#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gwh s LEU 17 N 0.00 3.88 0.50 0.55 0.05 0.01 -5.02 118.68 118.64 2gwh s LEU 17 Ca 0.00 2.43 -0.15 0.00 0.05 0.00 0.00 54.13 56.46 2gwh s LEU 17 Cb 0.00 -4.35 -0.07 0.00 -2.05 0.00 0.00 46.19 39.71 2gwh s LEU 17 CO 0.00 -1.25 0.95 -0.94 -0.55 0.00 0.00 176.35 174.56 2gwh s SER 18 N -1.34 6.59 0.14 1.48 1.04 -1.26 -4.66 113.70 115.69 2gwh s SER 18 Ca 0.69 1.48 0.06 0.00 0.48 0.00 0.00 55.95 58.67 2gwh s SER 18 Cb -0.32 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.29 2gwh s SER 18 CO 0.37 -0.57 -0.13 0.68 0.98 0.00 0.00 173.24 174.57 2gwh s VAL 19 N -2.61 1.35 0.21 5.02 -7.23 -1.26 -1.50 120.40 114.39 2gwh s VAL 19 Ca 0.57 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 2gwh s VAL 19 Cb -0.10 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 2gwh s VAL 19 CO 0.32 -0.53 0.27 0.21 -0.31 0.00 0.00 175.10 175.07 2gwh s ASN 20 N -2.76 0.05 -0.01 4.85 2.47 0.23 -4.76 114.94 115.02 2gwh s ASN 20 Ca 0.13 -1.16 -0.30 0.00 0.42 0.00 0.00 52.86 51.95 2gwh s ASN 20 Cb -0.02 0.46 -0.03 0.00 -1.45 0.00 0.00 41.25 40.20 2gwh s ASN 20 CO 0.03 -0.95 1.04 -0.31 -3.72 0.00 0.00 177.10 173.18 2gwh s TYR 21 N -4.08 3.57 -0.11 0.43 2.02 -1.26 -0.94 117.35 116.97 2gwh s TYR 21 Ca 0.30 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.59 2gwh s TYR 21 Cb 0.04 -3.21 0.02 0.00 -0.40 0.00 0.00 41.96 38.41 2gwh s TYR 21 CO 0.09 -0.36 -0.11 0.54 -1.57 0.00 0.00 175.55 174.14 2gwh s VAL 22 N 1.24 1.24 -1.58 0.71 0.11 0.18 -4.81 120.40 117.49 2gwh s VAL 22 Ca 0.53 -0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 58.97 2gwh s VAL 22 Cb -0.22 -1.19 0.13 0.00 -1.53 0.00 0.00 36.38 33.56 2gwh s VAL 22 CO 0.26 0.40 0.77 0.29 -3.33 0.00 0.00 175.10 173.49 2gwh n LYS 23 N 4.63 -3.67 -0.04 1.54 4.76 -1.26 -1.81 118.16 122.32 2gwh n LYS 23 Ca -0.16 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2gwh n LYS 23 Cb 0.50 -5.19 0.00 0.00 -1.84 0.00 0.00 35.03 28.50 2gwh n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gwh n GLY 24 N -1.39 0.83 3.30 0.72 0.00 -1.26 -5.05 105.19 102.34 2gwh n GLY 24 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2gwh n GLY 24 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gwh s ILE 25 N -2.32 2.00 0.27 -0.61 -4.36 -0.75 -4.95 121.20 110.48 2gwh s ILE 25 Ca 0.00 -1.15 -0.30 0.00 -0.26 0.00 0.00 60.65 58.94 2gwh s ILE 25 Cb 0.00 -1.68 -0.10 0.00 1.25 0.00 0.00 42.46 41.93 2gwh s ILE 25 CO 0.00 0.50 1.44 -0.76 0.24 0.00 0.00 174.94 176.37 2gwh s LEU 26 N -0.76 4.38 0.00 0.37 1.43 -1.26 -0.65 118.68 122.19 2gwh s LEU 26 Ca 0.10 2.71 -0.08 0.00 -1.03 0.00 0.00 54.13 55.83 2gwh s LEU 26 Cb -0.10 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2gwh s LEU 26 CO -0.00 -0.71 0.16 -1.10 0.23 0.00 0.00 176.35 174.92 2gwh s GLN 27 N -0.59 0.52 0.30 1.70 -1.52 -0.11 -1.37 119.66 118.58 2gwh s GLN 27 Ca 0.58 -0.40 -0.26 0.00 -1.95 0.00 0.00 55.36 53.34 2gwh s GLN 27 Cb -0.42 0.22 -0.15 0.00 -0.22 0.00 0.00 33.01 32.44 2gwh s GLN 27 CO 0.45 -0.13 0.68 -2.30 -0.25 0.00 0.00 175.29 173.74 2gwh n PRO 28 N 1.37 0.62 -0.34 2.91 -0.02 -1.26 -0.60 135.00 137.68 2gwh n PRO 28 Ca -0.22 0.22 0.20 0.00 -2.02 0.00 0.00 63.50 61.67 2gwh n PRO 28 Cb 0.56 -1.43 0.42 0.00 -0.02 0.00 0.00 33.50 33.03 2gwh n PRO 28 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2gwh h THR 29 N 1.26 0.43 0.00 3.45 1.35 -1.56 -0.66 112.91 117.18 2gwh h THR 29 Ca -0.36 -0.16 -0.08 0.00 -0.55 0.00 0.00 66.41 65.27 2gwh h THR 29 Cb 1.39 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 2gwh h THR 29 CO 0.56 0.08 -0.36 0.44 -0.25 0.00 0.00 175.52 176.00 2gwh h ASP 30 N 0.46 0.00 -0.22 5.36 3.32 -1.86 -2.78 116.42 120.71 2gwh h ASP 30 Ca 0.68 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.63 2gwh h ASP 30 Cb 1.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.95 2gwh h ASP 30 CO -0.53 0.36 -0.24 0.74 -1.72 0.00 0.00 179.24 177.85 2gwh h THR 31 N 0.00 1.32 -0.78 0.35 2.02 -1.31 -3.16 112.91 111.35 2gwh h THR 31 Ca -0.00 -1.41 0.10 0.00 0.77 0.00 0.00 66.41 65.86 2gwh h THR 31 Cb 0.79 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.86 2gwh h THR 31 CO 0.05 0.43 0.43 0.00 0.37 0.00 0.00 175.52 176.80 2gwh h ASP 33 N 0.71 0.00 -0.38 0.00 3.32 -1.51 -3.00 116.42 115.56 2gwh h ASP 33 Ca 0.38 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.30 2gwh h ASP 33 Cb 0.38 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 2gwh h ASP 33 CO -0.26 0.23 0.03 2.30 -1.72 0.00 0.00 179.24 179.82 2gwh n ILE 34 N -3.78 2.51 -0.20 0.35 -5.35 -0.89 -4.79 119.36 107.22 2gwh n ILE 34 Ca -0.01 -2.27 -0.04 0.00 -0.27 0.00 0.00 62.75 60.15 2gwh n ILE 34 Cb 0.33 -0.31 0.06 0.00 -1.74 0.00 0.00 39.64 37.99 2gwh n ILE 34 CO 0.00 0.00 0.00 -0.25 -1.76 0.00 0.00 176.55 174.54 2gwh h TRP 35 N 1.42 0.63 -0.82 4.28 2.91 -1.36 -1.76 115.95 121.26 2gwh h TRP 35 Ca 0.16 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.25 2gwh h TRP 35 Cb 1.70 -0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 30.10 2gwh h TRP 35 CO 0.87 0.34 0.54 -0.44 -1.03 0.00 0.00 178.44 178.71 2gwh h ASP 36 N 0.66 0.84 -0.46 2.65 5.19 -1.87 0.69 116.42 124.12 2gwh h ASP 36 Ca 0.25 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.55 2gwh h ASP 36 Cb 0.07 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2gwh h ASP 36 CO -0.13 0.57 -0.09 0.11 -3.12 0.00 0.00 179.24 176.59 2gwh h LYS 37 N 0.97 0.87 0.26 3.56 1.57 -1.72 -2.36 116.57 119.72 2gwh h LYS 37 Ca 0.33 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2gwh h LYS 37 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2gwh h LYS 37 CO -0.11 0.96 -0.13 0.82 -0.57 0.00 0.00 179.45 180.43 2gwh h ILE 38 N 0.71 0.79 -0.89 1.86 2.04 -0.80 -2.87 117.51 118.34 2gwh h ILE 38 Ca 0.12 -0.49 0.20 0.00 1.00 0.00 0.00 64.86 65.69 2gwh h ILE 38 Cb 0.62 1.06 -0.12 0.00 -0.74 0.00 0.00 36.82 37.65 2gwh h ILE 38 CO 0.04 0.10 0.41 -0.25 0.00 0.00 0.00 178.15 178.46 2gwh h TRP 39 N -0.61 0.69 -0.32 1.37 2.91 -0.90 -0.61 115.95 118.48 2gwh h TRP 39 Ca -0.04 0.04 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 2gwh h TRP 39 Cb 0.44 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 2gwh h TRP 39 CO 0.01 0.01 0.05 0.09 -1.03 0.00 0.00 178.44 177.57 2gwh n ASN 40 N -5.00 3.38 -4.60 2.65 3.02 -0.89 -4.08 115.26 109.74 2gwh n ASN 40 Ca 0.21 -2.52 -0.44 0.00 -0.03 0.00 0.00 54.58 51.81 2gwh n ASN 40 Cb 0.60 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2gwh n ASN 40 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2gwh n PHE 41 N 0.22 1.30 -3.63 3.10 7.35 -0.24 -4.97 117.46 120.59 2gwh n PHE 41 Ca 0.16 0.65 -0.40 0.00 -0.76 0.00 0.00 57.45 57.11 2gwh n PHE 41 Cb 0.78 -2.26 -0.11 0.00 0.35 0.00 0.00 39.48 38.24 2gwh n PHE 41 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2gwh s GLN 42 N -1.69 2.99 0.57 -4.13 2.00 -1.26 -4.44 119.66 113.69 2gwh s GLN 42 Ca 0.59 -0.96 -0.07 0.00 -2.00 0.00 0.00 55.36 52.91 2gwh s GLN 42 Cb -0.65 -3.65 -0.02 0.00 0.80 0.00 0.00 33.01 29.49 2gwh s GLN 42 CO 0.60 -0.60 0.91 0.00 -0.50 0.00 0.00 175.29 175.70 2gwh s ALA 43 N 1.56 3.25 0.07 1.58 0.00 -1.26 -5.04 121.76 121.91 2gwh s ALA 43 Ca 0.03 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2gwh s ALA 43 Cb -0.18 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 2gwh s ALA 43 CO 0.06 -0.63 -0.07 0.15 0.00 0.00 0.00 175.76 175.27 2gwh s LYS 44 N -4.98 2.34 0.48 0.00 1.02 -1.26 -4.99 119.74 112.35 2gwh s LYS 44 Ca 0.52 -0.89 0.19 0.00 0.02 0.00 0.00 55.97 55.81 2gwh s LYS 44 Cb -0.11 -2.41 1.20 0.00 -0.52 0.00 0.00 37.83 35.99 2gwh s LYS 44 CO 0.48 0.54 1.98 -1.35 -0.92 0.00 0.00 175.35 176.09 2gwh h PRO 45 N 3.87 0.21 -0.47 -1.68 0.11 -1.98 -1.71 132.00 130.36 2gwh h PRO 45 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2gwh h PRO 45 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2gwh h PRO 45 CO 0.54 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 2gwh n ASP 46 N -4.44 2.64 -4.77 -2.05 5.75 -1.26 -4.47 116.55 107.94 2gwh n ASP 46 Ca 0.10 -1.97 -0.40 0.00 -0.01 0.00 0.00 54.79 52.50 2gwh n ASP 46 Cb 0.49 -0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2gwh n ASP 46 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2gwh s ASP 47 N -1.08 6.30 -0.12 -1.12 1.01 -0.64 -4.55 116.67 116.46 2gwh s ASP 47 Ca 0.34 2.83 -0.02 0.00 0.71 0.00 0.00 52.55 56.40 2gwh s ASP 47 Cb 0.18 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 2gwh s ASP 47 CO 0.24 -0.88 -0.06 -0.76 0.21 0.00 0.00 175.17 173.92 2gwh s LEU 48 N -2.30 3.17 -0.16 1.23 1.43 -0.57 -3.55 118.68 117.94 2gwh s LEU 48 Ca 0.55 -0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2gwh s LEU 48 Cb -0.42 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 2gwh s LEU 48 CO 0.55 0.23 -0.14 -0.22 0.23 0.00 0.00 176.35 177.00 2gwh s LEU 49 N -0.02 2.56 -0.28 1.79 2.96 -0.73 -0.09 118.68 124.86 2gwh s LEU 49 Ca 0.00 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.37 2gwh s LEU 49 Cb -0.13 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 2gwh s LEU 49 CO 0.03 0.09 0.19 -0.63 -1.32 0.00 0.00 176.35 174.71 2gwh s ILE 50 N 0.79 5.27 -0.09 6.68 1.01 0.93 -0.37 121.20 135.43 2gwh s ILE 50 Ca -0.05 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.77 2gwh s ILE 50 Cb -0.15 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2gwh s ILE 50 CO 0.01 0.24 -0.21 -0.55 0.00 0.00 0.00 174.94 174.43 2gwh s SER 51 N 1.75 2.73 -0.05 3.58 0.15 0.26 -1.12 113.70 121.01 2gwh s SER 51 Ca 0.07 -0.49 -0.22 0.00 0.70 0.00 0.00 55.95 56.01 2gwh s SER 51 Cb -0.16 -1.25 0.05 0.00 -1.71 0.00 0.00 66.02 62.95 2gwh s SER 51 CO 0.11 0.12 0.49 0.42 1.20 0.00 0.00 173.24 175.58 2gwh s THR 52 N 0.44 0.03 0.52 6.45 -4.23 -0.83 -1.85 115.64 116.16 2gwh s THR 52 Ca -0.17 -0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 59.89 2gwh s THR 52 Cb -0.17 -0.79 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 2gwh s THR 52 CO 0.07 -0.12 1.30 -0.47 -0.54 0.00 0.00 174.62 174.86 2gwh s TYR 53 N -1.11 2.48 0.23 3.99 5.04 -1.26 -3.97 117.35 122.74 2gwh s TYR 53 Ca -0.11 1.42 -0.31 0.00 -2.44 0.00 0.00 57.07 55.63 2gwh s TYR 53 Cb -0.03 -3.67 -0.14 0.00 0.35 0.00 0.00 41.96 38.47 2gwh s TYR 53 CO 0.06 -2.46 1.27 -2.30 -1.34 0.00 0.00 175.55 170.78 2gwh n PRO 54 N -0.83 1.64 -1.00 4.97 -0.02 -1.26 -1.93 135.00 136.57 2gwh n PRO 54 Ca 0.09 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2gwh n PRO 54 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2gwh n PRO 54 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2gwh n LYS 55 N 1.71 -0.26 0.00 -0.52 4.76 -1.26 -4.85 118.16 117.75 2gwh n LYS 55 Ca 0.12 0.06 0.13 0.00 -2.87 0.00 0.00 58.31 55.75 2gwh n LYS 55 Cb 0.29 -3.25 0.56 0.00 -1.84 0.00 0.00 35.03 30.79 2gwh n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gwh n ALA 56 N 1.00 2.20 0.00 7.82 0.00 -0.81 -4.86 120.51 125.86 2gwh n ALA 56 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2gwh n ALA 56 Cb 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2gwh n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gwh n GLY 57 N 1.21 1.40 0.11 0.00 0.00 -1.26 -4.50 105.19 102.14 2gwh n GLY 57 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2gwh n GLY 57 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gwh h THR 58 N 0.00 0.92 -0.52 2.61 2.02 -1.90 -2.15 112.91 113.89 2gwh h THR 58 Ca 0.00 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 2gwh h THR 58 Cb 0.00 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2gwh h THR 58 CO 0.00 0.05 -0.14 0.74 0.37 0.00 0.00 175.52 176.54 2gwh h THR 59 N -0.26 1.27 0.01 3.16 2.02 -1.97 -0.06 112.91 117.07 2gwh h THR 59 Ca -0.02 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 65.87 2gwh h THR 59 Cb 0.21 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2gwh h THR 59 CO 0.03 0.46 -0.06 -0.25 0.37 0.00 0.00 175.52 176.07 2gwh h TRP 60 N 0.89 -0.15 -0.54 3.16 7.01 -1.93 -2.26 115.95 122.13 2gwh h TRP 60 Ca 0.13 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 2gwh h TRP 60 Cb 0.71 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.81 2gwh h TRP 60 CO 0.05 -0.09 0.17 1.15 -2.79 0.00 0.00 178.44 176.92 2gwh h THR 61 N -0.11 1.24 -0.46 2.65 2.02 -0.89 -1.91 112.91 115.45 2gwh h THR 61 Ca 0.02 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.43 2gwh h THR 61 Cb 0.13 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 2gwh h THR 61 CO -0.05 0.30 0.24 1.56 0.37 0.00 0.00 175.52 177.94 2gwh h GLN 62 N 0.75 0.47 -0.42 6.66 4.20 -1.00 0.44 115.11 126.21 2gwh h GLN 62 Ca 0.17 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2gwh h GLN 62 Cb 0.28 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2gwh h GLN 62 CO -0.00 0.31 0.21 1.49 -0.67 0.00 0.00 178.83 180.17 2gwh h GLU 63 N 0.49 0.60 0.06 1.46 4.57 -1.14 -1.47 114.58 119.14 2gwh h GLU 63 Ca 0.19 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2gwh h GLU 63 Cb 0.08 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2gwh h GLU 63 CO -0.12 0.50 -0.07 0.82 -1.18 0.00 0.00 179.01 178.97 2gwh h ILE 64 N 0.54 0.85 -0.55 2.32 2.04 -1.09 -2.40 117.51 119.22 2gwh h ILE 64 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 2gwh h ILE 64 Cb 0.10 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2gwh h ILE 64 CO -0.02 0.00 0.27 0.58 0.00 0.00 0.00 178.15 178.98 2gwh h VAL 65 N -0.15 1.20 -0.59 1.67 2.07 -0.67 -0.09 116.25 119.69 2gwh h VAL 65 Ca 0.01 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2gwh h VAL 65 Cb 0.14 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2gwh h VAL 65 CO -0.02 0.23 0.25 -0.08 0.02 0.00 0.00 177.57 177.97 2gwh h GLU 66 N 0.74 0.87 -0.38 1.57 4.81 -1.29 -0.83 114.58 120.06 2gwh h GLU 66 Ca 0.19 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2gwh h GLU 66 Cb 0.11 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2gwh h GLU 66 CO -0.02 0.73 0.02 -0.07 -0.73 0.00 0.00 179.01 178.94 2gwh h LEU 67 N 0.82 0.56 -0.07 1.64 3.38 -0.99 0.15 115.31 120.80 2gwh h LEU 67 Ca 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2gwh h LEU 67 Cb 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2gwh h LEU 67 CO -0.02 0.62 0.01 0.40 0.09 0.00 0.00 178.44 179.55 2gwh h ILE 68 N 0.57 1.21 -0.76 1.22 2.04 -0.69 0.33 117.51 121.43 2gwh h ILE 68 Ca 0.12 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 2gwh h ILE 68 Cb 0.34 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2gwh h ILE 68 CO 0.01 0.18 0.32 -0.61 0.00 0.00 0.00 178.15 178.05 2gwh h GLN 69 N -0.12 1.11 -0.47 2.37 4.15 -0.65 -2.08 115.11 119.43 2gwh h GLN 69 Ca 0.02 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2gwh h GLN 69 Cb 0.27 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2gwh h GLN 69 CO 0.00 0.89 0.00 0.27 -1.93 0.00 0.00 178.83 178.06 2gwh n ASN 70 N -4.29 2.62 -3.60 -0.69 0.23 0.47 -4.96 115.26 105.04 2gwh n ASN 70 Ca 0.07 -1.98 -0.23 0.00 -0.53 0.00 0.00 54.58 51.91 2gwh n ASN 70 Cb 0.17 -0.31 0.07 0.00 -2.08 0.00 0.00 39.78 37.63 2gwh n ASN 70 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2gwh n GLU 71 N 0.93 -7.20 -0.50 -3.83 1.02 -0.44 -2.88 120.64 107.74 2gwh n GLU 71 Ca 0.17 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 2gwh n GLU 71 Cb 0.42 -5.80 0.00 0.00 -0.02 0.00 0.00 31.44 26.04 2gwh n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gwh n GLY 72 N -1.74 0.73 3.57 0.62 0.00 0.10 -5.00 105.19 103.48 2gwh n GLY 72 Ca -0.08 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2gwh n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gwh s ASP 73 N -2.19 6.23 0.24 1.61 -1.08 -1.14 -4.80 116.67 115.55 2gwh s ASP 73 Ca 0.00 -1.71 -0.01 0.00 -0.52 0.00 0.00 52.55 50.32 2gwh s ASP 73 Cb 0.00 -2.57 0.29 0.00 -1.46 0.00 0.00 42.92 39.17 2gwh s ASP 73 CO 0.00 -1.77 1.66 0.58 0.52 0.00 0.00 175.17 176.16 2gwh h VAL 74 N 6.37 1.28 -0.06 1.11 2.07 -1.94 -2.68 116.25 122.39 2gwh h VAL 74 Ca 0.27 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.45 2gwh h VAL 74 Cb 0.95 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2gwh h VAL 74 CO 1.38 0.44 -0.04 -0.33 0.02 0.00 0.00 177.57 179.04 2gwh h GLU 75 N 0.52 -0.04 -0.91 1.57 3.07 -1.99 -2.69 114.58 114.12 2gwh h GLU 75 Ca 0.07 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.99 2gwh h GLU 75 Cb 0.74 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.60 2gwh h GLU 75 CO 0.06 -0.03 0.59 -0.22 -1.40 0.00 0.00 179.01 178.01 2gwh h LYS 76 N -0.05 1.04 0.00 2.33 3.64 -1.92 -1.36 116.57 120.25 2gwh h LYS 76 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2gwh h LYS 76 Cb 0.10 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2gwh h LYS 76 CO -0.09 0.69 0.00 0.43 -2.27 0.00 0.00 179.45 178.21 2gwh n SER 77 N -4.47 0.48 -0.86 4.20 7.64 -1.03 -2.22 113.62 117.36 2gwh n SER 77 Ca 0.13 0.61 0.10 0.00 1.01 0.00 0.00 58.87 60.72 2gwh n SER 77 Cb 0.16 -0.72 0.27 0.00 -1.01 0.00 0.00 64.21 62.92 2gwh n SER 77 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2gwh n LYS 78 N -2.03 2.11 0.18 1.43 5.02 -0.52 -4.41 118.16 119.94 2gwh n LYS 78 Ca 0.03 -1.69 0.05 0.00 -2.02 0.00 0.00 58.31 54.67 2gwh n LYS 78 Cb 0.22 -1.42 0.49 0.00 -0.02 0.00 0.00 35.03 34.30 2gwh n LYS 78 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2gwh h ARG 79 N 3.08 0.12 -2.77 1.97 0.11 -1.42 -3.46 114.38 112.01 2gwh h ARG 79 Ca 0.00 -0.02 0.04 0.00 0.10 0.00 0.00 59.98 60.10 2gwh h ARG 79 Cb 0.69 -0.02 -0.12 0.00 1.11 0.00 0.00 29.97 31.63 2gwh h ARG 79 CO 0.00 0.22 0.30 0.00 0.10 0.00 0.00 179.97 180.60 2gwh s ALA 80 N -4.82 -1.62 0.79 0.08 0.00 -1.26 -5.13 121.76 109.81 2gwh s ALA 80 Ca -0.05 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 2gwh s ALA 80 Cb 0.16 0.75 0.07 0.00 0.00 0.00 0.00 23.12 24.10 2gwh s ALA 80 CO 0.71 -0.80 1.10 -1.25 0.00 0.00 0.00 175.76 175.52 2gwh s PRO 81 N -3.58 2.05 0.21 0.00 0.04 -1.26 -4.69 135.00 127.76 2gwh s PRO 81 Ca 0.04 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 2gwh s PRO 81 Cb -0.02 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.80 2gwh s PRO 81 CO -0.09 -1.81 1.53 2.41 0.04 0.00 0.00 177.00 179.08 2gwh n THR 82 N -3.61 -0.57 0.32 1.26 -1.04 -0.38 -1.03 114.28 109.22 2gwh n THR 82 Ca 0.10 2.34 0.20 0.00 -2.04 0.00 0.00 64.05 64.64 2gwh n THR 82 Cb 0.53 -3.03 1.05 0.00 -1.82 0.00 0.00 70.33 67.06 2gwh n THR 82 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 2gwh h HIS 83 N 0.00 0.00 0.01 -1.42 2.07 -1.89 -0.27 115.15 113.65 2gwh h HIS 83 Ca 0.29 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.50 2gwh h HIS 83 Cb 0.54 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.47 2gwh h HIS 83 CO -0.91 0.01 -1.83 1.04 -3.07 0.00 0.00 177.93 173.17 2gwh n GLN 84 N -3.31 0.65 0.09 5.12 6.02 -0.20 -4.14 117.38 121.61 2gwh n GLN 84 Ca -0.02 0.26 -0.07 0.00 -0.01 0.00 0.00 57.00 57.15 2gwh n GLN 84 Cb 0.12 -1.75 0.05 0.00 1.02 0.00 0.00 30.24 29.67 2gwh n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gwh h ARG 85 N 0.01 0.21 -4.33 -1.09 3.08 -0.62 -3.43 114.38 108.21 2gwh h ARG 85 Ca -0.34 -0.19 -0.61 0.00 0.07 0.00 0.00 59.98 58.91 2gwh h ARG 85 Cb 2.04 0.04 -0.38 0.00 0.08 0.00 0.00 29.97 31.75 2gwh h ARG 85 CO 0.07 0.87 -0.78 -0.06 -1.07 0.00 0.00 179.97 179.00 2gwh s PHE 86 N -3.44 2.48 0.04 3.04 0.08 -0.18 -4.78 117.98 115.22 2gwh s PHE 86 Ca -0.03 -1.88 -0.30 0.00 0.12 0.00 0.00 56.93 54.84 2gwh s PHE 86 Cb 0.11 -1.72 -0.09 0.00 -0.57 0.00 0.00 43.02 40.75 2gwh s PHE 86 CO 0.81 -0.80 1.98 -2.14 -0.10 0.00 0.00 175.22 174.97 2gwh s PRO 87 N 1.36 4.14 -0.88 0.24 0.02 -1.25 -4.67 135.00 133.96 2gwh s PRO 87 Ca -0.03 2.63 -0.19 0.00 0.02 0.00 0.00 61.00 63.42 2gwh s PRO 87 Cb -0.19 -4.16 0.12 0.00 0.02 0.00 0.00 34.50 30.29 2gwh s PRO 87 CO -0.08 -0.96 1.10 0.12 -0.33 0.00 0.00 177.00 176.85 2gwh s PHE 88 N 4.45 3.04 0.23 6.54 5.99 -1.26 -0.91 117.98 136.06 2gwh s PHE 88 Ca 0.89 -1.25 -0.13 0.00 0.00 0.00 0.00 56.93 56.45 2gwh s PHE 88 Cb -0.43 -4.29 0.30 0.00 0.00 0.00 0.00 43.02 38.60 2gwh s PHE 88 CO 0.42 -1.52 1.60 -0.07 -0.00 0.00 0.00 175.22 175.65 2gwh h LEU 89 N 10.59 -0.79 -0.34 6.12 3.38 -1.43 -1.51 115.31 131.34 2gwh h LEU 89 Ca 0.08 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2gwh h LEU 89 Cb 1.03 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2gwh h LEU 89 CO 1.13 -0.26 -0.25 -1.84 0.09 0.00 0.00 178.44 177.30 2gwh n GLU 90 N -5.50 0.65 -2.53 1.13 0.00 -1.26 -2.38 120.64 110.75 2gwh n GLU 90 Ca 0.10 -0.34 -0.42 0.00 0.00 0.00 0.00 57.16 56.50 2gwh n GLU 90 Cb 0.39 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.31 2gwh n GLU 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2gwh s MET 91 N -2.59 4.43 -0.30 3.44 1.75 -0.57 -4.63 119.30 120.84 2gwh s MET 91 Ca 0.23 1.62 -0.01 0.00 -1.25 0.00 0.00 55.69 56.28 2gwh s MET 91 Cb 0.19 -3.46 0.13 0.00 2.84 0.00 0.00 34.83 34.52 2gwh s MET 91 CO 0.54 -0.28 0.24 0.21 -0.65 0.00 0.00 175.02 175.08 2gwh s LYS 92 N 1.54 0.32 -0.05 4.11 2.20 -1.26 -0.51 119.74 126.09 2gwh s LYS 92 Ca 0.55 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.77 2gwh s LYS 92 Cb -0.25 -0.87 0.01 0.00 -1.51 0.00 0.00 37.83 35.21 2gwh s LYS 92 CO 0.25 -1.05 -0.11 0.42 -0.36 0.00 0.00 175.35 174.50 2gwh s ILE 93 N 2.11 0.99 0.14 5.43 1.01 -0.93 -4.35 121.20 125.60 2gwh s ILE 93 Ca 0.10 -0.41 -0.34 0.00 0.00 0.00 0.00 60.65 60.00 2gwh s ILE 93 Cb -0.15 -0.91 -0.16 0.00 0.01 0.00 0.00 42.46 41.25 2gwh s ILE 93 CO -0.30 0.32 1.25 -2.65 0.00 0.00 0.00 174.94 173.56 2gwh n PRO 94 N 3.70 1.21 -0.05 2.79 -0.02 -1.26 -0.83 135.00 140.53 2gwh n PRO 94 Ca -0.22 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2gwh n PRO 94 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2gwh n PRO 94 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2gwh n SER 95 N 2.24 0.00 -0.00 2.55 3.41 -1.26 -4.77 113.62 115.79 2gwh n SER 95 Ca 0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.80 2gwh n SER 95 Cb 0.23 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 2gwh n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gwh n LEU 96 N 0.00 0.23 0.00 1.04 4.77 -0.01 -4.99 117.00 118.03 2gwh n LEU 96 Ca 0.00 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2gwh n LEU 96 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2gwh n LEU 96 CO 0.00 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 2gwh n GLY 97 N 1.38 -0.53 3.29 -0.72 0.00 -0.78 -4.79 105.19 103.05 2gwh n GLY 97 Ca 0.01 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 2gwh n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gwh s SER 98 N -4.00 3.93 0.35 1.61 0.15 -1.26 -2.20 113.70 112.28 2gwh s SER 98 Ca 0.00 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.25 2gwh s SER 98 Cb 0.00 -1.63 0.62 0.00 -1.71 0.00 0.00 66.02 63.30 2gwh s SER 98 CO 0.00 0.06 1.99 1.23 1.20 0.00 0.00 173.24 177.71 2gwh h GLY 99 N 7.50 0.85 0.46 9.45 0.00 -0.87 -0.99 103.07 119.47 2gwh h GLY 99 Ca -0.36 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 46.70 2gwh h GLY 99 CO 0.59 0.34 0.12 -2.00 0.00 0.00 0.00 176.54 175.58 2gwh h LEU 100 N 0.81 0.06 -0.39 3.11 5.85 -1.62 -1.18 115.31 121.95 2gwh h LEU 100 Ca 0.21 0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 2gwh h LEU 100 Cb -0.03 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2gwh h LEU 100 CO -0.04 0.07 -0.74 -0.33 -0.34 0.00 0.00 178.44 177.06 2gwh h GLU 101 N 0.26 0.00 -0.53 1.25 4.39 -1.79 -0.96 114.58 117.21 2gwh h GLU 101 Ca 0.23 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.99 2gwh h GLU 101 Cb 0.27 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 2gwh h GLU 101 CO -0.27 0.74 0.22 1.96 -1.16 0.00 0.00 179.01 180.49 2gwh h GLN 102 N 0.00 0.41 -0.43 2.33 4.20 -0.89 -2.72 115.11 118.01 2gwh h GLN 102 Ca -0.01 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2gwh h GLN 102 Cb 1.38 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2gwh h GLN 102 CO 0.10 0.27 -0.32 0.00 -0.67 0.00 0.00 178.83 178.21 2gwh h ALA 103 N 1.33 0.61 -0.48 3.87 0.00 -0.96 -3.19 119.26 120.44 2gwh h ALA 103 Ca 0.25 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2gwh h ALA 103 Cb 0.24 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 2gwh h ALA 103 CO -0.22 0.68 -0.23 1.25 0.00 0.00 0.00 179.25 180.72 2gwh h HIS 104 N 0.81 -0.59 0.00 0.00 6.17 -0.91 -0.82 115.15 119.81 2gwh h HIS 104 Ca 0.08 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.21 2gwh h HIS 104 Cb 0.91 0.33 0.00 0.00 2.52 0.00 0.00 27.41 31.17 2gwh h HIS 104 CO 0.06 -0.31 0.00 0.00 0.71 0.00 0.00 177.93 178.39 2gwh n ALA 105 N -2.98 1.84 -2.65 5.26 0.00 -1.05 -4.87 120.51 116.05 2gwh n ALA 105 Ca 0.04 0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.13 2gwh n ALA 105 Cb 0.32 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 2gwh n ALA 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2gwh s MET 106 N -3.25 4.18 0.63 0.00 0.00 -0.31 -5.05 119.30 115.50 2gwh s MET 106 Ca 0.06 0.60 -0.13 0.00 0.00 0.00 0.00 55.69 56.21 2gwh s MET 106 Cb 0.10 -3.60 -0.02 0.00 0.00 0.00 0.00 34.83 31.31 2gwh s MET 106 CO 0.45 -0.29 1.05 -1.25 0.00 0.00 0.00 175.02 174.98 2gwh s PRO 107 N 2.08 3.25 0.64 4.11 0.04 -1.26 -4.92 135.00 138.94 2gwh s PRO 107 Ca 0.28 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 2gwh s PRO 107 Cb -0.16 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2gwh s PRO 107 CO 0.10 -0.86 1.19 0.43 0.04 0.00 0.00 177.00 177.90 2gwh n SER 108 N -2.48 1.63 -4.71 6.66 7.64 -1.26 -4.18 113.62 116.93 2gwh n SER 108 Ca 0.08 0.81 -0.40 0.00 1.01 0.00 0.00 58.87 60.37 2gwh n SER 108 Cb 0.53 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.19 2gwh n SER 108 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2gwh s PRO 109 N -3.20 4.42 -0.10 1.43 0.05 -1.26 -5.17 135.00 131.18 2gwh s PRO 109 Ca 0.81 0.95 -0.09 0.00 0.05 0.00 0.00 61.00 62.71 2gwh s PRO 109 Cb -0.39 -3.47 -0.04 0.00 0.05 0.00 0.00 34.50 30.64 2gwh s PRO 109 CO 0.42 -0.02 0.21 1.03 0.05 0.00 0.00 177.00 178.69 2gwh s ARG 110 N 1.07 3.61 -0.30 4.56 0.52 -1.26 -5.05 118.95 122.09 2gwh s ARG 110 Ca 0.39 0.00 0.01 0.00 -0.52 0.00 0.00 55.73 55.61 2gwh s ARG 110 Cb -0.18 -3.21 0.07 0.00 0.52 0.00 0.00 34.95 32.15 2gwh s ARG 110 CO 0.18 0.72 -0.01 0.42 0.02 0.00 0.00 175.30 176.63 2gwh s ILE 111 N -0.94 2.55 0.19 1.52 1.01 -1.26 -1.52 121.20 122.75 2gwh s ILE 111 Ca 0.17 -1.76 0.04 0.00 0.00 0.00 0.00 60.65 59.10 2gwh s ILE 111 Cb -0.13 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2gwh s ILE 111 CO 0.06 -0.24 0.26 -0.76 0.00 0.00 0.00 174.94 174.26 2gwh s LEU 112 N 1.11 4.15 -0.02 2.97 1.43 0.87 -3.87 118.68 125.31 2gwh s LEU 112 Ca -0.02 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 2gwh s LEU 112 Cb -0.20 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 2gwh s LEU 112 CO -0.04 0.01 -0.16 -0.75 0.23 0.00 0.00 176.35 175.63 2gwh s LYS 113 N -3.50 1.46 0.04 1.70 2.20 -0.09 -0.05 119.74 121.50 2gwh s LYS 113 Ca 0.33 -0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 55.29 2gwh s LYS 113 Cb -0.10 -1.35 -0.00 0.00 -1.51 0.00 0.00 37.83 34.87 2gwh s LYS 113 CO 0.27 0.30 0.15 -0.08 -0.36 0.00 0.00 175.35 175.63 2gwh s THR 114 N -0.19 0.12 -1.03 3.43 -1.32 -0.27 -1.28 115.64 115.09 2gwh s THR 114 Ca 0.02 -1.00 0.11 0.00 -1.21 0.00 0.00 61.69 59.61 2gwh s THR 114 Cb -0.08 -0.92 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 2gwh s THR 114 CO 0.00 -0.55 1.22 1.41 -2.21 0.00 0.00 174.62 174.49 2gwh n HIS 115 N 0.70 0.43 -1.94 9.09 8.25 -1.25 -1.97 115.22 128.52 2gwh n HIS 115 Ca -0.19 -0.44 -0.41 0.00 -0.26 0.00 0.00 57.72 56.42 2gwh n HIS 115 Cb 0.59 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.65 2gwh n HIS 115 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2gwh s LEU 116 N -1.00 4.37 0.84 2.41 1.43 -1.26 -4.70 118.68 120.78 2gwh s LEU 116 Ca 0.23 2.75 -0.12 0.00 -1.03 0.00 0.00 54.13 55.96 2gwh s LEU 116 Cb 0.12 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.82 2gwh s LEU 116 CO 0.16 -0.77 1.19 -2.16 0.23 0.00 0.00 176.35 175.00 2gwh s PRO 117 N -0.38 1.45 0.30 1.29 0.04 -1.26 -4.81 135.00 131.63 2gwh s PRO 117 Ca 0.61 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 2gwh s PRO 117 Cb -0.44 -1.76 0.43 0.00 0.04 0.00 0.00 34.50 32.78 2gwh s PRO 117 CO 0.44 -2.34 1.96 0.35 0.04 0.00 0.00 177.00 177.46 2gwh h PHE 118 N -1.18 1.04 0.00 0.56 3.57 -1.89 -0.64 116.94 118.40 2gwh h PHE 118 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2gwh h PHE 118 Cb 1.29 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2gwh h PHE 118 CO 0.48 0.66 0.00 1.12 -2.23 0.00 0.00 178.31 178.34 2gwh h HIS 119 N 1.12 0.00 -0.38 0.41 2.07 -1.93 -2.36 115.15 114.07 2gwh h HIS 119 Ca 0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.82 2gwh h HIS 119 Cb -0.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.86 2gwh h HIS 119 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 2gwh n LEU 120 N -2.91 3.43 -4.71 6.12 4.77 -0.25 -4.97 117.00 118.48 2gwh n LEU 120 Ca -0.01 -1.52 -0.42 0.00 -0.03 0.00 0.00 56.01 54.03 2gwh n LEU 120 Cb 0.17 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2gwh n LEU 120 CO 0.22 0.74 1.16 -0.22 -1.33 0.00 0.00 177.39 177.96 2gwh s LEU 121 N -1.44 4.36 -0.16 2.23 2.96 -0.89 -4.91 118.68 120.83 2gwh s LEU 121 Ca 0.38 2.37 -0.37 0.00 -0.22 0.00 0.00 54.13 56.29 2gwh s LEU 121 Cb 0.22 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 43.20 2gwh s LEU 121 CO 0.31 -0.74 1.81 -2.65 -1.32 0.00 0.00 176.35 173.75 2gwh n PRO 122 N 4.54 1.73 0.19 0.98 -0.02 -1.26 -4.84 135.00 136.33 2gwh n PRO 122 Ca 0.13 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.41 2gwh n PRO 122 Cb 0.41 -2.41 0.80 0.00 -0.02 0.00 0.00 33.50 32.28 2gwh n PRO 122 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2gwh h PRO 123 N 8.23 0.00 -0.81 0.52 0.13 -1.90 -2.41 132.00 135.75 2gwh h PRO 123 Ca -0.48 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.80 2gwh h PRO 123 Cb 1.29 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 2gwh h PRO 123 CO 0.95 0.00 0.53 1.03 -0.23 0.00 0.00 178.00 180.28 2gwh h SER 124 N 0.00 0.49 0.16 1.44 0.87 -1.84 0.71 113.55 115.37 2gwh h SER 124 Ca 0.09 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2gwh h SER 124 Cb 0.46 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2gwh h SER 124 CO -0.00 0.25 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.34 2gwh h LEU 125 N 0.52 0.00 0.15 2.23 3.38 -1.73 -0.07 115.31 119.79 2gwh h LEU 125 Ca 0.40 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.01 2gwh h LEU 125 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2gwh h LEU 125 CO -0.15 0.14 -1.87 -0.07 0.09 0.00 0.00 178.44 176.58 2gwh h LEU 126 N 0.00 0.51 -0.66 1.67 3.38 -1.36 -2.60 115.31 116.25 2gwh h LEU 126 Ca -0.00 -0.95 0.04 0.00 0.09 0.00 0.00 57.88 57.06 2gwh h LEU 126 Cb 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2gwh h LEU 126 CO 0.02 1.82 0.39 -0.33 0.09 0.00 0.00 178.44 180.44 2gwh h GLU 127 N 0.07 0.73 -0.00 1.13 5.08 -0.59 -1.04 114.58 119.96 2gwh h GLU 127 Ca -0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2gwh h GLU 127 Cb 2.05 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2gwh h GLU 127 CO 0.13 0.48 -0.00 1.63 -1.00 0.00 0.00 179.01 180.25 2gwh n LYS 128 N -4.73 1.07 -3.87 2.33 4.76 -0.07 -4.93 118.16 112.72 2gwh n LYS 128 Ca 0.07 -0.10 -0.30 0.00 -2.87 0.00 0.00 58.31 55.11 2gwh n LYS 128 Cb 0.12 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.83 2gwh n LYS 128 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2gwh n ASN 129 N -0.88 -4.81 -4.75 4.39 5.15 -0.40 -4.55 115.26 109.42 2gwh n ASN 129 Ca 0.23 -0.75 -0.37 0.00 -0.60 0.00 0.00 54.58 53.09 2gwh n ASN 129 Cb 0.14 -3.84 0.03 0.00 -0.53 0.00 0.00 39.78 35.57 2gwh n ASN 129 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gwh s LYS 131 N -3.01 4.29 -0.08 0.00 1.02 -1.23 -4.63 119.74 116.09 2gwh s LYS 131 Ca 0.72 1.96 0.03 0.00 0.02 0.00 0.00 55.97 58.71 2gwh s LYS 131 Cb -0.35 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 2gwh s LYS 131 CO 0.41 -0.57 -0.18 0.42 -0.92 0.00 0.00 175.35 174.51 2gwh s ILE 132 N 2.35 2.64 -0.30 2.17 1.01 0.09 -1.78 121.20 127.38 2gwh s ILE 132 Ca 0.64 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 2gwh s ILE 132 Cb -0.31 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.14 2gwh s ILE 132 CO 0.26 0.56 0.07 -0.63 0.00 0.00 0.00 174.94 175.20 2gwh s ILE 133 N -0.09 3.76 -0.17 2.92 1.09 0.51 -0.24 121.20 128.98 2gwh s ILE 133 Ca -0.04 -0.89 -0.07 0.00 -1.10 0.00 0.00 60.65 58.55 2gwh s ILE 133 Cb -0.14 -3.01 -0.04 0.00 -1.06 0.00 0.00 42.46 38.21 2gwh s ILE 133 CO 0.04 0.00 0.07 -0.47 -0.10 0.00 0.00 174.94 174.48 2gwh s TYR 134 N 1.44 3.29 -0.12 3.97 5.04 -0.02 -0.57 117.35 130.37 2gwh s TYR 134 Ca 0.01 0.15 0.03 0.00 -2.44 0.00 0.00 57.07 54.81 2gwh s TYR 134 Cb -0.18 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.09 2gwh s TYR 134 CO 0.02 0.25 -0.21 0.08 -1.34 0.00 0.00 175.55 174.35 2gwh s VAL 135 N 0.09 2.26 0.15 3.14 1.01 -0.77 -0.30 120.40 125.98 2gwh s VAL 135 Ca 0.05 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.16 2gwh s VAL 135 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2gwh s VAL 135 CO 0.01 0.55 0.04 0.00 0.00 0.00 0.00 175.10 175.69 2gwh s ALA 136 N 0.57 3.34 0.03 5.51 0.00 -0.43 -4.29 121.76 126.48 2gwh s ALA 136 Ca -0.12 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.60 2gwh s ALA 136 Cb -0.17 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 2gwh s ALA 136 CO 0.04 0.55 -0.06 0.50 0.00 0.00 0.00 175.76 176.79 2gwh s ARG 137 N -2.81 0.45 -0.01 0.00 3.52 -1.26 -0.86 118.95 117.97 2gwh s ARG 137 Ca 0.28 -0.57 -0.39 0.00 -0.13 0.00 0.00 55.73 54.92 2gwh s ARG 137 Cb -0.10 -0.25 -0.19 0.00 -1.56 0.00 0.00 34.95 32.85 2gwh s ARG 137 CO 0.20 0.05 1.21 -1.71 -0.81 0.00 0.00 175.30 174.24 2gwh n ASN 138 N 1.91 0.68 0.24 -2.12 2.85 -1.26 -4.77 115.26 112.79 2gwh n ASN 138 Ca -0.20 1.15 0.11 0.00 -0.11 0.00 0.00 54.58 55.53 2gwh n ASN 138 Cb 0.56 -1.02 0.55 0.00 1.24 0.00 0.00 39.78 41.11 2gwh n ASN 138 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2gwh h PRO 139 N 3.76 0.00 0.01 1.20 0.13 -1.98 0.13 132.00 135.25 2gwh h PRO 139 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2gwh h PRO 139 Cb 1.39 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.53 2gwh h PRO 139 CO 0.72 0.18 -0.49 0.87 -0.23 0.00 0.00 178.00 179.05 2gwh h LYS 140 N 0.00 0.31 -0.36 0.86 1.57 -1.97 0.92 116.57 117.90 2gwh h LYS 140 Ca -0.00 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 2gwh h LYS 140 Cb 0.63 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2gwh h LYS 140 CO 0.02 1.05 0.00 -0.44 -0.57 0.00 0.00 179.45 179.52 2gwh h ASP 141 N -0.27 0.53 -0.49 0.86 3.32 -1.90 -2.19 116.42 116.29 2gwh h ASP 141 Ca -0.06 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 2gwh h ASP 141 Cb 1.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2gwh h ASP 141 CO 0.10 0.60 0.05 -1.13 -1.72 0.00 0.00 179.24 177.13 2gwh h ASN 142 N 0.54 0.80 -0.41 6.45 -0.00 -0.84 -0.70 115.58 121.42 2gwh h ASN 142 Ca 0.12 -0.28 0.01 0.00 -0.00 0.00 0.00 56.30 56.15 2gwh h ASN 142 Cb 0.34 -0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 38.42 2gwh h ASN 142 CO 0.01 0.88 0.25 -0.03 -0.00 0.00 0.00 177.43 178.54 2gwh h MET 143 N 0.69 0.49 -0.22 6.67 4.05 -0.59 -1.19 114.93 124.83 2gwh h MET 143 Ca 0.14 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 2gwh h MET 143 Cb 0.44 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 2gwh h MET 143 CO 0.02 0.33 0.10 0.28 0.23 0.00 0.00 176.91 177.86 2gwh h VAL 144 N 0.51 1.15 -0.68 -5.77 2.07 -1.22 0.55 116.25 112.86 2gwh h VAL 144 Ca 0.16 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.26 2gwh h VAL 144 Cb -0.01 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2gwh h VAL 144 CO -0.06 0.15 0.44 -1.28 0.02 0.00 0.00 177.57 176.84 2gwh h SER 145 N 0.22 0.75 -0.38 0.57 0.87 -0.98 -2.38 113.55 112.21 2gwh h SER 145 Ca 0.08 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 2gwh h SER 145 Cb 0.14 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2gwh h SER 145 CO -0.01 0.53 -0.26 0.22 -0.53 0.00 0.00 176.83 176.78 2gwh h TYR 146 N 0.88 1.04 0.09 2.24 5.03 -0.98 -1.63 116.97 123.64 2gwh h TYR 146 Ca 0.26 -0.26 0.02 0.00 2.58 0.00 0.00 58.73 61.33 2gwh h TYR 146 Cb -0.05 -0.24 -0.04 0.00 1.55 0.00 0.00 36.73 37.95 2gwh h TYR 146 CO -0.03 1.05 -0.32 -0.92 -1.32 0.00 0.00 178.16 176.62 2gwh h TYR 147 N 0.77 -0.87 -0.35 -3.82 3.20 -0.61 -0.63 116.97 114.67 2gwh h TYR 147 Ca 0.09 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 2gwh h TYR 147 Cb 0.82 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 2gwh h TYR 147 CO 0.05 -0.42 -0.13 0.45 -1.64 0.00 0.00 178.16 176.47 2gwh h HIS 148 N -0.52 0.66 -0.71 -3.82 3.86 -1.38 -2.06 115.15 111.18 2gwh h HIS 148 Ca 0.04 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2gwh h HIS 148 Cb 0.57 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 2gwh h HIS 148 CO -0.30 0.71 0.46 0.35 0.86 0.00 0.00 177.93 180.01 2gwh h PHE 149 N 0.56 0.86 -0.01 2.45 3.57 -1.00 -2.01 116.94 121.36 2gwh h PHE 149 Ca 0.10 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 2gwh h PHE 149 Cb 0.54 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2gwh h PHE 149 CO 0.02 0.52 -0.44 1.96 -2.23 0.00 0.00 178.31 178.14 2gwh h GLN 150 N 0.91 0.03 -0.72 1.11 4.20 -0.68 0.19 115.11 120.15 2gwh h GLN 150 Ca 0.27 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 2gwh h GLN 150 Cb -0.04 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2gwh h GLN 150 CO -0.08 0.46 0.36 0.00 -0.67 0.00 0.00 178.83 178.90 2gwh h ARG 151 N 0.02 1.03 0.00 1.46 3.08 -0.94 -3.30 114.38 115.73 2gwh h ARG 151 Ca -0.00 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2gwh h ARG 151 Cb 0.79 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2gwh h ARG 151 CO 0.06 0.79 -1.54 0.00 -1.07 0.00 0.00 179.97 178.21 2gwh n MET 152 N -4.44 0.63 -3.68 0.04 0.00 -0.80 -4.87 117.12 104.00 2gwh n MET 152 Ca 0.06 -0.05 -0.39 0.00 0.00 0.00 0.00 57.70 57.32 2gwh n MET 152 Cb 0.12 -1.66 -0.12 0.00 0.00 0.00 0.00 33.22 31.56 2gwh n MET 152 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2gwh s ASN 153 N -4.93 5.49 0.00 3.17 3.84 0.62 -1.72 114.94 121.42 2gwh s ASN 153 Ca -0.05 -1.02 0.28 0.00 0.21 0.00 0.00 52.86 52.28 2gwh s ASN 153 Cb 0.12 -1.94 1.26 0.00 -0.55 0.00 0.00 41.25 40.14 2gwh s ASN 153 CO 0.85 -0.34 1.91 0.29 -2.79 0.00 0.00 177.10 177.03 2gwh n LYS 154 N 4.90 0.15 0.16 0.43 4.76 0.11 -2.26 118.16 126.42 2gwh n LYS 154 Ca -0.12 0.03 0.13 0.00 -2.87 0.00 0.00 58.31 55.48 2gwh n LYS 154 Cb 0.46 -1.50 0.49 0.00 -1.84 0.00 0.00 35.03 32.64 2gwh n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gwh h ALA 155 N 3.09 1.00 -2.48 7.82 0.00 -1.89 0.05 119.26 126.85 2gwh h ALA 155 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2gwh h ALA 155 Cb 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2gwh h ALA 155 CO 0.00 0.00 -0.59 -0.51 0.00 0.00 0.00 179.25 178.15 2gwh s LEU 156 N -4.97 3.56 0.68 0.00 1.43 -0.96 -4.60 118.68 113.83 2gwh s LEU 156 Ca 0.05 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 2gwh s LEU 156 Cb 0.10 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2gwh s LEU 156 CO 0.48 0.03 1.28 -2.84 0.23 0.00 0.00 176.35 175.53 2gwh s PRO 157 N -3.42 2.34 0.30 1.29 0.02 -1.26 -4.76 135.00 129.51 2gwh s PRO 157 Ca 0.31 2.00 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 2gwh s PRO 157 Cb -0.08 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 2gwh s PRO 157 CO 0.22 -1.74 1.54 0.00 -0.33 0.00 0.00 177.00 176.68 2gwh n ALA 158 N -2.21 2.24 0.45 -1.55 0.00 -1.26 -4.80 120.51 113.38 2gwh n ALA 158 Ca 0.15 0.37 0.13 0.00 0.00 0.00 0.00 53.44 54.10 2gwh n ALA 158 Cb 0.49 -2.42 0.39 0.00 0.00 0.00 0.00 19.45 17.91 2gwh n ALA 158 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2gwh h PRO 159 N 4.31 0.00 0.00 0.00 0.13 -1.90 -3.50 132.00 131.04 2gwh h PRO 159 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2gwh h PRO 159 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2gwh h PRO 159 CO 0.76 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 2gwh n GLY 160 N 0.89 -1.12 3.79 1.56 0.00 -1.26 -3.44 105.19 105.61 2gwh n GLY 160 Ca 0.04 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 2gwh n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gwh s THR 161 N 0.00 3.27 0.26 2.61 -4.23 -1.26 -4.79 115.64 111.51 2gwh s THR 161 Ca 0.00 0.41 -0.01 0.00 -1.18 0.00 0.00 61.69 60.91 2gwh s THR 161 Cb 0.00 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.99 2gwh s THR 161 CO 0.00 -0.54 1.81 -0.25 -0.54 0.00 0.00 174.62 175.10 2gwh h TRP 162 N -1.06 0.97 -0.76 3.99 2.91 -1.99 0.06 115.95 120.07 2gwh h TRP 162 Ca -0.46 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.57 2gwh h TRP 162 Cb 1.25 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 29.57 2gwh h TRP 162 CO 0.51 0.36 0.40 0.93 -1.03 0.00 0.00 178.44 179.61 2gwh h GLU 163 N 0.85 1.07 -0.05 2.65 3.07 -1.96 0.06 114.58 120.27 2gwh h GLU 163 Ca 0.46 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 2gwh h GLU 163 Cb 0.48 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2gwh h GLU 163 CO -0.28 0.80 -0.04 0.93 -1.40 0.00 0.00 179.01 179.02 2gwh h GLU 164 N 1.05 0.11 -0.99 2.33 5.08 -1.74 -3.23 114.58 117.20 2gwh h GLU 164 Ca 0.27 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2gwh h GLU 164 Cb 0.06 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2gwh h GLU 164 CO -0.04 0.55 0.63 -0.92 -1.00 0.00 0.00 179.01 178.24 2gwh h TYR 165 N -0.33 1.15 -0.64 4.33 3.20 -0.81 -0.51 116.97 123.35 2gwh h TYR 165 Ca 0.01 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.00 2gwh h TYR 165 Cb 0.53 -0.37 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 2gwh h TYR 165 CO 0.09 0.54 0.26 0.35 -1.64 0.00 0.00 178.16 177.77 2gwh h PHE 166 N 1.08 0.46 -0.33 -3.82 3.57 -1.03 0.96 116.94 117.83 2gwh h PHE 166 Ca 0.45 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.81 2gwh h PHE 166 Cb 0.30 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2gwh h PHE 166 CO -0.00 0.13 -0.45 0.93 -2.23 0.00 0.00 178.31 176.70 2gwh h GLU 167 N 0.46 0.86 -0.30 1.11 4.39 -1.29 -1.19 114.58 118.62 2gwh h GLU 167 Ca 0.32 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2gwh h GLU 167 Cb 0.39 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2gwh h GLU 167 CO -0.30 1.12 0.20 1.15 -1.16 0.00 0.00 179.01 180.02 2gwh h THR 168 N 0.69 1.08 -0.26 1.13 2.02 -0.48 -1.71 112.91 115.37 2gwh h THR 168 Ca 0.04 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2gwh h THR 168 Cb 1.03 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2gwh h THR 168 CO 0.10 0.07 0.04 0.15 0.37 0.00 0.00 175.52 176.26 2gwh h PHE 169 N 0.40 0.46 -0.91 3.16 3.57 -0.80 -1.29 116.94 121.53 2gwh h PHE 169 Ca 0.11 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.63 2gwh h PHE 169 Cb -0.05 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 2gwh h PHE 169 CO -0.06 0.54 0.59 1.25 -2.23 0.00 0.00 178.31 178.40 2gwh h LEU 170 N 0.24 0.86 -0.16 0.59 5.85 -1.02 -1.20 115.31 120.47 2gwh h LEU 170 Ca 0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2gwh h LEU 170 Cb 0.33 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2gwh h LEU 170 CO 0.00 0.52 -0.14 0.00 -0.34 0.00 0.00 178.44 178.49 2gwh n ALA 171 N -2.40 2.78 -0.93 1.25 0.00 -0.66 -4.92 120.51 115.63 2gwh n ALA 171 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2gwh n ALA 171 Cb 0.26 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2gwh n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gwh n GLY 172 N 1.34 0.50 1.69 0.00 0.00 -0.45 -4.86 105.19 103.40 2gwh n GLY 172 Ca 0.12 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 2gwh n GLY 172 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gwh n LYS 173 N -2.93 1.54 -4.41 1.61 5.02 -0.52 -3.70 118.16 114.78 2gwh n LYS 173 Ca 0.00 -1.10 -0.24 0.00 -2.02 0.00 0.00 58.31 54.95 2gwh n LYS 173 Cb 0.00 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.49 2gwh n LYS 173 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2gwh s VAL 174 N -1.52 2.82 0.30 -0.18 -7.23 -1.26 -4.88 120.40 108.45 2gwh s VAL 174 Ca 0.22 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 2gwh s VAL 174 Cb 0.17 -2.50 -0.13 0.00 0.56 0.00 0.00 36.38 34.48 2gwh s VAL 174 CO 0.01 -0.38 1.28 0.00 -0.31 0.00 0.00 175.10 175.70 2gwh n TRP 176 N 0.81 0.00 -3.72 0.00 8.01 -0.47 -4.91 117.44 117.16 2gwh n TRP 176 Ca 0.08 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.27 2gwh n TRP 176 Cb 0.34 -0.16 0.00 0.00 -2.01 0.00 0.00 31.31 29.48 2gwh n TRP 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2gwh n GLY 177 N -2.00 -1.21 3.67 6.99 0.00 -0.29 -4.68 105.19 107.67 2gwh n GLY 177 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2gwh n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gwh s SER 178 N -4.00 6.59 0.22 1.61 0.15 -1.24 -4.63 113.70 112.39 2gwh s SER 178 Ca 0.00 2.44 -0.09 0.00 0.70 0.00 0.00 55.95 59.00 2gwh s SER 178 Cb 0.00 -2.54 0.33 0.00 -1.71 0.00 0.00 66.02 62.10 2gwh s SER 178 CO 0.00 -0.94 1.68 -0.25 1.20 0.00 0.00 173.24 174.93 2gwh h TRP 179 N 9.34 0.12 -0.21 3.44 7.01 -1.89 -1.68 115.95 132.08 2gwh h TRP 179 Ca -0.43 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.63 2gwh h TRP 179 Cb 1.20 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 28.29 2gwh h TRP 179 CO 0.86 -0.10 0.08 0.45 -2.79 0.00 0.00 178.44 176.94 2gwh h HIS 180 N 0.20 0.14 -0.55 2.65 3.86 -1.95 -0.80 115.15 118.71 2gwh h HIS 180 Ca 0.34 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.49 2gwh h HIS 180 Cb 0.55 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2gwh h HIS 180 CO -0.30 0.07 0.04 0.93 0.86 0.00 0.00 177.93 179.54 2gwh h GLU 181 N 0.18 0.90 0.82 2.45 5.08 -1.91 -2.37 114.58 119.72 2gwh h GLU 181 Ca 0.09 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2gwh h GLU 181 Cb 0.05 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.20 2gwh h GLU 181 CO -0.08 0.86 -0.39 1.25 -1.00 0.00 0.00 179.01 179.65 2gwh h HIS 182 N 0.84 -1.02 -0.91 4.33 2.76 -0.79 0.04 115.15 120.39 2gwh h HIS 182 Ca 0.17 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2gwh h HIS 182 Cb 0.44 0.34 -0.04 0.00 1.55 0.00 0.00 27.41 29.69 2gwh h HIS 182 CO 0.03 -0.63 0.60 -0.39 -1.30 0.00 0.00 177.93 176.23 2gwh h VAL 183 N -1.27 1.24 -0.04 5.26 -1.51 -1.22 -2.51 116.25 116.20 2gwh h VAL 183 Ca -0.11 -0.45 -0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2gwh h VAL 183 Cb 0.85 -0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2gwh h VAL 183 CO 0.18 0.23 0.02 0.50 -1.23 0.00 0.00 177.57 177.28 2gwh h LYS 184 N 1.24 0.05 -0.71 5.19 3.64 -1.42 -1.18 116.57 123.38 2gwh h LYS 184 Ca 0.33 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2gwh h LYS 184 Cb -0.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2gwh h LYS 184 CO -0.07 0.09 0.33 0.78 -2.27 0.00 0.00 179.45 178.31 2gwh h GLY 185 N -0.00 1.11 1.50 5.01 0.00 -0.87 -0.30 103.07 109.52 2gwh h GLY 185 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 2gwh h GLY 185 CO -0.00 0.53 -0.30 1.49 0.00 0.00 0.00 176.54 178.25 2gwh h TRP 186 N 1.00 0.65 -0.38 5.60 4.06 -1.43 -2.01 115.95 123.43 2gwh h TRP 186 Ca 0.24 -0.16 -0.09 0.00 2.06 0.00 0.00 58.89 60.94 2gwh h TRP 186 Cb 0.14 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 2gwh h TRP 186 CO 0.01 0.81 -0.12 2.35 -3.56 0.00 0.00 178.44 177.93 2gwh h TRP 187 N 0.49 0.86 -0.21 0.49 2.91 -0.79 -2.30 115.95 117.40 2gwh h TRP 187 Ca 0.06 -0.19 -0.05 0.00 1.13 0.00 0.00 58.89 59.84 2gwh h TRP 187 Cb 0.77 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.20 2gwh h TRP 187 CO 0.03 0.91 -0.09 0.93 -1.03 0.00 0.00 178.44 179.18 2gwh h GLU 188 N 0.56 0.32 0.00 2.65 3.07 -1.02 -2.99 114.58 117.17 2gwh h GLU 188 Ca 0.09 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.77 2gwh h GLU 188 Cb 0.64 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2gwh h GLU 188 CO 0.04 0.43 -0.52 0.00 -1.40 0.00 0.00 179.01 177.56 2gwh h ALA 189 N 1.60 0.92 0.00 3.43 0.00 -1.07 -3.29 119.26 120.85 2gwh h ALA 189 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2gwh h ALA 189 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2gwh h ALA 189 CO 0.02 0.65 -0.03 1.57 0.00 0.00 0.00 179.25 181.46 2gwh h LYS 190 N 0.00 0.00 0.00 0.00 2.10 -1.26 -2.37 116.57 115.04 2gwh h LYS 190 Ca -0.01 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 2gwh h LYS 190 Cb 1.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2gwh h LYS 190 CO 0.07 0.03 -0.41 -0.44 -2.00 0.00 0.00 179.45 176.70 2gwh h ASP 191 N 0.00 0.00 0.00 7.07 3.32 -1.74 -3.32 116.42 121.75 2gwh h ASP 191 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gwh h ASP 191 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2gwh h ASP 191 CO 0.00 0.41 -0.23 2.29 -1.72 0.00 0.00 179.24 180.00 2gwh n LYS 192 N -3.74 0.70 -4.13 3.56 2.85 -0.93 -5.06 118.16 111.40 2gwh n LYS 192 Ca -0.01 -1.56 -0.11 0.00 -1.05 0.00 0.00 58.31 55.58 2gwh n LYS 192 Cb 0.49 -0.90 -0.09 0.00 -0.65 0.00 0.00 35.03 33.88 2gwh n LYS 192 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2gwh s HIS 193 N -1.12 0.90 -1.39 5.58 3.76 -1.00 -5.07 115.29 116.95 2gwh s HIS 193 Ca 0.12 -1.18 -0.11 0.00 -0.15 0.00 0.00 55.06 53.73 2gwh s HIS 193 Cb 0.10 -0.36 0.09 0.00 1.11 0.00 0.00 32.58 33.51 2gwh s HIS 193 CO 0.01 -0.70 2.19 -2.13 -0.85 0.00 0.00 174.74 173.26 2gwh n ARG 194 N -0.26 3.45 -4.98 1.40 0.63 -1.26 -4.76 116.66 110.88 2gwh n ARG 194 Ca -0.00 -3.02 -0.32 0.00 -0.92 0.00 0.00 57.85 53.58 2gwh n ARG 194 Cb 0.65 -3.01 -0.16 0.00 0.45 0.00 0.00 32.46 30.38 2gwh n ARG 194 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2gwh s ILE 195 N 1.46 2.50 -0.31 5.15 1.01 -1.26 -0.73 121.20 129.03 2gwh s ILE 195 Ca 0.47 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 2gwh s ILE 195 Cb 0.13 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 2gwh s ILE 195 CO -0.05 0.54 0.26 -0.22 0.00 0.00 0.00 174.94 175.47 2gwh s LEU 196 N 0.39 4.24 -0.35 2.97 2.96 0.66 -4.93 118.68 124.63 2gwh s LEU 196 Ca -0.15 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 2gwh s LEU 196 Cb -0.17 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.33 2gwh s LEU 196 CO 0.07 -0.17 0.20 -0.47 -1.32 0.00 0.00 176.35 174.65 2gwh s TYR 197 N 1.83 3.21 0.37 5.38 5.04 -1.26 -0.84 117.35 131.08 2gwh s TYR 197 Ca 0.09 -0.69 0.08 0.00 -2.44 0.00 0.00 57.07 54.11 2gwh s TYR 197 Cb -0.16 -2.42 -0.05 0.00 0.35 0.00 0.00 41.96 39.68 2gwh s TYR 197 CO 0.11 -0.53 0.13 -0.51 -1.34 0.00 0.00 175.55 173.41 2gwh s LEU 198 N 1.61 3.15 -0.07 6.97 1.43 0.59 -5.00 118.68 127.35 2gwh s LEU 198 Ca 0.04 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2gwh s LEU 198 Cb -0.18 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.49 2gwh s LEU 198 CO 0.07 -0.37 -0.17 -0.36 0.23 0.00 0.00 176.35 175.74 2gwh s PHE 199 N -2.51 1.92 0.24 0.29 0.08 -1.26 -1.31 117.98 115.42 2gwh s PHE 199 Ca 0.38 -0.72 -0.07 0.00 0.12 0.00 0.00 56.93 56.64 2gwh s PHE 199 Cb 0.00 -1.33 0.41 0.00 -0.57 0.00 0.00 43.02 41.54 2gwh s PHE 199 CO 0.22 -0.31 1.66 -0.92 -0.10 0.00 0.00 175.22 175.77 2gwh h TYR 200 N 6.76 0.08 -0.57 0.36 3.20 -1.25 -1.02 116.97 124.52 2gwh h TYR 200 Ca -0.27 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2gwh h TYR 200 Cb 1.20 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 2gwh h TYR 200 CO 0.47 -0.16 0.31 0.93 -1.64 0.00 0.00 178.16 178.07 2gwh h GLU 201 N 0.17 0.78 -0.31 1.82 3.07 -1.95 -0.49 114.58 117.68 2gwh h GLU 201 Ca 0.39 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 59.08 2gwh h GLU 201 Cb 0.67 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2gwh h GLU 201 CO -0.57 0.58 -0.18 -0.44 -1.40 0.00 0.00 179.01 177.00 2gwh h ASP 202 N 0.79 0.69 -0.73 1.42 3.32 -1.62 -1.01 116.42 119.28 2gwh h ASP 202 Ca 0.20 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2gwh h ASP 202 Cb 0.02 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2gwh h ASP 202 CO -0.03 0.96 0.43 0.24 -1.72 0.00 0.00 179.24 179.12 2gwh h MET 203 N 0.42 1.01 -0.10 3.56 2.86 -0.71 -0.96 114.93 121.01 2gwh h MET 203 Ca 0.06 -0.09 -0.21 0.00 -2.06 0.00 0.00 59.70 57.40 2gwh h MET 203 Cb 0.72 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.18 2gwh h MET 203 CO 0.05 0.72 -0.77 -0.22 1.06 0.00 0.00 176.91 177.75 2gwh h LYS 204 N 1.02 0.69 -0.39 1.72 1.63 -0.96 -1.97 116.57 118.32 2gwh h LYS 204 Ca 0.27 -0.61 -0.13 0.00 -0.85 0.00 0.00 60.65 59.32 2gwh h LYS 204 Cb -0.02 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2gwh h LYS 204 CO -0.05 1.22 -0.28 -0.22 -3.45 0.00 0.00 179.45 176.68 2gwh h LYS 205 N 0.37 0.87 -1.64 1.90 3.64 -0.94 -3.38 116.57 117.39 2gwh h LYS 205 Ca -0.07 -0.42 -0.45 0.00 -1.27 0.00 0.00 60.65 58.44 2gwh h LYS 205 Cb 1.41 -0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.92 2gwh h LYS 205 CO 0.16 1.07 -0.87 -1.71 -2.27 0.00 0.00 179.45 175.82 2gwh n ASN 206 N -4.16 -1.11 -0.29 4.20 2.85 -0.39 -5.01 115.26 111.34 2gwh n ASN 206 Ca -0.02 -2.72 0.04 0.00 -0.11 0.00 0.00 54.58 51.77 2gwh n ASN 206 Cb 0.48 0.16 0.24 0.00 1.24 0.00 0.00 39.78 41.91 2gwh n ASN 206 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2gwh h PRO 207 N 4.69 0.99 -0.40 1.20 0.13 -1.52 -2.72 132.00 134.36 2gwh h PRO 207 Ca 0.10 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2gwh h PRO 207 Cb 0.95 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 2gwh h PRO 207 CO 0.34 0.65 0.22 -0.22 -0.23 0.00 0.00 178.00 178.76 2gwh h LYS 208 N 1.02 0.56 -0.27 0.86 3.64 -1.94 0.97 116.57 121.41 2gwh h LYS 208 Ca 0.38 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 2gwh h LYS 208 Cb 0.19 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2gwh h LYS 208 CO -0.14 0.45 -0.02 1.25 -2.27 0.00 0.00 179.45 178.72 2gwh h HIS 209 N 0.52 -0.06 -0.33 1.91 2.76 -1.90 0.76 115.15 118.82 2gwh h HIS 209 Ca 0.14 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.22 2gwh h HIS 209 Cb 0.06 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2gwh h HIS 209 CO -0.02 -0.07 -0.26 0.93 -1.30 0.00 0.00 177.93 177.21 2gwh h GLU 210 N 0.05 0.66 -0.52 5.26 4.39 -1.17 -1.34 114.58 121.92 2gwh h GLU 210 Ca 0.13 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2gwh h GLU 210 Cb 0.18 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2gwh h GLU 210 CO -0.24 0.85 0.10 0.82 -1.16 0.00 0.00 179.01 179.39 2gwh h ILE 211 N 0.57 1.25 -0.82 3.13 2.04 -0.57 0.09 117.51 123.21 2gwh h ILE 211 Ca 0.08 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.06 2gwh h ILE 211 Cb 0.74 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2gwh h ILE 211 CO 0.06 0.33 0.52 1.56 0.00 0.00 0.00 178.15 180.62 2gwh h GLN 212 N 0.74 0.97 -0.60 2.37 4.20 -0.54 -1.01 115.11 121.24 2gwh h GLN 212 Ca 0.16 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 2gwh h GLN 212 Cb 0.38 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2gwh h GLN 212 CO 0.01 0.64 0.16 0.87 -0.67 0.00 0.00 178.83 179.84 2gwh h LYS 213 N 1.00 0.95 -0.39 1.46 1.57 -0.86 -1.55 116.57 118.75 2gwh h LYS 213 Ca 0.33 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2gwh h LYS 213 Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2gwh h LYS 213 CO -0.13 0.86 0.18 -0.07 -0.57 0.00 0.00 179.45 179.73 2gwh h LEU 214 N 0.86 0.25 -0.43 2.94 3.38 -0.66 -2.20 115.31 119.44 2gwh h LEU 214 Ca 0.19 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2gwh h LEU 214 Cb 0.33 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2gwh h LEU 214 CO -0.00 0.18 0.18 0.00 0.09 0.00 0.00 178.44 178.90 2gwh h ALA 215 N 1.22 0.56 -0.56 1.53 0.00 -0.95 0.14 119.26 121.20 2gwh h ALA 215 Ca 0.17 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2gwh h ALA 215 Cb 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2gwh h ALA 215 CO -0.13 0.15 0.33 1.49 0.00 0.00 0.00 179.25 181.09 2gwh h GLU 216 N 0.55 0.63 -0.63 0.00 4.22 -1.24 0.31 114.58 118.42 2gwh h GLU 216 Ca 0.15 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.47 2gwh h GLU 216 Cb 0.17 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2gwh h GLU 216 CO -0.01 0.42 0.10 0.35 -2.18 0.00 0.00 179.01 177.69 2gwh h PHE 217 N 0.65 1.10 0.00 0.92 3.57 -0.99 -2.71 116.94 119.48 2gwh h PHE 217 Ca 0.23 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 2gwh h PHE 217 Cb 0.05 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 2gwh h PHE 217 CO -0.07 0.93 -0.46 0.82 -2.23 0.00 0.00 178.31 177.30 2gwh h ILE 218 N 0.97 1.01 -0.10 1.41 2.04 -0.43 -3.48 117.51 118.95 2gwh h ILE 218 Ca 0.19 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2gwh h ILE 218 Cb 0.42 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2gwh h ILE 218 CO 0.01 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.22 2gwh n GLY 219 N 0.40 1.24 3.35 5.37 0.00 0.84 -5.07 105.19 111.33 2gwh n GLY 219 Ca -0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2gwh n GLY 219 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gwh s LYS 220 N -2.22 3.38 -0.32 1.61 2.47 0.22 -5.01 119.74 119.87 2gwh s LYS 220 Ca 0.00 -0.67 -0.17 0.00 -1.56 0.00 0.00 55.97 53.57 2gwh s LYS 220 Cb 0.00 -2.71 -0.02 0.00 -1.46 0.00 0.00 37.83 33.65 2gwh s LYS 220 CO 0.00 0.12 0.45 0.15 0.16 0.00 0.00 175.35 176.23 2gwh s LYS 221 N 0.59 3.74 0.07 4.03 1.02 -1.26 -4.24 119.74 123.68 2gwh s LYS 221 Ca -0.07 -0.13 0.10 0.00 0.02 0.00 0.00 55.97 55.89 2gwh s LYS 221 Cb -0.15 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.37 2gwh s LYS 221 CO 0.03 -0.51 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.18 2gwh s LEU 222 N 2.23 2.21 0.68 3.17 1.43 -1.26 -5.14 118.68 122.00 2gwh s LEU 222 Ca 0.16 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 2gwh s LEU 222 Cb -0.16 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 44.88 2gwh s LEU 222 CO 0.12 0.22 0.99 1.51 0.23 0.00 0.00 176.35 179.42 2gwh s ASP 223 N -1.48 5.01 0.27 2.29 -4.77 -1.26 -4.88 116.67 111.84 2gwh s ASP 223 Ca 0.12 0.52 -0.00 0.00 -3.30 0.00 0.00 52.55 49.89 2gwh s ASP 223 Cb -0.10 -1.25 0.51 0.00 -1.09 0.00 0.00 42.92 40.99 2gwh s ASP 223 CO 0.03 -1.47 1.83 0.44 0.70 0.00 0.00 175.17 176.71 2gwh h ASP 224 N -0.50 0.89 -0.16 2.11 3.32 -2.00 -2.39 116.42 117.70 2gwh h ASP 224 Ca -0.45 0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.69 2gwh h ASP 224 Cb 1.30 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 2gwh h ASP 224 CO 0.60 0.49 -0.07 0.50 -1.72 0.00 0.00 179.24 179.04 2gwh h LYS 225 N 0.98 -0.05 -0.21 3.56 1.63 -1.99 0.17 116.57 120.65 2gwh h LYS 225 Ca 0.47 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.24 2gwh h LYS 225 Cb 0.44 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2gwh h LYS 225 CO -0.25 -0.03 -0.02 0.28 -3.45 0.00 0.00 179.45 175.97 2gwh h VAL 226 N -0.05 1.27 -0.49 2.00 2.07 -1.88 -1.28 116.25 117.89 2gwh h VAL 226 Ca 0.09 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.75 2gwh h VAL 226 Cb 0.18 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 2gwh h VAL 226 CO -0.20 0.29 -0.14 -0.07 0.02 0.00 0.00 177.57 177.48 2gwh h LEU 227 N 0.14 -0.51 -0.78 2.57 3.38 -1.31 0.47 115.31 119.27 2gwh h LEU 227 Ca 0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2gwh h LEU 227 Cb 0.44 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2gwh h LEU 227 CO 0.02 -0.18 0.50 0.44 0.09 0.00 0.00 178.44 179.31 2gwh h ASP 228 N -0.02 0.91 -0.37 -0.43 3.32 -0.43 -1.55 116.42 117.85 2gwh h ASP 228 Ca 0.23 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.26 2gwh h ASP 228 Cb 0.38 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2gwh h ASP 228 CO -0.51 0.67 0.21 0.50 -1.72 0.00 0.00 179.24 178.39 2gwh h LYS 229 N 1.06 0.42 -0.62 3.56 3.64 -0.48 -1.22 116.57 122.93 2gwh h LYS 229 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2gwh h LYS 229 Cb -0.09 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2gwh h LYS 229 CO -0.06 0.28 0.39 0.82 -2.27 0.00 0.00 179.45 178.61 2gwh h ILE 230 N 0.43 1.17 -0.29 2.00 2.04 -0.55 -0.46 117.51 121.85 2gwh h ILE 230 Ca 0.15 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.70 2gwh h ILE 230 Cb 0.01 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 2gwh h ILE 230 CO -0.07 0.17 0.02 0.58 0.00 0.00 0.00 178.15 178.85 2gwh h VAL 231 N 0.84 0.81 0.53 1.67 2.07 -1.01 -0.47 116.25 120.69 2gwh h VAL 231 Ca 0.23 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 2gwh h VAL 231 Cb -0.06 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2gwh h VAL 231 CO -0.05 0.02 -0.29 -0.74 0.02 0.00 0.00 177.57 176.53 2gwh h HIS 232 N 0.11 -0.77 0.00 1.57 -0.00 -0.83 -2.67 115.15 112.56 2gwh h HIS 232 Ca 0.14 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.47 2gwh h HIS 232 Cb 0.17 0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.85 2gwh h HIS 232 CO -0.20 -0.46 -0.11 1.88 -0.00 0.00 0.00 177.93 179.04 2gwh h TYR 233 N -0.77 0.00 -0.72 5.26 -1.99 -0.91 -2.65 116.97 115.19 2gwh h TYR 233 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2gwh h TYR 233 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.34 2gwh h TYR 233 CO -0.07 0.11 0.00 0.25 -0.00 0.00 0.00 178.16 178.45 2gwh n THR 234 N -3.43 0.97 -2.33 -2.88 -2.24 -0.20 -4.01 114.28 100.15 2gwh n THR 234 Ca -0.01 -0.98 -0.36 0.00 -2.27 0.00 0.00 64.05 60.43 2gwh n THR 234 Cb 0.27 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 2gwh n THR 234 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2gwh s SER 235 N -1.03 6.08 0.21 3.42 1.04 -1.00 -4.82 113.70 117.59 2gwh s SER 235 Ca 0.49 2.17 -0.10 0.00 0.48 0.00 0.00 55.95 58.99 2gwh s SER 235 Cb 0.26 -2.59 0.29 0.00 0.10 0.00 0.00 66.02 64.08 2gwh s SER 235 CO 0.34 -0.97 1.71 0.15 0.98 0.00 0.00 173.24 175.44 2gwh h PHE 236 N 1.68 0.22 -0.23 5.02 3.57 -1.92 -0.24 116.94 125.03 2gwh h PHE 236 Ca -0.50 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 2gwh h PHE 236 Cb 1.25 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2gwh h PHE 236 CO 0.53 -0.02 -0.04 -0.44 -2.23 0.00 0.00 178.31 176.12 2gwh h ASP 237 N 0.27 0.33 0.01 0.41 3.32 -1.94 0.42 116.42 119.24 2gwh h ASP 237 Ca 0.31 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2gwh h ASP 237 Cb 0.46 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2gwh h ASP 237 CO -0.39 0.42 -0.00 0.58 -1.72 0.00 0.00 179.24 178.12 2gwh h VAL 238 N 0.34 1.57 -0.75 -1.35 2.07 -1.66 -3.31 116.25 113.15 2gwh h VAL 238 Ca 0.08 -1.87 0.03 0.00 0.82 0.00 0.00 66.70 65.76 2gwh h VAL 238 Cb 0.30 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 2gwh h VAL 238 CO 0.01 0.47 0.50 0.24 0.02 0.00 0.00 177.57 178.81 2gwh h MET 239 N -0.83 0.89 -0.38 1.57 2.86 -0.97 -2.25 114.93 115.80 2gwh h MET 239 Ca -0.00 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2gwh h MET 239 Cb 0.79 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2gwh h MET 239 CO 0.00 0.59 0.26 -0.22 1.06 0.00 0.00 176.91 178.60 2gwh h LYS 240 N 0.92 0.31 -0.01 1.72 3.64 -1.03 -1.62 116.57 120.50 2gwh h LYS 240 Ca 0.30 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2gwh h LYS 240 Cb 0.06 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2gwh h LYS 240 CO -0.09 0.21 -0.17 1.04 -2.27 0.00 0.00 179.45 178.17 2gwh n GLN 241 N -4.48 0.97 -3.08 1.90 1.13 -0.87 -4.84 117.38 108.12 2gwh n GLN 241 Ca 0.04 -0.52 -0.43 0.00 -1.94 0.00 0.00 57.00 54.16 2gwh n GLN 241 Cb 0.22 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.02 2gwh n GLN 241 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2gwh s ASN 242 N -2.38 6.30 0.26 1.08 3.84 -0.61 -4.92 114.94 118.50 2gwh s ASN 242 Ca 0.29 -0.48 0.21 0.00 0.21 0.00 0.00 52.86 53.09 2gwh s ASN 242 Cb 0.20 -2.33 0.99 0.00 -0.55 0.00 0.00 41.25 39.56 2gwh s ASN 242 CO 0.47 -0.87 1.64 -0.81 -2.79 0.00 0.00 177.10 174.74 2gwh n PRO 243 N 6.42 0.15 0.00 0.43 -0.04 -1.26 -1.10 135.00 139.60 2gwh n PRO 243 Ca -0.02 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 2gwh n PRO 243 Cb 0.47 -1.87 0.52 0.00 -0.04 0.00 0.00 33.50 32.58 2gwh n PRO 243 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2gwh n MET 244 N -2.17 1.49 0.00 0.54 2.81 -1.26 -4.41 117.12 114.12 2gwh n MET 244 Ca 0.01 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.06 2gwh n MET 244 Cb 0.14 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2gwh n MET 244 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gwh n ALA 245 N -0.02 0.70 -0.17 3.04 0.00 -0.26 -1.25 120.51 122.55 2gwh n ALA 245 Ca 0.18 -0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.43 2gwh n ALA 245 Cb 0.34 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.91 2gwh n ALA 245 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2gwh n ASN 246 N -0.03 2.73 -1.03 0.00 0.23 -0.86 -4.90 115.26 111.41 2gwh n ASN 246 Ca 0.00 -2.04 -0.13 0.00 -0.53 0.00 0.00 54.58 51.88 2gwh n ASN 246 Cb 0.26 -0.19 -0.06 0.00 -2.08 0.00 0.00 39.78 37.72 2gwh n ASN 246 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2gwh n TYR 247 N 0.23 0.00 0.27 -2.53 4.02 -1.26 -4.40 117.16 113.48 2gwh n TYR 247 Ca 0.09 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.11 2gwh n TYR 247 Cb 0.40 -2.85 0.74 0.00 -0.02 0.00 0.00 39.34 37.61 2gwh n TYR 247 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2gwh h SER 248 N 0.00 0.00 0.37 7.72 4.64 -1.92 -2.98 113.55 121.39 2gwh h SER 248 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2gwh h SER 248 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2gwh h SER 248 CO 0.40 0.11 -0.08 -1.54 -0.87 0.00 0.00 176.83 174.85 2gwh n SER 249 N -3.66 0.37 -4.75 4.97 3.41 -1.26 -4.86 113.62 107.83 2gwh n SER 249 Ca -0.02 -0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 57.64 2gwh n SER 249 Cb 0.23 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2gwh n SER 249 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2gwh s ILE 250 N -2.45 3.07 0.23 -1.33 -1.09 -1.13 -4.94 121.20 113.56 2gwh s ILE 250 Ca 0.30 0.98 -0.30 0.00 -2.23 0.00 0.00 60.65 59.40 2gwh s ILE 250 Cb 0.20 -3.62 -0.15 0.00 -1.58 0.00 0.00 42.46 37.31 2gwh s ILE 250 CO 0.46 0.19 0.95 -2.65 -1.23 0.00 0.00 174.94 172.67 2gwh n PRO 251 N 1.73 0.97 0.27 2.79 -0.02 -1.26 -4.74 135.00 134.74 2gwh n PRO 251 Ca 0.03 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2gwh n PRO 251 Cb 0.43 -1.67 0.77 0.00 -0.02 0.00 0.00 33.50 33.00 2gwh n PRO 251 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gwh h ALA 252 N 2.20 1.41 0.00 3.55 0.00 -1.93 -1.51 119.26 122.98 2gwh h ALA 252 Ca -0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2gwh h ALA 252 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2gwh h ALA 252 CO 0.63 0.11 0.00 1.05 0.00 0.00 0.00 179.25 181.03 2gwh h GLU 253 N 0.00 0.00 0.00 0.00 -0.00 -2.01 -3.31 114.58 109.27 2gwh h GLU 253 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 59.19 2gwh h GLU 253 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.94 2gwh h GLU 253 CO 0.01 0.00 -1.43 -0.89 -0.00 0.00 0.00 179.01 176.70 2gwh n ILE 254 N -2.41 1.25 -4.02 -1.06 5.41 -0.62 -4.77 119.36 113.15 2gwh n ILE 254 Ca 0.01 -0.04 -0.34 0.00 1.00 0.00 0.00 62.75 63.38 2gwh n ILE 254 Cb 0.19 -1.95 -0.15 0.00 -0.71 0.00 0.00 39.64 37.02 2gwh n ILE 254 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 2gwh s MET 255 N -2.50 2.78 -0.54 0.38 -1.94 -0.90 -0.72 119.30 115.87 2gwh s MET 255 Ca -0.24 -1.00 -0.15 0.00 -1.71 0.00 0.00 55.69 52.59 2gwh s MET 255 Cb 0.07 -2.86 0.13 0.00 2.01 0.00 0.00 34.83 34.18 2gwh s MET 255 CO 0.33 -0.37 0.48 0.34 -0.01 0.00 0.00 175.02 175.79 2gwh s ASP 256 N 1.28 6.12 0.13 3.03 -1.08 -0.70 -4.43 116.67 121.02 2gwh s ASP 256 Ca -0.00 -1.84 0.20 0.00 -0.52 0.00 0.00 52.55 50.39 2gwh s ASP 256 Cb -0.16 -2.18 0.83 0.00 -1.46 0.00 0.00 42.92 39.95 2gwh s ASP 256 CO -0.07 -0.82 1.62 1.41 0.52 0.00 0.00 175.17 177.83 2gwh n HIS 257 N 5.15 0.42 0.21 -5.34 8.25 -1.26 -1.98 115.22 120.68 2gwh n HIS 257 Ca -0.12 0.16 0.10 0.00 -0.26 0.00 0.00 57.72 57.60 2gwh n HIS 257 Cb 0.40 -0.76 0.26 0.00 1.12 0.00 0.00 29.99 31.01 2gwh n HIS 257 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2gwh h SER 258 N 0.00 0.00 0.04 0.41 4.64 -1.98 -2.84 113.55 113.82 2gwh h SER 258 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gwh h SER 258 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2gwh h SER 258 CO 0.00 0.15 -0.02 0.40 -0.87 0.00 0.00 176.83 176.50 2gwh h ILE 259 N 0.00 1.33 -2.06 0.95 2.04 -1.79 -3.46 117.51 114.51 2gwh h ILE 259 Ca -0.00 -1.72 0.01 0.00 1.00 0.00 0.00 64.86 64.15 2gwh h ILE 259 Cb 0.98 2.39 -0.21 0.00 -0.74 0.00 0.00 36.82 39.23 2gwh h ILE 259 CO 0.02 0.40 -0.03 -0.55 0.00 0.00 0.00 178.15 178.00 2gwh s SER 260 N -5.89 -0.92 0.52 1.72 0.15 -1.20 -4.95 113.70 103.11 2gwh s SER 260 Ca -0.15 1.46 -0.19 0.00 0.70 0.00 0.00 55.95 57.77 2gwh s SER 260 Cb -0.01 1.43 -0.07 0.00 -1.71 0.00 0.00 66.02 65.66 2gwh s SER 260 CO 0.57 -0.23 1.07 -2.84 1.20 0.00 0.00 173.24 173.00 2gwh s PRO 261 N 1.76 3.61 0.15 5.44 0.02 -1.07 -4.24 135.00 140.66 2gwh s PRO 261 Ca -0.09 1.41 -0.16 0.00 0.02 0.00 0.00 61.00 62.18 2gwh s PRO 261 Cb -0.06 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.41 2gwh s PRO 261 CO -0.19 -0.60 1.81 0.35 -0.33 0.00 0.00 177.00 178.03 2gwh h PHE 262 N 1.31 0.46 -1.22 6.54 3.57 -1.88 -3.18 116.94 122.55 2gwh h PHE 262 Ca -0.49 0.01 -0.70 0.00 3.53 0.00 0.00 57.97 60.32 2gwh h PHE 262 Cb 1.23 -0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.71 2gwh h PHE 262 CO 0.55 0.29 2.01 -1.33 -2.23 0.00 0.00 178.31 177.60 2gwh n MET 263 N -4.84 3.24 -0.01 1.11 2.81 -1.26 -4.84 117.12 113.33 2gwh n MET 263 Ca 0.00 -3.41 -0.00 0.00 -1.81 0.00 0.00 57.70 52.48 2gwh n MET 263 Cb 0.03 -3.32 -0.00 0.00 -0.71 0.00 0.00 33.22 29.23 2gwh n MET 263 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2gwh h ARG 264 N 7.23 0.00 0.00 0.03 2.43 -1.96 -3.46 114.38 118.65 2gwh h ARG 264 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 2gwh h ARG 264 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2gwh h ARG 264 CO 1.44 0.00 -0.53 1.63 -1.51 0.00 0.00 179.97 181.00 2gwh n LYS 265 N -2.57 0.19 -2.18 0.20 5.02 -1.26 -4.95 118.16 112.61 2gwh n LYS 265 Ca -0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2gwh n LYS 265 Cb 0.00 -0.76 -0.01 0.00 -0.02 0.00 0.00 35.03 34.23 2gwh n LYS 265 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gwh n GLY 266 N 2.49 -0.03 3.70 0.72 0.00 -1.26 -5.00 105.19 105.81 2gwh n GLY 266 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 2gwh n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gwh s ALA 267 N -2.70 3.35 -0.16 4.61 0.00 -1.26 -4.96 121.76 120.64 2gwh s ALA 267 Ca 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 51.96 50.13 2gwh s ALA 267 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 2gwh s ALA 267 CO 0.00 0.13 0.12 0.08 0.00 0.00 0.00 175.76 176.09 2gwh s VAL 268 N -2.38 5.30 0.00 0.00 1.01 -1.26 -4.58 120.40 118.49 2gwh s VAL 268 Ca 0.35 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2gwh s VAL 268 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2gwh s VAL 268 CO 0.21 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.45 2gwh n GLY 269 N 2.83 0.72 0.33 4.51 0.00 -1.26 -4.95 105.19 107.37 2gwh n GLY 269 Ca -0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.03 2gwh n GLY 269 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2gwh h ASP 270 N 0.00 0.00 -0.33 1.61 3.58 -1.97 -2.46 116.42 116.85 2gwh h ASP 270 Ca 0.00 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.50 2gwh h ASP 270 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2gwh h ASP 270 CO 0.00 0.00 0.23 4.11 -2.88 0.00 0.00 179.24 180.70 2gwh h TRP 271 N 0.00 0.22 0.00 0.28 5.08 -1.91 -2.43 115.95 117.20 2gwh h TRP 271 Ca 0.03 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 60.01 2gwh h TRP 271 Cb 0.33 -0.07 -0.00 0.00 -3.00 0.00 0.00 29.16 26.41 2gwh h TRP 271 CO 0.00 0.12 -0.00 0.87 -1.28 0.00 0.00 178.44 178.15 2gwh h LYS 272 N 0.23 0.00 0.00 0.12 1.57 -1.77 0.00 116.57 116.72 2gwh h LYS 272 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2gwh h LYS 272 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2gwh h LYS 272 CO -0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.49 2gwh n LYS 273 N -4.24 0.02 -0.05 3.15 5.02 -0.91 -4.24 118.16 116.91 2gwh n LYS 273 Ca -0.03 0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2gwh n LYS 273 Cb 0.09 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 2gwh n LYS 273 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2gwh n HIS 274 N -1.57 0.00 -2.19 2.13 8.25 -0.24 -5.00 115.22 116.59 2gwh n HIS 274 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 2gwh n HIS 274 Cb 0.33 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 2gwh n HIS 274 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2gwh s PHE 275 N -2.18 3.26 0.72 4.41 0.40 -0.18 -5.03 117.98 119.38 2gwh s PHE 275 Ca -0.13 0.98 -0.11 0.00 -0.60 0.00 0.00 56.93 57.07 2gwh s PHE 275 Cb 0.04 -3.66 0.02 0.00 0.51 0.00 0.00 43.02 39.94 2gwh s PHE 275 CO 0.18 -2.28 1.07 0.95 0.70 0.00 0.00 175.22 175.84 2gwh s THR 276 N 1.12 3.79 0.29 0.64 -4.23 -1.26 -4.87 115.64 111.11 2gwh s THR 276 Ca 0.64 0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 61.72 2gwh s THR 276 Cb -0.36 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.37 2gwh s THR 276 CO 0.30 -0.76 1.94 0.58 -0.54 0.00 0.00 174.62 176.15 2gwh h VAL 277 N -0.77 1.17 -0.19 2.29 2.07 -1.97 -0.46 116.25 118.38 2gwh h VAL 277 Ca -0.45 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2gwh h VAL 277 Cb 1.23 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2gwh h VAL 277 CO 0.59 0.20 0.11 0.00 0.02 0.00 0.00 177.57 178.49 2gwh h ALA 278 N 1.48 0.24 -0.77 1.67 0.00 -1.99 0.18 119.26 120.08 2gwh h ALA 278 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2gwh h ALA 278 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2gwh h ALA 278 CO -0.10 -0.24 0.50 1.96 0.00 0.00 0.00 179.25 181.38 2gwh h GLN 279 N 0.22 0.99 -0.25 0.00 4.20 -1.86 -0.41 115.11 118.01 2gwh h GLN 279 Ca 0.07 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2gwh h GLN 279 Cb 0.03 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2gwh h GLN 279 CO -0.01 0.65 0.16 -0.97 -0.67 0.00 0.00 178.83 177.99 2gwh h ASN 280 N 1.02 0.29 -0.43 1.46 -1.24 -0.69 0.17 115.58 116.16 2gwh h ASN 280 Ca 0.29 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.24 2gwh h ASN 280 Cb -0.09 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 2gwh h ASN 280 CO -0.07 0.24 0.18 -0.33 -1.29 0.00 0.00 177.43 176.15 2gwh h GLU 281 N 0.32 0.64 -0.78 6.67 5.08 -0.75 -0.59 114.58 125.17 2gwh h GLU 281 Ca 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2gwh h GLU 281 Cb -0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2gwh h GLU 281 CO -0.02 0.59 0.45 -0.09 -1.00 0.00 0.00 179.01 178.93 2gwh h ARG 282 N 0.55 1.07 -0.32 2.33 2.43 -0.90 -1.63 114.38 117.91 2gwh h ARG 282 Ca 0.14 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2gwh h ARG 282 Cb 0.18 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2gwh h ARG 282 CO -0.01 0.78 0.16 0.35 -1.51 0.00 0.00 179.97 179.74 2gwh h PHE 283 N 1.07 0.46 -0.69 2.20 3.57 -0.32 -1.30 116.94 121.93 2gwh h PHE 283 Ca 0.28 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2gwh h PHE 283 Cb 0.00 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2gwh h PHE 283 CO -0.00 0.40 0.20 -0.44 -2.23 0.00 0.00 178.31 176.23 2gwh h ASP 284 N 0.38 1.02 -0.00 0.41 3.32 -0.95 0.65 116.42 121.25 2gwh h ASP 284 Ca 0.11 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2gwh h ASP 284 Cb 0.11 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 2gwh h ASP 284 CO -0.01 0.97 0.00 -0.08 -1.72 0.00 0.00 179.24 178.40 2gwh h GLU 285 N 1.02 0.00 -0.85 3.56 4.57 -1.12 -2.04 114.58 119.73 2gwh h GLU 285 Ca 0.22 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 2gwh h GLU 285 Cb 0.33 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 2gwh h GLU 285 CO -0.00 0.11 0.56 0.22 -1.18 0.00 0.00 179.01 178.72 2gwh h ASP 286 N -0.11 0.93 0.05 1.04 3.58 -1.04 -2.71 116.42 118.15 2gwh h ASP 286 Ca 0.00 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2gwh h ASP 286 Cb 0.11 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2gwh h ASP 286 CO -0.00 0.64 -0.02 0.22 -2.88 0.00 0.00 179.24 177.20 2gwh h TYR 287 N 1.08 -0.06 -0.57 0.28 3.20 -0.61 -2.67 116.97 117.61 2gwh h TYR 287 Ca 0.33 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.27 2gwh h TYR 287 Cb -0.00 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 2gwh h TYR 287 CO -0.00 0.06 0.38 0.87 -1.64 0.00 0.00 178.16 177.83 2gwh h LYS 288 N -0.17 0.50 -0.30 1.82 1.57 -1.06 0.13 116.57 119.05 2gwh h LYS 288 Ca -0.01 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 2gwh h LYS 288 Cb 0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2gwh h LYS 288 CO 0.01 0.33 -0.25 0.87 -0.57 0.00 0.00 179.45 179.84 2gwh h LYS 289 N 0.52 0.70 0.00 3.15 1.57 -1.36 -3.30 116.57 117.85 2gwh h LYS 289 Ca 0.25 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 2gwh h LYS 289 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2gwh h LYS 289 CO -0.07 0.96 -0.65 0.87 -0.57 0.00 0.00 179.45 180.00 2gwh h LYS 290 N 0.45 0.00 -5.68 3.15 1.57 -0.93 -3.52 116.57 111.61 2gwh h LYS 290 Ca 0.05 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.22 2gwh h LYS 290 Cb 0.81 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.02 2gwh h LYS 290 CO 0.06 0.41 -0.51 -1.64 -0.57 0.00 0.00 179.45 177.20 2gwh s MET 291 N -2.98 2.14 0.00 3.15 -1.94 0.35 -5.02 119.30 115.00 2gwh s MET 291 Ca 0.03 -2.07 0.00 0.00 -1.71 0.00 0.00 55.69 51.94 2gwh s MET 291 Cb 0.08 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 35.13 2gwh s MET 291 CO 0.75 -0.20 0.00 -2.37 -0.01 0.00 0.00 175.02 173.20 2gwh n THR 294 N -1.21 0.00 0.26 2.05 5.66 -1.26 -5.04 114.28 114.74 2gwh n THR 294 Ca -0.06 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.09 2gwh n THR 294 Cb 0.66 0.00 0.58 0.00 -1.55 0.00 0.00 70.33 70.02 2gwh n THR 294 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2gwh h ARG 295 N 0.00 0.00 -0.97 1.09 3.08 -2.03 -3.14 114.38 112.41 2gwh h ARG 295 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 2gwh h ARG 295 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 2gwh h ARG 295 CO 0.00 0.03 0.61 1.25 -1.07 0.00 0.00 179.97 180.79 2gwh h LEU 296 N 0.00 0.78 -1.24 3.04 5.85 -2.00 -2.42 115.31 119.33 2gwh h LEU 296 Ca -0.00 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.92 2gwh h LEU 296 Cb 0.62 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 2gwh h LEU 296 CO 0.00 0.38 0.59 0.74 -0.34 0.00 0.00 178.44 179.80 2gwh h THR 297 N 0.82 0.84 0.00 1.05 2.02 -1.94 -1.59 112.91 114.10 2gwh h THR 297 Ca 0.50 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2gwh h THR 297 Cb 0.69 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2gwh h THR 297 CO -0.27 0.13 0.00 -0.26 0.37 0.00 0.00 175.52 175.49 2gwh h PHE 298 N 0.73 0.00 -0.01 3.16 0.05 -1.65 -1.93 116.94 117.30 2gwh h PHE 298 Ca 0.46 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.25 2gwh h PHE 298 Cb 0.71 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.66 2gwh h PHE 298 CO -0.00 0.00 -0.27 0.72 -0.18 0.00 0.00 178.31 178.58 2gwh n HIS 299 N -2.62 0.00 -4.35 -0.55 8.25 -0.60 -4.85 115.22 110.51 2gwh n HIS 299 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 2gwh n HIS 299 Cb 0.07 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 30.93 2gwh n HIS 299 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2gwh s PHE 300 N -2.57 2.92 -0.30 4.41 2.99 -0.73 -4.99 117.98 119.72 2gwh s PHE 300 Ca 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 56.93 57.02 2gwh s PHE 300 Cb 0.19 -1.59 -0.03 0.00 0.00 0.00 0.00 43.02 41.60 2gwh s PHE 300 CO 0.54 0.41 0.17 -1.14 -0.00 0.00 0.00 175.22 175.20 2gwh s GLN 301 N -1.69 3.64 0.00 0.44 -0.44 -1.26 -5.02 119.66 115.34 2gwh s GLN 301 Ca 0.19 -0.52 0.28 0.00 -2.50 0.00 0.00 55.36 52.81 2gwh s GLN 301 Cb -0.11 -3.61 0.96 0.00 -1.64 0.00 0.00 33.01 28.61 2gwh s GLN 301 CO 0.11 -0.30 1.70 1.19 0.50 0.00 0.00 175.29 178.48