#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1s s PHE 3 N 0.00 3.41 0.04 5.64 0.08 -1.26 -5.05 117.98 120.84 3h1s s PHE 3 Ca 0.00 1.56 0.09 0.00 0.12 0.00 0.00 56.93 58.70 3h1s s PHE 3 Cb 0.00 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 39.01 3h1s s PHE 3 CO 0.00 -1.03 -0.26 -1.21 -0.10 0.00 0.00 175.22 172.62 3h1s s GLU 4 N -1.23 1.81 0.02 0.44 2.02 -1.26 -4.91 118.70 115.59 3h1s s GLU 4 Ca 0.48 -1.08 -0.32 0.00 0.02 0.00 0.00 54.97 54.07 3h1s s GLU 4 Cb -0.34 -1.95 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 3h1s s GLU 4 CO 0.43 0.51 1.91 -0.11 0.02 0.00 0.00 175.26 178.02 3h1s n LEU 5 N 1.87 3.92 -4.82 1.80 7.94 -1.26 -4.96 117.00 121.48 3h1s n LEU 5 Ca -0.17 0.94 -0.33 0.00 -1.11 0.00 0.00 56.01 55.35 3h1s n LEU 5 Cb 0.52 -1.48 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 3h1s n LEU 5 CO 0.23 0.11 0.65 -2.16 -1.11 0.00 0.00 177.39 175.11 3h1s s PRO 6 N 3.95 4.19 0.33 1.96 0.05 -1.26 -4.99 135.00 139.22 3h1s s PRO 6 Ca 0.89 1.09 -0.29 0.00 0.05 0.00 0.00 61.00 62.73 3h1s s PRO 6 Cb -0.52 -2.18 -0.11 0.00 0.05 0.00 0.00 34.50 31.74 3h1s s PRO 6 CO 0.44 -0.06 1.52 0.21 0.05 0.00 0.00 177.00 179.16 3h1s s LYS 7 N -3.29 4.14 0.42 4.56 2.20 -1.26 -4.96 119.74 121.54 3h1s s LYS 7 Ca 0.61 2.53 -0.26 0.00 -0.36 0.00 0.00 55.97 58.49 3h1s s LYS 7 Cb -0.09 -3.01 -0.09 0.00 -1.51 0.00 0.00 37.83 33.13 3h1s s LYS 7 CO 0.16 -0.54 1.36 -1.17 -0.36 0.00 0.00 175.35 174.79 3h1s s LEU 8 N -1.27 4.20 0.00 5.43 2.96 -1.26 -4.90 118.68 123.84 3h1s s LEU 8 Ca 0.57 2.77 0.08 0.00 -0.22 0.00 0.00 54.13 57.33 3h1s s LEU 8 Cb -0.46 -3.89 0.49 0.00 0.50 0.00 0.00 46.19 42.83 3h1s s LEU 8 CO 0.55 -0.95 1.23 -2.65 -1.32 0.00 0.00 176.35 173.21 3h1s n PRO 9 N 0.07 0.90 -3.84 0.98 -0.02 -1.26 -4.83 135.00 127.00 3h1s n PRO 9 Ca 0.04 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.45 3h1s n PRO 9 Cb 0.43 -1.14 -0.01 0.00 -0.02 0.00 0.00 33.50 32.75 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 -0.11 0.73 6.00 -0.85 -1.26 -5.06 117.35 114.80 3h1s s TYR 10 Ca 0.12 -0.37 -0.13 0.00 -0.52 0.00 0.00 57.07 56.17 3h1s s TYR 10 Cb 0.06 0.73 0.04 0.00 0.38 0.00 0.00 41.96 43.16 3h1s s TYR 10 CO 0.10 -1.25 1.11 0.00 -1.52 0.00 0.00 175.55 173.99 3h1s s ALA 11 N -3.46 2.27 0.48 9.51 0.00 -1.26 -4.91 121.76 124.38 3h1s s ALA 11 Ca 0.12 0.46 0.26 0.00 0.00 0.00 0.00 51.96 52.80 3h1s s ALA 11 Cb -0.05 -3.32 1.50 0.00 0.00 0.00 0.00 23.12 21.25 3h1s s ALA 11 CO 0.07 -1.65 2.12 -0.39 0.00 0.00 0.00 175.76 175.91 3h1s h VAL 12 N -0.64 0.64 -0.62 0.00 -1.51 -1.98 -1.92 116.25 110.22 3h1s h VAL 12 Ca -0.45 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 3h1s h VAL 12 Cb 1.25 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3h1s h VAL 12 CO 0.52 0.09 0.00 -0.90 -1.23 0.00 0.00 177.57 176.04 3h1s n ASP 13 N -3.82 3.86 0.24 4.19 5.75 -1.26 -4.14 116.55 121.37 3h1s n ASP 13 Ca -0.02 -2.10 0.13 0.00 -0.01 0.00 0.00 54.79 52.78 3h1s n ASP 13 Cb 0.19 -0.45 0.50 0.00 -1.03 0.00 0.00 41.12 40.33 3h1s n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h1s h ALA 14 N 3.68 1.00 -0.20 2.12 0.00 -1.70 -2.92 119.26 121.24 3h1s h ALA 14 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h1s h ALA 14 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3h1s h ALA 14 CO 0.04 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.73 3h1s n LEU 15 N -3.23 2.54 -4.76 0.00 4.77 -1.26 -4.55 117.00 110.50 3h1s n LEU 15 Ca 0.01 -1.01 -0.41 0.00 -0.03 0.00 0.00 56.01 54.57 3h1s n LEU 15 Cb 0.40 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3h1s n LEU 15 CO 0.31 0.50 1.05 -1.61 -1.33 0.00 0.00 177.39 176.31 3h1s s GLU 16 N -1.76 4.28 0.00 3.23 2.02 -1.00 -0.83 118.70 124.63 3h1s s GLU 16 Ca 0.34 2.31 0.23 0.00 0.02 0.00 0.00 54.97 57.87 3h1s s GLU 16 Cb 0.20 -3.06 0.43 0.00 0.10 0.00 0.00 34.13 31.80 3h1s s GLU 16 CO 0.30 -0.33 1.40 0.45 0.02 0.00 0.00 175.26 177.10 3h1s n SER 17 N 1.22 3.49 -0.03 -0.19 2.88 -1.26 -4.89 113.62 114.84 3h1s n SER 17 Ca 0.02 -1.99 -0.13 0.00 -1.33 0.00 0.00 58.87 55.44 3h1s n SER 17 Cb 0.41 -0.26 -0.09 0.00 -0.75 0.00 0.00 64.21 63.51 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 4.41 1.40 -3.32 2.46 2.02 -1.35 -3.42 112.91 115.10 3h1s h THR 18 Ca 0.00 -1.29 -0.56 0.00 0.77 0.00 0.00 66.41 65.33 3h1s h THR 18 Cb 0.98 2.17 -0.34 0.00 -1.74 0.00 0.00 68.15 69.22 3h1s h THR 18 CO 0.00 0.35 -0.83 -0.63 0.37 0.00 0.00 175.52 174.78 3h1s s ILE 19 N -4.12 1.37 0.67 3.11 1.01 -0.62 -4.96 121.20 117.66 3h1s s ILE 19 Ca -0.15 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3h1s s ILE 19 Cb 0.02 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 3h1s s ILE 19 CO 0.70 0.41 1.05 -0.94 0.00 0.00 0.00 174.94 176.17 3h1s s SER 20 N 0.86 5.61 0.43 3.58 1.04 -1.26 -2.39 113.70 121.57 3h1s s SER 20 Ca -0.10 1.59 0.09 0.00 0.48 0.00 0.00 55.95 58.01 3h1s s SER 20 Cb -0.15 -2.49 0.92 0.00 0.10 0.00 0.00 66.02 64.39 3h1s s SER 20 CO 0.01 -1.28 2.07 0.50 0.98 0.00 0.00 173.24 175.51 3h1s h LYS 21 N -0.51 0.46 -0.20 4.02 3.64 -1.90 -1.30 116.57 120.79 3h1s h LYS 21 Ca -0.44 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3h1s h LYS 21 Cb 1.21 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3h1s h LYS 21 CO 0.58 0.31 0.08 1.49 -2.27 0.00 0.00 179.45 179.64 3h1s h GLU 22 N 0.48 0.29 -0.29 1.90 4.81 -1.92 -0.75 114.58 119.10 3h1s h GLU 22 Ca 0.14 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3h1s h GLU 22 Cb -0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3h1s h GLU 22 CO -0.03 0.35 0.17 1.15 -0.73 0.00 0.00 179.01 179.92 3h1s h THR 23 N 0.17 1.04 -0.72 0.32 2.02 -1.75 -2.04 112.91 111.95 3h1s h THR 23 Ca 0.07 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.23 3h1s h THR 23 Cb 0.16 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 67.15 3h1s h THR 23 CO -0.01 0.06 0.34 0.40 0.37 0.00 0.00 175.52 176.69 3h1s h ILE 24 N 0.35 0.80 -0.37 3.11 1.08 -1.08 0.34 117.51 121.75 3h1s h ILE 24 Ca 0.11 -0.19 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 3h1s h ILE 24 Cb -0.01 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 3h1s h ILE 24 CO -0.05 0.10 0.13 -0.33 -0.69 0.00 0.00 178.15 177.31 3h1s h GLU 25 N 0.56 0.57 -0.04 2.37 5.08 -0.46 0.86 114.58 123.52 3h1s h GLU 25 Ca 0.36 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3h1s h GLU 25 Cb 0.43 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3h1s h GLU 25 CO -0.30 0.56 -0.11 1.88 -1.00 0.00 0.00 179.01 180.04 3h1s h TYR 26 N 0.45 0.19 0.41 4.33 0.05 -1.26 -0.74 116.97 120.40 3h1s h TYR 26 Ca 0.12 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 3h1s h TYR 26 Cb 0.22 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3h1s h TYR 26 CO 0.00 0.73 -0.20 1.25 -1.05 0.00 0.00 178.16 178.90 3h1s h HIS 27 N -0.39 -0.51 0.00 4.88 2.76 -0.26 -0.62 115.15 121.01 3h1s h HIS 27 Ca -0.00 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3h1s h HIS 27 Cb 0.73 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.86 3h1s h HIS 27 CO 0.13 -0.20 -0.00 -0.92 -1.30 0.00 0.00 177.93 175.64 3h1s h TYR 28 N -0.81 -0.00 0.00 5.26 3.20 -0.98 -0.32 116.97 123.32 3h1s h TYR 28 Ca -0.06 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3h1s h TYR 28 Cb 0.54 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3h1s h TYR 28 CO 0.01 0.85 -0.23 0.78 -1.64 0.00 0.00 178.16 177.93 3h1s h GLY 29 N -0.87 0.00 0.00 1.82 0.00 -0.97 -3.11 103.07 99.94 3h1s h GLY 29 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3h1s h GLY 29 CO 0.00 0.00 -0.73 0.28 0.00 0.00 0.00 176.54 176.09 3h1s n LYS 30 N -3.35 0.01 0.36 4.80 5.02 -0.81 -4.55 118.16 119.65 3h1s n LYS 30 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 3h1s n LYS 30 Cb 0.45 -0.52 -0.07 0.00 -0.02 0.00 0.00 35.03 34.87 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 -0.02 -0.88 -0.60 2.13 3.86 -0.99 -0.50 115.15 118.16 3h1s h HIS 31 Ca -0.01 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.29 3h1s h HIS 31 Cb 0.72 0.29 -0.09 0.00 1.06 0.00 0.00 27.41 29.39 3h1s h HIS 31 CO -0.00 -0.55 0.12 1.25 0.86 0.00 0.00 177.93 179.61 3h1s h HIS 32 N -1.25 0.20 -0.23 2.45 -0.00 -1.10 -0.64 115.15 114.59 3h1s h HIS 32 Ca -0.10 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 3h1s h HIS 32 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 3h1s h HIS 32 CO 0.00 -0.03 0.02 0.37 -0.00 0.00 0.00 177.93 178.29 3h1s h GLN 33 N 0.26 0.32 -0.22 5.26 5.75 -1.53 -2.44 115.11 122.51 3h1s h GLN 33 Ca 0.31 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 58.60 3h1s h GLN 33 Cb 0.46 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 3h1s h GLN 33 CO -0.40 0.33 -0.55 1.15 -2.65 0.00 0.00 178.83 176.71 3h1s h THR 34 N 0.32 1.31 -0.47 2.39 2.02 0.50 -0.54 112.91 118.44 3h1s h THR 34 Ca 0.08 -1.78 -0.05 0.00 0.77 0.00 0.00 66.41 65.43 3h1s h THR 34 Cb 0.18 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3h1s h THR 34 CO 0.00 0.56 0.11 1.88 0.37 0.00 0.00 175.52 178.44 3h1s h TYR 35 N 0.51 0.79 0.17 3.16 0.05 -1.14 0.19 116.97 120.71 3h1s h TYR 35 Ca 0.01 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 3h1s h TYR 35 Cb 1.12 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.63 3h1s h TYR 35 CO 0.05 0.72 -0.11 0.28 -1.05 0.00 0.00 178.16 178.06 3h1s h VAL 36 N 0.63 0.76 0.12 -2.88 2.07 -1.23 -1.01 116.25 114.71 3h1s h VAL 36 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 3h1s h VAL 36 Cb 0.34 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3h1s h VAL 36 CO 0.00 0.00 -0.16 0.74 0.02 0.00 0.00 177.57 178.17 3h1s h THR 37 N -0.28 0.63 -0.69 2.57 2.02 -0.84 -2.01 112.91 114.30 3h1s h THR 37 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 3h1s h THR 37 Cb 0.24 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 3h1s h THR 37 CO 0.01 0.00 0.39 0.78 0.37 0.00 0.00 175.52 177.07 3h1s h ASN 38 N -0.33 0.58 0.10 4.18 2.35 -0.56 -1.45 115.58 120.46 3h1s h ASN 38 Ca 0.02 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3h1s h ASN 38 Cb 0.34 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3h1s h ASN 38 CO -0.07 0.37 -0.10 0.25 -1.65 0.00 0.00 177.43 176.23 3h1s h LEU 39 N 0.72 -0.27 -0.32 1.61 5.85 -0.99 0.27 115.31 122.18 3h1s h LEU 39 Ca 0.31 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.12 3h1s h LEU 39 Cb 0.19 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3h1s h LEU 39 CO -0.18 -0.16 -0.07 0.78 -0.34 0.00 0.00 178.44 178.47 3h1s h ASN 40 N -0.23 -0.27 -0.99 1.25 2.35 -0.75 0.15 115.58 117.10 3h1s h ASN 40 Ca 0.01 0.09 0.09 0.00 -0.55 0.00 0.00 56.30 55.94 3h1s h ASN 40 Cb 0.22 0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.70 3h1s h ASN 40 CO -0.03 -0.10 0.64 0.78 -1.65 0.00 0.00 177.43 177.07 3h1s h ASN 41 N 0.01 0.97 0.79 5.81 2.35 -0.93 -3.07 115.58 121.51 3h1s h ASN 41 Ca 0.16 0.03 -0.24 0.00 -0.55 0.00 0.00 56.30 55.70 3h1s h ASN 41 Cb 0.23 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3h1s h ASN 41 CO -0.32 0.56 -1.09 -0.07 -1.65 0.00 0.00 177.43 174.86 3h1s h LEU 42 N 1.06 0.22 -0.59 1.61 3.38 0.13 -3.29 115.31 117.83 3h1s h LEU 42 Ca 0.46 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 3h1s h LEU 42 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3h1s h LEU 42 CO -0.22 1.16 -0.49 0.58 0.09 0.00 0.00 178.44 179.56 3h1s h VAL 43 N 0.05 1.01 -2.84 1.22 2.07 -0.82 -3.45 116.25 113.49 3h1s h VAL 43 Ca -0.07 -1.95 -0.52 0.00 0.82 0.00 0.00 66.70 64.98 3h1s h VAL 43 Cb 1.83 2.17 0.07 0.00 -1.52 0.00 0.00 31.29 33.83 3h1s h VAL 43 CO 0.16 0.48 0.98 1.21 0.02 0.00 0.00 177.57 180.42 3h1s n GLU 44 N -3.46 2.77 -1.02 1.57 2.13 -1.17 -1.10 120.64 120.36 3h1s n GLU 44 Ca 0.00 0.99 -0.01 0.00 0.66 0.00 0.00 57.16 58.81 3h1s n GLU 44 Cb 0.62 -2.82 -0.00 0.00 0.27 0.00 0.00 31.44 29.50 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 3.44 0.43 3.82 8.31 0.00 -1.26 -5.02 105.19 114.91 3h1s n GLY 45 Ca 0.14 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.81 1.39 0.25 2.61 -4.23 -0.26 -5.03 115.64 108.57 3h1s s THR 46 Ca 0.00 -1.79 0.18 0.00 -1.18 0.00 0.00 61.69 58.91 3h1s s THR 46 Cb 0.00 -2.17 0.14 0.00 1.34 0.00 0.00 72.50 71.80 3h1s s THR 46 CO 0.00 0.00 1.80 -0.33 -0.54 0.00 0.00 174.62 175.55 3h1s h GLU 47 N 1.11 0.00 0.00 3.99 5.08 -1.96 -2.17 114.58 120.64 3h1s h GLU 47 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3h1s h GLU 47 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3h1s h GLU 47 CO 0.67 0.35 0.00 0.72 -1.00 0.00 0.00 179.01 179.75 3h1s n HIS 48 N -3.68 0.00 -2.15 4.33 8.25 -1.26 -4.74 115.22 115.97 3h1s n HIS 48 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3h1s n HIS 48 Cb 0.45 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 3h1s n HIS 48 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3h1s s ASP 49 N -2.42 6.77 -1.16 0.41 -1.08 -0.82 -1.49 116.67 116.88 3h1s s ASP 49 Ca 0.25 2.09 -0.04 0.00 -0.52 0.00 0.00 52.55 54.33 3h1s s ASP 49 Cb 0.15 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 3h1s s ASP 49 CO 0.32 -0.84 0.90 0.61 0.52 0.00 0.00 175.17 176.68 3h1s n GLY 50 N 3.91 -0.68 3.38 2.66 0.00 -1.26 -5.00 105.19 108.20 3h1s n GLY 50 Ca 0.16 0.31 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 3h1s n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h1s s ARG 51 N -5.18 1.43 0.72 1.61 3.52 -0.56 -5.15 118.95 115.34 3h1s s ARG 51 Ca 0.20 -1.66 -0.11 0.00 -0.13 0.00 0.00 55.73 54.03 3h1s s ARG 51 Cb -0.04 -1.24 0.03 0.00 -1.56 0.00 0.00 34.95 32.14 3h1s s ARG 51 CO 0.76 0.18 1.10 0.54 -0.81 0.00 0.00 175.30 177.08 3h1s s ASN 52 N -3.37 5.21 0.05 -2.12 2.20 -1.26 -4.91 114.94 110.74 3h1s s ASN 52 Ca 0.25 1.00 -0.23 0.00 -0.94 0.00 0.00 52.86 52.94 3h1s s ASN 52 Cb -0.01 -1.73 -0.15 0.00 -2.00 0.00 0.00 41.25 37.36 3h1s s ASN 52 CO 0.09 -1.47 1.55 0.25 -2.94 0.00 0.00 177.10 174.58 3h1s h LEU 53 N -0.72 0.09 -1.28 3.54 5.85 -1.99 -2.23 115.31 118.56 3h1s h LEU 53 Ca -0.45 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.01 3h1s h LEU 53 Cb 1.27 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3h1s h LEU 53 CO 0.64 0.28 0.05 -0.33 -0.34 0.00 0.00 178.44 178.74 3h1s h GLU 54 N -0.11 0.53 -0.33 1.25 5.08 -1.95 -1.49 114.58 117.57 3h1s h GLU 54 Ca 0.02 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 3h1s h GLU 54 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3h1s h GLU 54 CO -0.00 0.52 -0.30 0.93 -1.00 0.00 0.00 179.01 179.17 3h1s h GLU 55 N 0.52 0.69 -0.52 2.33 5.08 -1.94 -2.22 114.58 118.52 3h1s h GLU 55 Ca 0.12 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 3h1s h GLU 55 Cb 0.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3h1s h GLU 55 CO 0.00 0.90 -0.01 0.82 -1.00 0.00 0.00 179.01 179.72 3h1s h ILE 56 N 0.59 1.26 -0.74 3.13 2.04 -0.92 -2.49 117.51 120.38 3h1s h ILE 56 Ca 0.07 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 3h1s h ILE 56 Cb 0.80 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3h1s h ILE 56 CO 0.07 0.39 0.31 0.58 0.00 0.00 0.00 178.15 179.50 3h1s h VAL 57 N 0.79 1.24 0.00 1.67 2.07 -1.15 -0.86 116.25 120.02 3h1s h VAL 57 Ca 0.14 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3h1s h VAL 57 Cb 0.54 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3h1s h VAL 57 CO 0.03 0.31 0.00 0.11 0.02 0.00 0.00 177.57 178.04 3h1s h LYS 58 N 1.06 0.00 0.00 1.57 1.57 -1.33 -3.37 116.57 116.07 3h1s h LYS 58 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3h1s h LYS 58 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3h1s h LYS 58 CO -0.02 0.00 -0.12 0.25 -0.57 0.00 0.00 179.45 178.99 3h1s n THR 59 N -2.49 0.35 -4.49 -0.16 -2.24 -0.95 -4.96 114.28 99.34 3h1s n THR 59 Ca 0.04 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 3h1s n THR 59 Cb 0.41 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.66 3.82 0.41 3.42 1.04 -0.36 -4.99 113.70 116.38 3h1s s SER 60 Ca 0.03 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.38 3h1s s SER 60 Cb 0.02 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 3h1s s SER 60 CO 0.00 -0.18 0.18 -0.46 0.98 0.00 0.00 173.24 173.76 3h1s n ASN 61 N -0.81 0.88 0.00 7.02 6.94 -1.26 -4.63 115.26 123.40 3h1s n ASN 61 Ca -0.05 -3.25 0.00 0.00 -0.02 0.00 0.00 54.58 51.26 3h1s n ASN 61 Cb 0.63 1.19 0.00 0.00 -2.36 0.00 0.00 39.78 39.24 3h1s n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h1s n GLY 62 N -0.88 2.36 0.36 4.83 0.00 -1.26 -2.25 105.19 108.36 3h1s n GLY 62 Ca -0.03 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 0.97 0.82 -0.02 0.00 -1.99 -1.00 103.07 101.84 3h1s h GLY 63 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3h1s h GLY 63 CO 0.00 0.15 -0.07 -2.22 0.00 0.00 0.00 176.54 174.39 3h1s h ILE 64 N 0.65 1.29 0.02 2.60 2.04 -1.91 -2.57 117.51 119.64 3h1s h ILE 64 Ca 0.36 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3h1s h ILE 64 Cb 0.52 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3h1s h ILE 64 CO -0.14 0.34 -0.09 0.15 0.00 0.00 0.00 178.15 178.41 3h1s h PHE 65 N 0.15 -0.22 -0.50 1.37 3.57 -0.96 0.42 116.94 120.77 3h1s h PHE 65 Ca 0.05 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.65 3h1s h PHE 65 Cb 0.54 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 3h1s h PHE 65 CO 0.06 -0.14 0.04 -0.91 -2.23 0.00 0.00 178.31 175.13 3h1s h ASN 66 N -0.16 -0.14 -0.12 0.41 2.35 -1.15 0.28 115.58 117.05 3h1s h ASN 66 Ca 0.03 0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.72 3h1s h ASN 66 Cb 0.19 0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.75 3h1s h ASN 66 CO -0.07 -0.04 -0.59 0.78 -1.65 0.00 0.00 177.43 175.86 3h1s h ASN 67 N 0.16 0.72 -0.11 5.81 4.21 -1.35 -1.65 115.58 123.38 3h1s h ASN 67 Ca 0.25 -0.64 -0.01 0.00 1.21 0.00 0.00 56.30 57.12 3h1s h ASN 67 Cb 0.37 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.35 3h1s h ASN 67 CO -0.39 1.24 0.04 0.00 -1.29 0.00 0.00 177.43 177.04 3h1s h ALA 68 N 0.50 0.14 -0.63 -0.83 0.00 -0.50 -1.41 119.26 116.53 3h1s h ALA 68 Ca -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3h1s h ALA 68 Cb 1.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3h1s h ALA 68 CO 0.12 -0.26 0.24 0.00 0.00 0.00 0.00 179.25 179.36 3h1s h ALA 69 N 0.87 0.83 -0.51 0.00 0.00 -0.51 -0.72 119.26 119.22 3h1s h ALA 69 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3h1s h ALA 69 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3h1s h ALA 69 CO -0.00 0.45 0.16 1.96 0.00 0.00 0.00 179.25 181.82 3h1s h GLN 70 N 0.89 0.75 0.05 0.00 1.08 -1.22 0.21 115.11 116.88 3h1s h GLN 70 Ca 0.21 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3h1s h GLN 70 Cb 0.22 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3h1s h GLN 70 CO -0.02 0.66 -0.03 0.28 -0.95 0.00 0.00 178.83 178.77 3h1s h VAL 71 N 0.73 1.01 -0.45 -0.54 2.07 -0.67 -1.16 116.25 117.24 3h1s h VAL 71 Ca 0.17 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3h1s h VAL 71 Cb 0.22 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3h1s h VAL 71 CO -0.01 0.05 0.23 0.15 0.02 0.00 0.00 177.57 178.01 3h1s h PHE 72 N -0.16 0.64 -0.58 1.57 3.57 -0.74 -2.44 116.94 118.80 3h1s h PHE 72 Ca -0.01 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3h1s h PHE 72 Cb 0.14 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3h1s h PHE 72 CO -0.05 0.51 0.28 -0.91 -2.23 0.00 0.00 178.31 175.91 3h1s h ASN 73 N 0.59 0.77 -0.29 0.41 2.35 -0.52 -1.52 115.58 117.37 3h1s h ASN 73 Ca 0.16 -0.14 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 3h1s h ASN 73 Cb 0.10 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 3h1s h ASN 73 CO -0.02 0.69 -0.42 0.45 -1.65 0.00 0.00 177.43 176.48 3h1s h HIS 74 N 0.80 0.98 -0.64 1.19 3.86 -1.12 0.24 115.15 120.45 3h1s h HIS 74 Ca 0.20 -0.33 0.02 0.00 -1.16 0.00 0.00 60.37 59.10 3h1s h HIS 74 Cb 0.13 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 3h1s h HIS 74 CO -0.00 1.12 0.42 1.15 0.86 0.00 0.00 177.93 181.48 3h1s h THR 75 N 0.56 1.13 -0.11 2.45 2.02 -1.34 -1.26 112.91 116.35 3h1s h THR 75 Ca 0.03 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.94 3h1s h THR 75 Cb 1.02 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3h1s h THR 75 CO 0.10 0.15 0.00 0.15 0.37 0.00 0.00 175.52 176.29 3h1s h PHE 76 N 0.84 -0.00 -0.18 3.16 3.57 -1.08 -2.62 116.94 120.62 3h1s h PHE 76 Ca 0.25 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.80 3h1s h PHE 76 Cb -0.05 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3h1s h PHE 76 CO -0.04 -0.01 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.02 3h1s h TYR 77 N 0.04 -0.21 -0.90 0.41 3.20 -0.58 -1.90 116.97 117.03 3h1s h TYR 77 Ca 0.05 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.01 3h1s h TYR 77 Cb 0.06 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 3h1s h TYR 77 CO -0.13 -0.14 0.59 -1.49 -1.64 0.00 0.00 178.16 175.34 3h1s h TRP 78 N -0.07 1.02 0.00 -3.82 -0.00 -1.08 0.14 115.95 112.14 3h1s h TRP 78 Ca 0.10 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.97 3h1s h TRP 78 Cb 0.22 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 3h1s h TRP 78 CO -0.24 0.52 -0.21 -0.91 -0.00 0.00 0.00 178.44 177.60 3h1s h ASN 79 N 0.99 0.00 0.43 -3.49 2.35 -1.07 -2.67 115.58 112.13 3h1s h ASN 79 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3h1s h ASN 79 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3h1s h ASN 79 CO -0.16 0.21 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 3h1s s LEU 81 N -2.61 2.84 -0.07 0.00 1.43 -1.01 -0.42 118.68 118.83 3h1s s LEU 81 Ca 0.19 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 3h1s s LEU 81 Cb 0.14 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.92 3h1s s LEU 81 CO 0.33 0.10 0.69 0.28 0.23 0.00 0.00 176.35 177.98 3h1s s THR 82 N -1.78 0.00 -1.00 5.49 -1.32 0.17 -4.64 115.64 112.57 3h1s s THR 82 Ca 0.25 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.98 3h1s s THR 82 Cb -0.08 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.12 3h1s s THR 82 CO 0.14 0.00 1.82 -0.81 -2.21 0.00 0.00 174.62 173.56 3h1s n PRO 83 N 1.08 0.00 -3.70 7.08 -0.04 -1.26 -4.58 135.00 133.58 3h1s n PRO 83 Ca -0.18 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.10 3h1s n PRO 83 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -3.02 6.33 0.05 3.54 0.01 -1.26 -5.06 114.94 115.53 3h1s s ASN 84 Ca 0.12 0.29 -0.31 0.00 -0.71 0.00 0.00 52.86 52.25 3h1s s ASN 84 Cb 0.17 -1.96 -0.06 0.00 0.41 0.00 0.00 41.25 39.81 3h1s s ASN 84 CO 0.47 -0.13 1.38 -0.75 -1.51 0.00 0.00 177.10 176.56 3h1s s LYS 85 N -3.89 4.31 0.13 -0.60 2.20 -1.26 -4.98 119.74 115.65 3h1s s LYS 85 Ca 0.37 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 3h1s s LYS 85 Cb -0.10 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3h1s s LYS 85 CO 0.31 -0.50 0.01 0.95 -0.36 0.00 0.00 175.35 175.77 3h1s s THR 86 N 1.83 0.40 0.14 3.43 -4.23 -1.26 -5.04 115.64 110.91 3h1s s THR 86 Ca 0.64 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 3h1s s THR 86 Cb -0.33 -1.98 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 3h1s s THR 86 CO 0.28 -0.57 0.27 -1.83 -0.54 0.00 0.00 174.62 172.23 3h1s s GLU 87 N -3.96 1.05 0.29 3.99 -1.05 -1.26 -4.78 118.70 112.98 3h1s s GLU 87 Ca 0.21 -1.04 -0.29 0.00 -0.15 0.00 0.00 54.97 53.69 3h1s s GLU 87 Cb 0.07 0.38 -0.10 0.00 -0.44 0.00 0.00 34.13 34.04 3h1s s GLU 87 CO 0.01 -0.37 1.22 0.00 0.95 0.00 0.00 175.26 177.06 3h1s s ALA 88 N -3.91 3.46 0.86 -0.84 0.00 -1.26 -4.08 121.76 115.99 3h1s s ALA 88 Ca 0.11 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 3h1s s ALA 88 Cb 0.04 -3.42 0.11 0.00 0.00 0.00 0.00 23.12 19.85 3h1s s ALA 88 CO -0.05 -0.43 1.18 -1.54 0.00 0.00 0.00 175.76 174.92 3h1s s SER 89 N -0.54 3.27 0.27 0.00 1.04 -1.26 -4.79 113.70 111.69 3h1s s SER 89 Ca 0.48 2.27 -0.02 0.00 0.48 0.00 0.00 55.95 59.17 3h1s s SER 89 Cb -0.36 -2.58 0.36 0.00 0.10 0.00 0.00 66.02 63.54 3h1s s SER 89 CO 0.46 -2.88 1.79 0.28 0.98 0.00 0.00 173.24 173.87 3h1s h SER 90 N -1.39 0.76 -0.73 7.02 0.02 -1.98 -0.59 113.55 116.66 3h1s h SER 90 Ca -0.45 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.27 3h1s h SER 90 Cb 1.28 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 3h1s h SER 90 CO 0.44 0.80 0.20 0.06 -1.14 0.00 0.00 176.83 177.18 3h1s h GLN 91 N 0.76 1.15 -0.46 3.45 3.07 -1.99 0.63 115.11 121.72 3h1s h GLN 91 Ca 0.16 -0.27 -0.14 0.00 0.09 0.00 0.00 58.65 58.49 3h1s h GLN 91 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 3h1s h GLN 91 CO 0.01 1.00 -0.26 1.25 0.09 0.00 0.00 178.83 180.93 3h1s h LEU 92 N 1.10 1.03 -0.40 0.06 5.85 -1.88 -1.25 115.31 119.82 3h1s h LEU 92 Ca 0.23 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3h1s h LEU 92 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3h1s h LEU 92 CO -0.00 1.21 0.09 0.50 -0.34 0.00 0.00 178.44 179.90 3h1s h LYS 93 N 0.84 0.65 -0.07 1.25 3.64 -0.89 -0.40 116.57 121.58 3h1s h LYS 93 Ca 0.10 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3h1s h LYS 93 Cb 0.84 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3h1s h LYS 93 CO 0.07 0.67 -0.09 0.00 -2.27 0.00 0.00 179.45 177.84 3h1s h ALA 94 N 0.94 -0.03 -0.57 5.00 0.00 -0.78 -1.19 119.26 122.63 3h1s h ALA 94 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3h1s h ALA 94 Cb 0.32 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3h1s h ALA 94 CO 0.00 -0.56 0.32 0.00 0.00 0.00 0.00 179.25 179.02 3h1s h ALA 95 N 0.93 1.50 -0.52 0.00 0.00 -0.99 -2.11 119.26 118.08 3h1s h ALA 95 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3h1s h ALA 95 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3h1s h ALA 95 CO -0.14 0.42 -0.05 -0.07 0.00 0.00 0.00 179.25 179.41 3h1s h LEU 96 N 0.78 0.91 -0.25 0.00 3.38 -0.48 -2.53 115.31 117.12 3h1s h LEU 96 Ca 0.20 -0.27 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 3h1s h LEU 96 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3h1s h LEU 96 CO -0.04 1.00 -0.56 0.40 0.09 0.00 0.00 178.44 179.34 3h1s h ILE 97 N 0.84 1.28 -0.42 1.22 2.04 -0.80 -0.68 117.51 121.00 3h1s h ILE 97 Ca 0.15 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.26 3h1s h ILE 97 Cb 0.57 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3h1s h ILE 97 CO 0.03 0.56 0.27 -0.08 0.00 0.00 0.00 178.15 178.94 3h1s h GLU 98 N 0.58 0.56 0.01 2.37 4.81 -1.41 0.75 114.58 122.24 3h1s h GLU 98 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3h1s h GLU 98 Cb 1.17 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3h1s h GLU 98 CO 0.12 0.38 -0.07 1.15 -0.73 0.00 0.00 179.01 179.87 3h1s h THR 99 N 0.57 1.77 -0.02 0.32 2.02 -1.43 -3.38 112.91 112.77 3h1s h THR 99 Ca 0.15 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.98 3h1s h THR 99 Cb -0.05 3.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 3h1s h THR 99 CO -0.03 0.61 -0.23 0.49 0.37 0.00 0.00 175.52 176.73 3h1s n PHE 100 N -4.58 0.00 0.00 3.16 3.72 -0.27 -4.99 117.46 114.50 3h1s n PHE 100 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3h1s n PHE 100 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 1.20 2.32 3.65 1.37 0.00 0.26 -4.47 105.19 109.51 3h1s n GLY 101 Ca 0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -0.26 0.09 1.61 1.04 -1.25 -4.69 113.70 110.24 3h1s s SER 102 Ca 0.00 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 55.67 3h1s s SER 102 Cb 0.00 0.64 -0.09 0.00 0.10 0.00 0.00 66.02 66.67 3h1s s SER 102 CO 0.00 -1.17 1.58 0.58 0.98 0.00 0.00 173.24 175.21 3h1s h VAL 103 N 2.11 1.21 -0.96 5.02 2.07 -1.90 -0.64 116.25 123.16 3h1s h VAL 103 Ca -0.25 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 66.67 3h1s h VAL 103 Cb 1.26 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 3h1s h VAL 103 CO 0.32 0.21 0.61 -0.33 0.02 0.00 0.00 177.57 178.40 3h1s h GLU 104 N 0.17 1.09 -0.38 1.57 4.39 -1.97 -1.22 114.58 118.24 3h1s h GLU 104 Ca 0.07 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3h1s h GLU 104 Cb 0.27 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3h1s h GLU 104 CO 0.00 0.72 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.64 3h1s h ASN 105 N 1.12 0.59 -0.73 1.42 2.35 -1.73 -0.07 115.58 118.53 3h1s h ASN 105 Ca 0.41 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 56.07 3h1s h ASN 105 Cb 0.14 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 3h1s h ASN 105 CO -0.17 0.68 0.45 0.15 -1.65 0.00 0.00 177.43 176.89 3h1s h PHE 106 N 0.58 0.84 -0.38 1.19 3.57 -0.12 -1.13 116.94 121.49 3h1s h PHE 106 Ca 0.12 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 3h1s h PHE 106 Cb 0.41 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3h1s h PHE 106 CO 0.02 0.46 -0.33 0.87 -2.23 0.00 0.00 178.31 177.10 3h1s h LYS 107 N 0.86 0.89 0.45 1.11 1.57 -0.13 0.58 116.57 121.91 3h1s h LYS 107 Ca 0.30 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3h1s h LYS 107 Cb 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3h1s h LYS 107 CO -0.13 1.10 -0.36 0.93 -0.57 0.00 0.00 179.45 180.42 3h1s h GLU 108 N 0.70 -0.78 -0.88 3.15 5.08 -0.96 -0.48 114.58 120.41 3h1s h GLU 108 Ca 0.07 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3h1s h GLU 108 Cb 0.91 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3h1s h GLU 108 CO 0.08 -0.52 0.57 1.96 -1.00 0.00 0.00 179.01 180.10 3h1s h GLN 109 N -0.81 1.17 -0.65 2.33 4.20 -1.10 0.10 115.11 120.35 3h1s h GLN 109 Ca -0.04 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 3h1s h GLN 109 Cb 0.70 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3h1s h GLN 109 CO -0.01 0.79 0.12 0.35 -0.67 0.00 0.00 178.83 179.41 3h1s h PHE 110 N 1.20 1.11 -0.43 2.96 3.57 -0.82 -0.77 116.94 123.76 3h1s h PHE 110 Ca 0.32 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3h1s h PHE 110 Cb -0.11 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 3h1s h PHE 110 CO -0.01 0.93 0.01 0.77 -2.23 0.00 0.00 178.31 177.78 3h1s h SER 111 N 0.99 0.73 -0.58 0.41 0.02 -0.01 -0.83 113.55 114.28 3h1s h SER 111 Ca 0.20 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3h1s h SER 111 Cb 0.41 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 3h1s h SER 111 CO 0.01 0.86 0.36 0.50 -1.14 0.00 0.00 176.83 177.41 3h1s h LYS 112 N 0.59 0.69 -0.35 3.45 3.64 -0.64 -0.56 116.57 123.39 3h1s h LYS 112 Ca 0.12 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3h1s h LYS 112 Cb 0.47 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3h1s h LYS 112 CO 0.02 0.46 0.15 0.00 -2.27 0.00 0.00 179.45 177.80 3h1s h ALA 113 N 1.25 0.45 -0.56 5.00 0.00 -0.90 -0.03 119.26 124.47 3h1s h ALA 113 Ca 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h1s h ALA 113 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3h1s h ALA 113 CO -0.10 0.04 0.34 0.00 0.00 0.00 0.00 179.25 179.53 3h1s h ALA 114 N 0.99 0.71 -0.21 0.00 0.00 -0.83 -2.57 119.26 117.36 3h1s h ALA 114 Ca 0.12 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3h1s h ALA 114 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3h1s h ALA 114 CO -0.01 0.19 -0.48 0.82 0.00 0.00 0.00 179.25 179.77 3h1s h ILE 115 N 0.75 1.31 0.00 0.00 2.04 -0.76 -3.19 117.51 117.66 3h1s h ILE 115 Ca 0.20 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.37 3h1s h ILE 115 Cb -0.02 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3h1s h ILE 115 CO -0.04 0.53 0.00 0.00 0.00 0.00 0.00 178.15 178.64 3h1s n ALA 116 N -2.51 2.19 -1.79 1.87 0.00 -0.05 -4.80 120.51 115.42 3h1s n ALA 116 Ca -0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 3h1s n ALA 116 Cb 0.56 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -3.13 3.19 -0.01 0.00 2.01 -0.99 -4.95 115.64 111.77 3h1s s THR 117 Ca 0.10 0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 3h1s s THR 117 Cb 0.12 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 3h1s s THR 117 CO 0.56 -0.02 0.44 0.12 -0.69 0.00 0.00 174.62 175.04 3h1s s PHE 118 N 4.22 3.70 0.00 4.92 5.36 -1.26 -4.86 117.98 130.06 3h1s s PHE 118 Ca 0.83 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.81 3h1s s PHE 118 Cb -0.40 -2.37 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 3h1s s PHE 118 CO 0.37 0.55 0.00 0.41 -1.46 0.00 0.00 175.22 175.09 3h1s n GLY 119 N 2.07 -0.53 3.83 13.12 0.00 -1.26 -4.82 105.19 117.61 3h1s n GLY 119 Ca -0.12 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 6.95 0.00 1.61 0.01 -1.26 -4.75 113.70 112.26 3h1s s SER 120 Ca 0.00 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.58 3h1s s SER 120 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 3h1s s SER 120 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 3h1s n GLY 121 N 0.46 -0.55 3.18 3.44 0.00 -1.26 -0.72 105.19 109.74 3h1s n GLY 121 Ca -0.01 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.41 -0.20 -0.09 1.61 0.52 -0.28 -1.25 118.94 115.83 3h1s s TRP 122 Ca 0.00 0.42 -0.01 0.00 0.02 0.00 0.00 56.10 56.53 3h1s s TRP 122 Cb 0.00 0.07 -0.03 0.00 -1.15 0.00 0.00 33.47 32.36 3h1s s TRP 122 CO 0.00 -0.26 -0.02 0.00 0.02 0.00 0.00 176.95 176.69 3h1s s ALA 123 N -0.64 3.15 -0.01 0.98 0.00 -0.75 -0.45 121.76 124.04 3h1s s ALA 123 Ca -0.07 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.09 3h1s s ALA 123 Cb -0.04 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 3h1s s ALA 123 CO 0.02 0.52 -0.11 -1.58 0.00 0.00 0.00 175.76 174.61 3h1s s TRP 124 N -0.65 0.98 -0.17 0.00 0.52 0.68 -1.71 118.94 118.60 3h1s s TRP 124 Ca 0.10 -0.20 -0.12 0.00 0.02 0.00 0.00 56.10 55.90 3h1s s TRP 124 Cb -0.12 -0.64 -0.05 0.00 -1.15 0.00 0.00 33.47 31.51 3h1s s TRP 124 CO 0.02 -0.03 0.24 -1.17 0.02 0.00 0.00 176.95 176.02 3h1s s LEU 125 N -0.18 4.24 0.16 2.99 2.96 -0.47 -1.51 118.68 126.87 3h1s s LEU 125 Ca 0.03 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3h1s s LEU 125 Cb -0.05 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3h1s s LEU 125 CO -0.00 0.13 0.02 0.68 -1.32 0.00 0.00 176.35 175.86 3h1s s VAL 126 N 0.39 0.52 -0.20 1.68 -7.23 -0.45 -0.14 120.40 114.97 3h1s s VAL 126 Ca 0.14 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.29 3h1s s VAL 126 Cb -0.12 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 3h1s s VAL 126 CO 0.02 -0.46 0.00 -0.75 -0.31 0.00 0.00 175.10 173.61 3h1s s LYS 127 N -3.96 3.65 0.59 4.82 2.20 0.20 -1.93 119.74 125.31 3h1s s LYS 127 Ca 0.24 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 3h1s s LYS 127 Cb 0.07 -3.08 0.08 0.00 -1.51 0.00 0.00 37.83 33.39 3h1s s LYS 127 CO 0.04 0.05 0.81 0.54 -0.36 0.00 0.00 175.35 176.42 3h1s s ASN 128 N 0.91 5.02 0.57 1.43 2.20 0.00 -1.34 114.94 123.72 3h1s s ASN 128 Ca 0.01 -0.66 0.34 0.00 -0.94 0.00 0.00 52.86 51.61 3h1s s ASN 128 Cb -0.14 0.07 1.65 0.00 -2.00 0.00 0.00 41.25 40.83 3h1s s ASN 128 CO 0.02 -1.37 2.11 0.74 -2.94 0.00 0.00 177.10 175.65 3h1s h THR 129 N 0.08 0.21 -0.11 0.54 2.02 -1.88 -0.30 112.91 113.47 3h1s h THR 129 Ca -0.33 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3h1s h THR 129 Cb 1.28 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3h1s h THR 129 CO 0.41 0.05 0.00 1.21 0.37 0.00 0.00 175.52 177.57 3h1s n GLU 130 N -3.28 1.40 -0.98 6.66 4.07 -1.26 -4.88 120.64 122.37 3h1s n GLU 130 Ca -0.01 -0.60 0.00 0.00 -0.06 0.00 0.00 57.16 56.49 3h1s n GLU 130 Cb 0.23 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.31 3h1s n GLU 130 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3h1s n GLY 131 N 0.93 0.41 3.68 8.31 0.00 -0.12 -5.02 105.19 113.37 3h1s n GLY 131 Ca 0.13 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 3h1s n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1s s LYS 132 N -1.65 2.38 0.37 1.61 -0.14 -1.24 -4.86 119.74 116.20 3h1s s LYS 132 Ca 0.00 -1.41 -0.16 0.00 -1.36 0.00 0.00 55.97 53.04 3h1s s LYS 132 Cb 0.00 -2.20 -0.09 0.00 -1.68 0.00 0.00 37.83 33.85 3h1s s LYS 132 CO 0.00 0.31 0.81 -0.51 -0.76 0.00 0.00 175.35 175.20 3h1s s LEU 133 N -3.73 3.99 -0.18 3.17 1.43 -1.26 -0.82 118.68 121.28 3h1s s LEU 133 Ca 0.33 1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 3h1s s LEU 133 Cb -0.06 -4.22 0.05 0.00 0.03 0.00 0.00 46.19 42.00 3h1s s LEU 133 CO 0.21 -0.28 0.45 -0.70 0.23 0.00 0.00 176.35 176.26 3h1s s GLU 134 N -3.17 0.48 -0.17 1.70 2.12 -0.81 -4.90 118.70 113.96 3h1s s GLU 134 Ca 0.56 0.74 -0.17 0.00 0.36 0.00 0.00 54.97 56.47 3h1s s GLU 134 Cb -0.10 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.37 3h1s s GLU 134 CO 0.18 -0.11 0.45 0.42 -0.54 0.00 0.00 175.26 175.65 3h1s s ILE 135 N 0.87 5.18 0.07 -3.70 1.01 -1.26 -1.34 121.20 122.03 3h1s s ILE 135 Ca -0.05 0.84 0.03 0.00 0.00 0.00 0.00 60.65 61.47 3h1s s ILE 135 Cb -0.06 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3h1s s ILE 135 CO -0.07 0.27 -0.10 0.68 0.00 0.00 0.00 174.94 175.72 3h1s s VAL 136 N 1.08 0.83 0.19 2.92 -7.23 -0.57 -5.01 120.40 112.61 3h1s s VAL 136 Ca 0.22 -1.39 0.11 0.00 -1.81 0.00 0.00 61.98 59.11 3h1s s VAL 136 Cb -0.15 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 3h1s s VAL 136 CO 0.09 -0.44 -0.20 0.42 -0.31 0.00 0.00 175.10 174.66 3h1s s THR 137 N -1.89 2.59 0.10 5.32 -4.23 -1.26 -0.23 115.64 116.04 3h1s s THR 137 Ca -0.01 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.62 3h1s s THR 137 Cb -0.06 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 3h1s s THR 137 CO 0.00 -0.12 -0.15 0.42 -0.54 0.00 0.00 174.62 174.23 3h1s s THR 138 N -1.70 1.30 -0.11 3.99 -4.23 0.40 -4.98 115.64 110.29 3h1s s THR 138 Ca 0.22 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 3h1s s THR 138 Cb -0.08 -1.38 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 3h1s s THR 138 CO 0.11 -0.31 0.24 -0.55 -0.54 0.00 0.00 174.62 173.57 3h1s s SER 139 N -2.16 6.47 1.64 3.99 0.15 -1.26 -1.13 113.70 121.41 3h1s s SER 139 Ca 0.05 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.26 3h1s s SER 139 Cb -0.07 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 3h1s s SER 139 CO 0.03 0.28 0.00 0.59 1.20 0.00 0.00 173.24 175.34 3h1s n ASN 140 N 2.55 0.00 -1.11 5.45 3.02 0.10 -1.27 115.26 124.00 3h1s n ASN 140 Ca -0.16 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.50 3h1s n ASN 140 Cb 0.53 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.95 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 9.37 2.43 -1.74 5.41 0.00 -1.26 -4.49 120.51 130.22 3h1s n ALA 141 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.04 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 1.48 1.06 2.92 0.00 0.00 -0.39 -4.48 105.19 105.77 3h1s n GLY 142 Ca 0.20 0.36 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 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 6.76 0.00 -0.64 0.00 0.11 -1.95 -2.11 132.00 134.17 3h1s h PRO 144 Ca -0.36 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.82 3h1s h PRO 144 Cb 1.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3h1s h PRO 144 CO 0.48 0.00 0.43 -0.07 -0.21 0.00 0.00 178.00 178.63 3h1s h LEU 145 N 0.00 0.55 -0.09 2.35 3.38 -1.95 0.54 115.31 120.09 3h1s h LEU 145 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h1s h LEU 145 Cb 0.58 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3h1s h LEU 145 CO -0.00 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.24 3h1s n THR 146 N -4.48 0.95 -0.82 0.22 -2.24 -0.79 -0.75 114.28 106.37 3h1s n THR 146 Ca 0.09 0.24 0.08 0.00 -2.27 0.00 0.00 64.05 62.19 3h1s n THR 146 Cb 0.24 -1.01 0.29 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.60 3.40 -4.13 -0.78 -0.58 0.02 -4.96 120.64 112.02 3h1s n GLU 147 Ca 0.03 -2.81 -0.34 0.00 -0.42 0.00 0.00 57.16 53.62 3h1s n GLU 147 Cb 0.18 -1.86 -0.01 0.00 -0.57 0.00 0.00 31.44 29.19 3h1s n GLU 147 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3h1s n ASN 148 N 0.04 -3.63 -4.65 1.62 4.13 0.07 -4.96 115.26 107.88 3h1s n ASN 148 Ca 0.22 -0.94 -0.28 0.00 1.68 0.00 0.00 54.58 55.25 3h1s n ASN 148 Cb 0.89 -3.10 -0.08 0.00 -1.54 0.00 0.00 39.78 35.95 3h1s n ASN 148 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3h1s s LYS 149 N -6.83 2.36 -0.38 3.52 1.02 -0.26 -4.84 119.74 114.34 3h1s s LYS 149 Ca 0.69 -1.03 -0.18 0.00 0.02 0.00 0.00 55.97 55.47 3h1s s LYS 149 Cb -0.37 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3h1s s LYS 149 CO 0.90 0.49 0.49 0.15 -0.92 0.00 0.00 175.35 176.46 3h1s s LYS 150 N -2.62 3.45 0.22 1.68 1.02 -0.45 -3.72 119.74 119.32 3h1s s LYS 150 Ca 0.26 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 3h1s s LYS 150 Cb -0.10 -3.86 -0.08 0.00 -0.52 0.00 0.00 37.83 33.26 3h1s s LYS 150 CO 0.17 -0.72 1.08 -1.25 -0.92 0.00 0.00 175.35 173.71 3h1s s PRO 151 N 2.34 4.64 -0.05 -1.68 0.04 -1.26 0.59 135.00 139.61 3h1s s PRO 151 Ca 0.17 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 3h1s s PRO 151 Cb -0.16 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 3h1s s PRO 151 CO 0.14 0.16 -0.05 1.28 0.04 0.00 0.00 177.00 178.57 3h1s n LEU 152 N 1.91 1.95 -3.87 -3.56 4.77 0.80 -4.86 117.00 114.14 3h1s n LEU 152 Ca 0.01 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 3h1s n LEU 152 Cb 0.46 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 3h1s n LEU 152 CO 0.53 0.39 -0.22 -0.22 -1.33 0.00 0.00 177.39 176.55 3h1s s LEU 153 N -5.68 1.64 -0.01 2.23 2.96 -1.03 -4.27 118.68 114.53 3h1s s LEU 153 Ca -0.07 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3h1s s LEU 153 Cb 0.02 0.52 -0.00 0.00 0.50 0.00 0.00 46.19 47.23 3h1s s LEU 153 CO 0.10 -0.26 0.07 0.28 -1.32 0.00 0.00 176.35 175.23 3h1s s THR 154 N -0.95 0.06 -0.16 3.68 -1.32 -1.26 -1.36 115.64 114.33 3h1s s THR 154 Ca -0.10 -0.51 -0.01 0.00 -1.21 0.00 0.00 61.69 59.86 3h1s s THR 154 Cb -0.06 -0.28 -0.01 0.00 -1.51 0.00 0.00 72.50 70.65 3h1s s THR 154 CO 0.01 -0.28 -0.13 -0.36 -2.21 0.00 0.00 174.62 171.65 3h1s s PHE 155 N -0.89 2.83 -0.11 9.09 0.08 -0.69 -4.78 117.98 123.50 3h1s s PHE 155 Ca -0.10 -0.89 -0.29 0.00 0.12 0.00 0.00 56.93 55.77 3h1s s PHE 155 Cb -0.06 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3h1s s PHE 155 CO 0.00 -0.40 1.38 0.34 -0.10 0.00 0.00 175.22 176.45 3h1s s ASP 156 N 0.77 6.87 -0.06 1.36 -1.08 -1.26 -1.81 116.67 121.45 3h1s s ASP 156 Ca -0.05 1.89 0.10 0.00 -0.52 0.00 0.00 52.55 53.97 3h1s s ASP 156 Cb -0.15 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 39.00 3h1s s ASP 156 CO 0.01 -0.79 1.17 1.33 0.52 0.00 0.00 175.17 177.40 3h1s n VAL 157 N 5.28 1.45 -1.68 1.11 0.24 -0.38 -4.82 118.33 119.53 3h1s n VAL 157 Ca 0.15 -1.48 -0.43 0.00 -2.04 0.00 0.00 64.34 60.54 3h1s n VAL 157 Cb 0.44 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.98 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 -0.53 2.11 -0.03 6.34 7.02 -1.12 -4.40 117.44 126.84 3h1s n TRP 158 Ca 0.10 0.55 0.07 0.00 -1.02 0.00 0.00 57.50 57.20 3h1s n TRP 158 Cb 0.50 -2.40 0.45 0.00 -2.42 0.00 0.00 31.31 27.44 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 2.77 0.49 -0.43 -0.99 5.08 -1.94 -0.29 114.58 119.26 3h1s h GLU 159 Ca -0.45 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.01 3h1s h GLU 159 Cb 1.29 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3h1s h GLU 159 CO 0.65 0.32 0.37 1.12 -1.00 0.00 0.00 179.01 180.47 3h1s h HIS 160 N 0.50 0.00 0.00 4.33 2.07 -1.99 0.38 115.15 120.44 3h1s h HIS 160 Ca 0.19 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.70 3h1s h HIS 160 Cb 0.15 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.13 3h1s h HIS 160 CO -0.00 0.00 -0.07 0.00 -3.07 0.00 0.00 177.93 174.79 3h1s h ALA 161 N 1.67 1.58 0.00 6.11 0.00 -1.36 -3.36 119.26 123.89 3h1s h ALA 161 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h1s h ALA 161 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3h1s h ALA 161 CO -0.00 0.09 0.00 2.48 0.00 0.00 0.00 179.25 181.81 3h1s n TYR 162 N -4.01 0.00 -0.10 0.00 0.18 -0.82 -4.92 117.16 107.49 3h1s n TYR 162 Ca -0.03 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.75 3h1s n TYR 162 Cb 0.16 0.00 0.27 0.00 -0.38 0.00 0.00 39.34 39.39 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 0.75 -0.79 -3.48 5.03 -1.10 0.15 116.97 117.53 3h1s h TYR 163 Ca 0.00 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.24 3h1s h TYR 163 Cb 0.00 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.01 3h1s h TYR 163 CO 0.00 0.58 0.35 0.82 -1.32 0.00 0.00 178.16 178.59 3h1s h ILE 164 N 0.75 1.25 0.00 1.81 2.04 -1.84 -0.12 117.51 121.40 3h1s h ILE 164 Ca 0.18 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3h1s h ILE 164 Cb 0.14 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3h1s h ILE 164 CO -0.02 0.31 -1.81 0.47 0.00 0.00 0.00 178.15 177.10 3h1s n ASP 165 N -4.30 0.17 0.00 1.72 8.00 -0.57 -4.62 116.55 116.95 3h1s n ASP 165 Ca 0.07 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3h1s n ASP 165 Cb 0.16 1.67 0.00 0.00 -0.02 0.00 0.00 41.12 42.93 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 -2.35 0.00 0.00 1.24 4.01 0.43 -5.08 117.16 115.41 3h1s n TYR 166 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3h1s n TYR 166 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.05 0.00 -0.00 -0.72 5.12 -0.06 -1.14 116.66 119.81 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 0.09 0.00 0.86 0.00 -1.16 0.00 0.00 32.46 32.25 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 4.50 0.26 -3.45 0.55 6.94 -1.26 -4.36 115.26 118.44 3h1s n ASN 168 Ca 0.00 -1.10 -0.40 0.00 -0.02 0.00 0.00 54.58 53.06 3h1s n ASN 168 Cb 0.00 -0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 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 -0.79 6.94 -0.34 -2.53 0.00 -0.29 -4.71 120.51 118.79 3h1s n ALA 169 Ca 0.23 -3.82 0.06 0.00 0.00 0.00 0.00 53.44 49.91 3h1s n ALA 169 Cb 0.15 -3.16 0.22 0.00 0.00 0.00 0.00 19.45 16.67 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 5.02 0.86 -0.47 0.00 2.43 -1.83 -1.54 114.38 118.85 3h1s h ARG 170 Ca 0.75 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.89 3h1s h ARG 170 Cb 0.35 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3h1s h ARG 170 CO 1.68 0.57 0.31 -1.35 -1.51 0.00 0.00 179.97 179.67 3h1s h PRO 171 N 0.88 0.55 -0.31 0.20 0.11 -1.96 0.00 132.00 131.48 3h1s h PRO 171 Ca 0.47 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.48 3h1s h PRO 171 Cb 0.50 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3h1s h PRO 171 CO -0.28 0.37 -0.08 0.87 -0.21 0.00 0.00 178.00 178.66 3h1s h LYS 172 N 0.57 0.60 -0.02 1.05 1.57 -1.69 -0.27 116.57 118.38 3h1s h LYS 172 Ca 0.18 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3h1s h LYS 172 Cb 0.04 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3h1s h LYS 172 CO -0.04 0.79 -0.21 -0.92 -0.57 0.00 0.00 179.45 178.50 3h1s h TYR 173 N 0.37 -0.54 -0.54 -1.35 3.20 -1.11 0.16 116.97 117.16 3h1s h TYR 173 Ca 0.08 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3h1s h TYR 173 Cb 0.58 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 3h1s h TYR 173 CO 0.05 -0.29 0.31 0.28 -1.64 0.00 0.00 178.16 176.87 3h1s h VAL 174 N -0.32 1.17 -0.16 1.81 2.07 -0.92 0.10 116.25 120.00 3h1s h VAL 174 Ca 0.07 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3h1s h VAL 174 Cb 0.41 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3h1s h VAL 174 CO -0.20 0.18 -0.04 -0.08 0.02 0.00 0.00 177.57 177.44 3h1s h GLU 175 N 0.72 -0.00 0.00 1.57 4.81 -0.95 -2.82 114.58 117.90 3h1s h GLU 175 Ca 0.19 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3h1s h GLU 175 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3h1s h GLU 175 CO -0.03 -0.00 -0.17 0.00 -0.73 0.00 0.00 179.01 178.07 3h1s h ALA 176 N 1.16 1.60 -0.66 2.92 0.00 -0.08 -2.93 119.26 121.28 3h1s h ALA 176 Ca 0.08 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3h1s h ALA 176 Cb 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3h1s h ALA 176 CO -0.17 0.21 0.43 -0.07 0.00 0.00 0.00 179.25 179.66 3h1s h LEU 177 N 0.00 0.58 -2.16 0.00 3.38 -0.72 -1.90 115.31 114.49 3h1s h LEU 177 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3h1s h LEU 177 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3h1s h LEU 177 CO 0.02 0.38 0.21 -0.50 0.09 0.00 0.00 178.44 178.64 3h1s h TRP 178 N 0.66 0.00 0.00 1.13 4.06 -1.61 0.66 115.95 120.85 3h1s h TRP 178 Ca 0.28 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.22 3h1s h TRP 178 Cb 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.43 3h1s h TRP 178 CO -0.00 0.00 -0.06 -0.44 -3.56 0.00 0.00 178.44 174.38 3h1s h ASP 179 N 0.00 0.00 0.00 -3.49 3.32 -1.55 -3.00 116.42 111.71 3h1s h ASP 179 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3h1s h ASP 179 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3h1s h ASP 179 CO -0.00 0.06 -0.04 2.30 -1.72 0.00 0.00 179.24 179.84 3h1s n ILE 180 N -3.49 1.29 -2.34 0.35 -5.35 0.20 -4.98 119.36 105.04 3h1s n ILE 180 Ca -0.02 -1.47 -0.42 0.00 -0.27 0.00 0.00 62.75 60.57 3h1s n ILE 180 Cb 0.19 0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.76 3.85 -0.90 7.28 1.01 -1.04 0.46 120.40 129.30 3h1s s VAL 181 Ca 0.15 1.30 -0.20 0.00 0.00 0.00 0.00 61.98 63.23 3h1s s VAL 181 Cb 0.13 -3.83 0.10 0.00 0.00 0.00 0.00 36.38 32.78 3h1s s VAL 181 CO 0.01 0.07 1.17 0.21 0.00 0.00 0.00 175.10 176.56 3h1s s ASN 182 N 1.26 6.52 0.57 3.32 3.84 0.44 -4.76 114.94 126.14 3h1s s ASN 182 Ca 0.60 -1.72 0.36 0.00 0.21 0.00 0.00 52.86 52.31 3h1s s ASN 182 Cb -0.31 -2.44 1.63 0.00 -0.55 0.00 0.00 41.25 39.58 3h1s s ASN 182 CO 0.28 -1.23 2.08 -0.50 -2.79 0.00 0.00 177.10 174.94 3h1s h TRP 183 N 9.18 0.00 -0.34 0.43 4.06 -1.86 -2.10 115.95 125.31 3h1s h TRP 183 Ca 0.08 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.94 3h1s h TRP 183 Cb 1.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.18 3h1s h TRP 183 CO 1.16 0.02 -0.15 0.37 -3.56 0.00 0.00 178.44 176.27 3h1s h GLN 184 N 0.00 0.70 -0.34 0.49 5.75 -1.89 -1.54 115.11 118.28 3h1s h GLN 184 Ca -0.00 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 3h1s h GLN 184 Cb 0.38 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3h1s h GLN 184 CO 0.00 0.90 -0.06 0.35 -2.65 0.00 0.00 178.83 177.37 3h1s h PHE 185 N 0.47 0.71 -0.89 3.99 3.57 -1.73 0.15 116.94 123.21 3h1s h PHE 185 Ca 0.08 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.45 3h1s h PHE 185 Cb 0.69 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 3h1s h PHE 185 CO 0.06 0.79 0.59 0.28 -2.23 0.00 0.00 178.31 177.80 3h1s h VAL 186 N 0.42 1.21 -0.36 1.41 2.07 -1.40 -1.14 116.25 118.46 3h1s h VAL 186 Ca 0.09 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 3h1s h VAL 186 Cb 0.55 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3h1s h VAL 186 CO 0.03 0.22 -0.40 0.28 0.02 0.00 0.00 177.57 177.71 3h1s h SER 187 N 1.18 0.99 0.04 0.57 0.02 -0.87 -1.84 113.55 113.64 3h1s h SER 187 Ca 0.33 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3h1s h SER 187 Cb -0.11 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.16 3h1s h SER 187 CO -0.08 1.26 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.52 3h1s h GLU 188 N 0.73 -0.06 -0.99 3.45 5.08 -0.17 -2.10 114.58 120.52 3h1s h GLU 188 Ca 0.05 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.58 3h1s h GLU 188 Cb 1.00 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.17 3h1s h GLU 188 CO 0.10 0.13 0.62 1.96 -1.00 0.00 0.00 179.01 180.81 3h1s h GLN 189 N -0.23 0.80 0.00 2.33 1.08 -1.25 -0.54 115.11 117.29 3h1s h GLN 189 Ca -0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3h1s h GLN 189 Cb 0.21 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3h1s h GLN 189 CO 0.01 0.53 0.00 0.35 -0.95 0.00 0.00 178.83 178.77 3h1s h PHE 190 N 0.82 0.00 0.00 2.96 3.57 -1.04 -3.48 116.94 119.77 3h1s h PHE 190 Ca 0.54 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.04 3h1s h PHE 190 Cb 0.77 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3h1s h PHE 190 CO -0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08