 0.00 0.00 175.35 175.76 3h1s s LYS 150 N -1.22 4.10 0.25 1.68 2.20 -0.48 -3.40 119.74 122.86 3h1s s LYS 150 Ca 0.15 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 3h1s s LYS 150 Cb -0.11 -3.59 -0.09 0.00 -1.51 0.00 0.00 37.83 32.53 3h1s s LYS 150 CO 0.05 -0.14 1.09 -1.25 -0.36 0.00 0.00 175.35 174.73 3h1s s PRO 151 N 1.65 4.65 -0.09 4.03 0.04 -1.26 -0.99 135.00 143.03 3h1s s PRO 151 Ca 0.17 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.01 3h1s s PRO 151 Cb -0.15 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 3h1s s PRO 151 CO 0.08 0.20 -0.02 1.28 0.04 0.00 0.00 177.00 178.59 3h1s n LEU 152 N 1.56 1.12 -3.73 -3.56 4.77 0.12 -4.90 117.00 112.39 3h1s n LEU 152 Ca -0.00 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3h1s n LEU 152 Cb 0.45 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 3h1s n LEU 152 CO 0.54 0.38 0.10 -0.22 -1.33 0.00 0.00 177.39 176.85 3h1s s LEU 153 N -4.97 0.42 0.00 2.23 2.96 -1.05 -4.21 118.68 114.06 3h1s s LEU 153 Ca -0.08 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 3h1s s LEU 153 Cb 0.03 1.47 -0.00 0.00 0.50 0.00 0.00 46.19 48.18 3h1s s LEU 153 CO 0.30 -0.22 -0.02 0.28 -1.32 0.00 0.00 176.35 175.37 3h1s s THR 154 N -0.11 0.12 -0.21 3.68 -1.32 -1.26 -1.08 115.64 115.46 3h1s s THR 154 Ca -0.03 -0.22 -0.03 0.00 -1.21 0.00 0.00 61.69 60.20 3h1s s THR 154 Cb -0.03 -0.14 -0.01 0.00 -1.51 0.00 0.00 72.50 70.81 3h1s s THR 154 CO 0.02 -0.07 -0.06 -0.36 -2.21 0.00 0.00 174.62 171.94 3h1s s PHE 155 N -0.30 2.94 0.01 9.09 0.08 -0.11 -4.81 117.98 124.88 3h1s s PHE 155 Ca -0.02 -0.93 -0.30 0.00 0.12 0.00 0.00 56.93 55.79 3h1s s PHE 155 Cb -0.02 -2.07 -0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3h1s s PHE 155 CO -0.00 -0.52 1.30 0.34 -0.10 0.00 0.00 175.22 176.24 3h1s s ASP 156 N 1.35 6.95 -0.03 1.36 -1.08 -1.26 -1.33 116.67 122.63 3h1s s ASP 156 Ca 0.04 2.04 0.05 0.00 -0.52 0.00 0.00 52.55 54.16 3h1s s ASP 156 Cb -0.14 -2.57 0.08 0.00 -1.46 0.00 0.00 42.92 38.83 3h1s s ASP 156 CO -0.03 -0.62 1.02 1.33 0.52 0.00 0.00 175.17 177.38 3h1s n VAL 157 N 4.41 1.17 -1.69 1.11 0.24 -0.02 -4.86 118.33 118.69 3h1s n VAL 157 Ca 0.11 -1.27 -0.41 0.00 -2.04 0.00 0.00 64.34 60.74 3h1s n VAL 157 Cb 0.45 0.33 0.01 0.00 -1.47 0.00 0.00 33.84 33.16 3h1s n VAL 157 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3h1s n TRP 158 N -0.71 1.97 -0.26 6.34 7.02 -1.14 -4.36 117.44 126.30 3h1s n TRP 158 Ca 0.04 0.50 0.03 0.00 -1.02 0.00 0.00 57.50 57.05 3h1s n TRP 158 Cb 0.37 -2.35 0.25 0.00 -2.42 0.00 0.00 31.31 27.17 3h1s n TRP 158 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3h1s h GLU 159 N 1.93 0.98 -0.44 -0.99 5.08 -1.95 -1.33 114.58 117.86 3h1s h GLU 159 Ca -0.47 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 57.95 3h1s h GLU 159 Cb 1.30 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3h1s h GLU 159 CO 0.59 0.65 0.52 1.12 -1.00 0.00 0.00 179.01 180.89 3h1s h HIS 160 N 1.01 0.00 0.00 4.33 2.07 -1.99 0.77 115.15 121.34 3h1s h HIS 160 Ca 0.33 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.79 3h1s h HIS 160 Cb 0.07 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.04 3h1s h HIS 160 CO -0.00 0.00 -0.31 0.00 -3.07 0.00 0.00 177.93 174.55 3h1s h ALA 161 N 1.37 1.10 0.00 6.11 0.00 -1.57 -3.37 119.26 122.91 3h1s h ALA 161 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h1s h ALA 161 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h1s h ALA 161 CO -0.00 0.39 -0.02 2.48 0.00 0.00 0.00 179.25 182.10 3h1s n TYR 162 N -3.61 0.00 -0.20 0.00 0.18 -0.61 -4.92 117.16 108.00 3h1s n TYR 162 Ca -0.01 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.72 3h1s n TYR 162 Cb 0.44 0.00 0.11 0.00 -0.38 0.00 0.00 39.34 39.50 3h1s n TYR 162 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 3h1s h TYR 163 N 0.00 1.05 -0.96 -3.48 5.03 -1.05 0.19 116.97 117.74 3h1s h TYR 163 Ca 0.00 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.20 3h1s h TYR 163 Cb 0.00 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 37.94 3h1s h TYR 163 CO 0.00 0.87 0.62 0.82 -1.32 0.00 0.00 178.16 179.15 3h1s h ILE 164 N 0.95 1.25 0.00 1.81 2.04 -1.84 0.02 117.51 121.75 3h1s h ILE 164 Ca 0.20 -0.49 -0.28 0.00 1.00 0.00 0.00 64.86 65.30 3h1s h ILE 164 Cb 0.36 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 3h1s h ILE 164 CO 0.00 0.25 -2.05 0.47 0.00 0.00 0.00 178.15 176.83 3h1s n ASP 165 N -4.38 0.32 0.00 1.72 8.00 -0.76 -4.60 116.55 116.86 3h1s n ASP 165 Ca 0.11 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.76 3h1s n ASP 165 Cb 0.03 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 3h1s n ASP 165 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h1s n TYR 166 N -2.77 0.00 0.00 1.24 4.01 0.59 -5.10 117.16 115.13 3h1s n TYR 166 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 3h1s n TYR 166 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 3h1s n TYR 166 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3h1s n ARG 167 N -0.06 0.00 0.00 -0.72 5.12 -0.01 -1.33 116.66 119.66 3h1s n ARG 167 Ca 0.00 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 3h1s n ARG 167 Cb 0.11 0.00 0.81 0.00 -1.16 0.00 0.00 32.46 32.23 3h1s n ARG 167 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3h1s n ASN 168 N 2.31 0.00 -3.54 0.55 6.94 -1.26 -4.36 115.26 115.89 3h1s n ASN 168 Ca 0.00 -0.48 -0.41 0.00 -0.02 0.00 0.00 54.58 53.68 3h1s n ASN 168 Cb 0.00 -0.17 -0.01 0.00 -2.36 0.00 0.00 39.78 37.24 3h1s n ASN 168 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h1s n ALA 169 N -1.17 6.38 -0.33 -2.53 0.00 -0.44 -4.72 120.51 117.70 3h1s n ALA 169 Ca 0.18 -3.70 0.08 0.00 0.00 0.00 0.00 53.44 50.00 3h1s n ALA 169 Cb 0.18 -3.47 0.28 0.00 0.00 0.00 0.00 19.45 16.44 3h1s n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1s h ARG 170 N 5.60 0.89 -0.69 0.00 2.43 -1.83 -2.20 114.38 118.59 3h1s h ARG 170 Ca 0.70 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.87 3h1s h ARG 170 Cb 0.48 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3h1s h ARG 170 CO 1.84 0.59 0.45 -1.35 -1.51 0.00 0.00 179.97 180.00 3h1s h PRO 171 N 0.92 0.70 -0.42 0.20 0.11 -1.95 -0.74 132.00 130.83 3h1s h PRO 171 Ca 0.48 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.47 3h1s h PRO 171 Cb 0.53 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3h1s h PRO 171 CO -0.24 0.47 -0.04 0.87 -0.21 0.00 0.00 178.00 178.84 3h1s h LYS 172 N 0.72 0.76 -0.10 1.05 1.79 -1.81 -0.11 116.57 118.88 3h1s h LYS 172 Ca 0.29 -0.26 0.04 0.00 -2.18 0.00 0.00 60.65 58.54 3h1s h LYS 172 Cb 0.23 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 3h1s h LYS 172 CO -0.09 0.86 -0.15 -0.92 -1.08 0.00 0.00 179.45 178.07 3h1s h TYR 173 N 0.59 -0.38 -0.46 -1.35 3.20 -1.25 -0.77 116.97 116.55 3h1s h TYR 173 Ca 0.11 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3h1s h TYR 173 Cb 0.54 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3h1s h TYR 173 CO 0.04 -0.22 0.26 0.28 -1.64 0.00 0.00 178.16 176.89 3h1s h VAL 174 N -0.20 1.16 -0.35 1.81 2.07 -1.04 -0.62 116.25 119.08 3h1s h VAL 174 Ca 0.08 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3h1s h VAL 174 Cb 0.31 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3h1s h VAL 174 CO -0.21 0.16 0.14 -0.08 0.02 0.00 0.00 177.57 177.59 3h1s h GLU 175 N 0.61 0.28 0.00 1.57 4.81 -0.92 -2.93 114.58 118.00 3h1s h GLU 175 Ca 0.16 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3h1s h GLU 175 Cb 0.03 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3h1s h GLU 175 CO -0.03 0.19 -0.39 0.00 -0.73 0.00 0.00 179.01 178.05 3h1s h ALA 176 N 1.21 1.33 -0.57 2.92 0.00 -0.57 -3.04 119.26 120.54 3h1s h ALA 176 Ca 0.15 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3h1s h ALA 176 Cb 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3h1s h ALA 176 CO -0.14 0.49 0.37 -0.07 0.00 0.00 0.00 179.25 179.90 3h1s h LEU 177 N 0.00 0.59 -1.71 0.00 3.38 -0.93 -1.54 115.31 115.10 3h1s h LEU 177 Ca -0.00 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.15 3h1s h LEU 177 Cb 0.71 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3h1s h LEU 177 CO 0.05 0.41 0.55 -0.50 0.09 0.00 0.00 178.44 179.05 3h1s h TRP 178 N 0.69 0.33 0.00 1.13 4.06 -1.61 -0.38 115.95 120.17 3h1s h TRP 178 Ca 0.22 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.18 3h1s h TRP 178 Cb 0.04 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.10 3h1s h TRP 178 CO -0.00 0.10 -0.01 -0.44 -3.56 0.00 0.00 178.44 174.53 3h1s h ASP 179 N 0.26 0.00 0.00 -3.49 3.32 -1.48 -3.15 116.42 111.87 3h1s h ASP 179 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3h1s h ASP 179 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3h1s h ASP 179 CO -0.10 0.01 0.00 2.30 -1.72 0.00 0.00 179.24 179.73 3h1s n ILE 180 N -3.22 0.79 -1.72 0.35 -5.35 -0.20 -5.01 119.36 104.99 3h1s n ILE 180 Ca -0.02 -0.89 -0.42 0.00 -0.27 0.00 0.00 62.75 61.15 3h1s n ILE 180 Cb 0.13 0.61 -0.03 0.00 -1.74 0.00 0.00 39.64 38.61 3h1s n ILE 180 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3h1s s VAL 181 N -0.79 2.25 -0.96 7.28 1.01 -0.91 -0.02 120.40 128.25 3h1s s VAL 181 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 3h1s s VAL 181 Cb 0.00 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.48 3h1s s VAL 181 CO 0.00 0.00 1.21 0.21 0.00 0.00 0.00 175.10 176.52 3h1s s ASN 182 N 1.86 6.61 0.47 3.32 3.84 0.16 -4.74 114.94 126.46 3h1s s ASN 182 Ca 0.78 -1.93 0.32 0.00 0.21 0.00 0.00 52.86 52.23 3h1s s ASN 182 Cb -0.48 -2.44 1.38 0.00 -0.55 0.00 0.00 41.25 39.16 3h1s s ASN 182 CO 0.34 -1.16 1.94 -0.50 -2.79 0.00 0.00 177.10 174.93 3h1s h TRP 183 N 9.01 0.00 -0.07 0.43 4.06 -1.86 -2.04 115.95 125.47 3h1s h TRP 183 Ca 0.17 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 3h1s h TRP 183 Cb 1.02 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3h1s h TRP 183 CO 1.19 0.00 -0.09 0.37 -3.56 0.00 0.00 178.44 176.35 3h1s h GLN 184 N 0.00 0.19 -0.39 0.49 4.15 -1.89 -1.30 115.11 116.36 3h1s h GLN 184 Ca 0.00 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 3h1s h GLN 184 Cb 0.38 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3h1s h GLN 184 CO 0.00 0.65 0.23 0.35 -1.93 0.00 0.00 178.83 178.13 3h1s h PHE 185 N -0.25 0.52 -0.78 3.99 3.57 -1.76 -0.63 116.94 121.61 3h1s h PHE 185 Ca 0.01 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3h1s h PHE 185 Cb 0.62 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 3h1s h PHE 185 CO 0.10 0.39 0.44 0.28 -2.23 0.00 0.00 178.31 177.29 3h1s h VAL 186 N 0.51 0.95 -0.57 1.41 2.07 -1.40 -0.56 116.25 118.66 3h1s h VAL 186 Ca 0.14 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3h1s h VAL 186 Cb 0.03 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 3h1s h VAL 186 CO -0.02 0.14 0.03 0.28 0.02 0.00 0.00 177.57 178.02 3h1s h SER 187 N 0.78 0.92 -0.53 0.57 0.02 -0.75 -0.97 113.55 113.59 3h1s h SER 187 Ca 0.36 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 3h1s h SER 187 Cb 0.28 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3h1s h SER 187 CO -0.22 0.96 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.99 3h1s h GLU 188 N 0.89 1.02 -0.20 3.45 5.08 -0.53 -1.43 114.58 122.86 3h1s h GLU 188 Ca 0.17 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 3h1s h GLU 188 Cb 0.47 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3h1s h GLU 188 CO 0.02 1.06 -0.29 1.96 -1.00 0.00 0.00 179.01 180.76 3h1s h GLN 189 N 0.91 0.38 -0.54 2.33 1.08 -0.87 -3.04 115.11 115.36 3h1s h GLN 189 Ca 0.14 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 3h1s h GLN 189 Cb 0.68 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 3h1s h GLN 189 CO 0.05 0.64 -0.08 0.35 -0.95 0.00 0.00 178.83 178.84 3h1s h PHE 190 N 0.34 1.11 -1.80 2.96 3.57 -0.65 -3.45 116.94 119.02 3h1s h PHE 190 Ca 0.05 -0.21 -0.66 0.00 3.53 0.00 0.00 57.97 60.67 3h1s h PHE 190 Cb 0.69 -0.28 0.05 0.00 2.79 0.00 0.00 35.95 39.20 3h1s h PHE 190 CO 0.02 1.02 0.55 0.00 -2.23 0.00 0.00 178.31 177.67 3h1s n ALA 191 N -2.49 -0.43 -0.11 2.41 0.00 -0.59 -5.08 120.51 114.22 3h1s n ALA 191 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3h1s n ALA 191 Cb 0.38 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3h1s n ALA 191 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25