#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfu s VAL 2 N 0.00 5.07 0.08 5.09 1.01 -1.26 -3.86 120.40 126.52 1qfu s VAL 2 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1qfu s VAL 2 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1qfu s VAL 2 CO 0.00 0.32 -0.18 -1.10 0.00 0.00 0.00 175.10 174.14 1qfu s GLN 3 N 1.33 1.08 -0.41 2.72 -0.21 -0.23 -4.95 119.66 118.98 1qfu s GLN 3 Ca 0.07 -1.02 0.02 0.00 0.02 0.00 0.00 55.36 54.44 1qfu s GLN 3 Cb -0.15 -1.22 0.13 0.00 1.00 0.00 0.00 33.01 32.77 1qfu s GLN 3 CO 0.06 0.29 0.21 -0.51 -2.12 0.00 0.00 175.29 173.22 1qfu s LEU 4 N -1.63 2.69 -0.35 2.90 1.43 -1.26 -0.42 118.68 122.05 1qfu s LEU 4 Ca 0.04 -2.44 -0.26 0.00 -1.03 0.00 0.00 54.13 50.44 1qfu s LEU 4 Cb -0.09 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.11 1qfu s LEU 4 CO 0.03 -0.30 0.94 -1.10 0.23 0.00 0.00 176.35 176.15 1qfu s GLN 5 N 0.59 3.92 0.05 1.70 -0.21 -0.49 -3.52 119.66 121.69 1qfu s GLN 5 Ca 0.16 0.70 0.08 0.00 0.02 0.00 0.00 55.36 56.31 1qfu s GLN 5 Cb -0.23 -3.77 -0.03 0.00 1.00 0.00 0.00 33.01 29.97 1qfu s GLN 5 CO -0.04 -0.89 -0.19 -0.65 -2.12 0.00 0.00 175.29 171.40 1qfu s GLN 6 N 3.43 2.01 0.00 2.91 -0.21 -1.26 -2.07 119.66 124.46 1qfu s GLN 6 Ca 0.39 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1qfu s GLN 6 Cb -0.12 -2.15 0.00 0.00 1.00 0.00 0.00 33.01 31.74 1qfu s GLN 6 CO 0.17 0.53 0.10 -0.35 -2.12 0.00 0.00 175.29 173.61 1qfu n PRO 7 N 1.54 0.12 0.00 2.91 -0.04 -1.26 -4.78 135.00 133.49 1qfu n PRO 7 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1qfu n PRO 7 Cb 0.52 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1qfu n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qfu n GLY 8 N 0.00 0.51 3.26 0.55 0.00 -1.19 -4.78 105.19 103.54 1qfu n GLY 8 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1qfu n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfu s ALA 9 N 0.00 -0.90 -0.01 4.61 0.00 -1.26 -0.15 121.76 124.04 1qfu s ALA 9 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1qfu s ALA 9 Cb 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1qfu s ALA 9 CO 0.00 -0.18 0.00 -1.21 0.00 0.00 0.00 175.76 174.37 1qfu s GLU 10 N 0.06 0.05 -0.23 0.00 0.41 0.14 -4.87 118.70 114.26 1qfu s GLU 10 Ca -0.01 0.04 -0.04 0.00 -0.41 0.00 0.00 54.97 54.55 1qfu s GLU 10 Cb -0.03 -0.14 -0.00 0.00 -1.78 0.00 0.00 34.13 32.18 1qfu s GLU 10 CO 0.01 -0.05 -0.03 -1.17 -0.49 0.00 0.00 175.26 173.54 1qfu s LEU 11 N 0.36 3.06 -0.05 1.80 2.96 -1.26 -0.01 118.68 125.55 1qfu s LEU 11 Ca -0.03 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1qfu s LEU 11 Cb -0.05 -1.75 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 1qfu s LEU 11 CO -0.01 -0.05 -0.17 0.54 -1.32 0.00 0.00 176.35 175.34 1qfu s VAL 12 N 1.47 1.43 0.14 1.68 0.11 0.12 -4.96 120.40 120.38 1qfu s VAL 12 Ca 0.05 -0.70 -0.30 0.00 -2.93 0.00 0.00 61.98 58.09 1qfu s VAL 12 Cb -0.15 -1.24 -0.07 0.00 -1.53 0.00 0.00 36.38 33.39 1qfu s VAL 12 CO -0.02 0.41 1.24 -0.13 -3.33 0.00 0.00 175.10 173.27 1qfu s ARG 13 N 0.13 4.43 0.27 1.54 1.81 -1.26 -1.40 118.95 124.47 1qfu s ARG 13 Ca -0.06 1.90 -0.30 0.00 -1.72 0.00 0.00 55.73 55.55 1qfu s ARG 13 Cb -0.12 -3.27 -0.14 0.00 -0.45 0.00 0.00 34.95 30.97 1qfu s ARG 13 CO 0.03 -0.22 1.22 -0.35 -0.68 0.00 0.00 175.30 175.30 1qfu n PRO 14 N 3.21 1.73 0.00 3.54 -0.04 -1.26 -2.08 135.00 140.10 1qfu n PRO 14 Ca 0.07 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1qfu n PRO 14 Cb 0.45 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1qfu n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qfu n GLY 15 N 1.50 3.22 0.00 0.55 0.00 -0.18 -4.92 105.19 105.35 1qfu n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1qfu n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfu n ALA 16 N -1.00 0.00 -2.60 4.61 0.00 -0.88 -3.35 120.51 117.28 1qfu n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1qfu n ALA 16 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1qfu n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qfu s SER 17 N -1.00 1.08 -0.06 0.00 1.04 -1.26 -1.01 113.70 112.50 1qfu s SER 17 Ca 0.00 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.75 1qfu s SER 17 Cb 0.00 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 1qfu s SER 17 CO 0.00 -0.28 -0.19 0.68 0.98 0.00 0.00 173.24 174.44 1qfu s VAL 18 N -2.16 1.59 -0.32 5.02 -7.23 -0.61 -4.96 120.40 111.73 1qfu s VAL 18 Ca -0.01 -0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 59.29 1qfu s VAL 18 Cb -0.05 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.53 1qfu s VAL 18 CO -0.01 0.45 0.13 -0.75 -0.31 0.00 0.00 175.10 174.62 1qfu s LYS 19 N 0.15 3.14 0.22 4.82 2.20 -1.26 -1.73 119.74 127.27 1qfu s LYS 19 Ca -0.08 -0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 54.57 1qfu s LYS 19 Cb -0.14 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 1qfu s LYS 19 CO 0.04 -0.48 0.57 -0.51 -0.36 0.00 0.00 175.35 174.60 1qfu s LEU 20 N 1.56 4.21 0.31 5.43 1.43 0.34 -4.91 118.68 127.04 1qfu s LEU 20 Ca 0.03 1.01 0.10 0.00 -1.03 0.00 0.00 54.13 54.24 1qfu s LEU 20 Cb -0.18 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 1qfu s LEU 20 CO 0.05 -0.04 -0.05 -0.94 0.23 0.00 0.00 176.35 175.60 1qfu s SER 21 N -2.16 4.08 -0.50 2.29 1.04 -1.26 -1.86 113.70 115.33 1qfu s SER 21 Ca 0.45 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 56.01 1qfu s SER 21 Cb -0.12 -0.53 0.19 0.00 0.10 0.00 0.00 66.02 65.65 1qfu s SER 21 CO 0.20 -0.12 0.66 0.00 0.98 0.00 0.00 173.24 174.97 1qfu s LYS 23 N 0.72 2.95 0.24 0.00 2.36 -0.88 -3.10 119.74 122.03 1qfu s LYS 23 Ca 0.31 1.48 -0.22 0.00 -2.55 0.00 0.00 55.97 54.98 1qfu s LYS 23 Cb 0.01 -4.34 -0.09 0.00 -1.05 0.00 0.00 37.83 32.36 1qfu s LYS 23 CO -0.08 -2.31 0.79 0.00 1.55 0.00 0.00 175.35 175.30 1qfu s ALA 24 N 8.56 3.37 0.15 3.13 0.00 -0.09 -1.39 121.76 135.47 1qfu s ALA 24 Ca 0.87 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 1qfu s ALA 24 Cb -0.23 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 19.98 1qfu s ALA 24 CO 0.31 0.28 0.45 -1.54 0.00 0.00 0.00 175.76 175.26 1qfu s SER 25 N -1.55 -0.27 0.00 0.00 1.04 0.44 -4.80 113.70 108.56 1qfu s SER 25 Ca 0.44 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1qfu s SER 25 Cb -0.18 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1qfu s SER 25 CO 0.23 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1qfu n GLY 26 N -0.27 3.30 2.76 7.32 0.00 -1.25 -1.07 105.19 115.98 1qfu n GLY 26 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1qfu n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1qfu n TYR 27 N -1.58 -1.07 -3.52 1.61 4.11 -1.26 -4.62 117.16 110.83 1qfu n TYR 27 Ca 0.00 -2.09 -0.42 0.00 -0.00 0.00 0.00 57.90 55.40 1qfu n TYR 27 Cb 0.00 0.39 -0.10 0.00 -0.00 0.00 0.00 39.34 39.62 1qfu n TYR 27 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1qfu s THR 28 N -2.88 4.99 0.08 -3.48 2.01 -1.26 -4.98 115.64 110.13 1qfu s THR 28 Ca 0.27 -0.70 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 1qfu s THR 28 Cb 0.00 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1qfu s THR 28 CO 0.19 -0.25 0.96 -0.11 -0.69 0.00 0.00 174.62 174.72 1qfu n LEU 29 N 5.09 -0.55 -0.33 4.42 0.00 -1.26 -0.80 117.00 123.58 1qfu n LEU 29 Ca -0.11 1.08 0.25 0.00 0.00 0.00 0.00 56.01 57.22 1qfu n LEU 29 Cb 0.47 -0.20 0.48 0.00 0.00 0.00 0.00 43.42 44.17 1qfu n LEU 29 CO 0.39 -0.83 1.09 0.74 0.00 0.00 0.00 177.39 178.77 1qfu h THR 30 N 0.00 0.23 0.00 1.96 2.02 -1.94 -2.33 112.91 112.85 1qfu h THR 30 Ca 0.08 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qfu h THR 30 Cb 0.21 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1qfu h THR 30 CO -0.49 0.04 -0.00 0.74 0.37 0.00 0.00 175.52 176.19 1qfu h THR 31 N 0.24 0.04 -4.15 3.16 2.02 -1.38 -3.36 112.91 109.48 1qfu h THR 31 Ca 0.74 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.76 1qfu h THR 31 Cb 1.75 1.04 -0.15 0.00 -1.74 0.00 0.00 68.15 69.05 1qfu h THR 31 CO -0.65 0.00 -0.60 -0.31 0.37 0.00 0.00 175.52 174.33 1qfu s TYR 32 N -4.14 0.46 0.92 3.16 2.02 -0.88 -4.99 117.35 113.90 1qfu s TYR 32 Ca -0.05 -0.96 -0.13 0.00 -0.37 0.00 0.00 57.07 55.56 1qfu s TYR 32 Cb 0.13 -0.31 0.14 0.00 -0.40 0.00 0.00 41.96 41.52 1qfu s TYR 32 CO 0.43 -0.44 1.17 -1.58 -1.57 0.00 0.00 175.55 173.56 1qfu s TRP 33 N -3.92 2.36 -0.00 2.71 0.51 -0.98 -4.41 118.94 115.22 1qfu s TRP 33 Ca 0.08 0.74 0.01 0.00 -2.12 0.00 0.00 56.10 54.81 1qfu s TRP 33 Cb 0.07 -3.51 -0.00 0.00 -0.81 0.00 0.00 33.47 29.23 1qfu s TRP 33 CO -0.09 -2.38 -0.02 1.41 -0.51 0.00 0.00 176.95 175.36 1qfu s MET 34 N -5.43 0.20 -0.03 4.98 1.75 -0.64 -0.39 119.30 119.73 1qfu s MET 34 Ca 0.65 -0.07 0.06 0.00 -1.25 0.00 0.00 55.69 55.08 1qfu s MET 34 Cb -0.12 -0.20 -0.01 0.00 2.84 0.00 0.00 34.83 37.33 1qfu s MET 34 CO 0.53 0.04 -0.21 -0.80 -0.65 0.00 0.00 175.02 173.93 1qfu s ASN 35 N 0.01 2.50 -0.08 1.11 0.02 -0.72 -1.42 114.94 116.35 1qfu s ASN 35 Ca 0.00 -0.40 -0.00 0.00 -1.02 0.00 0.00 52.86 51.44 1qfu s ASN 35 Cb -0.02 -0.47 -0.03 0.00 0.02 0.00 0.00 41.25 40.76 1qfu s ASN 35 CO -0.00 0.23 -0.05 0.26 0.02 0.00 0.00 177.10 177.55 1qfu s TRP 36 N -0.29 2.99 0.28 2.20 0.52 -0.94 0.20 118.94 123.90 1qfu s TRP 36 Ca 0.03 0.01 0.06 0.00 0.02 0.00 0.00 56.10 56.21 1qfu s TRP 36 Cb -0.10 -1.76 -0.06 0.00 -1.15 0.00 0.00 33.47 30.40 1qfu s TRP 36 CO 0.01 0.31 -0.03 -0.06 0.02 0.00 0.00 176.95 177.20 1qfu s PHE 37 N -0.66 1.88 -0.06 -1.98 0.08 0.20 -1.18 117.98 116.25 1qfu s PHE 37 Ca 0.10 -0.78 0.01 0.00 0.12 0.00 0.00 56.93 56.38 1qfu s PHE 37 Cb -0.11 -1.11 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 1qfu s PHE 37 CO 0.02 0.18 -0.07 0.21 -0.10 0.00 0.00 175.22 175.45 1qfu s LYS 38 N -3.78 1.20 -0.23 0.44 2.20 0.22 -1.38 119.74 118.41 1qfu s LYS 38 Ca 0.30 -0.22 -0.00 0.00 -0.36 0.00 0.00 55.97 55.69 1qfu s LYS 38 Cb 0.05 -1.12 0.03 0.00 -1.51 0.00 0.00 37.83 35.28 1qfu s LYS 38 CO 0.12 -0.07 -0.10 -1.14 -0.36 0.00 0.00 175.35 173.80 1qfu s GLN 39 N 0.94 2.75 0.47 4.03 0.74 0.02 0.07 119.66 128.68 1qfu s GLN 39 Ca -0.10 -1.02 -0.16 0.00 0.05 0.00 0.00 55.36 54.13 1qfu s GLN 39 Cb -0.15 -2.87 -0.08 0.00 1.10 0.00 0.00 33.01 31.02 1qfu s GLN 39 CO 0.00 -0.39 0.93 1.03 -0.55 0.00 0.00 175.29 176.31 1qfu s ARG 40 N 1.27 3.96 0.46 1.67 3.00 -0.34 -2.26 118.95 126.71 1qfu s ARG 40 Ca -0.01 0.87 0.23 0.00 0.00 0.00 0.00 55.73 56.83 1qfu s ARG 40 Cb -0.16 -2.20 1.24 0.00 0.00 0.00 0.00 34.95 33.82 1qfu s ARG 40 CO -0.07 -0.18 1.86 -1.00 0.00 0.00 0.00 175.30 175.92 1qfu h PRO 41 N 1.17 0.24 -0.56 3.54 0.13 -1.89 0.33 132.00 134.96 1qfu h PRO 41 Ca -0.47 -0.01 0.16 0.00 -0.87 0.00 0.00 66.00 64.81 1qfu h PRO 41 Cb 1.18 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1qfu h PRO 41 CO 0.62 0.16 0.40 0.38 -0.23 0.00 0.00 178.00 179.34 1qfu h ASP 42 N 0.25 0.00 0.00 1.44 2.03 -2.00 -3.45 116.42 114.69 1qfu h ASP 42 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 1qfu h ASP 42 Cb 1.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1qfu h ASP 42 CO -0.12 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.09 1qfu n GLN 43 N -4.35 0.00 -1.10 4.15 6.02 0.10 -5.12 117.38 117.08 1qfu n GLN 43 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 1qfu n GLN 43 Cb 0.64 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.84 1qfu n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qfu n GLY 44 N 0.00 -0.02 3.27 1.08 0.00 -1.25 -4.55 105.19 103.73 1qfu n GLY 44 Ca 0.00 0.60 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 1qfu n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qfu s LEU 45 N 1.09 4.24 -0.10 0.99 2.96 -1.26 -1.19 118.68 125.42 1qfu s LEU 45 Ca 0.66 -1.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1qfu s LEU 45 Cb -0.94 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1qfu s LEU 45 CO 0.47 -0.31 0.00 -1.61 -1.32 0.00 0.00 176.35 173.58 1qfu s GLU 46 N 1.40 3.08 -0.31 1.98 2.02 0.11 -4.94 118.70 122.04 1qfu s GLU 46 Ca -0.02 -0.41 -0.25 0.00 0.02 0.00 0.00 54.97 54.31 1qfu s GLU 46 Cb -0.19 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.22 1qfu s GLU 46 CO 0.02 0.65 0.87 -0.46 0.02 0.00 0.00 175.26 176.36 1qfu s TRP 47 N -0.73 3.18 0.00 1.61 -0.00 -1.26 -0.61 118.94 121.14 1qfu s TRP 47 Ca 0.11 0.91 -0.17 0.00 -0.00 0.00 0.00 56.10 56.95 1qfu s TRP 47 Cb -0.12 -3.36 -0.34 0.00 -0.00 0.00 0.00 33.47 29.65 1qfu s TRP 47 CO 0.02 -0.63 0.95 0.82 -0.00 0.00 0.00 176.95 178.11 1qfu h ILE 48 N 5.64 1.32 0.00 5.86 2.04 -1.48 -3.42 117.51 127.47 1qfu h ILE 48 Ca -0.23 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 62.98 1qfu h ILE 48 Cb 1.09 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 40.23 1qfu h ILE 48 CO 0.93 0.79 0.00 0.61 0.00 0.00 0.00 178.15 180.48 1qfu n GLY 49 N 1.71 -1.97 3.23 5.37 0.00 -1.23 -2.49 105.19 109.81 1qfu n GLY 49 Ca -0.17 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1qfu n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qfu s ARG 50 N -1.76 1.05 -0.09 1.61 3.52 0.64 -2.22 118.95 121.70 1qfu s ARG 50 Ca 0.00 -1.49 -0.11 0.00 -0.13 0.00 0.00 55.73 54.00 1qfu s ARG 50 Cb 0.00 -0.31 0.03 0.00 -1.56 0.00 0.00 34.95 33.11 1qfu s ARG 50 CO 0.00 -0.08 0.30 -1.50 -0.81 0.00 0.00 175.30 173.22 1qfu s ILE 51 N -3.60 0.01 -0.44 4.11 2.07 -0.51 -0.87 121.20 121.97 1qfu s ILE 51 Ca 0.21 -0.12 -0.10 0.00 -1.41 0.00 0.00 60.65 59.23 1qfu s ILE 51 Cb 0.05 -0.47 0.09 0.00 0.13 0.00 0.00 42.46 42.27 1qfu s ILE 51 CO 0.02 -0.06 0.30 -0.62 -1.91 0.00 0.00 174.94 172.67 1qfu s ASP 52 N -0.18 5.71 0.60 4.50 -1.08 -0.52 -1.63 116.67 124.08 1qfu s ASP 52 Ca -0.03 -1.62 0.29 0.00 -0.52 0.00 0.00 52.55 50.67 1qfu s ASP 52 Cb -0.03 -2.02 1.53 0.00 -1.46 0.00 0.00 42.92 40.94 1qfu s ASP 52 CO 0.01 -0.60 1.94 -0.65 0.52 0.00 0.00 175.17 176.39 1qfu h PRO 52 N 8.46 0.00 0.61 4.34 0.11 -1.84 0.61 132.00 144.29 1qfu h PRO 52 Ca -0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 1qfu h PRO 52 Cb 1.08 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1qfu h PRO 52 CO 0.81 0.00 -0.29 -0.92 -0.21 0.00 0.00 178.00 177.38 1qfu h TYR 53 N 0.00 -0.76 0.00 0.65 3.20 -1.89 -3.38 116.97 114.79 1qfu h TYR 53 Ca 0.16 -0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.79 1qfu h TYR 53 Cb 0.98 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 1qfu h TYR 53 CO 0.00 -0.45 -1.95 -0.40 -1.64 0.00 0.00 178.16 173.72 1qfu n ASP 54 N -5.42 1.45 0.00 -2.11 5.68 -1.12 -5.00 116.55 110.03 1qfu n ASP 54 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 1qfu n ASP 54 Cb 0.35 0.98 0.00 0.00 -1.14 0.00 0.00 41.12 41.30 1qfu n ASP 54 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1qfu n SER 55 N -2.46 -0.68 -4.57 -1.12 7.64 0.21 -5.03 113.62 107.61 1qfu n SER 55 Ca -0.20 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.27 1qfu n SER 55 Cb 0.89 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 1qfu n SER 55 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1qfu s GLU 56 N -0.95 3.12 0.33 1.43 -6.30 -1.20 -4.67 118.70 110.46 1qfu s GLU 56 Ca 0.00 0.71 0.01 0.00 -2.50 0.00 0.00 54.97 53.19 1qfu s GLU 56 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 34.13 29.88 1qfu s GLU 56 CO 0.00 -2.14 0.52 0.95 0.02 0.00 0.00 175.26 174.61 1qfu s THR 57 N 7.08 5.13 -0.25 -1.70 -4.23 -1.26 -1.44 115.64 118.97 1qfu s THR 57 Ca 0.62 -0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1qfu s THR 57 Cb -0.14 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 69.98 1qfu s THR 57 CO 0.26 -0.51 0.38 -2.28 -0.54 0.00 0.00 174.62 171.93 1qfu s HIS 58 N -2.25 -0.85 0.22 3.99 5.04 -0.05 -4.95 115.29 116.44 1qfu s HIS 58 Ca 0.39 0.76 -0.00 0.00 -1.54 0.00 0.00 55.06 54.67 1qfu s HIS 58 Cb -0.10 -0.00 -0.04 0.00 0.04 0.00 0.00 32.58 32.48 1qfu s HIS 58 CO 0.35 -0.76 0.41 0.71 -2.34 0.00 0.00 174.74 173.11 1qfu s TYR 59 N 2.55 3.48 0.13 3.88 1.51 -1.26 -0.26 117.35 127.37 1qfu s TYR 59 Ca 0.12 0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 56.21 1qfu s TYR 59 Cb -0.15 -1.85 -0.07 0.00 -0.11 0.00 0.00 41.96 39.78 1qfu s TYR 59 CO -0.18 0.35 1.15 1.21 -1.11 0.00 0.00 175.55 176.97 1qfu s ASN 60 N -3.28 7.17 0.37 2.29 3.04 -1.04 -4.89 114.94 118.60 1qfu s ASN 60 Ca 0.38 2.07 0.15 0.00 0.04 0.00 0.00 52.86 55.50 1qfu s ASN 60 Cb -0.11 -2.59 1.01 0.00 -1.54 0.00 0.00 41.25 38.02 1qfu s ASN 60 CO 0.30 -0.34 1.77 1.56 -3.04 0.00 0.00 177.10 177.34 1qfu h GLN 61 N 5.83 0.47 -0.24 0.43 4.20 -1.94 -0.89 115.11 122.97 1qfu h GLN 61 Ca -0.43 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.32 1qfu h GLN 61 Cb 1.21 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1qfu h GLN 61 CO 0.76 0.31 0.19 -0.22 -0.67 0.00 0.00 178.83 179.20 1qfu h LYS 62 N 0.48 0.00 -0.10 1.46 3.64 -1.95 -2.14 116.57 117.97 1qfu h LYS 62 Ca 0.60 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1qfu h LYS 62 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1qfu h LYS 62 CO -0.34 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.03 1qfu n PHE 63 N -4.29 0.12 -0.31 1.91 3.72 -0.37 -4.74 117.46 113.51 1qfu n PHE 63 Ca 0.03 -0.11 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1qfu n PHE 63 Cb 0.34 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 39.04 1qfu n PHE 63 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1qfu h LYS 64 N 2.40 0.02 -1.08 -1.08 3.64 -1.02 0.09 116.57 119.54 1qfu h LYS 64 Ca 0.00 -0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.88 1qfu h LYS 64 Cb 0.57 -0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.14 1qfu h LYS 64 CO 0.00 0.01 0.63 -0.25 -2.27 0.00 0.00 179.45 177.58 1qfu n ASP 65 N -5.51 5.37 0.05 4.20 8.00 -1.26 -4.50 116.55 122.90 1qfu n ASP 65 Ca 0.16 -3.44 0.00 0.00 0.71 0.00 0.00 54.79 52.22 1qfu n ASP 65 Cb 0.52 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1qfu n ASP 65 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1qfu n LYS 66 N -0.70 0.00 -3.15 -1.24 3.00 -0.07 -5.06 118.16 110.95 1qfu n LYS 66 Ca 0.51 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.43 1qfu n LYS 66 Cb 1.08 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 36.05 1qfu n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qfu s ALA 67 N -2.00 3.52 -0.28 3.14 0.00 -0.69 -3.83 121.76 121.62 1qfu s ALA 67 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 1qfu s ALA 67 Cb 0.00 -2.78 0.09 0.00 0.00 0.00 0.00 23.12 20.43 1qfu s ALA 67 CO 0.00 0.32 0.05 0.42 0.00 0.00 0.00 175.76 176.56 1qfu s ILE 68 N -0.98 1.11 -0.02 0.00 1.01 0.66 -4.84 121.20 118.13 1qfu s ILE 68 Ca 0.32 -1.35 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 1qfu s ILE 68 Cb -0.21 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1qfu s ILE 68 CO 0.22 -0.49 0.76 -0.76 0.00 0.00 0.00 174.94 174.67 1qfu s LEU 69 N 1.53 4.36 0.09 2.97 1.43 -1.26 -1.48 118.68 126.31 1qfu s LEU 69 Ca 0.05 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.37 1qfu s LEU 69 Cb -0.18 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1qfu s LEU 69 CO -0.17 -0.10 0.29 0.42 0.23 0.00 0.00 176.35 177.02 1qfu s THR 70 N 0.57 0.10 0.02 5.49 -4.23 -1.12 -4.97 115.64 111.51 1qfu s THR 70 Ca 0.40 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1qfu s THR 70 Cb -0.19 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.47 1qfu s THR 70 CO 0.21 -0.46 -0.04 0.68 -0.54 0.00 0.00 174.62 174.46 1qfu s VAL 71 N -3.45 0.25 -0.59 2.29 -7.23 -1.26 -0.02 120.40 110.39 1qfu s VAL 71 Ca 0.01 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1qfu s VAL 71 Cb 0.02 -0.36 0.15 0.00 0.56 0.00 0.00 36.38 36.75 1qfu s VAL 71 CO -0.09 -0.40 0.37 -0.62 -0.31 0.00 0.00 175.10 174.05 1qfu s ASP 72 N -1.35 4.83 0.55 4.85 2.15 -0.53 -4.96 116.67 122.21 1qfu s ASP 72 Ca -0.12 -2.99 0.32 0.00 0.43 0.00 0.00 52.55 50.18 1qfu s ASP 72 Cb -0.09 -1.75 1.48 0.00 -0.30 0.00 0.00 42.92 42.25 1qfu s ASP 72 CO -0.00 -0.29 1.84 0.03 -0.17 0.00 0.00 175.17 176.58 1qfu h ARG 73 N 6.70 0.00 -0.47 4.34 3.08 -1.90 -1.10 114.38 125.03 1qfu h ARG 73 Ca -0.03 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.10 1qfu h ARG 73 Cb 0.91 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.90 1qfu h ARG 73 CO 0.71 0.00 0.07 0.77 -1.07 0.00 0.00 179.97 180.45 1qfu h SER 74 N 0.00 -0.04 -0.28 7.04 0.02 -1.96 -3.04 113.55 115.29 1qfu h SER 74 Ca 0.42 0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 61.26 1qfu h SER 74 Cb 1.80 0.13 -0.15 0.00 0.14 0.00 0.00 62.40 64.32 1qfu h SER 74 CO -0.00 0.01 -0.54 -1.54 -1.14 0.00 0.00 176.83 173.61 1qfu n SER 75 N -5.13 2.87 -2.94 3.07 3.41 -0.45 -4.97 113.62 109.48 1qfu n SER 75 Ca 0.05 -3.85 -0.14 0.00 -0.26 0.00 0.00 58.87 54.67 1qfu n SER 75 Cb 0.23 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1qfu n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qfu n SER 76 N -0.99 -2.51 -4.23 4.04 7.64 -1.03 -4.81 113.62 111.74 1qfu n SER 76 Ca 0.29 -0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.80 1qfu n SER 76 Cb 0.81 -2.18 -0.13 0.00 -1.01 0.00 0.00 64.21 61.70 1qfu n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qfu s THR 77 N -2.54 3.34 0.73 0.44 2.01 -1.15 -0.92 115.64 117.56 1qfu s THR 77 Ca 0.20 -1.19 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 1qfu s THR 77 Cb -0.11 -2.87 0.04 0.00 0.01 0.00 0.00 72.50 69.57 1qfu s THR 77 CO 0.25 -0.08 1.11 0.00 -0.69 0.00 0.00 174.62 175.20 1qfu s ALA 78 N 1.34 2.86 0.19 7.40 0.00 -1.18 -1.45 121.76 130.91 1qfu s ALA 78 Ca -0.03 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 1qfu s ALA 78 Cb -0.19 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1qfu s ALA 78 CO 0.00 -1.29 0.35 0.71 0.00 0.00 0.00 175.76 175.53 1qfu s TYR 79 N -3.40 0.39 -0.22 0.00 1.51 0.97 -2.30 117.35 114.29 1qfu s TYR 79 Ca 0.59 -0.74 -0.08 0.00 -1.01 0.00 0.00 57.07 55.83 1qfu s TYR 79 Cb -0.11 0.02 0.09 0.00 -0.11 0.00 0.00 41.96 41.85 1qfu s TYR 79 CO 0.50 -0.81 0.48 1.41 -1.11 0.00 0.00 175.55 176.02 1qfu s MET 80 N -3.98 0.41 -0.14 -0.62 1.75 -0.78 -2.81 119.30 113.12 1qfu s MET 80 Ca 0.19 1.10 -0.06 0.00 -1.25 0.00 0.00 55.69 55.67 1qfu s MET 80 Cb 0.02 0.38 -0.04 0.00 2.84 0.00 0.00 34.83 38.03 1qfu s MET 80 CO 0.03 -0.22 0.06 -1.14 -0.65 0.00 0.00 175.02 173.10 1qfu s GLN 81 N 2.45 3.62 0.31 4.11 0.74 -0.55 -0.50 119.66 129.83 1qfu s GLN 81 Ca -0.04 -0.32 0.06 0.00 0.05 0.00 0.00 55.36 55.11 1qfu s GLN 81 Cb -0.11 -3.10 -0.06 0.00 1.10 0.00 0.00 33.01 30.84 1qfu s GLN 81 CO -0.14 0.48 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.55 1qfu s LEU 82 N -0.23 2.46 0.00 3.68 1.43 -0.70 -0.25 118.68 125.08 1qfu s LEU 82 Ca 0.08 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1qfu s LEU 82 Cb -0.12 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1qfu s LEU 82 CO 0.01 -0.42 0.00 -1.20 0.23 0.00 0.00 176.35 174.97 1qfu n SER 82 N -0.67 0.00 -4.79 2.29 7.64 -0.18 -1.57 113.62 116.35 1qfu n SER 82 Ca -0.04 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.50 1qfu n SER 82 Cb 0.65 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.84 1qfu n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qfu s LEU 82 N -0.56 3.72 0.23 -3.43 1.43 -0.73 -4.70 118.68 114.63 1qfu s LEU 82 Ca 0.00 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1qfu s LEU 82 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 1qfu s LEU 82 CO 0.00 -1.03 0.15 0.42 0.23 0.00 0.00 176.35 176.12 1qfu s THR 83 N -2.06 0.05 0.21 5.49 -4.23 -1.26 -1.02 115.64 112.83 1qfu s THR 83 Ca 0.68 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 1qfu s THR 83 Cb -0.18 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.41 1qfu s THR 83 CO 0.27 0.00 1.36 -1.20 -0.54 0.00 0.00 174.62 174.51 1qfu n SER 84 N -0.48 -0.49 0.09 3.99 7.64 -1.26 0.37 113.62 123.47 1qfu n SER 84 Ca 0.03 1.52 0.20 0.00 1.01 0.00 0.00 58.87 61.63 1qfu n SER 84 Cb 0.65 -0.38 0.75 0.00 -1.01 0.00 0.00 64.21 64.23 1qfu n SER 84 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1qfu h GLU 85 N 0.00 0.00 0.00 1.43 9.09 -1.96 -1.33 114.58 121.81 1qfu h GLU 85 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1qfu h GLU 85 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 1qfu h GLU 85 CO -0.88 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 177.93 1qfu n ASP 86 N -3.82 0.00 -4.62 3.06 8.00 0.16 -4.72 116.55 114.62 1qfu n ASP 86 Ca 0.07 -0.77 -0.43 0.00 0.71 0.00 0.00 54.79 54.37 1qfu n ASP 86 Cb 0.58 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1qfu n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1qfu s SER 87 N -2.11 6.76 0.23 -2.24 0.01 -0.50 -4.82 113.70 111.02 1qfu s SER 87 Ca 0.41 0.71 -0.16 0.00 1.31 0.00 0.00 55.95 58.21 1qfu s SER 87 Cb 0.20 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.95 1qfu s SER 87 CO 0.36 -1.08 0.81 0.00 0.41 0.00 0.00 173.24 173.74 1qfu n ALA 88 N 7.38 -2.02 -2.72 1.44 0.00 -1.17 -4.78 120.51 118.64 1qfu n ALA 88 Ca 0.12 -0.96 -0.35 0.00 0.00 0.00 0.00 53.44 52.24 1qfu n ALA 88 Cb 0.48 0.63 -0.09 0.00 0.00 0.00 0.00 19.45 20.47 1qfu n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qfu s VAL 89 N -2.17 5.29 -0.18 0.00 1.01 -0.96 -0.98 120.40 122.42 1qfu s VAL 89 Ca 0.17 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1qfu s VAL 89 Cb -0.03 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1qfu s VAL 89 CO 0.07 0.41 0.01 -0.31 0.00 0.00 0.00 175.10 175.27 1qfu s TYR 90 N 0.63 3.11 0.01 5.22 2.02 0.79 -0.80 117.35 128.33 1qfu s TYR 90 Ca 0.07 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 1qfu s TYR 90 Cb -0.12 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 1qfu s TYR 90 CO 0.01 -0.02 -0.16 0.71 -1.57 0.00 0.00 175.55 174.52 1qfu s TYR 91 N 0.52 2.63 0.14 2.71 2.02 -0.48 -1.67 117.35 123.21 1qfu s TYR 91 Ca -0.00 -0.21 0.09 0.00 -0.37 0.00 0.00 57.07 56.58 1qfu s TYR 91 Cb -0.14 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1qfu s TYR 91 CO 0.02 0.24 -0.17 0.00 -1.57 0.00 0.00 175.55 174.07 1qfu s THR 93 N -1.33 0.15 -0.55 0.00 -4.23 0.13 -1.78 115.64 108.04 1qfu s THR 93 Ca 0.20 -1.26 -0.23 0.00 -1.18 0.00 0.00 61.69 59.22 1qfu s THR 93 Cb -0.10 -1.23 0.05 0.00 1.34 0.00 0.00 72.50 72.55 1qfu s THR 93 CO 0.11 -0.70 0.89 -0.60 -0.54 0.00 0.00 174.62 173.79 1qfu s ARG 94 N -3.46 3.28 -0.57 3.99 3.52 -1.02 -1.76 118.95 122.94 1qfu s ARG 94 Ca 0.02 -0.41 -0.22 0.00 -0.13 0.00 0.00 55.73 55.00 1qfu s ARG 94 Cb 0.04 -4.07 0.06 0.00 -1.56 0.00 0.00 34.95 29.41 1qfu s ARG 94 CO -0.09 -1.46 0.83 0.12 -0.81 0.00 0.00 175.30 173.89 1qfu s PHE 95 N 3.74 2.86 -0.43 5.12 5.36 0.47 -2.72 117.98 132.39 1qfu s PHE 95 Ca 0.27 -0.40 -0.29 0.00 -0.96 0.00 0.00 56.93 55.55 1qfu s PHE 95 Cb -0.14 -3.96 0.02 0.00 -0.34 0.00 0.00 43.02 38.60 1qfu s PHE 95 CO 0.17 -1.32 1.30 -0.51 -1.46 0.00 0.00 175.22 173.40 1qfu s LEU 96 N 3.44 3.63 1.02 6.12 1.43 -0.26 -2.31 118.68 131.75 1qfu s LEU 96 Ca 0.22 0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 53.88 1qfu s LEU 96 Cb -0.17 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.55 1qfu s LEU 96 CO 0.13 -1.34 0.10 0.00 0.23 0.00 0.00 176.35 175.48 1qfu n GLN 97 N 7.92 -0.72 0.15 1.70 0.00 -1.26 -2.47 117.38 122.70 1qfu n GLN 97 Ca 0.15 -0.18 0.07 0.00 0.00 0.00 0.00 57.00 57.03 1qfu n GLN 97 Cb 0.48 -1.71 0.37 0.00 0.00 0.00 0.00 30.24 29.39 1qfu n GLN 97 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1qfu n ILE 98 N -3.80 0.76 1.58 -0.39 3.06 -1.26 -1.09 119.36 118.21 1qfu n ILE 98 Ca 0.04 0.72 0.15 0.00 -2.50 0.00 0.00 62.75 61.15 1qfu n ILE 98 Cb 0.58 -1.72 0.66 0.00 0.54 0.00 0.00 39.64 39.69 1qfu n ILE 98 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1qfu n THR 99 N -2.03 0.00 0.00 9.51 -2.24 -1.26 -4.92 114.28 113.34 1qfu n THR 99 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1qfu n THR 99 Cb 0.25 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1qfu n THR 99 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qfu n THR 100 N -0.60 0.00 0.00 4.28 -2.24 -0.25 -5.08 114.28 110.39 1qfu n THR 100 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1qfu n THR 100 Cb 0.26 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1qfu n THR 100 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1qfu n ILE 100 N 0.00 0.00 -3.03 2.28 5.41 -1.26 -5.02 119.36 117.74 1qfu n ILE 100 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1qfu n ILE 100 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.94 1qfu n ILE 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qfu n TYR 100 N 0.00 -3.23 0.00 1.39 9.36 -1.20 -5.01 117.16 118.46 1qfu n TYR 100 Ca 0.00 1.30 0.00 0.00 3.32 0.00 0.00 57.90 62.52 1qfu n TYR 100 Cb 0.00 -3.65 0.00 0.00 -0.63 0.00 0.00 39.34 35.06 1qfu n TYR 100 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qfu n GLY 100 N -0.54 -0.76 3.70 2.98 0.00 -1.03 -4.95 105.19 104.59 1qfu n GLY 100 Ca 0.05 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 1qfu n GLY 100 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1qfu s MET 100 N -2.00 4.20 -0.25 1.61 0.23 -1.26 -1.10 119.30 120.73 1qfu s MET 100 Ca 0.00 0.01 -0.00 0.00 -1.03 0.00 0.00 55.69 54.67 1qfu s MET 100 Cb 0.00 -3.47 -0.17 0.00 -1.53 0.00 0.00 34.83 29.66 1qfu s MET 100 CO 0.00 0.15 -0.21 -0.40 -2.03 0.00 0.00 175.02 172.54 1qfu n ASP 101 N 3.89 1.99 -4.47 -1.18 5.75 -1.10 -4.94 116.55 116.48 1qfu n ASP 101 Ca -0.12 -0.07 -0.33 0.00 -0.01 0.00 0.00 54.79 54.25 1qfu n ASP 101 Cb 0.52 -0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 40.00 1qfu n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1qfu s TYR 102 N -2.52 2.97 0.12 2.11 1.51 -1.26 -5.03 117.35 115.25 1qfu s TYR 102 Ca -0.35 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.40 1qfu s TYR 102 Cb 0.09 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1qfu s TYR 102 CO 0.60 -0.06 -0.01 -1.58 -1.11 0.00 0.00 175.55 173.38 1qfu s TRP 103 N 0.31 2.91 0.85 2.71 0.52 -1.26 -2.43 118.94 122.55 1qfu s TRP 103 Ca -0.05 -0.08 -0.12 0.00 0.02 0.00 0.00 56.10 55.87 1qfu s TRP 103 Cb -0.14 -1.48 0.10 0.00 -1.15 0.00 0.00 33.47 30.80 1qfu s TRP 103 CO 0.04 0.48 1.17 0.20 0.02 0.00 0.00 176.95 178.85 1qfu s GLY 104 N -2.49 1.59 0.10 0.98 0.00 -0.73 -4.70 107.32 102.06 1qfu s GLY 104 Ca 0.26 -0.61 0.18 0.00 0.00 0.00 0.00 44.72 44.55 1qfu s GLY 104 CO 0.18 -0.09 1.56 0.61 0.00 0.00 0.00 173.10 175.36 1qfu n GLN 105 N -3.49 0.07 0.00 2.90 10.64 -1.23 -4.82 117.38 121.45 1qfu n GLN 105 Ca 0.08 0.31 0.00 0.00 -1.83 0.00 0.00 57.00 55.56 1qfu n GLN 105 Cb 0.60 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 1qfu n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1qfu n GLY 106 N 0.03 -0.27 2.90 2.61 0.00 -1.26 -4.97 105.19 104.24 1qfu n GLY 106 Ca 0.03 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 1qfu n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfu s THR 107 N -3.00 0.13 -0.31 2.61 2.01 -0.67 -3.18 115.64 113.23 1qfu s THR 107 Ca 0.00 -0.14 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1qfu s THR 107 Cb 0.00 -0.13 -0.00 0.00 0.01 0.00 0.00 72.50 72.38 1qfu s THR 107 CO 0.00 -0.01 0.14 -0.44 -0.69 0.00 0.00 174.62 173.62 1qfu s SER 108 N -0.16 5.46 -0.52 3.53 0.01 0.78 -0.15 113.70 122.66 1qfu s SER 108 Ca -0.01 -0.57 -0.17 0.00 1.31 0.00 0.00 55.95 56.52 1qfu s SER 108 Cb -0.01 -1.98 0.09 0.00 0.21 0.00 0.00 66.02 64.33 1qfu s SER 108 CO -0.00 -0.20 0.51 -0.69 0.41 0.00 0.00 173.24 173.28 1qfu s VAL 109 N 1.59 5.10 -0.44 3.43 1.01 -0.15 0.28 120.40 131.22 1qfu s VAL 109 Ca 0.04 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 1qfu s VAL 109 Cb -0.17 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 31.96 1qfu s VAL 109 CO 0.05 -0.79 0.62 -0.89 0.00 0.00 0.00 175.10 174.09 1qfu s THR 110 N 1.97 4.86 -0.56 3.92 2.01 0.99 -3.02 115.64 125.81 1qfu s THR 110 Ca 0.07 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 1qfu s THR 110 Cb -0.25 -4.19 0.07 0.00 0.01 0.00 0.00 72.50 68.13 1qfu s THR 110 CO 0.06 -0.59 0.77 -0.69 -0.69 0.00 0.00 174.62 173.48 1qfu s VAL 111 N 2.73 4.66 -0.00 3.82 1.01 -1.26 -0.71 120.40 130.66 1qfu s VAL 111 Ca 0.21 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1qfu s VAL 111 Cb -0.15 -4.46 0.06 0.00 0.00 0.00 0.00 36.38 31.83 1qfu s VAL 111 CO 0.18 -1.07 0.59 -0.55 0.00 0.00 0.00 175.10 174.25 1qfu s SER 112 N 3.13 -0.54 0.00 3.32 0.15 -0.50 -4.70 113.70 114.55 1qfu s SER 112 Ca 0.18 0.45 0.25 0.00 0.70 0.00 0.00 55.95 57.53 1qfu s SER 112 Cb -0.19 0.51 0.47 0.00 -1.71 0.00 0.00 66.02 65.11 1qfu s SER 112 CO 0.12 -0.65 1.42 -1.54 1.20 0.00 0.00 173.24 173.79 1qfu n SER 113 N 0.71 2.56 -4.77 5.45 3.41 -1.26 -4.03 113.62 115.69 1qfu n SER 113 Ca -0.19 -1.85 -0.40 0.00 -0.26 0.00 0.00 58.87 56.17 1qfu n SER 113 Cb 0.58 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1qfu n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qfu s ALA 114 N -1.95 3.35 0.69 7.33 0.00 -1.26 -5.00 121.76 124.92 1qfu s ALA 114 Ca 0.32 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 1qfu s ALA 114 Cb 0.20 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1qfu s ALA 114 CO 0.31 -0.73 1.08 0.15 0.00 0.00 0.00 175.76 176.57 1qfu s LYS 115 N -2.06 2.78 -0.42 0.00 1.02 -1.26 -4.98 119.74 114.83 1qfu s LYS 115 Ca 0.54 1.19 -0.27 0.00 0.02 0.00 0.00 55.97 57.45 1qfu s LYS 115 Cb -0.38 -1.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 1qfu s LYS 115 CO 0.50 -1.24 0.99 0.99 -0.92 0.00 0.00 175.35 175.67 1qfu s THR 116 N -2.69 4.46 -0.08 2.17 2.01 -1.26 -4.67 115.64 115.58 1qfu s THR 116 Ca 0.63 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.77 1qfu s THR 116 Cb -0.17 -4.43 -0.02 0.00 0.01 0.00 0.00 72.50 67.89 1qfu s THR 116 CO 0.48 -0.73 -0.15 -0.89 -0.69 0.00 0.00 174.62 172.64 1qfu s THR 117 N 3.79 2.98 0.56 -0.82 2.01 -0.41 -4.92 115.64 118.84 1qfu s THR 117 Ca 0.41 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 1qfu s THR 117 Cb -0.10 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 1qfu s THR 117 CO 0.24 0.56 1.09 -2.84 -0.69 0.00 0.00 174.62 172.98 1qfu s PRO 118 N -0.29 3.34 0.66 4.92 0.02 -1.26 -0.87 135.00 141.52 1qfu s PRO 118 Ca 0.02 1.42 -0.11 0.00 0.02 0.00 0.00 61.00 62.36 1qfu s PRO 118 Cb -0.13 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 1qfu s PRO 118 CO 0.03 -0.82 1.04 -1.25 -0.33 0.00 0.00 177.00 175.67 1qfu s PRO 119 N -3.60 3.28 -0.27 5.54 0.04 -1.26 -4.29 135.00 134.43 1qfu s PRO 119 Ca 0.68 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 1qfu s PRO 119 Cb -0.20 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1qfu s PRO 119 CO 0.30 -0.82 0.02 0.45 0.04 0.00 0.00 177.00 176.99 1qfu s SER 120 N -4.00 4.76 -0.52 6.66 0.15 0.78 -4.94 113.70 116.58 1qfu s SER 120 Ca 0.56 -0.76 -0.13 0.00 0.70 0.00 0.00 55.95 56.33 1qfu s SER 120 Cb -0.12 -1.79 0.13 0.00 -1.71 0.00 0.00 66.02 62.53 1qfu s SER 120 CO 0.54 -0.16 0.44 -0.69 1.20 0.00 0.00 173.24 174.58 1qfu s VAL 121 N 1.43 4.74 -0.29 4.45 1.01 -1.26 0.07 120.40 130.56 1qfu s VAL 121 Ca 0.02 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.18 1qfu s VAL 121 Cb -0.17 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1qfu s VAL 121 CO -0.01 -0.83 0.31 -0.31 0.00 0.00 0.00 175.10 174.26 1qfu s TYR 122 N 1.42 3.23 0.55 5.22 2.02 0.73 -4.94 117.35 125.57 1qfu s TYR 122 Ca 0.05 0.23 -0.20 0.00 -0.37 0.00 0.00 57.07 56.78 1qfu s TYR 122 Cb -0.27 -2.52 -0.05 0.00 -0.40 0.00 0.00 41.96 38.71 1qfu s TYR 122 CO 0.01 -0.24 1.16 -1.25 -1.57 0.00 0.00 175.55 173.66 1qfu s PRO 123 N 1.95 3.29 -0.18 -1.71 0.04 -1.26 -0.46 135.00 136.67 1qfu s PRO 123 Ca 0.12 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1qfu s PRO 123 Cb -0.16 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1qfu s PRO 123 CO 0.11 -0.92 -0.04 -0.51 0.04 0.00 0.00 177.00 175.68 1qfu s LEU 124 N -3.79 1.65 0.08 -3.56 1.02 -1.16 -4.82 118.68 108.10 1qfu s LEU 124 Ca 0.73 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 54.16 1qfu s LEU 124 Cb -0.26 -0.89 -0.03 0.00 0.02 0.00 0.00 46.19 45.02 1qfu s LEU 124 CO 0.30 -0.21 -0.07 0.00 0.02 0.00 0.00 176.35 176.38 1qfu s ALA 125 N 1.64 0.83 0.62 4.21 0.00 -1.26 -0.01 121.76 127.79 1qfu s ALA 125 Ca -0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 1qfu s ALA 125 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1qfu s ALA 125 CO -0.07 -0.14 1.09 -2.14 0.00 0.00 0.00 175.76 174.50 1qfu s PRO 126 N -2.88 3.05 0.00 0.00 0.02 -1.26 -4.89 135.00 129.04 1qfu s PRO 126 Ca 0.03 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.39 1qfu s PRO 126 Cb -0.01 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1qfu s PRO 126 CO -0.02 -1.04 0.00 0.41 -0.33 0.00 0.00 177.00 176.01 1qfu n GLY 127 N -0.62 3.36 2.49 0.52 0.00 -1.26 -1.14 105.19 108.54 1qfu n GLY 127 Ca 0.10 -0.46 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 1qfu n GLY 127 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qfu n SER 128 N 0.00 0.62 -2.34 1.61 7.64 -1.26 -2.19 113.62 117.71 1qfu n SER 128 Ca 0.00 0.58 -0.01 0.00 1.01 0.00 0.00 58.87 60.45 1qfu n SER 128 Cb 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1qfu n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qfu n ALA 129 N 5.10 -2.29 -0.92 -0.43 0.00 -1.26 -4.80 120.51 115.92 1qfu n ALA 129 Ca 0.38 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.57 1qfu n ALA 129 Cb -0.03 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.18 1qfu n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qfu n ALA 130 N -1.18 0.16 0.25 0.00 0.00 -0.93 -4.78 120.51 114.04 1qfu n ALA 130 Ca 0.02 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 1qfu n ALA 130 Cb 0.44 -1.50 0.05 0.00 0.00 0.00 0.00 19.45 18.45 1qfu n ALA 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qfu n GLN 131 N 5.44 1.39 -2.25 0.00 6.02 -1.26 -4.58 117.38 122.13 1qfu n GLN 131 Ca 0.40 -0.93 -0.41 0.00 -0.01 0.00 0.00 57.00 56.05 1qfu n GLN 131 Cb -0.02 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1qfu n GLN 131 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1qfu n THR 132 N 0.04 5.13 0.00 5.09 -1.04 -1.26 -4.60 114.28 117.63 1qfu n THR 132 Ca 0.19 -4.70 0.00 0.00 -2.04 0.00 0.00 64.05 57.50 1qfu n THR 132 Cb 0.84 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1qfu n THR 132 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1qfu n ASN 133 N 2.02 0.00 0.17 8.00 2.04 -1.26 -4.84 115.26 121.39 1qfu n ASN 133 Ca 0.51 0.00 0.14 0.00 -0.44 0.00 0.00 54.58 54.79 1qfu n ASN 133 Cb 0.29 0.00 0.47 0.00 -2.53 0.00 0.00 39.78 38.01 1qfu n ASN 133 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1qfu h SER 134 N 0.00 0.00 -5.08 0.53 4.64 -2.00 -3.43 113.55 108.21 1qfu h SER 134 Ca 0.00 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.60 1qfu h SER 134 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 1qfu h SER 134 CO 0.00 0.00 0.78 -0.32 -0.87 0.00 0.00 176.83 176.42 1qfu s MET 135 N -3.33 0.44 -0.06 4.77 -2.45 -1.26 -4.66 119.30 112.74 1qfu s MET 135 Ca 0.05 -0.21 0.02 0.00 -1.25 0.00 0.00 55.69 54.30 1qfu s MET 135 Cb 0.09 0.17 0.01 0.00 1.25 0.00 0.00 34.83 36.35 1qfu s MET 135 CO 0.52 -0.20 -0.13 0.08 1.05 0.00 0.00 175.02 176.34 1qfu s VAL 136 N -2.52 1.18 -0.34 10.11 1.01 0.69 -4.54 120.40 125.97 1qfu s VAL 136 Ca 0.12 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1qfu s VAL 136 Cb 0.02 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1qfu s VAL 136 CO -0.04 0.36 0.21 -0.89 0.00 0.00 0.00 175.10 174.74 1qfu s THR 137 N 0.61 4.87 -0.09 3.92 2.01 -1.26 -0.01 115.64 125.70 1qfu s THR 137 Ca -0.14 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1qfu s THR 137 Cb -0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1qfu s THR 137 CO 0.04 -0.06 0.07 -0.76 -0.69 0.00 0.00 174.62 173.22 1qfu s LEU 138 N 1.64 3.98 0.00 4.42 1.43 -0.48 -4.69 118.68 124.97 1qfu s LEU 138 Ca 0.05 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1qfu s LEU 138 Cb -0.18 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1qfu s LEU 138 CO 0.08 0.37 0.11 0.61 0.23 0.00 0.00 176.35 177.76 1qfu n GLY 139 N 1.92 3.16 3.32 -3.19 0.00 0.98 -2.43 105.19 108.94 1qfu n GLY 139 Ca -0.18 -2.23 0.02 0.00 0.00 0.00 0.00 46.02 43.64 1qfu n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfu s LEU 141 N 2.35 3.92 -0.47 0.00 1.98 0.39 -2.12 118.68 124.73 1qfu s LEU 141 Ca -0.01 -0.78 -0.17 0.00 -2.89 0.00 0.00 54.13 50.28 1qfu s LEU 141 Cb -0.05 -1.88 0.06 0.00 0.66 0.00 0.00 46.19 44.99 1qfu s LEU 141 CO -0.17 -0.21 0.46 -0.69 -1.89 0.00 0.00 176.35 173.85 1qfu s VAL 142 N 1.48 5.12 0.01 1.68 1.01 0.13 -0.20 120.40 129.64 1qfu s VAL 142 Ca 0.02 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.30 1qfu s VAL 142 Cb -0.18 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1qfu s VAL 142 CO 0.02 -0.60 -0.24 -0.75 0.00 0.00 0.00 175.10 173.54 1qfu s LYS 143 N 1.98 1.80 -0.88 2.72 2.20 0.11 -0.42 119.74 127.27 1qfu s LYS 143 Ca 0.08 -0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 54.72 1qfu s LYS 143 Cb -0.21 -1.83 -0.02 0.00 -1.51 0.00 0.00 37.83 34.25 1qfu s LYS 143 CO 0.09 0.49 0.77 0.41 -0.36 0.00 0.00 175.35 176.75 1qfu n GLY 144 N 2.21 -1.20 3.33 5.54 0.00 -0.65 -0.16 105.19 114.26 1qfu n GLY 144 Ca -0.16 0.51 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 1qfu n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qfu s TYR 145 N -3.16 1.55 -0.28 1.61 1.13 -1.11 -4.40 117.35 112.69 1qfu s TYR 145 Ca 0.18 -0.91 -0.25 0.00 -1.41 0.00 0.00 57.07 54.68 1qfu s TYR 145 Cb -0.03 -0.89 0.10 0.00 -1.10 0.00 0.00 41.96 40.04 1qfu s TYR 145 CO 0.77 -0.03 0.90 0.12 -2.51 0.00 0.00 175.55 174.80 1qfu s PHE 146 N -3.41 -0.61 0.64 -3.49 2.19 -0.05 -0.98 117.98 112.27 1qfu s PHE 146 Ca 0.28 1.47 0.07 0.00 0.33 0.00 0.00 56.93 59.08 1qfu s PHE 146 Cb 0.05 0.33 0.11 0.00 -1.31 0.00 0.00 43.02 42.21 1qfu s PHE 146 CO 0.08 -0.29 0.88 -1.25 1.83 0.00 0.00 175.22 176.47 1qfu s PRO 147 N 0.35 2.04 0.82 10.12 0.04 -1.26 -1.28 135.00 145.82 1qfu s PRO 147 Ca 0.01 -1.59 -0.12 0.00 0.04 0.00 0.00 61.00 59.34 1qfu s PRO 147 Cb -0.05 -2.55 0.09 0.00 0.04 0.00 0.00 34.50 32.03 1qfu s PRO 147 CO -0.04 -1.12 1.16 -1.21 0.04 0.00 0.00 177.00 175.84 1qfu s GLU 148 N -4.84 1.66 0.40 4.56 0.41 -1.26 -4.76 118.70 114.86 1qfu s GLU 148 Ca 0.64 1.59 0.08 0.00 -0.41 0.00 0.00 54.97 56.86 1qfu s GLU 148 Cb -0.05 -1.80 -0.05 0.00 -1.78 0.00 0.00 34.13 30.46 1qfu s GLU 148 CO 0.41 -2.16 0.20 -1.25 -0.49 0.00 0.00 175.26 171.97 1qfu s PRO 149 N -4.38 2.30 0.30 0.39 0.04 -1.26 -4.98 135.00 127.41 1qfu s PRO 149 Ca 0.69 -1.73 0.07 0.00 0.04 0.00 0.00 61.00 60.07 1qfu s PRO 149 Cb -0.25 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 1qfu s PRO 149 CO 0.52 -0.07 -0.04 0.14 0.04 0.00 0.00 177.00 177.59 1qfu s VAL 150 N -2.54 1.65 -0.28 -0.36 -7.23 -1.26 -4.44 120.40 105.94 1qfu s VAL 150 Ca 0.41 -2.11 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1qfu s VAL 150 Cb 0.01 -2.53 0.09 0.00 0.56 0.00 0.00 36.38 34.51 1qfu s VAL 150 CO 0.23 -0.25 0.07 -0.89 -0.31 0.00 0.00 175.10 173.95 1qfu s THR 151 N -3.00 1.00 -0.02 5.32 2.01 -0.52 -4.89 115.64 115.54 1qfu s THR 151 Ca 0.31 -1.31 -0.24 0.00 0.31 0.00 0.00 61.69 60.76 1qfu s THR 151 Cb 0.04 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1qfu s THR 151 CO 0.13 -0.52 0.73 -0.69 -0.69 0.00 0.00 174.62 173.57 1qfu s VAL 152 N 1.58 4.92 -0.10 3.82 1.01 -1.26 -2.13 120.40 128.24 1qfu s VAL 152 Ca 0.06 1.52 -0.08 0.00 0.00 0.00 0.00 61.98 63.49 1qfu s VAL 152 Cb -0.18 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1qfu s VAL 152 CO -0.19 0.30 0.25 0.28 0.00 0.00 0.00 175.10 175.74 1qfu s THR 153 N 0.45 -0.01 -0.07 3.92 -1.32 -0.18 -4.98 115.64 113.44 1qfu s THR 153 Ca 0.38 0.05 -0.11 0.00 -1.21 0.00 0.00 61.69 60.81 1qfu s THR 153 Cb -0.19 -0.37 -0.05 0.00 -1.51 0.00 0.00 72.50 70.38 1qfu s THR 153 CO 0.20 0.02 0.27 0.26 -2.21 0.00 0.00 174.62 173.16 1qfu s TRP 154 N 0.56 3.64 -1.59 9.09 0.52 -1.26 0.49 118.94 130.39 1qfu s TRP 154 Ca -0.04 0.73 -0.06 0.00 0.02 0.00 0.00 56.10 56.75 1qfu s TRP 154 Cb -0.05 -2.13 0.06 0.00 -1.15 0.00 0.00 33.47 30.20 1qfu s TRP 154 CO -0.03 0.65 0.30 0.09 0.02 0.00 0.00 176.95 177.98 1qfu n ASN 155 N 2.07 -0.35 -2.55 2.95 4.13 0.78 0.19 115.26 122.49 1qfu n ASN 155 Ca -0.17 -1.17 -0.19 0.00 1.68 0.00 0.00 54.58 54.73 1qfu n ASN 155 Cb 0.54 -2.10 -0.00 0.00 -1.54 0.00 0.00 39.78 36.68 1qfu n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qfu n SER 156 N -2.81 -5.22 0.00 6.41 7.64 -1.26 -1.92 113.62 116.46 1qfu n SER 156 Ca -0.20 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1qfu n SER 156 Cb 0.63 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 1qfu n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qfu n GLY 157 N -1.03 3.09 0.14 0.23 0.00 0.13 -4.90 105.19 102.85 1qfu n GLY 157 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1qfu n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qfu h SER 158 N 0.00 -0.01 0.00 1.61 0.02 -1.41 -2.89 113.55 110.87 1qfu h SER 158 Ca 0.00 0.05 -0.66 0.00 -0.84 0.00 0.00 61.79 60.35 1qfu h SER 158 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1qfu h SER 158 CO 0.00 0.03 3.30 -0.11 -1.14 0.00 0.00 176.83 178.91 1qfu n LEU 159 N -5.10 7.18 0.06 5.07 7.94 -1.21 -4.55 117.00 126.39 1qfu n LEU 159 Ca 0.00 -3.99 -0.21 0.00 -1.11 0.00 0.00 56.01 50.70 1qfu n LEU 159 Cb 0.14 -1.52 -0.15 0.00 0.53 0.00 0.00 43.42 42.43 1qfu n LEU 159 CO 0.25 1.31 -0.51 -1.28 -1.11 0.00 0.00 177.39 176.05 1qfu h SER 160 N 5.81 0.51 0.00 1.96 0.87 -1.77 -3.42 113.55 117.51 1qfu h SER 160 Ca 0.67 -0.80 -0.08 0.00 -1.23 0.00 0.00 61.79 60.35 1qfu h SER 160 Cb 0.45 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1qfu h SER 160 CO 1.81 1.68 -0.07 -1.20 -0.53 0.00 0.00 176.83 178.52 1qfu n SER 161 N -3.52 3.62 0.00 6.23 7.64 -1.26 -3.92 113.62 122.40 1qfu n SER 161 Ca -0.23 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1qfu n SER 161 Cb 1.06 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1qfu n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qfu n GLY 162 N 2.30 0.00 3.83 0.23 0.00 -1.26 -4.97 105.19 105.31 1qfu n GLY 162 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1qfu n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfu s VAL 163 N 0.00 4.67 -0.27 1.61 0.11 -1.25 -1.77 120.40 123.50 1qfu s VAL 163 Ca 0.00 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1qfu s VAL 163 Cb 0.00 -3.37 0.09 0.00 -1.53 0.00 0.00 36.38 31.57 1qfu s VAL 163 CO 0.00 -0.07 0.13 -1.00 -3.33 0.00 0.00 175.10 170.83 1qfu s HIS 164 N -1.70 0.27 -0.15 1.54 3.76 -1.11 -4.92 115.29 112.98 1qfu s HIS 164 Ca 0.32 -0.76 -0.18 0.00 -0.15 0.00 0.00 55.06 54.28 1qfu s HIS 164 Cb -0.11 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.69 1qfu s HIS 164 CO 0.24 -0.78 0.48 0.99 -0.85 0.00 0.00 174.74 174.82 1qfu s THR 165 N 2.11 5.17 0.22 1.30 2.01 -1.26 -0.76 115.64 124.43 1qfu s THR 165 Ca 0.08 0.92 -0.06 0.00 0.31 0.00 0.00 61.69 62.94 1qfu s THR 165 Cb -0.16 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 1qfu s THR 165 CO -0.32 0.28 0.48 -0.36 -0.69 0.00 0.00 174.62 174.01 1qfu s PHE 166 N 0.96 3.46 0.43 4.92 0.40 0.12 -4.96 117.98 123.31 1qfu s PHE 166 Ca 0.24 0.67 -0.25 0.00 -0.60 0.00 0.00 56.93 56.99 1qfu s PHE 166 Cb -0.15 -2.11 -0.09 0.00 0.51 0.00 0.00 43.02 41.18 1qfu s PHE 166 CO 0.10 0.30 1.28 -2.30 0.70 0.00 0.00 175.22 175.29 1qfu n PRO 167 N -0.33 1.91 -1.56 0.24 -0.02 -1.26 -4.33 135.00 129.66 1qfu n PRO 167 Ca -0.01 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 1qfu n PRO 167 Cb 0.53 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.66 1qfu n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qfu s ALA 168 N -1.21 2.65 -0.03 3.55 0.00 -1.26 -4.79 121.76 120.67 1qfu s ALA 168 Ca 0.62 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1qfu s ALA 168 Cb -0.50 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1qfu s ALA 168 CO 0.57 -1.25 0.00 0.54 0.00 0.00 0.00 175.76 175.63 1qfu s VAL 169 N -3.00 0.15 0.34 0.00 0.11 -0.14 -4.92 120.40 112.94 1qfu s VAL 169 Ca 0.59 0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 59.47 1qfu s VAL 169 Cb -0.14 -0.26 -0.09 0.00 -1.53 0.00 0.00 36.38 34.36 1qfu s VAL 169 CO 0.54 0.14 1.09 -0.22 -3.33 0.00 0.00 175.10 173.33 1qfu s LEU 170 N 1.06 4.36 -0.30 2.54 0.20 -1.26 -2.14 118.68 123.14 1qfu s LEU 170 Ca -0.09 2.20 -0.02 0.00 0.69 0.00 0.00 54.13 56.92 1qfu s LEU 170 Cb -0.13 -3.87 0.19 0.00 -0.43 0.00 0.00 46.19 41.94 1qfu s LEU 170 CO -0.02 -0.34 0.72 -1.58 -0.29 0.00 0.00 176.35 174.84 1qfu s GLN 171 N -1.93 0.46 -0.82 1.98 0.74 0.26 -4.94 119.66 115.41 1qfu s GLN 171 Ca 0.51 0.65 -0.04 0.00 0.05 0.00 0.00 55.36 56.53 1qfu s GLN 171 Cb -0.28 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.17 1qfu s GLN 171 CO 0.36 -0.66 0.49 -1.13 -0.55 0.00 0.00 175.29 173.80 1qfu n SER 172 N 5.40 -4.27 -2.28 6.67 3.41 -1.26 -2.69 113.62 118.60 1qfu n SER 172 Ca 0.01 -0.22 -0.19 0.00 -0.26 0.00 0.00 58.87 58.21 1qfu n SER 172 Cb 0.53 -3.01 0.01 0.00 -0.26 0.00 0.00 64.21 61.48 1qfu n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qfu n ASP 173 N -0.81 -5.36 -3.99 4.04 9.92 -1.26 -4.99 116.55 114.11 1qfu n ASP 173 Ca -0.03 -0.11 -0.11 0.00 -0.53 0.00 0.00 54.79 54.01 1qfu n ASP 173 Cb 0.55 -4.33 -0.12 0.00 -0.64 0.00 0.00 41.12 36.58 1qfu n ASP 173 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1qfu s LEU 174 N -5.44 2.19 -0.06 0.64 1.43 -1.09 -4.83 118.68 111.52 1qfu s LEU 174 Ca 0.10 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1qfu s LEU 174 Cb -0.05 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.12 1qfu s LEU 174 CO 0.13 -0.20 -0.11 -0.31 0.23 0.00 0.00 176.35 176.10 1qfu s TYR 175 N -1.10 2.82 -0.03 0.29 2.02 -0.15 -0.57 117.35 120.62 1qfu s TYR 175 Ca -0.10 -0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1qfu s TYR 175 Cb -0.08 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1qfu s TYR 175 CO -0.00 0.26 -0.15 0.99 -1.57 0.00 0.00 175.55 175.07 1qfu s THR 176 N -0.78 1.28 0.02 -0.71 2.01 -0.91 -1.63 115.64 114.92 1qfu s THR 176 Ca 0.12 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1qfu s THR 176 Cb -0.11 -1.10 0.03 0.00 0.01 0.00 0.00 72.50 71.33 1qfu s THR 176 CO 0.01 0.37 0.34 -1.48 -0.69 0.00 0.00 174.62 173.17 1qfu s LEU 177 N -0.02 0.71 0.07 4.42 0.05 0.45 -0.97 118.68 123.39 1qfu s LEU 177 Ca -0.02 -0.00 0.02 0.00 0.05 0.00 0.00 54.13 54.18 1qfu s LEU 177 Cb -0.10 1.44 -0.03 0.00 -2.05 0.00 0.00 46.19 45.45 1qfu s LEU 177 CO 0.01 -0.56 -0.07 -0.94 -0.55 0.00 0.00 176.35 174.25 1qfu s SER 178 N -1.71 0.99 0.04 1.48 1.04 -1.26 0.22 113.70 114.50 1qfu s SER 178 Ca -0.09 -0.80 0.04 0.00 0.48 0.00 0.00 55.95 55.57 1qfu s SER 178 Cb -0.03 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1qfu s SER 178 CO 0.01 -0.36 -0.11 -0.55 0.98 0.00 0.00 173.24 173.21 1qfu s SER 179 N -2.39 1.24 -0.28 7.02 0.15 -0.90 0.11 113.70 118.64 1qfu s SER 179 Ca 0.02 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.14 1qfu s SER 179 Cb -0.01 -0.03 0.11 0.00 -1.71 0.00 0.00 66.02 64.37 1qfu s SER 179 CO -0.03 -0.08 0.18 -0.94 1.20 0.00 0.00 173.24 173.57 1qfu s SER 180 N -1.36 2.89 0.55 5.45 1.04 0.06 -2.31 113.70 120.02 1qfu s SER 180 Ca -0.04 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.24 1qfu s SER 180 Cb -0.09 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1qfu s SER 180 CO 0.01 -0.42 0.91 0.54 0.98 0.00 0.00 173.24 175.26 1qfu s VAL 181 N 2.18 4.79 -0.27 5.02 0.11 -1.02 -2.75 120.40 128.46 1qfu s VAL 181 Ca 0.09 0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 59.66 1qfu s VAL 181 Cb -0.15 -3.86 0.08 0.00 -1.53 0.00 0.00 36.38 30.92 1qfu s VAL 181 CO -0.34 -0.99 0.05 0.42 -3.33 0.00 0.00 175.10 170.91 1qfu s THR 182 N -2.96 1.02 0.07 5.04 -4.23 -0.73 -1.38 115.64 112.47 1qfu s THR 182 Ca 0.51 -1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 59.67 1qfu s THR 182 Cb -0.11 -1.62 -0.06 0.00 1.34 0.00 0.00 72.50 72.05 1qfu s THR 182 CO 0.49 -0.46 0.42 0.68 -0.54 0.00 0.00 174.62 175.22 1qfu s VAL 183 N 1.58 5.05 -0.46 2.29 -7.23 0.99 -4.81 120.40 117.81 1qfu s VAL 183 Ca 0.04 0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 60.50 1qfu s VAL 183 Cb -0.18 -3.67 0.01 0.00 0.56 0.00 0.00 36.38 33.11 1qfu s VAL 183 CO -0.16 0.34 1.40 -2.16 -0.31 0.00 0.00 175.10 174.20 1qfu s PRO 184 N -1.76 3.51 0.00 4.82 0.04 -1.26 -0.23 135.00 140.12 1qfu s PRO 184 Ca 0.32 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1qfu s PRO 184 Cb -0.15 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1qfu s PRO 184 CO 0.17 -1.66 0.00 0.43 0.04 0.00 0.00 177.00 175.98 1qfu n SER 185 N 8.99 0.00 -0.07 6.66 7.64 -1.26 0.51 113.62 136.09 1qfu n SER 185 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1qfu n SER 185 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1qfu n SER 185 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qfu n SER 186 N 0.00 0.09 -0.03 6.43 3.41 -1.26 -2.81 113.62 119.45 1qfu n SER 186 Ca 0.00 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1qfu n SER 186 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1qfu n SER 186 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qfu n THR 187 N -0.41 0.00 0.00 6.66 -2.24 0.18 -4.80 114.28 113.67 1qfu n THR 187 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1qfu n THR 187 Cb 0.02 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1qfu n THR 187 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1qfu n TRP 188 N -0.33 0.00 -0.25 4.78 -0.00 -1.12 -4.28 117.44 116.24 1qfu n TRP 188 Ca 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 57.50 57.83 1qfu n TRP 188 Cb 0.02 0.00 0.71 0.00 -0.00 0.00 0.00 31.31 32.04 1qfu n TRP 188 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1qfu h PRO 189 N 0.00 0.00 0.28 5.87 0.11 -1.93 -1.95 132.00 134.38 1qfu h PRO 189 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qfu h PRO 189 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1qfu h PRO 189 CO 0.00 0.00 -0.50 0.77 -0.21 0.00 0.00 178.00 178.06 1qfu h SER 190 N 0.00 -1.45 -3.78 -2.05 0.02 -1.87 -3.45 113.55 100.97 1qfu h SER 190 Ca 0.51 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.51 1qfu h SER 190 Cb 2.24 0.51 -0.01 0.00 0.14 0.00 0.00 62.40 65.29 1qfu h SER 190 CO -0.01 -0.60 -0.04 -0.62 -1.14 0.00 0.00 176.83 174.43 1qfu n GLU 191 N -5.52 1.43 -4.00 3.45 1.02 -0.73 -5.12 120.64 111.16 1qfu n GLU 191 Ca -0.10 -0.50 -0.35 0.00 -0.02 0.00 0.00 57.16 56.19 1qfu n GLU 191 Cb 0.43 0.06 -0.12 0.00 -0.02 0.00 0.00 31.44 31.80 1qfu n GLU 191 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1qfu s THR 192 N -0.48 4.35 -0.27 2.62 -4.23 -1.26 -4.82 115.64 111.55 1qfu s THR 192 Ca 0.04 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 1qfu s THR 192 Cb -0.00 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 1qfu s THR 192 CO 0.02 0.42 0.20 -0.69 -0.54 0.00 0.00 174.62 174.04 1qfu s VAL 193 N 0.89 5.30 -0.04 2.29 1.01 -1.26 -4.93 120.40 123.66 1qfu s VAL 193 Ca 0.03 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1qfu s VAL 193 Cb -0.14 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1qfu s VAL 193 CO 0.02 0.25 -0.15 -0.89 0.00 0.00 0.00 175.10 174.34 1qfu s THR 194 N 1.71 1.24 -0.23 3.92 2.01 -1.26 0.43 115.64 123.47 1qfu s THR 194 Ca 0.08 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 1qfu s THR 194 Cb -0.16 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1qfu s THR 194 CO 0.10 0.36 0.02 0.00 -0.69 0.00 0.00 174.62 174.42 1qfu s ASN 196 N 1.39 6.15 0.05 0.00 -0.87 0.18 -1.64 114.94 120.20 1qfu s ASN 196 Ca 0.05 -0.90 0.02 0.00 -1.57 0.00 0.00 52.86 50.45 1qfu s ASN 196 Cb -0.15 -2.19 -0.04 0.00 -0.02 0.00 0.00 41.25 38.86 1qfu s ASN 196 CO 0.01 -0.54 0.07 0.68 -2.57 0.00 0.00 177.10 174.76 1qfu s VAL 197 N 1.85 4.57 -0.05 1.60 -7.23 -0.18 -1.01 120.40 119.94 1qfu s VAL 197 Ca 0.07 -0.65 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1qfu s VAL 197 Cb -0.19 -3.16 0.03 0.00 0.56 0.00 0.00 36.38 33.62 1qfu s VAL 197 CO 0.11 0.21 -0.02 0.00 -0.31 0.00 0.00 175.10 175.09 1qfu s ALA 198 N -1.31 0.63 -0.52 1.32 0.00 -0.90 -0.49 121.76 120.48 1qfu s ALA 198 Ca 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1qfu s ALA 198 Cb -0.12 -0.54 0.13 0.00 0.00 0.00 0.00 23.12 22.59 1qfu s ALA 198 CO 0.19 -0.22 0.29 -1.58 0.00 0.00 0.00 175.76 174.44 1qfu s HIS 199 N 1.38 3.37 0.31 0.00 2.46 -0.20 -1.44 115.29 121.18 1qfu s HIS 199 Ca -0.04 -2.93 0.06 0.00 0.47 0.00 0.00 55.06 52.61 1qfu s HIS 199 Cb -0.13 -3.00 0.51 0.00 -0.13 0.00 0.00 32.58 29.83 1qfu s HIS 199 CO -0.03 -0.82 1.76 -1.35 -2.47 0.00 0.00 174.74 171.83 1qfu h PRO 200 N 6.96 0.34 0.00 2.88 0.11 -1.78 -0.41 132.00 140.10 1qfu h PRO 200 Ca -0.06 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1qfu h PRO 200 Cb 0.94 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1qfu h PRO 200 CO 0.68 0.60 0.19 0.00 -0.21 0.00 0.00 178.00 179.25 1qfu n ALA 201 N -2.48 0.75 -0.90 -0.75 0.00 -1.26 -0.94 120.51 114.92 1qfu n ALA 201 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1qfu n ALA 201 Cb 0.40 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1qfu n ALA 201 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qfu n SER 202 N -1.92 0.19 -3.55 0.00 3.41 -0.93 -4.95 113.62 105.86 1qfu n SER 202 Ca -0.01 -1.09 -0.27 0.00 -0.26 0.00 0.00 58.87 57.24 1qfu n SER 202 Cb 0.21 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.21 1qfu n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qfu n SER 203 N -0.05 -5.73 -4.07 4.04 7.64 -0.11 -4.99 113.62 110.35 1qfu n SER 203 Ca 0.00 -0.93 -0.25 0.00 1.01 0.00 0.00 58.87 58.70 1qfu n SER 203 Cb 0.47 -3.92 -0.16 0.00 -1.01 0.00 0.00 64.21 59.59 1qfu n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qfu s THR 204 N -3.44 1.27 -0.23 0.44 2.01 -0.28 -5.01 115.64 110.40 1qfu s THR 204 Ca 0.47 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 1qfu s THR 204 Cb -0.14 -1.13 0.08 0.00 0.01 0.00 0.00 72.50 71.31 1qfu s THR 204 CO 0.83 0.38 0.09 -0.75 -0.69 0.00 0.00 174.62 174.48 1qfu s LYS 205 N 0.46 0.28 -0.10 4.92 2.20 -1.26 -1.03 119.74 125.20 1qfu s LYS 205 Ca -0.12 -0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 55.07 1qfu s LYS 205 Cb -0.15 -1.68 -0.03 0.00 -1.51 0.00 0.00 37.83 34.46 1qfu s LYS 205 CO 0.04 -0.81 0.02 0.08 -0.36 0.00 0.00 175.35 174.31 1qfu s VAL 206 N 2.02 4.43 -0.34 4.02 1.01 0.35 -4.99 120.40 126.91 1qfu s VAL 206 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1qfu s VAL 206 Cb -0.16 -2.89 0.10 0.00 0.00 0.00 0.00 36.38 33.43 1qfu s VAL 206 CO -0.19 0.59 0.07 -1.81 0.00 0.00 0.00 175.10 173.75 1qfu s ASP 207 N -0.70 4.61 -0.35 3.32 1.01 -1.26 -1.01 116.67 122.29 1qfu s ASP 207 Ca 0.11 -2.10 -0.11 0.00 0.71 0.00 0.00 52.55 51.15 1qfu s ASP 207 Cb -0.12 -1.49 0.00 0.00 1.01 0.00 0.00 42.92 42.33 1qfu s ASP 207 CO 0.02 -0.38 0.21 -0.75 0.21 0.00 0.00 175.17 174.48 1qfu s LYS 208 N 0.98 3.22 -0.21 8.23 2.47 -0.65 -4.96 119.74 128.82 1qfu s LYS 208 Ca 0.11 -0.82 -0.22 0.00 -1.56 0.00 0.00 55.97 53.49 1qfu s LYS 208 Cb -0.19 -3.72 -0.02 0.00 -1.46 0.00 0.00 37.83 32.44 1qfu s LYS 208 CO -0.11 -0.53 0.68 -1.59 0.16 0.00 0.00 175.35 173.96 1qfu s LYS 209 N 1.64 4.20 -0.38 4.03 0.00 -1.26 -0.74 119.74 127.22 1qfu s LYS 209 Ca 0.04 0.68 -0.29 0.00 0.00 0.00 0.00 55.97 56.41 1qfu s LYS 209 Cb -0.18 -3.60 -0.00 0.00 0.00 0.00 0.00 37.83 34.05 1qfu s LYS 209 CO 0.08 -0.32 1.57 0.42 0.00 0.00 0.00 175.35 177.10 1qfu s ILE 210 N 2.17 3.73 0.07 3.79 -1.09 0.17 -4.97 121.20 125.06 1qfu s ILE 210 Ca 0.30 0.74 -0.09 0.00 -2.23 0.00 0.00 60.65 59.37 1qfu s ILE 210 Cb -0.16 -3.97 -0.06 0.00 -1.58 0.00 0.00 42.46 36.69 1qfu s ILE 210 CO 0.10 -0.62 0.37 0.68 -1.23 0.00 0.00 174.94 174.24 1qfu s VAL 211 N 6.01 5.14 -0.28 2.92 -7.23 -1.26 -4.41 120.40 121.30 1qfu s VAL 211 Ca 0.69 0.37 -0.28 0.00 -1.81 0.00 0.00 61.98 60.95 1qfu s VAL 211 Cb -0.17 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 1qfu s VAL 211 CO 0.33 0.30 1.91 -2.84 -0.31 0.00 0.00 175.10 174.49 1qfu s PRO 212 N -1.90 3.34 -0.04 4.82 0.02 -1.26 -4.75 135.00 135.23 1qfu s PRO 212 Ca 0.32 1.66 -0.14 0.00 0.02 0.00 0.00 61.00 62.86 1qfu s PRO 212 Cb -0.14 -4.23 -0.32 0.00 0.02 0.00 0.00 34.50 29.83 1qfu s PRO 212 CO 0.18 -1.85 0.76 -0.09 -0.33 0.00 0.00 177.00 175.68 1qfu h ARG 213 N 13.23 0.40 0.00 5.54 2.43 -1.91 -3.52 114.38 130.56 1qfu h ARG 213 Ca -0.36 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.12 1qfu h ARG 213 Cb 1.19 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1qfu h ARG 213 CO 1.00 1.33 0.00 -0.25 -1.51 0.00 0.00 179.97 180.54