#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pgh s ASN 34 N 0.00 6.53 0.00 0.00 3.84 -1.26 -4.71 114.94 119.34 3pgh s ASN 34 Ca 0.00 2.52 0.05 0.00 0.21 0.00 0.00 52.86 55.64 3pgh s ASN 34 Cb 0.00 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.42 3pgh s ASN 34 CO 0.00 -1.00 0.89 -0.81 -2.79 0.00 0.00 177.10 173.39 3pgh n PRO 35 N 7.20 0.10 0.00 0.43 -0.04 -1.26 -0.63 135.00 140.79 3pgh n PRO 35 Ca 0.19 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 3pgh n PRO 35 Cb 0.41 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3pgh n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3pgh n SER 38 N -4.65 0.00 -4.03 0.00 3.41 -1.26 -3.70 113.62 103.38 3pgh n SER 38 Ca 0.23 -0.47 -0.27 0.00 -0.26 0.00 0.00 58.87 58.10 3pgh n SER 38 Cb 0.69 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.60 3pgh n SER 38 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3pgh n ASN 39 N -0.91 -0.07 0.23 4.04 3.02 0.15 -4.86 115.26 116.85 3pgh n ASN 39 Ca 0.08 -1.06 0.16 0.00 -0.03 0.00 0.00 54.58 53.72 3pgh n ASN 39 Cb 0.04 -2.74 0.72 0.00 -0.61 0.00 0.00 39.78 37.18 3pgh n ASN 39 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3pgh h PRO 40 N -1.82 0.00 -5.70 3.52 0.13 -1.89 -3.44 132.00 122.80 3pgh h PRO 40 Ca -0.64 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 63.90 3pgh h PRO 40 Cb 1.38 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.42 3pgh h PRO 40 CO 0.64 0.00 0.32 0.00 -0.23 0.00 0.00 178.00 178.73 3pgh s GLN 42 N 2.54 2.48 -1.01 0.00 1.11 0.15 -4.49 119.66 120.45 3pgh s GLN 42 Ca 0.32 -0.91 -0.04 0.00 0.01 0.00 0.00 55.36 54.74 3pgh s GLN 42 Cb -0.16 -2.51 0.03 0.00 -1.01 0.00 0.00 33.01 29.36 3pgh s GLN 42 CO 0.09 -0.74 0.18 0.09 0.01 0.00 0.00 175.29 174.92 3pgh n ASN 43 N -2.33 -3.45 0.00 5.90 3.02 -1.26 -1.42 115.26 115.72 3pgh n ASN 43 Ca 0.09 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3pgh n ASN 43 Cb 0.60 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 3pgh n ASN 43 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3pgh n ARG 44 N -3.11 0.00 -1.32 3.52 0.63 -1.26 -4.75 116.66 110.37 3pgh n ARG 44 Ca -0.08 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.52 3pgh n ARG 44 Cb 0.57 -1.96 0.10 0.00 0.45 0.00 0.00 32.46 31.62 3pgh n ARG 44 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3pgh s GLY 45 N -1.79 2.23 -0.09 5.14 0.00 -0.51 -4.99 107.32 107.31 3pgh s GLY 45 Ca 0.00 0.82 -0.07 0.00 0.00 0.00 0.00 44.72 45.46 3pgh s GLY 45 CO 0.00 1.22 0.18 -0.54 0.00 0.00 0.00 173.10 173.96 3pgh s GLU 46 N -4.06 3.50 -0.12 2.90 2.02 -1.01 -4.64 118.70 117.29 3pgh s GLU 46 Ca 0.73 -0.09 -0.15 0.00 0.02 0.00 0.00 54.97 55.48 3pgh s GLU 46 Cb -0.28 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 3pgh s GLU 46 CO 0.48 0.76 0.35 0.00 0.02 0.00 0.00 175.26 176.86 3pgh s MET 48 N 0.20 1.51 -0.09 0.00 0.00 0.22 -4.95 119.30 116.20 3pgh s MET 48 Ca 0.20 -0.43 -0.27 0.00 0.00 0.00 0.00 55.69 55.19 3pgh s MET 48 Cb -0.14 -1.30 -0.02 0.00 0.00 0.00 0.00 34.83 33.36 3pgh s MET 48 CO 0.07 0.11 0.88 -1.54 0.00 0.00 0.00 175.02 174.53 3pgh s SER 49 N 0.37 7.13 -0.37 1.11 1.04 -1.26 0.13 113.70 121.86 3pgh s SER 49 Ca -0.08 1.38 0.06 0.00 0.48 0.00 0.00 55.95 57.79 3pgh s SER 49 Cb -0.13 -2.50 0.44 0.00 0.10 0.00 0.00 66.02 63.94 3pgh s SER 49 CO 0.02 -0.30 1.17 0.35 0.98 0.00 0.00 173.24 175.46 3pgh n THR 50 N 4.24 2.47 0.00 2.02 -2.24 -0.89 -4.91 114.28 114.97 3pgh n THR 50 Ca 0.04 -4.54 0.00 0.00 -2.27 0.00 0.00 64.05 57.28 3pgh n THR 50 Cb 0.50 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 3pgh n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pgh n GLY 51 N -0.61 -1.68 0.00 3.38 0.00 -1.21 -4.76 105.19 100.31 3pgh n GLY 51 Ca 0.42 0.59 0.00 0.00 0.00 0.00 0.00 46.02 47.03 3pgh n GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3pgh n PHE 52 N 0.00 0.00 -2.03 1.61 3.72 -1.26 -4.83 117.46 114.67 3pgh n PHE 52 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3pgh n PHE 52 Cb 0.00 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.61 3pgh n PHE 52 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3pgh n ASP 53 N 0.00 1.08 -4.00 4.37 8.00 -1.26 -4.16 116.55 120.58 3pgh n ASP 53 Ca 0.00 -2.54 -0.13 0.00 0.71 0.00 0.00 54.79 52.83 3pgh n ASP 53 Cb 0.00 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.63 3pgh n ASP 53 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3pgh s GLN 54 N -1.03 0.41 0.04 -1.24 1.11 -1.26 -4.94 119.66 112.74 3pgh s GLN 54 Ca 0.27 -0.46 0.01 0.00 0.01 0.00 0.00 55.36 55.18 3pgh s GLN 54 Cb 0.28 -0.25 -0.00 0.00 -1.01 0.00 0.00 33.01 32.03 3pgh s GLN 54 CO -0.09 0.05 0.02 2.48 0.01 0.00 0.00 175.29 177.77 3pgh n TYR 55 N 2.16 -0.04 -3.64 0.91 4.11 -1.26 -2.10 117.16 117.29 3pgh n TYR 55 Ca -0.18 -0.28 -0.10 0.00 -0.00 0.00 0.00 57.90 57.33 3pgh n TYR 55 Cb 0.56 0.02 -0.07 0.00 -0.00 0.00 0.00 39.34 39.85 3pgh n TYR 55 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 3pgh s LYS 56 N -2.15 0.60 -0.21 -3.48 2.36 0.36 -4.54 119.74 112.67 3pgh s LYS 56 Ca 0.03 0.72 -0.08 0.00 -2.55 0.00 0.00 55.97 54.09 3pgh s LYS 56 Cb 0.00 0.29 -0.04 0.00 -1.05 0.00 0.00 37.83 37.03 3pgh s LYS 56 CO 0.02 -0.07 0.09 0.00 1.55 0.00 0.00 175.35 176.94 3pgh s ASP 58 N 0.84 6.85 0.00 0.00 -1.08 0.13 -4.84 116.67 118.56 3pgh s ASP 58 Ca 0.05 -2.55 0.00 0.00 -0.52 0.00 0.00 52.55 49.53 3pgh s ASP 58 Cb -0.13 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 3pgh s ASP 58 CO 0.02 -0.85 0.79 0.00 0.52 0.00 0.00 175.17 175.65 3pgh s THR 60 N 0.09 2.78 0.00 0.00 2.01 -1.26 -2.24 115.64 117.02 3pgh s THR 60 Ca 0.00 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3pgh s THR 60 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.26 3pgh s THR 60 CO 0.00 0.01 0.00 0.54 -0.69 0.00 0.00 174.62 174.48 3pgh n ARG 61 N 5.01 -0.96 0.24 4.92 1.74 -1.26 -4.80 116.66 121.56 3pgh n ARG 61 Ca 0.15 0.24 0.11 0.00 -0.77 0.00 0.00 57.85 57.58 3pgh n ARG 61 Cb 0.39 -4.69 0.59 0.00 -1.02 0.00 0.00 32.46 27.73 3pgh n ARG 61 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3pgh h THR 62 N 0.00 0.63 0.00 0.55 1.35 -1.74 -3.45 112.91 110.25 3pgh h THR 62 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3pgh h THR 62 Cb 0.48 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3pgh h THR 62 CO 0.00 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 3pgh n GLY 63 N -0.36 0.77 3.04 5.82 0.00 -1.26 -4.97 105.19 108.23 3pgh n GLY 63 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 3pgh n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3pgh s PHE 64 N -2.26 0.51 0.00 1.61 0.40 -1.26 -1.67 117.98 115.31 3pgh s PHE 64 Ca 0.00 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 3pgh s PHE 64 Cb 0.00 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.20 3pgh s PHE 64 CO 0.00 -0.15 0.00 2.48 0.70 0.00 0.00 175.22 178.25 3pgh n TYR 65 N 1.29 0.00 0.00 0.36 4.11 0.41 -4.77 117.16 118.56 3pgh n TYR 65 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.68 3pgh n TYR 65 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 3pgh n TYR 65 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3pgh n GLY 66 N 4.33 -0.11 0.39 -7.48 0.00 -1.26 -1.56 105.19 99.51 3pgh n GLY 66 Ca 0.00 -1.69 0.32 0.00 0.00 0.00 0.00 46.02 44.65 3pgh n GLY 66 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3pgh h GLU 67 N 0.00 0.12 0.00 1.61 4.81 -1.99 -1.34 114.58 117.78 3pgh h GLU 67 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3pgh h GLU 67 Cb 0.00 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3pgh h GLU 67 CO 0.00 0.08 -0.45 0.09 -0.73 0.00 0.00 179.01 178.00 3pgh n ASN 68 N -4.94 1.75 -3.72 1.04 3.02 -1.26 -4.28 115.26 106.87 3pgh n ASN 68 Ca 0.36 -3.63 -0.26 0.00 -0.03 0.00 0.00 54.58 51.02 3pgh n ASN 68 Cb 1.28 -0.49 0.06 0.00 -0.61 0.00 0.00 39.78 40.02 3pgh n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pgh n THR 70 N -4.86 1.37 -2.08 0.00 -2.24 -0.69 -4.09 114.28 101.69 3pgh n THR 70 Ca 0.01 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.96 3pgh n THR 70 Cb 0.55 -1.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.12 3pgh n THR 70 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3pgh s THR 71 N -2.47 3.51 0.68 4.28 -1.32 -0.60 -4.80 115.64 114.93 3pgh s THR 71 Ca -0.34 0.46 -0.17 0.00 -1.21 0.00 0.00 61.69 60.44 3pgh s THR 71 Cb 0.11 -3.86 0.01 0.00 -1.51 0.00 0.00 72.50 67.25 3pgh s THR 71 CO 0.49 -0.66 1.27 -2.16 -2.21 0.00 0.00 174.62 171.35 3pgh s PRO 72 N 6.00 2.34 0.43 7.08 0.04 -1.26 -0.45 135.00 149.19 3pgh s PRO 72 Ca 0.72 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 3pgh s PRO 72 Cb -0.17 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 3pgh s PRO 72 CO 0.29 -1.73 0.83 -1.21 0.04 0.00 0.00 177.00 175.21 3pgh s GLU 73 N -3.57 3.82 0.20 4.56 2.02 -0.67 -4.80 118.70 120.26 3pgh s GLU 73 Ca 0.80 0.59 -0.15 0.00 0.02 0.00 0.00 54.97 56.24 3pgh s GLU 73 Cb -0.35 -2.33 0.21 0.00 0.10 0.00 0.00 34.13 31.77 3pgh s GLU 73 CO 0.42 -0.10 1.62 0.35 0.02 0.00 0.00 175.26 177.58 3pgh h PHE 74 N 1.16 -0.39 -0.66 1.61 3.57 -1.95 1.00 116.94 121.27 3pgh h PHE 74 Ca -0.47 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.13 3pgh h PHE 74 Cb 1.19 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 3pgh h PHE 74 CO 0.61 -0.28 0.44 1.25 -2.23 0.00 0.00 178.31 178.10 3pgh h LEU 75 N -0.03 0.65 -0.10 0.59 5.85 -1.95 -1.25 115.31 119.08 3pgh h LEU 75 Ca 0.29 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.03 3pgh h LEU 75 Cb 0.46 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3pgh h LEU 75 CO -0.63 0.44 -0.07 0.74 -0.34 0.00 0.00 178.44 178.57 3pgh h THR 76 N 0.74 0.78 -0.79 1.05 2.02 -1.10 -1.45 112.91 114.16 3pgh h THR 76 Ca 0.27 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.58 3pgh h THR 76 Cb 0.15 0.78 -0.14 0.00 -1.74 0.00 0.00 68.15 67.21 3pgh h THR 76 CO -0.08 0.00 -0.37 0.03 0.37 0.00 0.00 175.52 175.47 3pgh h ARG 77 N -0.08 -0.08 0.25 6.66 3.08 -0.60 0.30 114.38 123.91 3pgh h ARG 77 Ca 0.06 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3pgh h ARG 77 Cb 0.17 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3pgh h ARG 77 CO -0.15 -0.06 -0.49 0.82 -1.07 0.00 0.00 179.97 179.02 3pgh h ILE 78 N -0.09 0.05 -0.37 2.04 1.08 -0.99 -1.51 117.51 117.72 3pgh h ILE 78 Ca 0.28 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.83 3pgh h ILE 78 Cb 0.57 0.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.29 3pgh h ILE 78 CO -0.83 0.00 -0.22 0.11 -0.69 0.00 0.00 178.15 176.51 3pgh h LYS 79 N -0.82 -0.16 -0.37 2.37 6.56 -0.71 -2.46 116.57 120.98 3pgh h LYS 79 Ca -0.02 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.66 3pgh h LYS 79 Cb 0.78 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.40 3pgh h LYS 79 CO -0.20 -0.11 -0.15 -0.07 -2.06 0.00 0.00 179.45 176.86 3pgh h LEU 80 N -0.17 -0.53 -5.19 2.94 3.38 -0.67 -1.46 115.31 113.62 3pgh h LEU 80 Ca 0.18 0.13 -0.67 0.00 0.09 0.00 0.00 57.88 57.61 3pgh h LEU 80 Cb 0.45 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3pgh h LEU 80 CO -0.47 -0.19 3.05 0.18 0.09 0.00 0.00 178.44 181.11 3pgh n LEU 81 N -5.34 8.31 0.00 1.67 4.77 -0.60 -2.87 117.00 122.93 3pgh n LEU 81 Ca 0.02 -4.51 0.00 0.00 -0.03 0.00 0.00 56.01 51.49 3pgh n LEU 81 Cb 0.25 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 3pgh n LEU 81 CO 0.14 2.05 0.00 -0.11 -1.33 0.00 0.00 177.39 178.14 3pgh n LEU 82 N 2.76 0.00 -4.57 2.23 7.94 -0.96 -4.92 117.00 119.49 3pgh n LEU 82 Ca 0.71 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 55.20 3pgh n LEU 82 Cb 0.27 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.14 3pgh n LEU 82 CO 0.75 0.00 0.21 -1.59 -1.11 0.00 0.00 177.39 175.64 3pgh s LYS 83 N 0.00 3.75 1.26 1.96 -2.85 -0.59 -5.07 119.74 118.20 3pgh s LYS 83 Ca 0.00 -0.05 -0.16 0.00 -1.00 0.00 0.00 55.97 54.75 3pgh s LYS 83 Cb 0.00 -3.76 0.31 0.00 -2.06 0.00 0.00 37.83 32.32 3pgh s LYS 83 CO 0.00 -0.54 1.00 -1.25 0.10 0.00 0.00 175.35 174.66 3pgh s PRO 84 N 2.33 -1.66 0.15 1.78 0.04 -1.26 -5.00 135.00 131.38 3pgh s PRO 84 Ca 0.18 0.52 0.02 0.00 0.04 0.00 0.00 61.00 61.77 3pgh s PRO 84 Cb -0.16 -1.49 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 3pgh s PRO 84 CO 0.12 -4.13 0.29 0.95 0.04 0.00 0.00 177.00 174.27 3pgh s THR 85 N -2.44 5.32 0.56 1.26 -4.23 -1.26 -4.90 115.64 109.95 3pgh s THR 85 Ca 0.68 -0.64 0.42 0.00 -1.18 0.00 0.00 61.69 60.97 3pgh s THR 85 Cb -0.20 -3.74 0.62 0.00 1.34 0.00 0.00 72.50 70.52 3pgh s THR 85 CO 0.62 -0.09 1.65 -0.65 -0.54 0.00 0.00 174.62 175.61 3pgh h PRO 86 N 2.16 0.00 0.12 3.99 0.11 -1.95 0.40 132.00 136.83 3pgh h PRO 86 Ca -0.48 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.32 3pgh h PRO 86 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3pgh h PRO 86 CO 0.69 0.00 -1.53 -0.91 -0.21 0.00 0.00 178.00 176.04 3pgh h ASN 87 N 0.00 0.40 -0.12 -2.05 2.35 -1.97 0.16 115.58 114.35 3pgh h ASN 87 Ca 0.71 -0.55 -0.23 0.00 -0.55 0.00 0.00 56.30 55.68 3pgh h ASN 87 Cb 2.98 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 41.23 3pgh h ASN 87 CO -0.01 1.46 -0.80 0.71 -1.65 0.00 0.00 177.43 177.14 3pgh h THR 88 N 0.07 1.28 0.38 2.81 1.35 -0.75 0.21 112.91 118.26 3pgh h THR 88 Ca -0.24 -2.00 -0.02 0.00 -0.55 0.00 0.00 66.41 63.60 3pgh h THR 88 Cb 2.02 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 3pgh h THR 88 CO 0.17 0.63 -0.18 0.58 -0.25 0.00 0.00 175.52 176.47 3pgh h VAL 89 N 0.52 0.63 -0.97 6.82 2.07 -0.75 -0.92 116.25 123.66 3pgh h VAL 89 Ca -0.06 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.58 3pgh h VAL 89 Cb 1.43 0.65 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 3pgh h VAL 89 CO 0.16 0.01 0.61 -0.74 0.02 0.00 0.00 177.57 177.63 3pgh h HIS 90 N -0.53 1.00 0.51 1.57 6.17 -0.57 -1.62 115.15 121.69 3pgh h HIS 90 Ca -0.05 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.04 3pgh h HIS 90 Cb 0.40 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 30.00 3pgh h HIS 90 CO -0.05 0.32 -0.48 -0.92 0.71 0.00 0.00 177.93 177.52 3pgh h TYR 91 N 0.80 -1.31 -0.61 5.26 5.03 0.73 0.42 116.97 127.28 3pgh h TYR 91 Ca 0.52 0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.94 3pgh h TYR 91 Cb 0.75 0.50 -0.09 0.00 1.55 0.00 0.00 36.73 39.45 3pgh h TYR 91 CO -0.00 -0.64 0.15 0.82 -1.32 0.00 0.00 178.16 177.17 3pgh h ILE 92 N -0.98 0.66 0.00 1.81 5.03 -0.45 0.26 117.51 123.84 3pgh h ILE 92 Ca -0.07 -0.10 -0.01 0.00 -0.12 0.00 0.00 64.86 64.56 3pgh h ILE 92 Cb 0.84 0.34 -0.00 0.00 -3.03 0.00 0.00 36.82 34.96 3pgh h ILE 92 CO -0.04 0.05 -0.07 -0.07 -0.68 0.00 0.00 178.15 177.35 3pgh h LEU 93 N 0.29 0.00 0.00 1.44 -0.00 -0.89 -2.60 115.31 113.55 3pgh h LEU 93 Ca 0.32 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 58.04 3pgh h LEU 93 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 3pgh h LEU 93 CO -0.39 0.07 -1.55 0.41 -0.00 0.00 0.00 178.44 176.98 3pgh n THR 94 N -3.87 1.06 -2.95 0.22 -1.04 0.38 -0.48 114.28 107.60 3pgh n THR 94 Ca -0.02 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 3pgh n THR 94 Cb 0.16 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 3pgh n THR 94 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3pgh n HIS 95 N -2.80 -0.67 -2.38 -1.42 8.25 0.65 -4.76 115.22 112.09 3pgh n HIS 95 Ca -0.11 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.18 3pgh n HIS 95 Cb 0.83 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.93 3pgh n HIS 95 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3pgh n PHE 96 N -0.22 -1.17 -0.27 4.41 3.72 -1.26 -4.84 117.46 117.83 3pgh n PHE 96 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 3pgh n PHE 96 Cb 0.00 -3.36 0.19 0.00 -0.94 0.00 0.00 39.48 35.37 3pgh n PHE 96 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3pgh n LYS 97 N -2.88 -0.06 -0.10 -1.08 4.81 -1.26 0.11 118.16 117.70 3pgh n LYS 97 Ca -0.20 1.18 -0.07 0.00 -0.87 0.00 0.00 58.31 58.35 3pgh n LYS 97 Cb 0.65 -1.83 0.01 0.00 0.02 0.00 0.00 35.03 33.87 3pgh n LYS 97 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3pgh h GLY 98 N 0.00 0.46 0.75 3.14 0.00 -1.99 0.14 103.07 105.57 3pgh h GLY 98 Ca 0.44 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.71 3pgh h GLY 98 CO -0.75 0.07 0.25 -2.08 0.00 0.00 0.00 176.54 174.02 3pgh h VAL 99 N 0.32 0.97 -0.77 4.60 2.07 0.44 -1.27 116.25 122.61 3pgh h VAL 99 Ca 0.15 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3pgh h VAL 99 Cb 0.09 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3pgh h VAL 99 CO -0.13 0.09 0.44 -0.50 0.02 0.00 0.00 177.57 177.50 3pgh h TRP 100 N 0.48 1.02 0.00 1.57 4.06 -0.74 0.75 115.95 123.10 3pgh h TRP 100 Ca 0.21 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 3pgh h TRP 100 Cb 0.11 -0.33 -0.00 0.00 -1.00 0.00 0.00 29.16 27.94 3pgh h TRP 100 CO -0.10 0.69 -0.05 -0.91 -3.56 0.00 0.00 178.44 174.51 3pgh h ASN 101 N 1.06 0.00 0.00 -3.49 4.21 0.41 0.44 115.58 118.21 3pgh h ASN 101 Ca 0.27 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.75 3pgh h ASN 101 Cb -0.01 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3pgh h ASN 101 CO -0.05 0.05 -0.17 0.40 -1.29 0.00 0.00 177.43 176.37 3pgh h ILE 102 N 0.00 1.47 -0.95 2.81 2.04 -0.39 -3.31 117.51 119.18 3pgh h ILE 102 Ca -0.00 -2.16 0.11 0.00 1.00 0.00 0.00 64.86 63.81 3pgh h ILE 102 Cb 0.25 2.83 -0.07 0.00 -0.74 0.00 0.00 36.82 39.09 3pgh h ILE 102 CO 0.01 0.50 0.60 0.58 0.00 0.00 0.00 178.15 179.84 3pgh h VAL 103 N -1.00 0.94 0.00 1.67 2.07 -0.36 0.10 116.25 119.67 3pgh h VAL 103 Ca -0.04 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3pgh h VAL 103 Cb 0.93 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3pgh h VAL 103 CO -0.03 0.17 0.00 0.59 0.02 0.00 0.00 177.57 178.32 3pgh n ASN 104 N -4.57 0.00 -0.55 0.57 4.13 0.15 -2.48 115.26 112.51 3pgh n ASN 104 Ca 0.17 0.45 0.06 0.00 1.68 0.00 0.00 54.58 56.95 3pgh n ASN 104 Cb 0.34 -0.48 0.07 0.00 -1.54 0.00 0.00 39.78 38.18 3pgh n ASN 104 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3pgh n ASN 105 N -1.48 2.23 -4.06 6.41 4.13 0.34 -4.77 115.26 118.06 3pgh n ASN 105 Ca 0.04 -1.61 -0.35 0.00 1.68 0.00 0.00 54.58 54.34 3pgh n ASN 105 Cb 0.16 -0.04 -0.10 0.00 -1.54 0.00 0.00 39.78 38.26 3pgh n ASN 105 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3pgh s ILE 105 N -1.06 3.58 0.16 2.41 1.01 -1.04 -4.99 121.20 121.27 3pgh s ILE 105 Ca 0.17 -3.29 -0.09 0.00 0.00 0.00 0.00 60.65 57.44 3pgh s ILE 105 Cb 0.11 -3.33 0.21 0.00 0.01 0.00 0.00 42.46 39.46 3pgh s ILE 105 CO 0.16 -0.91 1.01 -2.65 0.00 0.00 0.00 174.94 172.56 3pgh n PRO 106 N 3.10 -0.12 0.08 2.79 -0.02 -1.26 -0.84 135.00 138.73 3pgh n PRO 106 Ca 0.11 1.01 -0.14 0.00 -2.02 0.00 0.00 63.50 62.46 3pgh n PRO 106 Cb 0.36 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 3pgh n PRO 106 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3pgh h PHE 107 N 0.00 -1.13 -0.22 6.00 0.04 -1.94 0.81 116.94 120.50 3pgh h PHE 107 Ca 0.26 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.10 3pgh h PHE 107 Cb 0.42 0.49 -0.04 0.00 2.20 0.00 0.00 35.95 39.02 3pgh h PHE 107 CO -0.55 -0.49 -0.05 -0.07 -0.60 0.00 0.00 178.31 176.56 3pgh h LEU 108 N -0.59 -0.19 -0.50 1.54 3.38 -1.29 0.60 115.31 118.26 3pgh h LEU 108 Ca 0.04 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3pgh h LEU 108 Cb 0.65 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 3pgh h LEU 108 CO -0.28 -0.06 0.19 -0.09 0.09 0.00 0.00 178.44 178.29 3pgh h ARG 109 N 0.01 0.36 -0.55 1.13 2.43 -0.86 0.73 114.38 117.63 3pgh h ARG 109 Ca 0.11 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3pgh h ARG 109 Cb 0.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3pgh h ARG 109 CO -0.22 0.24 -0.02 0.77 -1.51 0.00 0.00 179.97 179.23 3pgh h SER 110 N 0.38 0.94 -0.59 -3.80 0.02 -0.32 0.15 113.55 110.32 3pgh h SER 110 Ca 0.24 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3pgh h SER 110 Cb 0.24 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3pgh h SER 110 CO -0.23 1.01 0.33 0.25 -1.14 0.00 0.00 176.83 177.04 3pgh h LEU 111 N 0.88 0.74 0.10 5.07 7.12 0.16 0.23 115.31 129.62 3pgh h LEU 111 Ca 0.16 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 3pgh h LEU 111 Cb 0.54 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 3pgh h LEU 111 CO 0.03 0.62 -0.05 0.40 -0.13 0.00 0.00 178.44 179.31 3pgh h ILE 112 N 0.80 1.09 -0.62 4.05 1.08 0.91 -2.97 117.51 121.85 3pgh h ILE 112 Ca 0.21 -1.24 0.09 0.00 -0.39 0.00 0.00 64.86 63.52 3pgh h ILE 112 Cb 0.04 1.81 -0.07 0.00 -3.07 0.00 0.00 36.82 35.54 3pgh h ILE 112 CO -0.03 0.28 0.25 -0.03 -0.69 0.00 0.00 178.15 177.93 3pgh h MET 113 N -0.77 0.44 -0.74 2.37 4.05 -0.70 0.11 114.93 119.68 3pgh h MET 113 Ca -0.01 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 3pgh h MET 113 Cb 0.56 -0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 31.19 3pgh h MET 113 CO 0.02 0.29 0.37 -0.22 0.23 0.00 0.00 176.91 177.61 3pgh h LYS 114 N 0.45 0.60 -0.10 0.39 3.64 -1.02 0.35 116.57 120.89 3pgh h LYS 114 Ca 0.31 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.42 3pgh h LYS 114 Cb 0.35 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3pgh h LYS 114 CO -0.29 0.40 -0.83 -0.92 -2.27 0.00 0.00 179.45 175.54 3pgh h TYR 115 N 0.62 0.96 -0.64 1.91 3.20 -0.89 0.08 116.97 122.22 3pgh h TYR 115 Ca 0.37 -0.45 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 3pgh h TYR 115 Cb 0.41 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3pgh h TYR 115 CO -0.10 1.27 0.22 -0.39 -1.64 0.00 0.00 178.16 177.51 3pgh h VAL 116 N 0.45 1.25 -0.60 1.81 -1.51 -0.01 -0.91 116.25 116.73 3pgh h VAL 116 Ca -0.07 -0.82 0.03 0.00 -1.23 0.00 0.00 66.70 64.61 3pgh h VAL 116 Cb 1.46 0.57 -0.04 0.00 -2.13 0.00 0.00 31.29 31.15 3pgh h VAL 116 CO 0.16 0.32 0.36 0.25 -1.23 0.00 0.00 177.57 177.43 3pgh h LEU 117 N 0.92 0.59 0.02 4.19 5.85 -0.21 -1.44 115.31 125.23 3pgh h LEU 117 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3pgh h LEU 117 Cb 0.27 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3pgh h LEU 117 CO -0.01 0.41 -0.01 0.71 -0.34 0.00 0.00 178.44 179.20 3pgh h THR 118 N 0.71 1.44 -0.97 1.05 1.35 -0.76 -3.03 112.91 112.70 3pgh h THR 118 Ca 0.24 -1.77 0.03 0.00 -0.55 0.00 0.00 66.41 64.36 3pgh h THR 118 Cb 0.03 2.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.97 3pgh h THR 118 CO -0.11 0.43 0.64 0.77 -0.25 0.00 0.00 175.52 177.01 3pgh h SER 119 N -0.84 1.08 0.78 5.36 4.64 -1.16 -1.65 113.55 121.76 3pgh h SER 119 Ca -0.00 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3pgh h SER 119 Cb 0.73 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3pgh h SER 119 CO 0.01 0.76 -0.37 -0.09 -0.87 0.00 0.00 176.83 176.26 3pgh h ARG 120 N 1.27 -1.01 -0.96 4.77 9.65 -1.39 -3.15 114.38 123.56 3pgh h ARG 120 Ca 0.38 0.07 0.18 0.00 -1.10 0.00 0.00 59.98 59.51 3pgh h ARG 120 Cb -0.06 0.23 -0.09 0.00 -1.39 0.00 0.00 29.97 28.66 3pgh h ARG 120 CO -0.10 -0.66 0.61 0.77 2.80 0.00 0.00 179.97 183.38 3pgh h SER 121 N -1.12 0.64 0.00 -3.80 0.02 -1.37 -1.55 113.55 106.38 3pgh h SER 121 Ca -0.11 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3pgh h SER 121 Cb 0.82 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3pgh h SER 121 CO 0.18 0.26 0.00 0.00 -1.14 0.00 0.00 176.83 176.13 3pgh n TYR 122 N -4.63 0.00 1.04 3.45 4.11 -0.64 -1.10 117.16 119.39 3pgh n TYR 122 Ca 0.21 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.23 3pgh n TYR 122 Cb 0.59 0.00 0.21 0.00 -0.00 0.00 0.00 39.34 40.14 3pgh n TYR 122 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3pgh n LEU 123 N -0.98 2.68 -4.22 -3.48 7.99 -0.58 -4.89 117.00 113.52 3pgh n LEU 123 Ca 0.04 -0.94 -0.33 0.00 -0.01 0.00 0.00 56.01 54.77 3pgh n LEU 123 Cb 0.02 -0.03 -0.16 0.00 -0.11 0.00 0.00 43.42 43.14 3pgh n LEU 123 CO 0.03 0.47 -0.51 -0.63 -1.51 0.00 0.00 177.39 175.24 3pgh s ILE 124 N -1.94 2.40 -0.22 -0.08 -1.09 -0.26 -5.01 121.20 115.00 3pgh s ILE 124 Ca 0.32 -0.86 -0.29 0.00 -2.23 0.00 0.00 60.65 57.59 3pgh s ILE 124 Cb 0.20 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.05 3pgh s ILE 124 CO 0.31 0.53 1.90 -1.81 -1.23 0.00 0.00 174.94 174.63 3pgh s ASP 125 N 0.86 5.96 -0.18 3.58 1.01 -1.26 -4.96 116.67 121.68 3pgh s ASP 125 Ca -0.05 1.73 -0.04 0.00 0.71 0.00 0.00 52.55 54.90 3pgh s ASP 125 Cb -0.15 -2.52 0.08 0.00 1.01 0.00 0.00 42.92 41.33 3pgh s ASP 125 CO -0.02 -1.58 0.19 -0.55 0.21 0.00 0.00 175.17 173.42 3pgh s SER 126 N 6.05 1.42 0.51 0.27 0.15 -1.26 -3.21 113.70 117.63 3pgh s SER 126 Ca 0.85 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 57.11 3pgh s SER 126 Cb -0.29 0.26 -0.08 0.00 -1.71 0.00 0.00 66.02 64.20 3pgh s SER 126 CO 0.34 -0.31 0.92 -2.65 1.20 0.00 0.00 173.24 172.74 3pgh n PRO 127 N 5.31 1.07 -1.40 5.44 -0.02 -1.26 -4.88 135.00 139.26 3pgh n PRO 127 Ca -0.06 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 3pgh n PRO 127 Cb 0.49 -2.04 0.10 0.00 -0.02 0.00 0.00 33.50 32.03 3pgh n PRO 127 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3pgh s PRO 128 N -2.30 2.07 0.04 0.52 0.04 -1.20 -5.09 135.00 129.08 3pgh s PRO 128 Ca 0.69 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 3pgh s PRO 128 Cb -0.49 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 3pgh s PRO 128 CO 0.53 -1.90 -0.02 0.95 0.04 0.00 0.00 177.00 176.60 3pgh s THR 129 N -1.94 0.17 0.45 1.26 -4.23 -1.26 -4.71 115.64 105.38 3pgh s THR 129 Ca 0.75 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 3pgh s THR 129 Cb -0.30 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.56 3pgh s THR 129 CO 0.46 -0.77 0.00 -1.22 -0.54 0.00 0.00 174.62 172.55 3pgh n TYR 130 N 0.75 -3.45 -3.82 3.99 4.01 -1.26 -3.69 117.16 113.69 3pgh n TYR 130 Ca -0.18 1.85 -0.08 0.00 -0.16 0.00 0.00 57.90 59.33 3pgh n TYR 130 Cb 0.58 -2.85 0.02 0.00 -0.31 0.00 0.00 39.34 36.78 3pgh n TYR 130 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3pgh s ASN 131 N -4.42 -0.04 0.31 7.72 2.20 -0.75 -0.97 114.94 118.99 3pgh s ASN 131 Ca 0.00 -1.05 0.06 0.00 -0.94 0.00 0.00 52.86 50.93 3pgh s ASN 131 Cb 0.00 0.83 0.86 0.00 -2.00 0.00 0.00 41.25 40.94 3pgh s ASN 131 CO 0.00 -1.63 1.49 0.52 -2.94 0.00 0.00 177.10 174.54 3pgh n VAL 132 N -0.52 -0.40 0.20 3.54 0.31 -1.26 -0.39 118.33 119.82 3pgh n VAL 132 Ca -0.08 2.05 0.12 0.00 -0.01 0.00 0.00 64.34 66.42 3pgh n VAL 132 Cb 0.60 -3.07 0.05 0.00 -0.91 0.00 0.00 33.84 30.51 3pgh n VAL 132 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3pgh h HIS 133 N 0.00 0.00 -3.31 3.52 3.86 -1.96 -3.45 115.15 113.80 3pgh h HIS 133 Ca 0.63 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 59.22 3pgh h HIS 133 Cb 1.42 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 29.53 3pgh h HIS 133 CO -0.36 0.00 -0.82 0.71 0.86 0.00 0.00 177.93 178.31 3pgh s TYR 134 N -3.31 2.49 -2.36 2.45 2.02 0.48 -4.91 117.35 114.21 3pgh s TYR 134 Ca 0.02 -1.57 0.21 0.00 -0.37 0.00 0.00 57.07 55.36 3pgh s TYR 134 Cb 0.10 -1.71 0.61 0.00 -0.40 0.00 0.00 41.96 40.56 3pgh s TYR 134 CO 0.76 -0.75 1.48 0.41 -1.57 0.00 0.00 175.55 175.88 3pgh n GLY 135 N 4.67 0.83 3.11 0.71 0.00 -1.26 -1.82 105.19 111.43 3pgh n GLY 135 Ca -0.16 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 3pgh n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3pgh s TYR 136 N -1.68 0.95 0.14 1.61 -0.85 -1.26 -4.89 117.35 111.36 3pgh s TYR 136 Ca 0.34 -0.43 -0.20 0.00 -0.52 0.00 0.00 57.07 56.26 3pgh s TYR 136 Cb 0.19 -0.55 0.03 0.00 0.38 0.00 0.00 41.96 42.01 3pgh s TYR 136 CO 0.28 -0.01 1.16 1.63 -1.52 0.00 0.00 175.55 177.10 3pgh n LYS 137 N 1.57 -0.28 -0.96 -3.49 4.01 -1.26 -4.53 118.16 113.22 3pgh n LYS 137 Ca -0.21 1.15 0.00 0.00 -0.51 0.00 0.00 58.31 58.74 3pgh n LYS 137 Cb 0.55 -1.69 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 3pgh n LYS 137 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3pgh n SER 138 N -5.00 0.00 0.13 4.39 3.41 -1.26 -4.14 113.62 111.14 3pgh n SER 138 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.64 3pgh n SER 138 Cb 0.23 -1.44 0.12 0.00 -0.26 0.00 0.00 64.21 62.87 3pgh n SER 138 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3pgh h TRP 139 N 0.42 0.00 -0.23 7.33 2.91 -1.99 -2.14 115.95 122.25 3pgh h TRP 139 Ca 0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 3pgh h TRP 139 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 3pgh h TRP 139 CO 0.00 0.65 0.05 1.49 -1.03 0.00 0.00 178.44 179.61 3pgh h GLU 140 N 0.00 0.37 -0.01 2.65 4.57 -1.98 0.23 114.58 120.40 3pgh h GLU 140 Ca -0.01 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3pgh h GLU 140 Cb 1.24 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3pgh h GLU 140 CO 0.09 0.48 -0.06 0.00 -1.18 0.00 0.00 179.01 178.34 3pgh h ALA 141 N 0.87 -0.05 -0.12 2.92 0.00 -1.74 0.26 119.26 121.40 3pgh h ALA 141 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3pgh h ALA 141 Cb 0.28 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3pgh h ALA 141 CO 0.00 -0.55 0.05 0.35 0.00 0.00 0.00 179.25 179.10 3pgh h PHE 142 N -0.10 0.18 0.00 0.00 3.57 -1.08 -3.31 116.94 116.20 3pgh h PHE 142 Ca 0.03 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 3pgh h PHE 142 Cb 0.13 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3pgh h PHE 142 CO -0.13 0.27 -0.89 0.66 -2.23 0.00 0.00 178.31 175.99 3pgh h SER 143 N 0.04 0.00 -2.09 0.41 4.64 -0.54 -3.44 113.55 112.57 3pgh h SER 143 Ca 0.04 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.83 3pgh h SER 143 Cb 0.16 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.18 3pgh h SER 143 CO -0.00 0.89 1.15 0.21 -0.87 0.00 0.00 176.83 178.21 3pgh s ASN 144 N -6.69 6.05 0.00 4.97 3.84 0.08 -4.86 114.94 118.33 3pgh s ASN 144 Ca 0.01 -0.47 0.15 0.00 0.21 0.00 0.00 52.86 52.76 3pgh s ASN 144 Cb 0.10 -2.56 0.72 0.00 -0.55 0.00 0.00 41.25 38.96 3pgh s ASN 144 CO 0.80 -1.90 1.46 0.18 -2.79 0.00 0.00 177.10 174.85 3pgh n LEU 145 N 9.93 0.00 0.19 3.21 4.77 -1.26 -3.20 117.00 130.64 3pgh n LEU 145 Ca 0.10 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 3pgh n LEU 145 Cb 0.50 -0.38 0.37 0.00 -2.33 0.00 0.00 43.42 41.57 3pgh n LEU 145 CO 0.70 -0.19 0.87 0.28 -1.33 0.00 0.00 177.39 177.73 3pgh h SER 146 N 0.00 0.00 -3.24 -1.43 0.02 -1.89 -3.44 113.55 103.57 3pgh h SER 146 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3pgh h SER 146 Cb 0.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3pgh h SER 146 CO 0.00 0.00 -0.17 -0.31 -1.14 0.00 0.00 176.83 175.21 3pgh s TYR 147 N -3.29 3.56 0.33 3.45 1.51 -1.20 0.38 117.35 122.10 3pgh s TYR 147 Ca 0.06 0.88 -0.26 0.00 -1.01 0.00 0.00 57.07 56.75 3pgh s TYR 147 Cb 0.08 -2.24 -0.10 0.00 -0.11 0.00 0.00 41.96 39.60 3pgh s TYR 147 CO 0.60 0.44 0.94 0.71 -1.11 0.00 0.00 175.55 177.13 3pgh s TYR 148 N -1.50 3.67 0.75 2.71 2.02 0.43 -4.75 117.35 120.67 3pgh s TYR 148 Ca 0.37 1.77 -0.13 0.00 -0.37 0.00 0.00 57.07 58.71 3pgh s TYR 148 Cb -0.14 -2.91 0.18 0.00 -0.40 0.00 0.00 41.96 38.69 3pgh s TYR 148 CO 0.19 0.19 0.87 -2.37 -1.57 0.00 0.00 175.55 172.87 3pgh n THR 149 N 0.48 0.00 -4.35 -0.71 5.66 0.10 -4.55 114.28 110.91 3pgh n THR 149 Ca 0.02 -0.56 -0.21 0.00 -3.05 0.00 0.00 64.05 60.25 3pgh n THR 149 Cb 0.50 -1.48 -0.16 0.00 -1.55 0.00 0.00 70.33 67.64 3pgh n THR 149 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3pgh s ARG 150 N -4.93 1.11 0.21 1.09 1.81 -0.14 -0.81 118.95 117.28 3pgh s ARG 150 Ca 0.52 -0.25 0.04 0.00 -1.72 0.00 0.00 55.73 54.31 3pgh s ARG 150 Cb -0.03 -1.01 0.15 0.00 -0.45 0.00 0.00 34.95 33.61 3pgh s ARG 150 CO 0.37 0.01 1.49 0.00 -0.68 0.00 0.00 175.30 176.49 3pgh h ALA 151 N 6.87 0.72 -3.51 2.13 0.00 -1.88 -3.44 119.26 120.15 3pgh h ALA 151 Ca -0.35 -0.62 -0.33 0.00 0.00 0.00 0.00 54.91 53.61 3pgh h ALA 151 Cb 1.17 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.64 3pgh h ALA 151 CO 0.48 0.81 -0.75 -0.51 0.00 0.00 0.00 179.25 179.27 3pgh s LEU 152 N -7.72 2.17 0.83 0.00 1.43 -1.26 -5.03 118.68 109.11 3pgh s LEU 152 Ca -0.03 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 3pgh s LEU 152 Cb 0.11 -0.31 0.09 0.00 0.03 0.00 0.00 46.19 46.12 3pgh s LEU 152 CO 0.81 -0.07 1.11 -2.16 0.23 0.00 0.00 176.35 176.27 3pgh s PRO 153 N -1.08 1.74 0.97 1.29 0.04 -1.26 -4.90 135.00 131.79 3pgh s PRO 153 Ca -0.04 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 3pgh s PRO 153 Cb -0.07 -1.83 0.24 0.00 0.04 0.00 0.00 34.50 32.88 3pgh s PRO 153 CO 0.00 -2.05 0.91 -0.35 0.04 0.00 0.00 177.00 175.56 3pgh n PRO 154 N -3.82 -2.52 -3.79 0.56 -0.04 -1.26 -4.75 135.00 119.38 3pgh n PRO 154 Ca 0.10 -1.45 -0.36 0.00 -0.04 0.00 0.00 63.50 61.75 3pgh n PRO 154 Cb 0.53 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 3pgh n PRO 154 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3pgh s VAL 155 N -2.71 5.44 0.27 0.52 1.01 -0.44 -4.90 120.40 119.59 3pgh s VAL 155 Ca 0.58 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3pgh s VAL 155 Cb -0.05 -3.45 -0.14 0.00 0.00 0.00 0.00 36.38 32.74 3pgh s VAL 155 CO 0.44 0.54 1.20 0.00 0.00 0.00 0.00 175.10 177.28 3pgh n ALA 156 N 2.61 0.32 0.30 5.51 0.00 -1.26 -4.85 120.51 123.15 3pgh n ALA 156 Ca -0.18 0.40 0.18 0.00 0.00 0.00 0.00 53.44 53.84 3pgh n ALA 156 Cb 0.54 -2.13 0.90 0.00 0.00 0.00 0.00 19.45 18.75 3pgh n ALA 156 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3pgh h ASP 157 N 2.93 0.00 -0.59 0.00 5.19 -2.01 -2.41 116.42 119.53 3pgh h ASP 157 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 3pgh h ASP 157 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 3pgh h ASP 157 CO 0.67 0.04 0.00 -0.90 -3.12 0.00 0.00 179.24 175.92 3pgh n ASP 158 N -3.28 5.43 -4.79 6.45 5.75 -1.26 -4.92 116.55 119.92 3pgh n ASP 158 Ca -0.02 -2.80 -0.36 0.00 -0.01 0.00 0.00 54.79 51.61 3pgh n ASP 158 Cb 0.20 -0.66 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 3pgh n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pgh h PRO 160 N 2.48 0.39 -6.25 0.00 0.13 -1.90 -3.44 132.00 123.41 3pgh h PRO 160 Ca -0.48 -0.06 -0.69 0.00 -0.87 0.00 0.00 66.00 63.90 3pgh h PRO 160 Cb 1.20 -0.07 -0.21 0.00 0.13 0.00 0.00 31.00 32.05 3pgh h PRO 160 CO 0.63 0.39 -0.73 0.95 -0.23 0.00 0.00 178.00 179.01 3pgh s THR 161 N -5.67 3.40 -1.23 1.56 -4.23 -0.74 -4.76 115.64 103.97 3pgh s THR 161 Ca -0.13 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3pgh s THR 161 Cb 0.08 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3pgh s THR 161 CO 0.72 0.56 0.27 -0.81 -0.54 0.00 0.00 174.62 174.82 3pgh n PRO 162 N 2.16 0.00 -0.00 3.99 -0.04 -1.26 0.64 135.00 140.49 3pgh n PRO 162 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3pgh n PRO 162 Cb 0.53 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3pgh n PRO 162 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3pgh n MET 163 N -0.74 2.07 0.00 0.54 2.81 -1.26 -4.80 117.12 115.74 3pgh n MET 163 Ca 0.00 -1.21 0.00 0.00 -1.81 0.00 0.00 57.70 54.68 3pgh n MET 163 Cb 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 3pgh n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3pgh n GLY 164 N -0.36 1.63 0.02 3.03 0.00 0.21 -4.66 105.19 105.07 3pgh n GLY 164 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 3pgh n GLY 164 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3pgh n VAL 165 N 0.00 0.31 -2.39 1.61 3.14 -1.24 -1.80 118.33 117.96 3pgh n VAL 165 Ca 0.00 -0.17 -0.32 0.00 -2.96 0.00 0.00 64.34 60.89 3pgh n VAL 165 Cb 0.00 -0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 31.92 3pgh n VAL 165 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3pgh s LYS 166 N -2.11 3.91 0.48 1.45 1.02 -1.26 -4.61 119.74 118.61 3pgh s LYS 166 Ca -0.04 0.99 0.00 0.00 0.02 0.00 0.00 55.97 56.94 3pgh s LYS 166 Cb 0.02 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 3pgh s LYS 166 CO 0.17 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 3pgh n GLY 167 N -1.45 -2.05 3.98 -3.33 0.00 -1.26 -4.45 105.19 96.62 3pgh n GLY 167 Ca 0.07 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.15 3pgh n GLY 167 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3pgh s ASN 168 N -3.69 6.01 0.54 1.61 3.84 -1.26 -4.92 114.94 117.07 3pgh s ASN 168 Ca 0.00 -0.01 0.43 0.00 0.21 0.00 0.00 52.86 53.49 3pgh s ASN 168 Cb 0.00 -1.43 1.64 0.00 -0.55 0.00 0.00 41.25 40.91 3pgh s ASN 168 CO 0.00 -0.43 1.68 0.50 -2.79 0.00 0.00 177.10 176.05 3pgh h LYS 169 N 0.81 0.01 -4.02 0.43 1.63 -1.95 -3.40 116.57 110.09 3pgh h LYS 169 Ca -0.47 -0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.15 3pgh h LYS 169 Cb 1.25 -0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.66 3pgh h LYS 169 CO 0.55 0.01 -0.70 -1.21 -3.45 0.00 0.00 179.45 174.65 3pgh s GLU 170 N -4.93 0.31 0.77 1.90 8.01 -1.26 -4.39 118.70 119.11 3pgh s GLU 170 Ca -0.05 -0.59 -0.11 0.00 0.01 0.00 0.00 54.97 54.23 3pgh s GLU 170 Cb 0.25 0.07 0.05 0.00 -4.31 0.00 0.00 34.13 30.19 3pgh s GLU 170 CO 0.85 -0.04 1.09 -0.51 0.01 0.00 0.00 175.26 176.67 3pgh s LEU 171 N -1.39 2.72 0.56 1.80 2.01 -1.26 -5.00 118.68 118.12 3pgh s LEU 171 Ca -0.15 1.32 -0.20 0.00 0.01 0.00 0.00 54.13 55.11 3pgh s LEU 171 Cb -0.09 -4.00 -0.04 0.00 0.01 0.00 0.00 46.19 42.07 3pgh s LEU 171 CO -0.01 -1.79 1.23 -2.16 1.01 0.00 0.00 176.35 174.63 3pgh s PRO 172 N -5.18 3.13 -0.20 1.29 0.04 -1.26 -4.86 135.00 127.96 3pgh s PRO 172 Ca 0.60 1.90 -0.34 0.00 0.04 0.00 0.00 61.00 63.20 3pgh s PRO 172 Cb -0.14 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 3pgh s PRO 172 CO 0.54 -1.10 2.02 -3.47 0.04 0.00 0.00 177.00 175.03 3pgh n ASP 173 N -1.30 2.95 -0.29 6.66 2.03 -1.26 -4.83 116.55 120.50 3pgh n ASP 173 Ca 0.12 0.69 0.27 0.00 0.52 0.00 0.00 54.79 56.39 3pgh n ASP 173 Cb 0.48 -1.35 0.62 0.00 -0.72 0.00 0.00 41.12 40.15 3pgh n ASP 173 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3pgh h SER 174 N 10.99 0.23 -0.49 1.67 4.64 -1.97 0.31 113.55 128.93 3pgh h SER 174 Ca -0.41 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 3pgh h SER 174 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 3pgh h SER 174 CO 0.97 0.05 0.16 0.50 -0.87 0.00 0.00 176.83 177.65 3pgh h LYS 175 N 0.21 0.75 -0.04 4.77 1.63 -1.96 0.14 116.57 122.08 3pgh h LYS 175 Ca 0.55 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 60.19 3pgh h LYS 175 Cb 1.74 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 33.26 3pgh h LYS 175 CO -0.15 0.70 0.02 0.93 -3.45 0.00 0.00 179.45 177.50 3pgh h GLU 176 N 0.66 0.05 -0.36 1.90 5.08 -0.81 -1.38 114.58 119.72 3pgh h GLU 176 Ca 0.16 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3pgh h GLU 176 Cb 0.25 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3pgh h GLU 176 CO -0.01 0.18 0.03 0.28 -1.00 0.00 0.00 179.01 178.50 3pgh h VAL 177 N -0.09 0.77 0.09 3.13 2.07 -1.02 0.21 116.25 121.41 3pgh h VAL 177 Ca 0.01 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3pgh h VAL 177 Cb 0.15 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3pgh h VAL 177 CO -0.00 0.02 -0.27 0.25 0.02 0.00 0.00 177.57 177.59 3pgh h LEU 178 N 0.13 -0.80 0.34 2.57 7.12 -0.42 -2.23 115.31 122.02 3pgh h LEU 178 Ca 0.17 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.26 3pgh h LEU 178 Cb 0.22 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 3pgh h LEU 178 CO -0.26 -0.29 -0.23 -0.33 -0.13 0.00 0.00 178.44 177.19 3pgh h GLU 179 N -0.40 -0.54 -0.58 1.25 5.08 -1.03 0.54 114.58 118.90 3pgh h GLU 179 Ca -0.01 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3pgh h GLU 179 Cb 0.40 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 3pgh h GLU 179 CO -0.13 -0.36 0.19 0.87 -1.00 0.00 0.00 179.01 178.58 3pgh h LYS 180 N -0.56 0.35 0.00 2.33 1.57 -0.59 -3.35 116.57 116.33 3pgh h LYS 180 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3pgh h LYS 180 Cb 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3pgh h LYS 180 CO 0.01 0.23 0.00 1.33 -0.57 0.00 0.00 179.45 180.46 3pgh n VAL 181 N -5.03 0.00 -0.12 0.50 0.24 -0.84 -4.91 118.33 108.17 3pgh n VAL 181 Ca 0.08 -0.34 -0.24 0.00 -2.04 0.00 0.00 64.34 61.79 3pgh n VAL 181 Cb 0.26 1.09 -0.09 0.00 -1.47 0.00 0.00 33.84 33.63 3pgh n VAL 181 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3pgh n LEU 182 N -0.49 2.05 -4.66 1.34 4.77 0.17 -0.47 117.00 119.71 3pgh n LEU 182 Ca 0.00 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.80 3pgh n LEU 182 Cb 0.02 -0.76 0.04 0.00 -2.33 0.00 0.00 43.42 40.40 3pgh n LEU 182 CO 0.00 0.61 0.71 0.18 -1.33 0.00 0.00 177.39 177.56 3pgh n LEU 183 N -3.91 4.20 -4.74 2.23 4.77 0.04 -1.84 117.00 117.75 3pgh n LEU 183 Ca -0.48 0.91 -0.40 0.00 -0.03 0.00 0.00 56.01 56.01 3pgh n LEU 183 Cb 0.87 -1.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 3pgh n LEU 183 CO 0.08 -1.32 0.43 -0.60 -1.33 0.00 0.00 177.39 174.64 3pgh s ARG 184 N -2.68 4.46 0.00 3.23 3.52 -0.66 -4.08 118.95 122.73 3pgh s ARG 184 Ca 0.72 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 3pgh s ARG 184 Cb -0.44 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 3pgh s ARG 184 CO 0.49 0.24 0.00 0.54 -0.81 0.00 0.00 175.30 175.76 3pgh n ARG 185 N 3.03 0.00 -4.06 5.12 5.12 -1.24 -4.76 116.66 119.87 3pgh n ARG 185 Ca -0.03 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.54 3pgh n ARG 185 Cb 0.51 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.72 3pgh n ARG 185 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3pgh s GLU 186 N 0.00 3.56 0.12 5.56 -6.30 -1.26 -5.02 118.70 115.35 3pgh s GLU 186 Ca 0.00 -0.30 -0.32 0.00 -2.50 0.00 0.00 54.97 51.85 3pgh s GLU 186 Cb 0.00 -3.10 -0.11 0.00 0.00 0.00 0.00 34.13 30.92 3pgh s GLU 186 CO 0.00 0.54 1.79 0.34 0.02 0.00 0.00 175.26 177.95 3pgh n PHE 187 N 2.70 2.55 -3.65 5.30 7.35 -1.26 -4.95 117.46 125.50 3pgh n PHE 187 Ca -0.18 -0.05 -0.39 0.00 -0.76 0.00 0.00 57.45 56.07 3pgh n PHE 187 Cb 0.53 -2.69 -0.11 0.00 0.35 0.00 0.00 39.48 37.56 3pgh n PHE 187 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3pgh s ILE 188 N 2.42 4.19 0.55 -2.13 1.01 -1.26 -5.08 121.20 120.89 3pgh s ILE 188 Ca 0.82 -1.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 3pgh s ILE 188 Cb -0.54 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 3pgh s ILE 188 CO 0.38 -0.31 1.03 -2.16 0.00 0.00 0.00 174.94 173.89 3pgh s PRO 189 N 1.46 3.59 -0.12 2.79 0.04 -1.26 -1.50 135.00 139.99 3pgh s PRO 189 Ca 0.01 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.91 3pgh s PRO 189 Cb -0.20 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3pgh s PRO 189 CO 0.04 -0.58 1.25 0.34 0.04 0.00 0.00 177.00 178.09 3pgh s ASP 190 N -2.74 6.97 0.51 6.66 2.15 0.14 -4.43 116.67 125.93 3pgh s ASP 190 Ca 0.63 1.75 0.20 0.00 0.43 0.00 0.00 52.55 55.56 3pgh s ASP 190 Cb -0.14 -2.54 1.31 0.00 -0.30 0.00 0.00 42.92 41.25 3pgh s ASP 190 CO 0.32 -0.71 2.11 1.55 -0.17 0.00 0.00 175.17 178.27 3pgh h PRO 191 N 7.98 0.00 0.00 4.34 0.13 -1.83 -2.58 132.00 140.03 3pgh h PRO 191 Ca -0.29 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 3pgh h PRO 191 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3pgh h PRO 191 CO 0.94 0.08 -0.28 0.37 -0.23 0.00 0.00 178.00 178.88 3pgh h GLN 192 N 0.00 0.00 0.00 0.86 4.15 -1.76 -3.47 115.11 114.89 3pgh h GLN 192 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3pgh h GLN 192 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3pgh h GLN 192 CO 0.01 0.28 0.00 0.41 -1.93 0.00 0.00 178.83 177.60 3pgh n GLY 193 N -0.54 0.85 3.68 2.39 0.00 -0.97 -4.90 105.19 105.70 3pgh n GLY 193 Ca -0.02 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.45 3pgh n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3pgh n SER 194 N 0.00 2.25 -4.10 1.61 7.64 -1.26 0.91 113.62 120.68 3pgh n SER 194 Ca 0.00 1.08 -0.16 0.00 1.01 0.00 0.00 58.87 60.80 3pgh n SER 194 Cb 0.00 -1.17 0.03 0.00 -1.01 0.00 0.00 64.21 62.07 3pgh n SER 194 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3pgh n ASN 195 N 4.70 1.81 0.00 6.43 0.23 -1.00 0.49 115.26 127.91 3pgh n ASN 195 Ca 0.24 -2.21 0.08 0.00 -0.53 0.00 0.00 54.58 52.17 3pgh n ASN 195 Cb 0.15 -0.20 0.49 0.00 -2.08 0.00 0.00 39.78 38.15 3pgh n ASN 195 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3pgh n MET 196 N -1.73 0.86 -0.03 -3.83 2.81 -0.65 -1.30 117.12 113.24 3pgh n MET 196 Ca 0.07 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.75 3pgh n MET 196 Cb 0.44 -1.30 -0.13 0.00 -0.71 0.00 0.00 33.22 31.51 3pgh n MET 196 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 3pgh n MET 197 N -0.80 0.72 0.30 0.03 0.00 -1.18 -3.16 117.12 113.03 3pgh n MET 197 Ca 0.13 0.27 -0.13 0.00 0.00 0.00 0.00 57.70 57.96 3pgh n MET 197 Cb 0.06 -1.67 -0.06 0.00 0.00 0.00 0.00 33.22 31.54 3pgh n MET 197 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 3pgh h PHE 198 N -0.06 -0.75 -0.81 1.12 3.04 -1.65 -1.81 116.94 116.02 3pgh h PHE 198 Ca -0.45 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 61.62 3pgh h PHE 198 Cb 1.94 0.25 -0.15 0.00 2.56 0.00 0.00 35.95 40.55 3pgh h PHE 198 CO 0.07 -0.44 -0.30 0.00 -2.02 0.00 0.00 178.31 175.61 3pgh h ALA 199 N -1.11 0.25 0.00 2.41 0.00 -1.37 -0.51 119.26 118.92 3pgh h ALA 199 Ca -0.08 0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3pgh h ALA 199 Cb 0.64 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3pgh h ALA 199 CO 0.14 -0.55 -0.45 0.74 0.00 0.00 0.00 179.25 179.12 3pgh h PHE 200 N -0.05 0.00 -0.06 0.00 0.04 -1.59 -2.57 116.94 112.72 3pgh h PHE 200 Ca 0.33 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 3pgh h PHE 200 Cb 0.59 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 3pgh h PHE 200 CO -0.72 0.45 -0.01 0.35 -0.60 0.00 0.00 178.31 177.78 3pgh h PHE 201 N 0.00 0.12 -0.96 -0.55 3.04 -0.24 -1.30 116.94 117.05 3pgh h PHE 201 Ca -0.00 -0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.04 3pgh h PHE 201 Cb 0.89 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 39.29 3pgh h PHE 201 CO 0.00 0.44 0.61 0.00 -2.02 0.00 0.00 178.31 177.35 3pgh h ALA 202 N 0.66 1.60 0.72 2.41 0.00 -1.11 0.41 119.26 123.96 3pgh h ALA 202 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3pgh h ALA 202 Cb 0.40 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3pgh h ALA 202 CO 0.01 0.16 -0.35 0.37 0.00 0.00 0.00 179.25 179.44 3pgh h GLN 203 N 0.92 -0.94 0.35 0.00 4.15 -1.19 -2.20 115.11 116.20 3pgh h GLN 203 Ca 0.47 0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.96 3pgh h GLN 203 Cb 0.52 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 3pgh h GLN 203 CO -0.24 -0.60 -0.43 1.25 -1.93 0.00 0.00 178.83 176.88 3pgh h HIS 204 N -1.14 -1.19 0.14 3.99 2.76 -0.67 -2.27 115.15 116.78 3pgh h HIS 204 Ca -0.10 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.10 3pgh h HIS 204 Cb 0.77 0.47 -0.05 0.00 1.55 0.00 0.00 27.41 30.16 3pgh h HIS 204 CO -0.00 -0.57 -0.46 0.35 -1.30 0.00 0.00 177.93 175.95 3pgh h PHE 205 N -0.82 -1.30 0.00 5.26 3.57 -0.27 -1.90 116.94 121.48 3pgh h PHE 205 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3pgh h PHE 205 Cb 0.75 0.55 0.00 0.00 2.79 0.00 0.00 35.95 40.04 3pgh h PHE 205 CO -0.27 -0.55 0.00 1.79 -2.23 0.00 0.00 178.31 177.05 3pgh h THR 206 N -0.71 0.00 0.00 4.41 1.35 -1.43 -3.05 112.91 113.48 3pgh h THR 206 Ca 0.01 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3pgh h THR 206 Cb 0.72 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3pgh h THR 206 CO -0.25 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.43 3pgh n HIS 207 N -2.84 0.00 0.09 4.73 8.25 -0.71 -0.24 115.22 124.50 3pgh n HIS 207 Ca -0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 3pgh n HIS 207 Cb 0.19 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.15 3pgh n HIS 207 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 3pgh h GLN 208 N 0.00 0.42 0.01 -0.41 3.07 -1.62 -3.40 115.11 113.18 3pgh h GLN 208 Ca 0.00 -0.71 -0.33 0.00 0.09 0.00 0.00 58.65 57.70 3pgh h GLN 208 Cb 0.00 0.26 -0.05 0.00 0.08 0.00 0.00 27.48 27.77 3pgh h GLN 208 CO 0.00 1.33 -1.99 1.97 0.09 0.00 0.00 178.83 180.23 3pgh n PHE 209 N -3.61 0.66 -2.86 0.06 1.16 -0.96 -4.65 117.46 107.25 3pgh n PHE 209 Ca -0.23 0.22 -0.43 0.00 -1.87 0.00 0.00 57.45 55.14 3pgh n PHE 209 Cb 1.08 -1.12 -0.04 0.00 -1.61 0.00 0.00 39.48 37.80 3pgh n PHE 209 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3pgh s PHE 210 N -2.56 2.69 -0.41 2.97 0.08 0.67 -4.56 117.98 116.86 3pgh s PHE 210 Ca -0.09 -0.54 0.08 0.00 0.12 0.00 0.00 56.93 56.50 3pgh s PHE 210 Cb 0.07 -4.27 0.27 0.00 -0.57 0.00 0.00 43.02 38.52 3pgh s PHE 210 CO 0.81 -1.63 0.66 1.63 -0.10 0.00 0.00 175.22 176.59 3pgh n LYS 211 N 7.66 0.79 -1.63 0.44 5.02 -1.26 -4.56 118.16 124.62 3pgh n LYS 211 Ca -0.04 -2.90 -0.50 0.00 -2.02 0.00 0.00 58.31 52.86 3pgh n LYS 211 Cb 0.45 -1.34 -0.05 0.00 -0.02 0.00 0.00 35.03 34.08 3pgh n LYS 211 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3pgh n THR 212 N 1.20 0.02 -2.87 -0.18 -1.04 -1.26 -1.21 114.28 108.94 3pgh n THR 212 Ca 0.19 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.76 3pgh n THR 212 Cb 0.58 -1.14 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 3pgh n THR 212 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3pgh s ASP 213 N 0.81 6.70 0.00 8.00 -1.08 0.22 -4.82 116.67 126.50 3pgh s ASP 213 Ca 0.83 -2.14 0.05 0.00 -0.52 0.00 0.00 52.55 50.76 3pgh s ASP 213 Cb -0.84 -2.43 0.27 0.00 -1.46 0.00 0.00 42.92 38.46 3pgh s ASP 213 CO 0.44 -1.07 0.64 1.41 0.52 0.00 0.00 175.17 177.11 3pgh n HIS 214 N 6.78 0.00 -0.04 -5.34 8.25 -1.26 -0.60 115.22 123.02 3pgh n HIS 214 Ca 0.28 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.69 3pgh n HIS 214 Cb 0.48 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.45 3pgh n HIS 214 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3pgh n LYS 215 N -0.80 0.65 -0.02 -0.41 4.01 -1.26 -4.24 118.16 116.08 3pgh n LYS 215 Ca 0.03 0.12 -0.22 0.00 -0.51 0.00 0.00 58.31 57.74 3pgh n LYS 215 Cb 0.02 -1.67 -0.13 0.00 -0.51 0.00 0.00 35.03 32.73 3pgh n LYS 215 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3pgh h ARG 216 N 0.00 0.18 0.00 1.97 -0.00 -1.24 -3.51 114.38 111.78 3pgh h ARG 216 Ca -0.33 -0.31 0.00 0.00 -0.50 0.00 0.00 59.98 58.83 3pgh h ARG 216 Cb 1.92 0.12 0.00 0.00 0.00 0.00 0.00 29.97 32.00 3pgh h ARG 216 CO 0.05 1.15 0.00 0.41 0.00 0.00 0.00 179.97 181.58 3pgh n GLY 217 N 1.76 3.75 3.74 0.04 0.00 -0.60 -4.99 105.19 108.88 3pgh n GLY 217 Ca -0.30 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 3pgh n GLY 217 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3pgh s PRO 218 N -2.51 2.21 0.00 1.61 0.04 -1.26 -2.79 135.00 132.30 3pgh s PRO 218 Ca 0.00 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3pgh s PRO 218 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3pgh s PRO 218 CO 0.00 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.72 3pgh n GLY 219 N -0.21 2.35 3.37 0.56 0.00 -1.26 -4.99 105.19 105.01 3pgh n GLY 219 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3pgh n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3pgh s PHE 220 N -2.55 2.69 0.32 1.61 0.08 -1.12 -0.43 117.98 118.59 3pgh s PHE 220 Ca 0.00 -0.54 0.09 0.00 0.12 0.00 0.00 56.93 56.60 3pgh s PHE 220 Cb 0.00 -1.73 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 3pgh s PHE 220 CO 0.00 -0.11 0.07 -0.08 -0.10 0.00 0.00 175.22 175.00 3pgh s THR 221 N -0.07 3.01 -0.25 0.64 -1.32 0.16 -0.61 115.64 117.21 3pgh s THR 221 Ca -0.04 -1.83 0.03 0.00 -1.21 0.00 0.00 61.69 58.65 3pgh s THR 221 Cb -0.14 -2.89 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 3pgh s THR 221 CO 0.04 -0.24 0.31 0.54 -2.21 0.00 0.00 174.62 173.06 3pgh n ARG 222 N -1.03 3.54 -2.86 7.08 1.74 -0.35 -4.63 116.66 120.14 3pgh n ARG 222 Ca -0.04 -0.27 -0.44 0.00 -0.77 0.00 0.00 57.85 56.34 3pgh n ARG 222 Cb 0.61 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 3pgh n ARG 222 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3pgh n GLY 223 N 0.74 3.85 0.00 -0.13 0.00 -1.26 -4.79 105.19 103.60 3pgh n GLY 223 Ca 0.01 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 43.95 3pgh n GLY 223 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pgh n LEU 224 N 4.73 0.00 -0.16 0.99 4.77 -1.26 -1.19 117.00 124.88 3pgh n LEU 224 Ca 0.36 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 3pgh n LEU 224 Cb 0.40 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.92 3pgh n LEU 224 CO 0.65 0.00 0.68 0.61 -1.33 0.00 0.00 177.39 178.01 3pgh n GLY 225 N -0.16 -0.84 3.43 -0.72 0.00 -1.26 -4.95 105.19 100.68 3pgh n GLY 225 Ca 0.07 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3pgh n GLY 225 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3pgh n HIS 226 N -0.91 -1.48 -3.26 1.61 8.25 -0.33 -4.78 115.22 114.31 3pgh n HIS 226 Ca 0.11 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 3pgh n HIS 226 Cb 0.33 -1.37 0.00 0.00 1.12 0.00 0.00 29.99 30.07 3pgh n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3pgh n GLY 227 N -0.76 -0.70 3.58 -1.41 0.00 -1.26 -4.33 105.19 100.31 3pgh n GLY 227 Ca 0.06 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3pgh n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pgh s VAL 228 N -3.00 3.90 -1.20 1.61 1.01 -1.26 -4.53 120.40 116.94 3pgh s VAL 228 Ca 0.00 -1.52 0.13 0.00 0.00 0.00 0.00 61.98 60.59 3pgh s VAL 228 Cb 0.00 -4.96 -0.00 0.00 0.00 0.00 0.00 36.38 31.41 3pgh s VAL 228 CO 0.00 -1.65 0.75 -0.90 0.00 0.00 0.00 175.10 173.30 3pgh n ASP 229 N 10.61 1.42 -2.63 3.32 5.68 -1.26 -4.99 116.55 128.70 3pgh n ASP 229 Ca 0.47 -1.21 -0.18 0.00 -0.50 0.00 0.00 54.79 53.37 3pgh n ASP 229 Cb 0.46 0.47 0.04 0.00 -1.14 0.00 0.00 41.12 40.95 3pgh n ASP 229 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3pgh n LEU 230 N -0.19 -2.71 0.24 -2.12 4.77 -1.26 -4.89 117.00 110.84 3pgh n LEU 230 Ca 0.05 -0.31 0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3pgh n LEU 230 Cb 0.28 -2.48 0.52 0.00 -2.33 0.00 0.00 43.42 39.41 3pgh n LEU 230 CO 0.16 0.32 0.88 -0.55 -1.33 0.00 0.00 177.39 176.87 3pgh h ASN 231 N -1.52 0.00 0.52 -1.43 7.08 -1.91 -1.72 115.58 116.61 3pgh h ASN 231 Ca -0.43 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.79 3pgh h ASN 231 Cb 1.29 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.53 3pgh h ASN 231 CO 0.45 0.11 0.00 0.00 -2.08 0.00 0.00 177.43 175.91 3pgh n HIS 232 N -3.23 0.01 -0.08 4.14 1.44 -1.26 0.11 115.22 116.35 3pgh n HIS 232 Ca 0.01 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.57 3pgh n HIS 232 Cb 0.39 -0.51 -0.06 0.00 0.12 0.00 0.00 29.99 29.94 3pgh n HIS 232 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3pgh n ILE 233 N -1.51 0.86 0.64 0.61 5.41 -0.97 -2.24 119.36 122.16 3pgh n ILE 233 Ca 0.04 -0.25 0.11 0.00 1.00 0.00 0.00 62.75 63.64 3pgh n ILE 233 Cb 0.18 -1.50 0.05 0.00 -0.71 0.00 0.00 39.64 37.66 3pgh n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3pgh n TYR 234 N -3.46 0.25 0.00 1.39 4.01 -0.69 -4.36 117.16 114.30 3pgh n TYR 234 Ca -0.30 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 3pgh n TYR 234 Cb 0.74 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 3pgh n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pgh n GLY 235 N 1.39 2.23 0.15 2.72 0.00 0.31 -2.96 105.19 109.03 3pgh n GLY 235 Ca 0.03 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.36 3pgh n GLY 235 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3pgh h GLU 236 N 0.00 0.00 -5.66 1.61 3.07 -1.79 -3.43 114.58 108.38 3pgh h GLU 236 Ca 0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 3pgh h GLU 236 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.75 3pgh h GLU 236 CO 0.00 0.52 -0.76 0.95 -1.40 0.00 0.00 179.01 178.32 3pgh s THR 237 N -3.18 1.67 0.35 1.13 -4.23 -1.26 -5.04 115.64 105.08 3pgh s THR 237 Ca 0.02 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 3pgh s THR 237 Cb 0.09 -1.86 0.30 0.00 1.34 0.00 0.00 72.50 72.38 3pgh s THR 237 CO 0.73 -0.46 1.91 0.25 -0.54 0.00 0.00 174.62 176.52 3pgh h LEU 238 N 3.02 0.70 -0.26 4.79 6.46 -1.94 0.66 115.31 128.74 3pgh h LEU 238 Ca -0.40 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 3pgh h LEU 238 Cb 1.21 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 3pgh h LEU 238 CO 0.56 0.41 0.11 0.44 -0.62 0.00 0.00 178.44 179.34 3pgh h ASP 239 N 0.77 0.35 0.84 1.25 5.19 -1.98 0.10 116.42 122.95 3pgh h ASP 239 Ca 0.38 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 3pgh h ASP 239 Cb 0.44 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.86 3pgh h ASP 239 CO -0.15 0.40 -0.40 -0.09 -3.12 0.00 0.00 179.24 175.88 3pgh h ARG 240 N 0.28 -1.09 -0.88 3.56 2.43 -1.64 -2.33 114.38 114.72 3pgh h ARG 240 Ca 0.09 0.07 0.17 0.00 -0.81 0.00 0.00 59.98 59.50 3pgh h ARG 240 Cb 0.15 0.25 -0.16 0.00 -0.42 0.00 0.00 29.97 29.79 3pgh h ARG 240 CO -0.01 -0.72 -0.27 0.37 -1.51 0.00 0.00 179.97 177.84 3pgh h GLN 241 N -1.26 -0.02 0.00 0.20 4.15 -0.80 0.54 115.11 117.93 3pgh h GLN 241 Ca -0.12 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 3pgh h GLN 241 Cb 0.87 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.57 3pgh h GLN 241 CO 0.19 -0.01 -0.05 0.45 -1.93 0.00 0.00 178.83 177.48 3pgh h HIS 242 N -0.02 0.00 0.11 3.99 3.86 -0.81 -1.49 115.15 120.80 3pgh h HIS 242 Ca 0.39 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.33 3pgh h HIS 242 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 3pgh h HIS 242 CO -0.72 0.05 -1.21 0.87 0.86 0.00 0.00 177.93 177.77 3pgh h LYS 243 N 0.00 0.25 0.00 2.45 1.57 0.55 -3.18 116.57 118.21 3pgh h LYS 243 Ca -0.00 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3pgh h LYS 243 Cb 0.09 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3pgh h LYS 243 CO 0.01 1.20 0.00 1.28 -0.57 0.00 0.00 179.45 181.37 3pgh n LEU 244 N -3.52 0.00 -4.90 2.94 4.77 -0.14 -4.79 117.00 111.35 3pgh n LEU 244 Ca -0.08 0.46 -0.30 0.00 -0.03 0.00 0.00 56.01 56.06 3pgh n LEU 244 Cb 1.01 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3pgh n LEU 244 CO 0.53 -0.05 0.08 -0.13 -1.33 0.00 0.00 177.39 176.49 3pgh s ARG 245 N -2.92 3.63 -0.07 3.23 0.52 -0.64 -0.39 118.95 122.31 3pgh s ARG 245 Ca 0.15 -0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.26 3pgh s ARG 245 Cb 0.17 -2.79 -0.26 0.00 0.52 0.00 0.00 34.95 32.59 3pgh s ARG 245 CO 0.46 0.40 0.56 1.25 0.02 0.00 0.00 175.30 177.98 3pgh h LEU 246 N 2.47 0.35 0.65 2.53 5.85 -1.45 -3.41 115.31 122.31 3pgh h LEU 246 Ca -0.47 -0.68 -0.13 0.00 0.84 0.00 0.00 57.88 57.45 3pgh h LEU 246 Cb 1.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3pgh h LEU 246 CO 0.70 1.60 -0.18 0.49 -0.34 0.00 0.00 178.44 180.71 3pgh n PHE 247 N -3.40 -0.40 -3.71 1.25 3.72 -1.25 -5.02 117.46 108.65 3pgh n PHE 247 Ca -0.25 0.05 -0.15 0.00 -0.05 0.00 0.00 57.45 57.04 3pgh n PHE 247 Cb 1.05 -1.99 -0.15 0.00 -0.94 0.00 0.00 39.48 37.45 3pgh n PHE 247 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3pgh s LYS 248 N -4.49 0.04 -0.86 -1.08 1.02 -1.26 -4.85 119.74 108.25 3pgh s LYS 248 Ca 0.03 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.45 3pgh s LYS 248 Cb -0.01 -0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 3pgh s LYS 248 CO 0.03 -0.23 0.00 -0.25 -0.92 0.00 0.00 175.35 173.98 3pgh n ASP 249 N 4.73 -4.51 0.00 2.83 8.00 -1.26 -1.15 116.55 125.19 3pgh n ASP 249 Ca -0.16 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3pgh n ASP 249 Cb 0.51 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 3pgh n ASP 249 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pgh n GLY 250 N 0.24 0.72 3.82 0.44 0.00 -1.25 -4.73 105.19 104.44 3pgh n GLY 250 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3pgh n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pgh s LYS 251 N -0.13 3.58 0.15 1.61 1.02 -0.30 -3.93 119.74 121.74 3pgh s LYS 251 Ca 0.00 1.10 -0.18 0.00 0.02 0.00 0.00 55.97 56.91 3pgh s LYS 251 Cb 0.00 -2.08 -0.07 0.00 -0.52 0.00 0.00 37.83 35.16 3pgh s LYS 251 CO 0.00 -0.58 0.62 -1.17 -0.92 0.00 0.00 175.35 173.29 3pgh s LEU 252 N -4.32 4.41 0.73 3.17 2.96 -1.26 -1.33 118.68 123.04 3pgh s LEU 252 Ca 0.62 1.26 -0.15 0.00 -0.22 0.00 0.00 54.13 55.64 3pgh s LEU 252 Cb -0.13 -3.25 0.04 0.00 0.50 0.00 0.00 46.19 43.35 3pgh s LEU 252 CO 0.35 0.14 1.23 -0.75 -1.32 0.00 0.00 176.35 175.99 3pgh s LYS 253 N -1.66 2.08 0.20 1.98 2.20 0.48 -4.57 119.74 120.46 3pgh s LYS 253 Ca 0.36 1.83 -0.19 0.00 -0.36 0.00 0.00 55.97 57.62 3pgh s LYS 253 Cb -0.17 -1.82 0.07 0.00 -1.51 0.00 0.00 37.83 34.40 3pgh s LYS 253 CO 0.20 -1.89 0.91 2.48 -0.36 0.00 0.00 175.35 176.69 3pgh n TYR 254 N -2.70 -1.46 -3.76 4.03 4.11 -1.26 -4.35 117.16 111.77 3pgh n TYR 254 Ca 0.14 -1.26 -0.13 0.00 -0.00 0.00 0.00 57.90 56.65 3pgh n TYR 254 Cb 0.50 0.62 -0.09 0.00 -0.00 0.00 0.00 39.34 40.36 3pgh n TYR 254 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 3pgh s GLN 255 N -2.05 0.62 -0.33 -3.48 -2.07 -0.38 -4.70 119.66 107.27 3pgh s GLN 255 Ca 0.20 -0.09 -0.12 0.00 -1.82 0.00 0.00 55.36 53.53 3pgh s GLN 255 Cb -0.03 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.15 3pgh s GLN 255 CO 0.06 -0.16 0.21 0.08 -1.32 0.00 0.00 175.29 174.16 3pgh s VAL 256 N -1.07 5.08 -0.10 3.63 1.01 -1.26 -0.38 120.40 127.31 3pgh s VAL 256 Ca -0.11 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3pgh s VAL 256 Cb -0.05 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3pgh s VAL 256 CO 0.04 0.03 -0.17 -0.63 0.00 0.00 0.00 175.10 174.36 3pgh s ILE 257 N 1.69 2.74 0.00 2.22 1.01 0.01 -4.89 121.20 123.99 3pgh s ILE 257 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3pgh s ILE 257 Cb -0.17 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3pgh s ILE 257 CO 0.09 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.19 3pgh n GLY 258 N 3.19 2.34 0.00 6.18 0.00 -1.26 -0.37 105.19 115.28 3pgh n GLY 258 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3pgh n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pgh n GLY 259 N 0.00 0.25 3.87 -0.02 0.00 -1.26 -5.07 105.19 102.96 3pgh n GLY 259 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3pgh n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pgh s GLU 260 N -0.29 3.80 -0.23 1.61 0.41 0.51 -5.01 118.70 119.50 3pgh s GLU 260 Ca 0.00 0.55 -0.16 0.00 -0.41 0.00 0.00 54.97 54.95 3pgh s GLU 260 Cb 0.00 -2.34 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 3pgh s GLU 260 CO 0.00 -0.09 0.41 0.08 -0.49 0.00 0.00 175.26 175.17 3pgh s VAL 261 N -2.43 5.17 0.26 2.63 1.01 -1.26 -0.81 120.40 124.97 3pgh s VAL 261 Ca 0.53 0.70 0.05 0.00 0.00 0.00 0.00 61.98 63.26 3pgh s VAL 261 Cb -0.10 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 3pgh s VAL 261 CO 0.32 0.20 -0.02 -0.31 0.00 0.00 0.00 175.10 175.29 3pgh s TYR 262 N 1.65 1.76 0.80 5.22 2.02 0.49 -4.96 117.35 124.33 3pgh s TYR 262 Ca 0.18 -0.84 -0.13 0.00 -0.37 0.00 0.00 57.07 55.91 3pgh s TYR 262 Cb -0.15 -1.04 0.08 0.00 -0.40 0.00 0.00 41.96 40.45 3pgh s TYR 262 CO 0.09 0.09 1.20 -2.14 -1.57 0.00 0.00 175.55 173.22 3pgh s PRO 263 N -3.81 1.70 0.91 -1.71 0.02 -1.26 -1.24 135.00 129.60 3pgh s PRO 263 Ca 0.30 1.73 -0.14 0.00 0.02 0.00 0.00 61.00 62.91 3pgh s PRO 263 Cb 0.05 -1.79 0.15 0.00 0.02 0.00 0.00 34.50 32.94 3pgh s PRO 263 CO 0.11 -2.16 1.23 -1.25 -0.33 0.00 0.00 177.00 174.60 3pgh s PRO 264 N -4.15 1.12 0.76 5.54 0.04 -1.26 -4.42 135.00 132.63 3pgh s PRO 264 Ca 0.73 -0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 3pgh s PRO 264 Cb -0.28 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.44 3pgh s PRO 264 CO 0.50 -2.14 1.13 0.95 0.04 0.00 0.00 177.00 177.49 3pgh s THR 265 N -3.64 2.66 0.13 1.26 -4.23 -1.26 0.61 115.64 111.17 3pgh s THR 265 Ca 0.68 0.19 0.11 0.00 -1.18 0.00 0.00 61.69 61.49 3pgh s THR 265 Cb -0.08 -3.21 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 3pgh s THR 265 CO 0.52 -0.27 1.47 0.58 -0.54 0.00 0.00 174.62 176.37 3pgh h VAL 266 N -0.85 1.38 -0.33 2.29 2.07 -1.47 -2.58 116.25 116.76 3pgh h VAL 266 Ca -0.45 -2.58 -0.13 0.00 0.82 0.00 0.00 66.70 64.35 3pgh h VAL 266 Cb 1.30 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 3pgh h VAL 266 CO 0.65 0.71 -0.31 0.50 0.02 0.00 0.00 177.57 179.13 3pgh h LYS 267 N 0.00 0.80 0.02 1.57 3.64 -1.92 0.26 116.57 120.94 3pgh h LYS 267 Ca -0.01 -0.41 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3pgh h LYS 267 Cb 1.39 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 3pgh h LYS 267 CO 0.09 1.05 -0.01 0.22 -2.27 0.00 0.00 179.45 178.53 3pgh h ASP 268 N 0.57 -0.03 0.09 4.20 3.58 -1.95 -3.37 116.42 119.52 3pgh h ASP 268 Ca 0.05 -0.69 -0.27 0.00 0.42 0.00 0.00 57.03 56.55 3pgh h ASP 268 Cb 0.89 0.01 0.03 0.00 1.72 0.00 0.00 39.33 41.97 3pgh h ASP 268 CO 0.08 0.71 -1.11 0.71 -2.88 0.00 0.00 179.24 176.75 3pgh h THR 269 N -0.80 1.32 0.00 2.25 1.35 -1.56 -3.48 112.91 111.99 3pgh h THR 269 Ca -0.00 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 3pgh h THR 269 Cb 0.71 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 3pgh h THR 269 CO 0.01 0.72 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 3pgh n GLN 270 N -3.88 0.00 -1.96 4.72 3.00 0.92 -4.85 117.38 115.32 3pgh n GLN 270 Ca -0.13 0.35 -0.32 0.00 -0.01 0.00 0.00 57.00 56.89 3pgh n GLN 270 Cb 0.92 -2.89 0.01 0.00 0.00 0.00 0.00 30.24 28.28 3pgh n GLN 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 3pgh s VAL 271 N -2.00 4.31 -0.40 5.09 -7.23 -1.25 -4.99 120.40 113.93 3pgh s VAL 271 Ca 0.00 0.91 -0.25 0.00 -1.81 0.00 0.00 61.98 60.83 3pgh s VAL 271 Cb 0.00 -3.61 0.02 0.00 0.56 0.00 0.00 36.38 33.34 3pgh s VAL 271 CO 0.00 -0.83 0.89 -0.70 -0.31 0.00 0.00 175.10 174.15 3pgh s GLU 272 N -4.64 3.72 0.20 4.82 2.56 -1.26 -4.85 118.70 119.25 3pgh s GLU 272 Ca 0.58 0.38 0.11 0.00 0.00 0.00 0.00 54.97 56.04 3pgh s GLU 272 Cb -0.12 -3.84 -0.04 0.00 2.00 0.00 0.00 34.13 32.12 3pgh s GLU 272 CO 0.45 -1.01 -0.18 -1.64 -0.56 0.00 0.00 175.26 172.32 3pgh s MET 273 N 3.47 1.75 -0.37 4.30 -1.94 -1.26 -4.66 119.30 120.59 3pgh s MET 273 Ca 0.36 -1.46 -0.15 0.00 -1.71 0.00 0.00 55.69 52.73 3pgh s MET 273 Cb -0.12 -1.95 -0.00 0.00 2.01 0.00 0.00 34.83 34.77 3pgh s MET 273 CO 0.21 0.40 0.35 0.42 -0.01 0.00 0.00 175.02 176.39 3pgh s ILE 274 N -1.80 5.18 0.00 2.53 1.01 0.12 -5.04 121.20 123.20 3pgh s ILE 274 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 3pgh s ILE 274 Cb -0.08 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3pgh s ILE 274 CO 0.13 -0.17 0.02 -0.31 0.00 0.00 0.00 174.94 174.61 3pgh s TYR 275 N 1.95 0.07 0.26 3.97 2.02 -1.26 -4.45 117.35 119.92 3pgh s TYR 275 Ca 0.10 -0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 3pgh s TYR 275 Cb -0.17 -0.06 -0.10 0.00 -0.40 0.00 0.00 41.96 41.23 3pgh s TYR 275 CO 0.12 -0.10 1.40 -2.14 -1.57 0.00 0.00 175.55 173.25 3pgh s PRO 276 N -0.62 4.30 0.00 -1.71 0.02 -1.26 -4.85 135.00 130.88 3pgh s PRO 276 Ca -0.07 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3pgh s PRO 276 Cb -0.04 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3pgh s PRO 276 CO -0.00 -0.35 0.47 -0.35 -0.33 0.00 0.00 177.00 176.44 3pgh n PRO 277 N 2.01 0.00 -0.09 5.54 -0.04 -1.26 -1.43 135.00 139.74 3pgh n PRO 277 Ca 0.05 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.67 3pgh n PRO 277 Cb 0.41 -1.79 0.12 0.00 -0.04 0.00 0.00 33.50 32.20 3pgh n PRO 277 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3pgh n HIS 278 N -0.97 0.23 -1.98 0.54 1.44 -1.26 -4.94 115.22 108.27 3pgh n HIS 278 Ca 0.00 -0.17 -0.42 0.00 -2.01 0.00 0.00 57.72 55.12 3pgh n HIS 278 Cb 0.29 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.36 3pgh n HIS 278 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3pgh s ILE 279 N -1.25 3.30 -1.02 0.61 -1.09 -0.51 -4.85 121.20 116.39 3pgh s ILE 279 Ca 0.24 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 3pgh s ILE 279 Cb 0.15 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 3pgh s ILE 279 CO 0.21 -0.02 0.01 -0.81 -1.23 0.00 0.00 174.94 173.10 3pgh n PRO 280 N 6.12 0.01 -0.03 2.79 -0.04 -1.26 -4.91 135.00 137.68 3pgh n PRO 280 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3pgh n PRO 280 Cb 0.42 -1.01 -0.00 0.00 -0.04 0.00 0.00 33.50 32.87 3pgh n PRO 280 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3pgh n GLU 281 N 0.47 -0.07 -0.11 0.54 2.13 -1.26 -4.72 120.64 117.62 3pgh n GLU 281 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3pgh n GLU 281 Cb 0.00 -0.09 0.00 0.00 0.27 0.00 0.00 31.44 31.63 3pgh n GLU 281 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3pgh n ASN 282 N -1.49 0.00 0.00 4.31 6.94 -1.26 -3.55 115.26 120.21 3pgh n ASN 282 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3pgh n ASN 282 Cb 0.02 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 36.56 3pgh n ASN 282 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3pgh n LEU 283 N 0.00 0.18 -4.42 -4.53 4.77 -1.26 -4.90 117.00 106.84 3pgh n LEU 283 Ca 0.00 -0.18 -0.44 0.00 -0.03 0.00 0.00 56.01 55.36 3pgh n LEU 283 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3pgh n LEU 283 CO 0.00 0.04 1.38 0.00 -1.33 0.00 0.00 177.39 177.48 3pgh n GLN 284 N -0.02 3.40 -2.19 3.23 6.02 -1.23 -4.83 117.38 121.76 3pgh n GLN 284 Ca 0.00 -3.89 -0.37 0.00 -0.01 0.00 0.00 57.00 52.73 3pgh n GLN 284 Cb 0.30 -2.99 0.00 0.00 1.02 0.00 0.00 30.24 28.57 3pgh n GLN 284 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3pgh s PHE 285 N 1.23 2.75 0.00 1.08 0.08 -1.26 -1.29 117.98 120.57 3pgh s PHE 285 Ca 0.42 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.98 3pgh s PHE 285 Cb -0.03 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 3pgh s PHE 285 CO -0.00 -1.71 0.13 0.00 -0.10 0.00 0.00 175.22 173.54 3pgh n ALA 286 N -0.74 -0.06 0.00 5.36 0.00 0.20 -4.71 120.51 120.56 3pgh n ALA 286 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3pgh n ALA 286 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3pgh n ALA 286 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3pgh n VAL 287 N -1.73 0.00 0.00 0.00 0.24 -1.26 -4.63 118.33 110.95 3pgh n VAL 287 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3pgh n VAL 287 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3pgh n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3pgh n GLY 288 N 0.00 3.88 3.59 7.63 0.00 -1.26 -4.40 105.19 114.63 3pgh n GLY 288 Ca 0.00 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 3pgh n GLY 288 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3pgh s GLN 289 N 0.00 3.93 0.04 1.61 -0.44 -0.95 -4.13 119.66 119.72 3pgh s GLN 289 Ca 0.00 -0.15 0.03 0.00 -2.50 0.00 0.00 55.36 52.74 3pgh s GLN 289 Cb 0.00 -3.68 0.16 0.00 -1.64 0.00 0.00 33.01 27.85 3pgh s GLN 289 CO 0.00 -0.28 1.09 -0.85 0.50 0.00 0.00 175.29 175.76 3pgh n GLU 290 N 5.24 0.02 0.00 1.67 0.28 -1.26 -2.50 120.64 124.09 3pgh n GLU 290 Ca -0.10 0.51 0.07 0.00 -0.16 0.00 0.00 57.16 57.48 3pgh n GLU 290 Cb 0.51 -1.56 0.03 0.00 1.43 0.00 0.00 31.44 31.85 3pgh n GLU 290 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 3pgh n VAL 291 N -1.59 0.00 0.84 3.84 3.14 -1.26 0.15 118.33 123.45 3pgh n VAL 291 Ca -0.00 -0.42 0.07 0.00 -2.96 0.00 0.00 64.34 61.03 3pgh n VAL 291 Cb 0.01 1.22 0.41 0.00 -1.06 0.00 0.00 33.84 34.42 3pgh n VAL 291 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3pgh n PHE 292 N 0.25 0.00 0.75 1.45 3.01 -1.04 -1.90 117.46 119.98 3pgh n PHE 292 Ca 0.07 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.65 3pgh n PHE 292 Cb 0.32 -0.05 0.26 0.00 -0.01 0.00 0.00 39.48 40.00 3pgh n PHE 292 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3pgh n GLY 293 N -0.12 -1.40 0.05 1.37 0.00 -1.26 -3.65 105.19 100.18 3pgh n GLY 293 Ca 0.10 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.98 3pgh n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pgh n LEU 294 N -1.88 0.27 -3.66 0.99 4.77 -0.80 -4.18 117.00 112.52 3pgh n LEU 294 Ca 0.05 0.55 -0.08 0.00 -0.03 0.00 0.00 56.01 56.50 3pgh n LEU 294 Cb 0.40 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 3pgh n LEU 294 CO 0.34 -0.27 0.05 0.54 -1.33 0.00 0.00 177.39 176.72 3pgh s VAL 295 N -3.09 -0.62 0.56 4.08 0.11 -1.26 -0.79 120.40 119.39 3pgh s VAL 295 Ca 0.08 0.15 0.35 0.00 -2.93 0.00 0.00 61.98 59.63 3pgh s VAL 295 Cb 0.12 -0.70 0.52 0.00 -1.53 0.00 0.00 36.38 34.79 3pgh s VAL 295 CO 0.39 0.06 1.75 -0.65 -3.33 0.00 0.00 175.10 173.32 3pgh h PRO 296 N 8.06 0.00 -0.31 1.54 0.11 -1.82 -1.04 132.00 138.53 3pgh h PRO 296 Ca -0.18 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.84 3pgh h PRO 296 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3pgh h PRO 296 CO 0.13 0.00 -0.18 0.78 -0.21 0.00 0.00 178.00 178.52 3pgh h GLY 297 N 0.00 0.61 0.51 -0.55 0.00 -1.95 0.12 103.07 101.81 3pgh h GLY 297 Ca 0.51 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 3pgh h GLY 297 CO -0.01 0.42 -0.16 1.41 0.00 0.00 0.00 176.54 178.21 3pgh h LEU 298 N 0.51 0.20 -1.94 3.11 4.07 -1.48 -3.20 115.31 116.57 3pgh h LEU 298 Ca 0.08 -0.65 -0.02 0.00 0.08 0.00 0.00 57.88 57.37 3pgh h LEU 298 Cb 0.60 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 3pgh h LEU 298 CO 0.04 0.82 -0.11 -0.03 -1.08 0.00 0.00 178.44 178.08 3pgh h MET 299 N -0.41 0.00 -0.02 1.13 4.05 -1.35 0.19 114.93 118.52 3pgh h MET 299 Ca -0.01 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3pgh h MET 299 Cb 0.81 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.61 3pgh h MET 299 CO 0.03 0.11 -0.00 1.98 0.23 0.00 0.00 176.91 179.26 3pgh h MET 300 N 0.00 0.04 -0.32 0.39 1.85 -0.99 -1.31 114.93 114.59 3pgh h MET 300 Ca -0.00 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 58.99 3pgh h MET 300 Cb 0.31 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 3pgh h MET 300 CO 0.01 0.34 -0.15 1.88 -0.40 0.00 0.00 176.91 178.59 3pgh h TYR 301 N -0.28 0.76 -0.28 1.39 0.05 -1.44 -1.71 116.97 115.46 3pgh h TYR 301 Ca 0.01 -0.19 0.08 0.00 0.05 0.00 0.00 58.73 58.68 3pgh h TYR 301 Cb 0.33 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3pgh h TYR 301 CO 0.03 0.88 0.20 0.00 -1.05 0.00 0.00 178.16 178.23 3pgh h ALA 302 N 0.77 2.26 0.08 3.88 0.00 -0.63 0.45 119.26 126.06 3pgh h ALA 302 Ca 0.07 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 3pgh h ALA 302 Cb 0.68 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3pgh h ALA 302 CO 0.05 -0.35 -1.47 1.15 0.00 0.00 0.00 179.25 178.62 3pgh h THR 303 N 0.00 1.19 -0.66 0.00 2.02 -1.00 -2.88 112.91 111.59 3pgh h THR 303 Ca 0.13 -2.88 -0.07 0.00 0.77 0.00 0.00 66.41 64.36 3pgh h THR 303 Cb 0.54 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.64 3pgh h THR 303 CO -0.00 0.80 0.12 0.40 0.37 0.00 0.00 175.52 177.20 3pgh h ILE 304 N 0.05 1.26 -0.03 3.11 2.04 -0.19 -1.52 117.51 122.23 3pgh h ILE 304 Ca -0.21 -1.01 -0.17 0.00 1.00 0.00 0.00 64.86 64.47 3pgh h ILE 304 Cb 1.97 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3pgh h ILE 304 CO 0.14 0.38 -0.73 -0.50 0.00 0.00 0.00 178.15 177.44 3pgh h TRP 305 N 1.00 0.26 -0.02 1.37 4.06 -1.09 -1.07 115.95 120.46 3pgh h TRP 305 Ca 0.20 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 3pgh h TRP 305 Cb 0.42 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3pgh h TRP 305 CO 0.03 0.85 0.01 1.25 -3.56 0.00 0.00 178.44 177.03 3pgh h LEU 306 N 0.13 0.03 -0.71 -4.49 6.46 -1.30 -1.45 115.31 113.98 3pgh h LEU 306 Ca -0.02 -0.12 0.12 0.00 -0.12 0.00 0.00 57.88 57.74 3pgh h LEU 306 Cb 1.29 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 41.13 3pgh h LEU 306 CO 0.11 0.14 0.30 0.03 -0.62 0.00 0.00 178.44 178.40 3pgh h ARG 307 N -0.08 0.46 -0.09 1.25 3.08 -1.07 -2.36 114.38 115.58 3pgh h ARG 307 Ca 0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3pgh h ARG 307 Cb 0.12 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3pgh h ARG 307 CO -0.00 0.31 0.05 1.49 -1.07 0.00 0.00 179.97 180.75 3pgh h GLU 308 N 0.48 0.12 -0.02 0.04 4.57 -0.76 -1.07 114.58 117.92 3pgh h GLU 308 Ca 0.37 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.58 3pgh h GLU 308 Cb 0.50 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 3pgh h GLU 308 CO -0.35 0.12 -0.35 1.25 -1.18 0.00 0.00 179.01 178.50 3pgh h HIS 309 N 0.09 -0.98 -0.74 0.92 2.76 -0.81 -1.18 115.15 115.20 3pgh h HIS 309 Ca 0.03 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.37 3pgh h HIS 309 Cb 0.03 0.43 -0.09 0.00 1.55 0.00 0.00 27.41 29.33 3pgh h HIS 309 CO -0.06 -0.44 0.31 1.96 -1.30 0.00 0.00 177.93 178.40 3pgh h GLN 310 N -0.49 0.46 -0.12 5.26 7.50 -1.22 -0.63 115.11 125.87 3pgh h GLN 310 Ca 0.06 -0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.21 3pgh h GLN 310 Cb 0.59 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.99 3pgh h GLN 310 CO -0.30 0.30 -0.01 -0.09 -1.50 0.00 0.00 178.83 177.24 3pgh h ARG 311 N 0.47 0.03 -0.77 1.46 2.43 -0.37 -1.97 114.38 115.67 3pgh h ARG 311 Ca 0.40 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 3pgh h ARG 311 Cb 0.57 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 3pgh h ARG 311 CO -0.37 0.02 0.42 0.28 -1.51 0.00 0.00 179.97 178.81 3pgh h VAL 312 N 0.03 1.23 -0.98 0.20 2.07 -0.54 -1.44 116.25 116.82 3pgh h VAL 312 Ca 0.06 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 67.15 3pgh h VAL 312 Cb 0.07 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 29.94 3pgh h VAL 312 CO -0.10 0.25 0.61 0.00 0.02 0.00 0.00 177.57 178.34 3pgh h ASP 314 N 0.94 0.92 -0.60 0.00 3.32 -0.71 0.09 116.42 120.37 3pgh h ASP 314 Ca 0.50 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3pgh h ASP 314 Cb 0.53 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3pgh h ASP 314 CO -0.28 1.13 0.06 0.40 -1.72 0.00 0.00 179.24 178.83 3pgh h ILE 315 N 0.71 1.26 0.16 0.35 2.04 0.00 -2.26 117.51 119.78 3pgh h ILE 315 Ca 0.09 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3pgh h ILE 315 Cb 0.80 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3pgh h ILE 315 CO 0.07 0.39 -0.08 -0.07 0.00 0.00 0.00 178.15 178.46 3pgh h LEU 316 N 0.93 -0.19 -1.84 1.44 4.07 -0.60 -3.07 115.31 116.05 3pgh h LEU 316 Ca 0.18 -0.33 0.23 0.00 0.08 0.00 0.00 57.88 58.03 3pgh h LEU 316 Cb 0.48 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 3pgh h LEU 316 CO 0.02 0.29 0.60 0.50 -1.08 0.00 0.00 178.44 178.76 3pgh h LYS 317 N -0.72 0.12 -0.20 1.13 3.64 -0.96 0.44 116.57 120.02 3pgh h LYS 317 Ca -0.02 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 3pgh h LYS 317 Cb 0.51 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3pgh h LYS 317 CO 0.04 0.08 -0.37 0.37 -2.27 0.00 0.00 179.45 177.30 3pgh h GLN 318 N 0.13 0.43 0.00 1.90 5.75 -1.32 -2.91 115.11 119.09 3pgh h GLN 318 Ca 0.42 -0.20 -0.20 0.00 -0.15 0.00 0.00 58.65 58.52 3pgh h GLN 318 Cb 1.45 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.97 3pgh h GLN 318 CO -0.06 0.74 -1.02 0.93 -2.65 0.00 0.00 178.83 176.77 3pgh h GLU 319 N 0.36 0.00 -2.57 1.69 4.39 -0.26 -3.41 114.58 114.78 3pgh h GLU 319 Ca 0.04 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.14 3pgh h GLU 319 Cb 0.82 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.07 3pgh h GLU 319 CO 0.07 0.81 -0.79 0.72 -1.16 0.00 0.00 179.01 178.66 3pgh n HIS 320 N -3.27 1.35 0.28 4.33 8.25 0.98 -4.89 115.22 122.25 3pgh n HIS 320 Ca -0.02 -3.84 0.13 0.00 -0.26 0.00 0.00 57.72 53.73 3pgh n HIS 320 Cb 0.91 -0.26 0.83 0.00 1.12 0.00 0.00 29.99 32.59 3pgh n HIS 320 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3pgh h PRO 321 N 5.14 0.00 0.00 -0.41 0.11 -1.78 -1.42 132.00 133.64 3pgh h PRO 321 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3pgh h PRO 321 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3pgh h PRO 321 CO 0.58 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.30 3pgh h GLU 322 N 0.00 0.00 -7.25 1.05 3.07 -1.90 -3.47 114.58 106.08 3pgh h GLU 322 Ca 0.01 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.35 3pgh h GLU 322 Cb 0.03 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.09 3pgh h GLU 322 CO -0.00 0.00 0.32 -1.58 -1.40 0.00 0.00 179.01 176.35 3pgh s TRP 323 N -3.26 2.22 0.49 4.33 0.52 -0.53 -5.06 118.94 117.64 3pgh s TRP 323 Ca 0.06 1.63 0.05 0.00 0.02 0.00 0.00 56.10 57.87 3pgh s TRP 323 Cb 0.06 -3.24 -0.00 0.00 -1.15 0.00 0.00 33.47 29.13 3pgh s TRP 323 CO 0.65 -2.22 0.27 0.20 0.02 0.00 0.00 176.95 175.87 3pgh s GLY 324 N -2.75 2.45 0.41 0.98 0.00 -1.26 -4.99 107.32 102.16 3pgh s GLY 324 Ca 0.67 -1.43 0.18 0.00 0.00 0.00 0.00 44.72 44.14 3pgh s GLY 324 CO 0.51 -1.96 1.82 -1.80 0.00 0.00 0.00 173.10 171.67 3pgh h ASP 325 N 1.08 0.42 -0.00 1.64 3.58 -1.92 -2.24 116.42 118.97 3pgh h ASP 325 Ca -0.40 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 3pgh h ASP 325 Cb 1.29 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.32 3pgh h ASP 325 CO 0.64 0.13 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.76 3pgh h GLU 326 N 0.40 0.03 0.00 0.28 4.39 -1.95 -1.90 114.58 115.82 3pgh h GLU 326 Ca 0.53 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.18 3pgh h GLU 326 Cb 1.35 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3pgh h GLU 326 CO -0.22 0.77 -0.09 0.37 -1.16 0.00 0.00 179.01 178.67 3pgh h GLN 327 N -0.69 0.00 0.00 2.33 4.15 -1.92 0.35 115.11 119.32 3pgh h GLN 327 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3pgh h GLN 327 Cb 0.78 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3pgh h GLN 327 CO 0.01 0.09 -0.00 -0.07 -1.93 0.00 0.00 178.83 176.92 3pgh h LEU 328 N 0.00 0.00 0.46 -2.39 3.38 -1.45 -2.60 115.31 112.71 3pgh h LEU 328 Ca -0.00 -0.80 -0.02 0.00 0.09 0.00 0.00 57.88 57.15 3pgh h LEU 328 Cb 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3pgh h LEU 328 CO 0.01 0.80 -0.26 0.15 0.09 0.00 0.00 178.44 179.23 3pgh h PHE 329 N -0.79 -0.69 -1.01 1.13 3.04 -0.61 -1.45 116.94 116.56 3pgh h PHE 329 Ca -0.00 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.18 3pgh h PHE 329 Cb 0.80 0.24 -0.10 0.00 2.56 0.00 0.00 35.95 39.45 3pgh h PHE 329 CO 0.21 -0.40 0.64 1.96 -2.02 0.00 0.00 178.31 178.70 3pgh h GLN 330 N -0.66 0.48 -0.10 1.11 1.08 -0.49 -0.51 115.11 116.02 3pgh h GLN 330 Ca -0.06 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 56.97 3pgh h GLN 330 Cb 0.52 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3pgh h GLN 330 CO 0.08 0.32 -0.47 1.15 -0.95 0.00 0.00 178.83 178.96 3pgh h THR 331 N 0.50 1.37 -0.27 -0.54 2.02 -1.34 -2.88 112.91 111.77 3pgh h THR 331 Ca 0.59 -1.80 0.02 0.00 0.77 0.00 0.00 66.41 65.99 3pgh h THR 331 Cb 1.31 2.20 -0.03 0.00 -1.74 0.00 0.00 68.15 69.89 3pgh h THR 331 CO -0.33 0.54 0.12 0.28 0.37 0.00 0.00 175.52 176.50 3pgh h SER 332 N 0.09 0.16 -0.62 4.18 0.02 -0.41 -0.52 113.55 116.45 3pgh h SER 332 Ca -0.03 0.02 0.18 0.00 -0.84 0.00 0.00 61.79 61.12 3pgh h SER 332 Cb 1.11 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3pgh h SER 332 CO 0.10 0.13 0.45 0.50 -1.14 0.00 0.00 176.83 176.87 3pgh h LYS 333 N 0.26 0.01 0.06 3.45 3.64 -1.10 0.29 116.57 123.18 3pgh h LYS 333 Ca 0.12 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.23 3pgh h LYS 333 Cb 0.06 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3pgh h LYS 333 CO -0.10 0.01 -1.11 -0.07 -2.27 0.00 0.00 179.45 175.91 3pgh h LEU 334 N 0.01 0.68 0.06 5.20 3.38 -0.91 -2.29 115.31 121.43 3pgh h LEU 334 Ca 0.30 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3pgh h LEU 334 Cb 1.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3pgh h LEU 334 CO -0.01 1.42 -0.03 0.40 0.09 0.00 0.00 178.44 180.31 3pgh h ILE 335 N 0.24 1.16 -0.77 1.22 2.04 0.44 -1.84 117.51 120.00 3pgh h ILE 335 Ca -0.13 -0.75 0.10 0.00 1.00 0.00 0.00 64.86 65.08 3pgh h ILE 335 Cb 1.78 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 39.45 3pgh h ILE 335 CO 0.20 0.19 0.51 -0.07 0.00 0.00 0.00 178.15 178.97 3pgh h LEU 336 N -0.41 0.60 -1.17 1.44 4.07 -0.67 0.45 115.31 119.62 3pgh h LEU 336 Ca -0.01 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 3pgh h LEU 336 Cb 0.36 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 3pgh h LEU 336 CO 0.01 0.35 -0.39 0.40 -1.08 0.00 0.00 178.44 177.74 3pgh h ILE 337 N 0.66 1.29 -0.01 1.22 2.04 -1.27 -1.63 117.51 119.81 3pgh h ILE 337 Ca 0.36 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3pgh h ILE 337 Cb 0.51 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3pgh h ILE 337 CO -0.13 0.39 -0.01 1.23 0.00 0.00 0.00 178.15 179.63 3pgh h GLY 338 N 1.18 0.03 0.57 5.37 0.00 0.64 -2.51 103.07 108.35 3pgh h GLY 338 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.37 3pgh h GLY 338 CO 0.05 0.03 0.28 0.83 0.00 0.00 0.00 176.54 177.73 3pgh h GLU 339 N -0.46 0.50 -0.67 4.80 5.08 -0.80 -0.86 114.58 122.17 3pgh h GLU 339 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3pgh h GLU 339 Cb 0.51 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3pgh h GLU 339 CO 0.00 0.33 0.41 1.15 -1.00 0.00 0.00 179.01 179.90 3pgh h THR 340 N 0.52 1.07 0.00 1.13 2.02 -1.23 0.28 112.91 116.69 3pgh h THR 340 Ca 0.28 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3pgh h THR 340 Cb 0.25 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3pgh h THR 340 CO -0.23 0.15 -0.20 0.40 0.37 0.00 0.00 175.52 176.01 3pgh h ILE 341 N 0.80 0.48 0.04 3.11 2.04 -0.90 -0.17 117.51 122.90 3pgh h ILE 341 Ca 0.27 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3pgh h ILE 341 Cb 0.04 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3pgh h ILE 341 CO -0.12 0.19 -0.02 0.50 0.00 0.00 0.00 178.15 178.71 3pgh h LYS 342 N 0.00 -0.05 -0.46 2.37 1.63 0.22 -3.03 116.57 117.25 3pgh h LYS 342 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3pgh h LYS 342 Cb 0.73 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 3pgh h LYS 342 CO 0.03 0.63 0.23 0.82 -3.45 0.00 0.00 179.45 177.71 3pgh h ILE 343 N -0.86 1.18 -0.03 2.00 2.04 -0.47 -1.27 117.51 120.10 3pgh h ILE 343 Ca -0.00 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3pgh h ILE 343 Cb 0.70 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3pgh h ILE 343 CO 0.01 0.19 0.02 0.58 0.00 0.00 0.00 178.15 178.96 3pgh h VAL 344 N 0.60 0.83 0.02 1.67 2.07 -1.07 -0.12 116.25 120.24 3pgh h VAL 344 Ca 0.16 0.00 -0.39 0.00 0.82 0.00 0.00 66.70 67.29 3pgh h VAL 344 Cb 0.10 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3pgh h VAL 344 CO -0.02 0.00 -2.35 -0.38 0.02 0.00 0.00 177.57 174.83 3pgh n ILE 345 N -4.30 1.55 1.01 4.57 5.41 -1.15 -0.63 119.36 125.82 3pgh n ILE 345 Ca -0.02 -0.54 0.12 0.00 1.00 0.00 0.00 62.75 63.31 3pgh n ILE 345 Cb 0.12 -1.57 0.32 0.00 -0.71 0.00 0.00 39.64 37.79 3pgh n ILE 345 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3pgh n GLU 346 N -3.50 0.02 0.01 0.38 1.02 -0.49 -2.79 120.64 115.30 3pgh n GLU 346 Ca -0.44 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 3pgh n GLU 346 Cb 0.97 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 3pgh n GLU 346 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3pgh n ASP 347 N -1.48 0.24 0.12 1.62 8.00 -0.11 -4.57 116.55 120.37 3pgh n ASP 347 Ca 0.06 0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.52 3pgh n ASP 347 Cb 0.34 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.33 3pgh n ASP 347 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3pgh h TYR 348 N 0.00 -0.63 0.00 1.24 3.20 -1.51 0.75 116.97 120.02 3pgh h TYR 348 Ca 0.00 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3pgh h TYR 348 Cb 0.00 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3pgh h TYR 348 CO 0.00 -0.30 -0.26 0.28 -1.64 0.00 0.00 178.16 176.24 3pgh h VAL 349 N -0.44 1.15 0.65 1.81 2.07 -1.04 -1.85 116.25 118.60 3pgh h VAL 349 Ca -0.03 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 3pgh h VAL 349 Cb 0.38 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3pgh h VAL 349 CO -0.04 0.26 -0.31 -0.61 0.02 0.00 0.00 177.57 176.89 3pgh h GLN 350 N 0.00 -0.84 0.19 1.57 5.75 -1.31 0.32 115.11 120.80 3pgh h GLN 350 Ca -0.00 0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3pgh h GLN 350 Cb 0.47 0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.17 3pgh h GLN 350 CO 0.03 -0.53 -0.51 1.25 -2.65 0.00 0.00 178.83 176.42 3pgh h HIS 351 N -0.94 -1.47 -0.74 3.99 2.76 -0.68 -2.31 115.15 115.76 3pgh h HIS 351 Ca -0.09 0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.28 3pgh h HIS 351 Cb 0.69 0.61 -0.13 0.00 1.55 0.00 0.00 27.41 30.13 3pgh h HIS 351 CO -0.02 -0.61 -0.06 1.25 -1.30 0.00 0.00 177.93 177.20 3pgh h LEU 352 N -0.79 -0.46 -0.95 0.26 5.85 -1.29 -2.74 115.31 115.18 3pgh h LEU 352 Ca -0.01 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3pgh h LEU 352 Cb 0.78 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3pgh h LEU 352 CO -0.24 -0.20 0.63 0.77 -0.34 0.00 0.00 178.44 179.06 3pgh h SER 353 N 0.06 1.08 0.00 1.25 4.64 0.22 -3.46 113.55 117.34 3pgh h SER 353 Ca 0.39 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3pgh h SER 353 Cb 0.65 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3pgh h SER 353 CO -0.69 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3pgh n GLY 354 N -1.36 2.32 3.74 -0.77 0.00 -1.04 -5.00 105.19 103.08 3pgh n GLY 354 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3pgh n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pgh s TYR 355 N -2.90 2.24 -0.78 1.61 2.02 -1.26 -4.68 117.35 113.60 3pgh s TYR 355 Ca 0.00 1.55 0.24 0.00 -0.37 0.00 0.00 57.07 58.49 3pgh s TYR 355 Cb 0.00 -3.46 0.23 0.00 -0.40 0.00 0.00 41.96 38.34 3pgh s TYR 355 CO 0.00 -2.38 1.20 0.72 -1.57 0.00 0.00 175.55 173.52 3pgh n HIS 356 N -2.21 0.21 -2.51 2.71 8.25 0.36 -4.88 115.22 117.15 3pgh n HIS 356 Ca 0.13 0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 57.24 3pgh n HIS 356 Cb 0.50 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 3pgh n HIS 356 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3pgh s PHE 357 N -3.11 3.56 -0.72 4.41 5.36 -1.26 -4.79 117.98 121.43 3pgh s PHE 357 Ca 0.07 1.54 -0.27 0.00 -0.96 0.00 0.00 56.93 57.31 3pgh s PHE 357 Cb 0.15 -3.29 0.03 0.00 -0.34 0.00 0.00 43.02 39.57 3pgh s PHE 357 CO 0.76 -0.71 1.27 0.21 -1.46 0.00 0.00 175.22 175.29 3pgh s LYS 358 N 0.09 3.22 0.75 10.12 2.20 -1.26 -4.99 119.74 129.88 3pgh s LYS 358 Ca 0.52 -0.20 -0.15 0.00 -0.36 0.00 0.00 55.97 55.78 3pgh s LYS 358 Cb -0.29 -4.16 0.01 0.00 -1.51 0.00 0.00 37.83 31.88 3pgh s LYS 358 CO 0.33 -2.10 0.83 1.28 -0.36 0.00 0.00 175.35 175.33 3pgh n LEU 359 N 9.28 2.58 -3.82 5.43 4.77 -1.26 -4.98 117.00 128.99 3pgh n LEU 359 Ca 0.04 0.61 -0.15 0.00 -0.03 0.00 0.00 56.01 56.47 3pgh n LEU 359 Cb 0.49 -1.35 -0.15 0.00 -2.33 0.00 0.00 43.42 40.07 3pgh n LEU 359 CO 0.71 -2.42 -0.36 -0.75 -1.33 0.00 0.00 177.39 173.24 3pgh s LYS 360 N -3.31 0.10 -0.63 3.23 2.20 -1.26 -4.75 119.74 115.32 3pgh s LYS 360 Ca 0.70 0.08 -0.18 0.00 -0.36 0.00 0.00 55.97 56.21 3pgh s LYS 360 Cb -0.33 -0.26 0.12 0.00 -1.51 0.00 0.00 37.83 35.86 3pgh s LYS 360 CO 0.54 -0.09 0.70 0.12 -0.36 0.00 0.00 175.35 176.26 3pgh s PHE 361 N 0.68 3.13 -0.28 4.03 5.36 -1.26 -4.96 117.98 124.67 3pgh s PHE 361 Ca -0.06 -1.15 -0.02 0.00 -0.96 0.00 0.00 56.93 54.73 3pgh s PHE 361 Cb -0.09 -3.97 0.12 0.00 -0.34 0.00 0.00 43.02 38.73 3pgh s PHE 361 CO -0.02 -1.23 0.21 0.34 -1.46 0.00 0.00 175.22 173.07 3pgh s ASP 362 N 3.49 2.52 0.31 6.13 2.15 -1.26 -5.03 116.67 124.98 3pgh s ASP 362 Ca 0.12 -0.96 0.08 0.00 0.43 0.00 0.00 52.55 52.21 3pgh s ASP 362 Cb -0.23 0.09 0.84 0.00 -0.30 0.00 0.00 42.92 43.32 3pgh s ASP 362 CO 0.03 -0.41 1.73 -0.65 -0.17 0.00 0.00 175.17 175.70 3pgh h PRO 363 N 8.34 0.54 -0.32 4.34 0.11 -1.93 -2.15 132.00 140.92 3pgh h PRO 363 Ca -0.17 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.01 3pgh h PRO 363 Cb 1.05 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3pgh h PRO 363 CO 0.38 0.36 0.38 0.93 -0.21 0.00 0.00 178.00 179.84 3pgh h GLU 364 N 0.56 0.00 -0.83 1.05 5.08 -1.96 -1.43 114.58 117.06 3pgh h GLU 364 Ca 0.62 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 59.15 3pgh h GLU 364 Cb 1.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 3pgh h GLU 364 CO -0.48 0.00 0.55 -0.07 -1.00 0.00 0.00 179.01 178.01 3pgh h LEU 365 N 0.00 0.43 -2.60 1.33 3.38 -1.80 -0.95 115.31 115.09 3pgh h LEU 365 Ca 0.15 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3pgh h LEU 365 Cb 0.91 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3pgh h LEU 365 CO -0.00 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.91 3pgh n LEU 366 N -4.50 3.70 0.27 1.67 4.77 -0.54 -4.26 117.00 118.12 3pgh n LEU 366 Ca 0.17 -1.82 0.17 0.00 -0.03 0.00 0.00 56.01 54.49 3pgh n LEU 366 Cb 0.59 -0.39 0.65 0.00 -2.33 0.00 0.00 43.42 41.94 3pgh n LEU 366 CO 0.32 0.88 0.97 -0.26 -1.33 0.00 0.00 177.39 177.97 3pgh h PHE 367 N 4.17 0.00 -0.33 -1.77 -1.00 -1.26 -2.39 116.94 114.36 3pgh h PHE 367 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3pgh h PHE 367 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 3pgh h PHE 367 CO 0.39 0.02 0.00 0.27 -1.61 0.00 0.00 178.31 177.37 3pgh n ASN 368 N -3.12 3.34 -4.35 2.17 6.94 -1.26 -4.99 115.26 113.99 3pgh n ASN 368 Ca 0.01 -2.38 -0.25 0.00 -0.02 0.00 0.00 54.58 51.94 3pgh n ASN 368 Cb 0.32 -0.36 -0.12 0.00 -2.36 0.00 0.00 39.78 37.27 3pgh n ASN 368 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3pgh s GLN 369 N -1.68 1.31 -0.06 -3.83 -1.52 -0.90 -5.08 119.66 107.89 3pgh s GLN 369 Ca 0.31 -1.36 -0.30 0.00 -1.95 0.00 0.00 55.36 52.06 3pgh s GLN 369 Cb 0.21 -1.54 -0.03 0.00 -0.22 0.00 0.00 33.01 31.42 3pgh s GLN 369 CO 0.14 0.34 1.26 -0.65 -0.25 0.00 0.00 175.29 176.12 3pgh s GLN 370 N -2.42 4.32 -0.29 2.91 -0.21 -1.26 -4.96 119.66 117.75 3pgh s GLN 370 Ca 0.14 1.74 -0.15 0.00 0.02 0.00 0.00 55.36 57.11 3pgh s GLN 370 Cb -0.08 -3.60 0.10 0.00 1.00 0.00 0.00 33.01 30.43 3pgh s GLN 370 CO 0.07 -0.52 0.75 0.12 -2.12 0.00 0.00 175.29 173.59 3pgh s PHE 371 N 2.48 -1.00 -0.25 0.91 5.36 -1.26 -5.09 117.98 119.13 3pgh s PHE 371 Ca 0.57 1.94 -0.24 0.00 -0.96 0.00 0.00 56.93 58.25 3pgh s PHE 371 Cb -0.26 0.60 -0.00 0.00 -0.34 0.00 0.00 43.02 43.02 3pgh s PHE 371 CO 0.22 -0.50 0.81 -0.65 -1.46 0.00 0.00 175.22 173.64 3pgh s GLN 372 N 1.81 4.15 -1.36 10.12 -1.52 -1.26 -4.96 119.66 126.64 3pgh s GLN 372 Ca -0.09 0.87 -0.10 0.00 -1.95 0.00 0.00 55.36 54.09 3pgh s GLN 372 Cb -0.06 -3.66 0.11 0.00 -0.22 0.00 0.00 33.01 29.19 3pgh s GLN 372 CO -0.19 -0.54 2.08 0.66 -0.25 0.00 0.00 175.29 177.05 3pgh n TYR 373 N 6.02 3.06 -3.54 0.91 4.01 -1.26 -4.66 117.16 121.70 3pgh n TYR 373 Ca 0.05 -2.86 -0.10 0.00 -0.16 0.00 0.00 57.90 54.83 3pgh n TYR 373 Cb 0.48 -2.15 -0.02 0.00 -0.31 0.00 0.00 39.34 37.34 3pgh n TYR 373 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3pgh s GLN 374 N 1.20 1.32 -0.16 -0.72 -2.07 -1.22 -4.61 119.66 113.40 3pgh s GLN 374 Ca 0.44 -0.57 -0.28 0.00 -1.82 0.00 0.00 55.36 53.14 3pgh s GLN 374 Cb 0.12 0.56 0.07 0.00 -1.09 0.00 0.00 33.01 32.67 3pgh s GLN 374 CO -0.03 -0.59 0.70 1.21 -1.32 0.00 0.00 175.29 175.26 3pgh s ASN 375 N -2.76 -0.70 -0.11 12.60 2.47 -1.26 -4.70 114.94 120.48 3pgh s ASN 375 Ca 0.04 1.09 -0.01 0.00 0.42 0.00 0.00 52.86 54.40 3pgh s ASN 375 Cb -0.02 1.01 0.03 0.00 -1.45 0.00 0.00 41.25 40.81 3pgh s ASN 375 CO -0.08 -0.43 -0.06 -0.60 -3.72 0.00 0.00 177.10 172.21 3pgh s ARG 376 N -0.40 1.38 0.14 0.43 6.06 -1.26 -4.76 118.95 120.54 3pgh s ARG 376 Ca -0.05 -0.20 -0.31 0.00 -2.50 0.00 0.00 55.73 52.67 3pgh s ARG 376 Cb -0.03 -1.49 -0.08 0.00 0.06 0.00 0.00 34.95 33.41 3pgh s ARG 376 CO 0.05 -0.28 1.33 0.96 -2.50 0.00 0.00 175.30 174.86 3pgh s ILE 377 N 1.75 3.37 0.07 4.11 -4.36 -1.26 -4.70 121.20 120.19 3pgh s ILE 377 Ca 0.05 1.04 -0.14 0.00 -0.26 0.00 0.00 60.65 61.35 3pgh s ILE 377 Cb -0.13 -3.67 -0.06 0.00 1.25 0.00 0.00 42.46 39.86 3pgh s ILE 377 CO -0.08 0.11 0.46 0.00 0.24 0.00 0.00 174.94 175.68 3pgh s ALA 378 N 0.66 3.66 0.44 2.27 0.00 -1.26 0.02 121.76 127.55 3pgh s ALA 378 Ca 0.60 -0.21 0.12 0.00 0.00 0.00 0.00 51.96 52.47 3pgh s ALA 378 Cb -0.36 -2.42 0.98 0.00 0.00 0.00 0.00 23.12 21.33 3pgh s ALA 378 CO 0.33 0.49 2.03 0.66 0.00 0.00 0.00 175.76 179.28 3pgh h SER 379 N 4.08 0.18 -0.16 0.00 4.64 -1.21 -1.22 113.55 119.86 3pgh h SER 379 Ca -0.50 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 60.85 3pgh h SER 379 Cb 1.20 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3pgh h SER 379 CO 0.64 0.23 0.17 -0.33 -0.87 0.00 0.00 176.83 176.67 3pgh h GLU 380 N 0.20 0.00 0.00 4.77 3.07 -1.95 0.92 114.58 121.59 3pgh h GLU 380 Ca 0.05 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.73 3pgh h GLU 380 Cb 0.15 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 3pgh h GLU 380 CO 0.00 0.00 -0.88 0.35 -1.40 0.00 0.00 179.01 177.09 3pgh h PHE 381 N 0.00 0.00 -0.10 4.33 3.57 -1.62 -1.16 116.94 121.96 3pgh h PHE 381 Ca 0.08 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3pgh h PHE 381 Cb 0.41 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3pgh h PHE 381 CO 0.00 0.87 -0.10 -0.97 -2.23 0.00 0.00 178.31 175.88 3pgh h ASN 382 N 0.00 0.26 -0.09 0.41 -0.00 0.93 -2.52 115.58 114.57 3pgh h ASN 382 Ca -0.01 -0.49 -0.01 0.00 -0.00 0.00 0.00 56.30 55.79 3pgh h ASN 382 Cb 1.67 -0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 39.92 3pgh h ASN 382 CO 0.11 0.70 0.01 0.74 -0.00 0.00 0.00 177.43 178.99 3pgh h THR 383 N -0.17 1.23 0.00 -3.57 2.02 -1.02 -2.73 112.91 108.67 3pgh h THR 383 Ca 0.02 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3pgh h THR 383 Cb 0.62 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3pgh h THR 383 CO 0.03 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.12 3pgh n LEU 384 N -4.85 0.42 -1.20 2.58 -0.00 -0.44 -2.26 117.00 111.25 3pgh n LEU 384 Ca -0.06 0.62 0.10 0.00 -0.00 0.00 0.00 56.01 56.67 3pgh n LEU 384 Cb 0.18 -0.58 0.29 0.00 -0.00 0.00 0.00 43.42 43.30 3pgh n LEU 384 CO 0.35 -0.51 0.74 0.00 -0.00 0.00 0.00 177.39 177.96 3pgh n TYR 385 N -1.98 0.88 -2.60 1.47 4.19 -0.95 -4.72 117.16 113.45 3pgh n TYR 385 Ca 0.02 -0.43 -0.43 0.00 3.31 0.00 0.00 57.90 60.36 3pgh n TYR 385 Cb 0.17 -0.01 -0.00 0.00 0.49 0.00 0.00 39.34 39.99 3pgh n TYR 385 CO 0.00 0.00 0.00 -1.01 0.91 0.00 0.00 176.86 176.76 3pgh s HIS 386 N -1.17 2.81 -0.43 2.98 3.76 -0.96 -4.82 115.29 117.47 3pgh s HIS 386 Ca 0.43 -1.65 -0.04 0.00 -0.15 0.00 0.00 55.06 53.66 3pgh s HIS 386 Cb 0.23 -4.74 0.07 0.00 1.11 0.00 0.00 32.58 29.24 3pgh s HIS 386 CO 0.29 -1.79 2.73 0.91 -0.85 0.00 0.00 174.74 176.03 3pgh n TRP 387 N 8.28 1.54 0.15 1.40 8.01 -1.26 -4.64 117.44 130.92 3pgh n TRP 387 Ca 0.48 -1.93 0.13 0.00 -1.31 0.00 0.00 57.50 54.87 3pgh n TRP 387 Cb 0.46 -1.35 0.65 0.00 -2.01 0.00 0.00 31.31 29.06 3pgh n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3pgh h HIS 388 N 2.85 0.01 0.00 -5.99 3.86 -1.98 -2.90 115.15 111.01 3pgh h HIS 388 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 3pgh h HIS 388 Cb 0.77 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 3pgh h HIS 388 CO 1.42 0.01 0.00 -2.30 0.86 0.00 0.00 177.93 177.91 3pgh n PRO 389 N -4.47 0.57 -0.01 2.45 -0.02 -1.26 -1.67 135.00 130.59 3pgh n PRO 389 Ca 0.02 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 3pgh n PRO 389 Cb 0.30 -1.22 -0.02 0.00 -0.02 0.00 0.00 33.50 32.54 3pgh n PRO 389 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3pgh n LEU 390 N 1.00 0.00 -4.68 2.45 4.77 -1.10 -2.98 117.00 116.46 3pgh n LEU 390 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3pgh n LEU 390 Cb 0.28 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3pgh n LEU 390 CO 0.00 0.02 1.15 -0.76 -1.33 0.00 0.00 177.39 176.48 3pgh s LEU 391 N -3.56 4.31 0.00 2.23 1.43 -0.67 -1.56 118.68 120.86 3pgh s LEU 391 Ca -0.01 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.02 3pgh s LEU 391 Cb 0.02 -3.56 0.25 0.00 0.03 0.00 0.00 46.19 42.93 3pgh s LEU 391 CO 0.12 -0.75 1.21 -0.81 0.23 0.00 0.00 176.35 176.35 3pgh n PRO 392 N 5.62 -2.03 0.16 1.29 -0.04 -1.26 -4.68 135.00 134.07 3pgh n PRO 392 Ca 0.14 -1.89 0.06 0.00 -0.04 0.00 0.00 63.50 61.77 3pgh n PRO 392 Cb 0.43 -1.45 0.07 0.00 -0.04 0.00 0.00 33.50 32.51 3pgh n PRO 392 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3pgh h ASP 393 N -2.11 0.00 -4.58 3.54 3.32 -1.95 -3.45 116.42 111.18 3pgh h ASP 393 Ca -0.41 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.48 3pgh h ASP 393 Cb 1.19 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.51 3pgh h ASP 393 CO 0.28 0.29 -0.50 0.42 -1.72 0.00 0.00 179.24 178.02 3pgh s THR 394 N -3.07 0.06 -0.50 0.35 -4.23 -1.26 -4.25 115.64 102.73 3pgh s THR 394 Ca 0.04 -0.46 -0.17 0.00 -1.18 0.00 0.00 61.69 59.92 3pgh s THR 394 Cb 0.07 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 73.61 3pgh s THR 394 CO 0.73 -0.25 0.51 -0.36 -0.54 0.00 0.00 174.62 174.70 3pgh s PHE 395 N -0.90 3.16 -0.71 3.99 0.08 0.77 -4.84 117.98 119.53 3pgh s PHE 395 Ca -0.10 -0.82 -0.22 0.00 0.12 0.00 0.00 56.93 55.91 3pgh s PHE 395 Cb -0.05 -3.41 0.08 0.00 -0.57 0.00 0.00 43.02 39.07 3pgh s PHE 395 CO 0.01 -0.93 1.00 -0.80 -0.10 0.00 0.00 175.22 174.40 3pgh s ASN 396 N 2.78 6.26 -0.72 1.36 0.02 -1.26 0.33 114.94 123.72 3pgh s ASN 396 Ca 0.08 -1.21 -0.09 0.00 -1.02 0.00 0.00 52.86 50.62 3pgh s ASN 396 Cb -0.23 -2.41 0.19 0.00 0.02 0.00 0.00 41.25 38.81 3pgh s ASN 396 CO 0.08 -1.36 0.60 -0.63 0.02 0.00 0.00 177.10 175.81 3pgh s ILE 397 N 3.78 4.74 0.00 0.60 1.01 -0.74 -4.61 121.20 125.98 3pgh s ILE 397 Ca 0.24 -2.61 0.00 0.00 0.00 0.00 0.00 60.65 58.28 3pgh s ILE 397 Cb -0.15 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3pgh s ILE 397 CO 0.06 -0.95 0.00 -0.62 0.00 0.00 0.00 174.94 173.43 3pgh n GLU 398 N 3.86 0.00 -0.02 2.79 -0.58 -1.26 -2.62 120.64 122.81 3pgh n GLU 398 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3pgh n GLU 398 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 3pgh n GLU 398 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3pgh n ASP 399 N 0.33 -0.02 -3.60 1.62 2.03 -1.26 -5.06 116.55 110.59 3pgh n ASP 399 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 3pgh n ASP 399 Cb 0.00 -0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 3pgh n ASP 399 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3pgh s GLN 400 N -0.98 1.25 -0.42 -0.67 -1.52 -1.08 -5.10 119.66 111.14 3pgh s GLN 400 Ca 0.00 -0.68 0.06 0.00 -1.95 0.00 0.00 55.36 52.79 3pgh s GLN 400 Cb 0.00 0.53 0.22 0.00 -0.22 0.00 0.00 33.01 33.53 3pgh s GLN 400 CO 0.00 -0.53 0.53 0.39 -0.25 0.00 0.00 175.29 175.43 3pgh n GLU 401 N -0.32 0.52 -1.74 2.91 1.02 -1.25 -1.80 120.64 119.99 3pgh n GLU 401 Ca -0.14 -2.89 -0.37 0.00 -0.02 0.00 0.00 57.16 53.74 3pgh n GLU 401 Cb 0.64 -1.43 0.07 0.00 -0.02 0.00 0.00 31.44 30.70 3pgh n GLU 401 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3pgh s TYR 402 N -0.31 2.08 0.40 -0.32 1.51 0.15 -4.58 117.35 116.28 3pgh s TYR 402 Ca 0.33 1.47 -0.03 0.00 -1.01 0.00 0.00 57.07 57.84 3pgh s TYR 402 Cb 0.12 -3.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.21 3pgh s TYR 402 CO -0.15 -2.96 0.66 -1.54 -1.11 0.00 0.00 175.55 170.45 3pgh s SER 403 N -1.36 6.31 0.32 2.29 1.04 -1.26 -0.16 113.70 120.89 3pgh s SER 403 Ca 0.82 0.72 0.10 0.00 0.48 0.00 0.00 55.95 58.07 3pgh s SER 403 Cb -0.38 -2.15 0.92 0.00 0.10 0.00 0.00 66.02 64.51 3pgh s SER 403 CO 0.40 -0.40 1.72 -0.26 0.98 0.00 0.00 173.24 175.68 3pgh h PHE 404 N 0.70 1.00 -0.18 5.02 -1.00 -1.94 0.25 116.94 120.78 3pgh h PHE 404 Ca -0.48 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.33 3pgh h PHE 404 Cb 1.21 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 3pgh h PHE 404 CO 0.55 0.03 0.09 0.87 -1.61 0.00 0.00 178.31 178.24 3pgh h LYS 405 N 0.54 0.25 0.00 1.51 6.56 -1.95 -1.35 116.57 122.13 3pgh h LYS 405 Ca 0.66 -0.02 -0.15 0.00 -1.06 0.00 0.00 60.65 60.08 3pgh h LYS 405 Cb 1.29 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.87 3pgh h LYS 405 CO -0.50 0.20 -1.89 1.04 -2.06 0.00 0.00 179.45 176.23 3pgh n GLN 406 N -4.48 0.65 -0.03 3.15 6.02 0.58 -4.41 117.38 118.87 3pgh n GLN 406 Ca -0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 3pgh n GLN 406 Cb 0.10 -1.61 -0.11 0.00 1.02 0.00 0.00 30.24 29.64 3pgh n GLN 406 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3pgh h PHE 407 N 0.00 0.01 -2.02 1.08 3.57 -0.44 -3.41 116.94 115.73 3pgh h PHE 407 Ca -0.20 -0.01 -0.64 0.00 3.53 0.00 0.00 57.97 60.65 3pgh h PHE 407 Cb 1.51 -0.00 0.07 0.00 2.79 0.00 0.00 35.95 40.32 3pgh h PHE 407 CO 0.00 0.67 0.43 1.28 -2.23 0.00 0.00 178.31 178.46 3pgh n LEU 408 N -4.76 1.96 -0.08 0.59 4.77 -0.53 -1.93 117.00 117.01 3pgh n LEU 408 Ca -0.09 1.13 -0.01 0.00 -0.03 0.00 0.00 56.01 57.01 3pgh n LEU 408 Cb 0.33 -1.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.16 3pgh n LEU 408 CO 0.34 -1.00 -0.01 -1.22 -1.33 0.00 0.00 177.39 174.17 3pgh n TYR 409 N 2.04 -0.01 -3.27 -1.77 4.01 0.03 -4.91 117.16 113.28 3pgh n TYR 409 Ca 0.16 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.44 3pgh n TYR 409 Cb 0.25 -1.83 -0.00 0.00 -0.31 0.00 0.00 39.34 37.44 3pgh n TYR 409 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3pgh s ASN 410 N -1.72 7.20 0.00 7.72 3.84 -0.81 -4.80 114.94 126.37 3pgh s ASN 410 Ca 0.00 -3.36 0.31 0.00 0.21 0.00 0.00 52.86 50.02 3pgh s ASN 410 Cb 0.00 -2.24 1.62 0.00 -0.55 0.00 0.00 41.25 40.08 3pgh s ASN 410 CO 0.00 -0.41 2.08 0.59 -2.79 0.00 0.00 177.10 176.57 3pgh n ASN 411 N 3.38 0.28 0.16 -4.21 5.03 -1.26 -2.80 115.26 115.84 3pgh n ASN 411 Ca 0.24 -0.86 0.02 0.00 0.87 0.00 0.00 54.58 54.86 3pgh n ASN 411 Cb 0.41 -0.06 0.27 0.00 -1.02 0.00 0.00 39.78 39.38 3pgh n ASN 411 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3pgh h SER 412 N 0.41 0.00 -0.58 6.41 0.02 -1.93 -1.26 113.55 116.63 3pgh h SER 412 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3pgh h SER 412 Cb 0.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3pgh h SER 412 CO 0.00 0.48 0.15 0.40 -1.14 0.00 0.00 176.83 176.73 3pgh h ILE 413 N 0.00 1.25 0.28 3.27 2.04 -1.92 0.83 117.51 123.25 3pgh h ILE 413 Ca -0.00 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3pgh h ILE 413 Cb 0.95 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3pgh h ILE 413 CO 0.06 0.32 -0.13 0.25 0.00 0.00 0.00 178.15 178.65 3pgh h LEU 414 N 0.82 -0.31 -1.72 1.44 5.85 -1.57 0.26 115.31 120.08 3pgh h LEU 414 Ca 0.18 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3pgh h LEU 414 Cb 0.33 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3pgh h LEU 414 CO -0.00 -0.13 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.78 3pgh h LEU 415 N -0.49 0.02 -0.31 2.25 3.38 -1.11 0.40 115.31 119.45 3pgh h LEU 415 Ca -0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3pgh h LEU 415 Cb 0.37 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3pgh h LEU 415 CO 0.06 0.15 0.05 -0.33 0.09 0.00 0.00 178.44 178.46 3pgh h GLU 416 N 0.02 0.52 0.00 1.13 4.39 0.17 -3.37 114.58 117.44 3pgh h GLU 416 Ca 0.00 -0.14 -0.42 0.00 0.34 0.00 0.00 59.36 59.15 3pgh h GLU 416 Cb 0.24 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.76 3pgh h GLU 416 CO 0.02 0.62 -2.47 0.72 -1.16 0.00 0.00 179.01 176.73 3pgh n HIS 417 N -4.61 0.00 -1.63 4.33 8.25 0.82 -5.05 115.22 117.32 3pgh n HIS 417 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3pgh n HIS 417 Cb 0.22 -0.97 -0.00 0.00 1.12 0.00 0.00 29.99 30.35 3pgh n HIS 417 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3pgh n GLY 418 N 1.78 -3.12 1.63 -1.41 0.00 0.14 -4.41 105.19 99.80 3pgh n GLY 418 Ca -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3pgh n GLY 418 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pgh n LEU 419 N 0.15 0.00 0.06 0.99 4.77 -1.26 -2.66 117.00 119.05 3pgh n LEU 419 Ca -0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 3pgh n LEU 419 Cb 0.04 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3pgh n LEU 419 CO 0.05 0.00 0.56 0.74 -1.33 0.00 0.00 177.39 177.41 3pgh h THR 420 N 0.00 0.09 -2.37 -5.08 2.02 -1.94 0.45 112.91 106.08 3pgh h THR 420 Ca 0.00 0.00 -0.75 0.00 0.77 0.00 0.00 66.41 66.43 3pgh h THR 420 Cb 0.00 0.09 -0.19 0.00 -1.74 0.00 0.00 68.15 66.31 3pgh h THR 420 CO 0.00 0.00 1.23 1.67 0.37 0.00 0.00 175.52 178.79 3pgh n GLN 421 N -5.46 3.40 0.00 6.66 -0.06 -1.09 -1.31 117.38 119.52 3pgh n GLN 421 Ca -0.06 -3.94 0.00 0.00 -2.00 0.00 0.00 57.00 51.00 3pgh n GLN 421 Cb 0.38 -2.97 0.00 0.00 -4.06 0.00 0.00 30.24 23.60 3pgh n GLN 421 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3pgh n PHE 422 N 5.18 -0.31 0.02 3.69 7.35 -0.81 -4.17 117.46 128.40 3pgh n PHE 422 Ca 0.35 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.89 3pgh n PHE 422 Cb 0.42 0.06 -0.05 0.00 0.35 0.00 0.00 39.48 40.27 3pgh n PHE 422 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3pgh h VAL 423 N 0.00 1.32 0.37 -2.13 2.07 0.31 0.14 116.25 118.33 3pgh h VAL 423 Ca 0.00 -2.11 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 3pgh h VAL 423 Cb 0.00 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3pgh h VAL 423 CO 0.00 0.65 -0.18 -0.33 0.02 0.00 0.00 177.57 177.73 3pgh h GLU 424 N 0.42 -0.48 0.06 1.57 5.08 -1.41 0.11 114.58 119.93 3pgh h GLU 424 Ca -0.06 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3pgh h GLU 424 Cb 1.45 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 3pgh h GLU 424 CO 0.16 -0.20 -0.11 0.77 -1.00 0.00 0.00 179.01 178.63 3pgh h SER 425 N -0.72 -0.31 -0.29 1.42 0.02 -1.81 -2.39 113.55 109.46 3pgh h SER 425 Ca -0.05 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3pgh h SER 425 Cb 0.50 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3pgh h SER 425 CO 0.08 -0.13 0.31 -0.26 -1.14 0.00 0.00 176.83 175.69 3pgh h PHE 426 N -0.18 0.00 -0.45 3.45 0.04 -1.03 0.11 116.94 118.89 3pgh h PHE 426 Ca -0.01 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 3pgh h PHE 426 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3pgh h PHE 426 CO -0.22 0.00 -0.22 1.15 -0.60 0.00 0.00 178.31 178.42 3pgh h THR 427 N 0.00 1.27 -2.53 -1.55 2.02 -0.31 -2.19 112.91 109.62 3pgh h THR 427 Ca 0.14 -1.36 -0.80 0.00 0.77 0.00 0.00 66.41 65.15 3pgh h THR 427 Cb 0.75 1.15 -0.25 0.00 -1.74 0.00 0.00 68.15 68.06 3pgh h THR 427 CO -0.00 0.47 1.07 0.54 0.37 0.00 0.00 175.52 177.96 3pgh n ARG 428 N -4.11 4.50 -3.10 6.66 1.74 0.40 -4.35 116.66 118.40 3pgh n ARG 428 Ca 0.00 -4.38 0.04 0.00 -0.77 0.00 0.00 57.85 52.75 3pgh n ARG 428 Cb 0.45 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 3pgh n ARG 428 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3pgh s GLN 429 N -2.48 0.29 0.81 5.56 0.74 -1.24 -4.88 119.66 118.45 3pgh s GLN 429 Ca 0.34 0.18 -0.14 0.00 0.05 0.00 0.00 55.36 55.79 3pgh s GLN 429 Cb 0.08 0.10 0.05 0.00 1.10 0.00 0.00 33.01 34.34 3pgh s GLN 429 CO 0.05 -0.50 0.96 0.44 -0.55 0.00 0.00 175.29 175.69 3pgh n ILE 430 N 4.94 1.77 -4.09 -2.34 -5.35 -1.26 -1.64 119.36 111.40 3pgh n ILE 430 Ca 0.08 -0.25 -0.23 0.00 -0.27 0.00 0.00 62.75 62.08 3pgh n ILE 430 Cb 0.58 -1.03 -0.06 0.00 -1.74 0.00 0.00 39.64 37.38 3pgh n ILE 430 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3pgh s ALA 431 N -2.10 3.53 0.95 -1.28 0.00 0.18 -4.74 121.76 118.30 3pgh s ALA 431 Ca 0.70 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 3pgh s ALA 431 Cb -0.30 -0.66 0.16 0.00 0.00 0.00 0.00 23.12 22.32 3pgh s ALA 431 CO 0.54 -0.01 1.09 0.20 0.00 0.00 0.00 175.76 177.58 3pgh s GLY 432 N -3.86 1.59 0.16 0.00 0.00 -0.60 -0.68 107.32 103.93 3pgh s GLY 432 Ca 0.39 -0.20 -0.17 0.00 0.00 0.00 0.00 44.72 44.73 3pgh s GLY 432 CO 0.23 0.35 0.62 -1.60 0.00 0.00 0.00 173.10 172.70 3pgh s ARG 433 N -4.94 4.13 -0.12 2.90 3.52 -0.56 -4.13 118.95 119.75 3pgh s ARG 433 Ca 0.64 0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 56.87 3pgh s ARG 433 Cb -0.18 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 3pgh s ARG 433 CO 0.57 0.48 -0.09 0.28 -0.81 0.00 0.00 175.30 175.73 3pgh h VAL 434 N 2.91 0.01 -4.07 7.11 2.07 -1.67 -3.43 116.25 119.19 3pgh h VAL 434 Ca -0.48 -1.01 -0.45 0.00 0.82 0.00 0.00 66.70 65.57 3pgh h VAL 434 Cb 1.20 0.03 0.15 0.00 -1.52 0.00 0.00 31.29 31.15 3pgh h VAL 434 CO 0.65 0.00 0.32 0.00 0.02 0.00 0.00 177.57 178.57 3pgh s ALA 435 N -2.65 1.80 0.00 1.67 0.00 0.29 -4.33 121.76 118.55 3pgh s ALA 435 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3pgh s ALA 435 Cb 0.01 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.23 3pgh s ALA 435 CO 0.13 -2.53 0.00 0.41 0.00 0.00 0.00 175.76 173.77 3pgh n GLY 436 N -2.63 2.99 0.00 0.00 0.00 0.30 -4.86 105.19 100.99 3pgh n GLY 436 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3pgh n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pgh n GLY 437 N 0.00 2.17 3.69 -0.02 0.00 0.13 -4.50 105.19 106.66 3pgh n GLY 437 Ca 0.00 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 3pgh n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pgh n ARG 438 N 1.50 -2.26 -0.06 1.61 1.74 0.38 -4.84 116.66 114.74 3pgh n ARG 438 Ca 0.00 0.23 0.08 0.00 -0.77 0.00 0.00 57.85 57.39 3pgh n ARG 438 Cb 0.00 -4.84 0.11 0.00 -1.02 0.00 0.00 32.46 26.71 3pgh n ARG 438 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3pgh n ASN 439 N -2.20 2.27 -4.62 0.55 5.15 -0.99 -3.13 115.26 112.28 3pgh n ASN 439 Ca 0.05 -2.86 -0.42 0.00 -0.60 0.00 0.00 54.58 50.74 3pgh n ASN 439 Cb 0.49 -0.34 -0.04 0.00 -0.53 0.00 0.00 39.78 39.36 3pgh n ASN 439 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3pgh s VAL 440 N -2.49 4.75 0.06 3.44 1.01 -0.77 -4.37 120.40 122.04 3pgh s VAL 440 Ca 0.25 1.33 -0.36 0.00 0.00 0.00 0.00 61.98 63.21 3pgh s VAL 440 Cb 0.22 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 32.26 3pgh s VAL 440 CO 0.02 -0.26 1.48 -2.65 0.00 0.00 0.00 175.10 173.70 3pgh n PRO 441 N 6.28 1.49 0.11 2.72 -0.02 -1.26 -1.66 135.00 142.66 3pgh n PRO 441 Ca 0.05 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3pgh n PRO 441 Cb 0.48 -2.23 0.42 0.00 -0.02 0.00 0.00 33.50 32.14 3pgh n PRO 441 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3pgh n ILE 442 N 3.15 1.21 0.04 4.25 5.41 -1.26 -0.91 119.36 131.25 3pgh n ILE 442 Ca 0.19 0.55 -0.08 0.00 1.00 0.00 0.00 62.75 64.42 3pgh n ILE 442 Cb 0.22 -1.52 0.08 0.00 -0.71 0.00 0.00 39.64 37.71 3pgh n ILE 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3pgh h ALA 443 N 2.09 0.76 -0.49 -1.39 0.00 -2.00 -3.15 119.26 115.07 3pgh h ALA 443 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 3pgh h ALA 443 Cb 0.09 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 3pgh h ALA 443 CO 0.00 0.71 0.11 1.33 0.00 0.00 0.00 179.25 181.40 3pgh n VAL 444 N -3.92 2.66 0.24 0.00 0.24 -0.09 -4.56 118.33 112.90 3pgh n VAL 444 Ca -0.03 -2.22 0.09 0.00 -2.04 0.00 0.00 64.34 60.14 3pgh n VAL 444 Cb 0.61 -0.33 0.60 0.00 -1.47 0.00 0.00 33.84 33.25 3pgh n VAL 444 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 3pgh h GLN 445 N 1.49 0.00 -0.71 7.34 3.07 -1.47 -0.89 115.11 123.94 3pgh h GLN 445 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.92 3pgh h GLN 445 Cb 1.91 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.44 3pgh h GLN 445 CO 0.52 0.16 0.20 0.00 0.09 0.00 0.00 178.83 179.79 3pgh h ALA 446 N 1.84 1.01 -0.40 0.06 0.00 -1.84 -1.52 119.26 118.42 3pgh h ALA 446 Ca -0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3pgh h ALA 446 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3pgh h ALA 446 CO 0.02 0.65 -0.30 0.28 0.00 0.00 0.00 179.25 179.90 3pgh h VAL 447 N 1.06 1.28 -0.71 0.00 2.07 -1.55 -2.02 116.25 116.38 3pgh h VAL 447 Ca 0.23 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 3pgh h VAL 447 Cb 0.33 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3pgh h VAL 447 CO -0.00 0.49 0.28 0.00 0.02 0.00 0.00 177.57 178.36 3pgh h ALA 448 N 0.79 0.92 -0.47 1.67 0.00 -1.02 -0.86 119.26 120.29 3pgh h ALA 448 Ca 0.07 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3pgh h ALA 448 Cb 0.89 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3pgh h ALA 448 CO 0.08 0.54 -0.24 -0.22 0.00 0.00 0.00 179.25 179.41 3pgh h LYS 449 N 1.01 0.99 -0.36 0.00 3.64 -1.27 -2.60 116.57 117.98 3pgh h LYS 449 Ca 0.24 -0.43 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 3pgh h LYS 449 Cb 0.21 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 3pgh h LYS 449 CO -0.02 1.11 0.13 0.00 -2.27 0.00 0.00 179.45 178.40 3pgh h ALA 450 N 0.87 0.42 -0.90 5.00 0.00 -1.09 0.55 119.26 124.11 3pgh h ALA 450 Ca 0.10 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.17 3pgh h ALA 450 Cb 0.82 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 3pgh h ALA 450 CO 0.07 -0.26 0.58 0.77 0.00 0.00 0.00 179.25 180.41 3pgh h SER 451 N 0.28 0.77 -0.03 0.00 0.02 -0.85 0.16 113.55 113.90 3pgh h SER 451 Ca 0.17 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3pgh h SER 451 Cb 0.14 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3pgh h SER 451 CO -0.17 0.43 -0.04 0.40 -1.14 0.00 0.00 176.83 176.32 3pgh h ILE 452 N 0.84 1.40 -0.83 3.27 2.04 -0.56 -2.68 117.51 120.98 3pgh h ILE 452 Ca 0.43 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3pgh h ILE 452 Cb 0.50 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 3pgh h ILE 452 CO -0.19 0.33 0.50 0.44 0.00 0.00 0.00 178.15 179.23 3pgh h ASP 453 N -0.40 1.00 -0.23 1.72 3.32 0.11 -2.84 116.42 119.10 3pgh h ASP 453 Ca 0.00 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3pgh h ASP 453 Cb 0.56 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3pgh h ASP 453 CO 0.01 0.77 -0.17 1.56 -1.72 0.00 0.00 179.24 179.69 3pgh h GLN 454 N 1.15 0.52 -0.96 3.56 4.20 -0.79 -0.86 115.11 121.93 3pgh h GLN 454 Ca 0.30 -0.25 0.16 0.00 0.06 0.00 0.00 58.65 58.92 3pgh h GLN 454 Cb -0.05 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.65 3pgh h GLN 454 CO -0.06 0.82 0.61 0.77 -0.67 0.00 0.00 178.83 180.30 3pgh h SER 455 N 0.22 0.74 -0.11 1.46 0.02 -1.40 0.32 113.55 114.79 3pgh h SER 455 Ca 0.04 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3pgh h SER 455 Cb 0.70 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3pgh h SER 455 CO 0.05 0.34 -0.04 0.03 -1.14 0.00 0.00 176.83 176.07 3pgh h ARG 456 N 0.76 0.22 0.00 3.45 3.08 -1.23 -1.43 114.38 119.23 3pgh h ARG 456 Ca 0.50 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.37 3pgh h ARG 456 Cb 0.77 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3pgh h ARG 456 CO -0.27 0.54 -0.44 1.05 -1.07 0.00 0.00 179.97 179.79 3pgh h GLU 457 N -0.11 0.00 -0.48 0.04 4.11 0.14 -0.46 114.58 117.82 3pgh h GLU 457 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3pgh h GLU 457 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3pgh h GLU 457 CO 0.01 0.44 0.00 -1.33 0.07 0.00 0.00 179.01 178.20 3pgh n MET 458 N -4.02 1.03 -4.02 1.06 2.81 0.99 -4.87 117.12 110.10 3pgh n MET 458 Ca -0.02 -0.04 -0.28 0.00 -1.81 0.00 0.00 57.70 55.55 3pgh n MET 458 Cb 0.46 -1.25 -0.03 0.00 -0.71 0.00 0.00 33.22 31.69 3pgh n MET 458 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3pgh n LYS 459 N -0.24 -2.38 -0.37 0.03 5.02 -0.18 -4.72 118.16 115.31 3pgh n LYS 459 Ca 0.00 0.32 -0.18 0.00 -2.02 0.00 0.00 58.31 56.43 3pgh n LYS 459 Cb 0.13 -4.15 0.16 0.00 -0.02 0.00 0.00 35.03 31.15 3pgh n LYS 459 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pgh n TYR 460 N -4.47 -3.31 -4.56 2.13 4.02 -0.55 -1.33 117.16 109.10 3pgh n TYR 460 Ca -0.29 -0.54 -0.26 0.00 -0.01 0.00 0.00 57.90 56.80 3pgh n TYR 460 Cb 0.67 -0.72 -0.11 0.00 -0.02 0.00 0.00 39.34 39.17 3pgh n TYR 460 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3pgh s GLN 461 N -4.36 1.85 0.89 -0.72 -0.21 -1.26 -4.59 119.66 111.25 3pgh s GLN 461 Ca 0.41 -1.97 -0.10 0.00 0.02 0.00 0.00 55.36 53.72 3pgh s GLN 461 Cb -0.06 -1.68 0.13 0.00 1.00 0.00 0.00 33.01 32.40 3pgh s GLN 461 CO 0.33 0.10 1.14 -1.54 -2.12 0.00 0.00 175.29 173.20 3pgh s SER 462 N -3.63 3.13 0.29 5.90 1.04 -1.26 -4.36 113.70 114.80 3pgh s SER 462 Ca 0.33 2.16 0.03 0.00 0.48 0.00 0.00 55.95 58.96 3pgh s SER 462 Cb 0.04 -2.56 0.65 0.00 0.10 0.00 0.00 66.02 64.25 3pgh s SER 462 CO 0.17 -2.97 1.78 0.25 0.98 0.00 0.00 173.24 173.45 3pgh h LEU 463 N -1.73 0.74 -0.75 2.42 5.85 -1.09 -1.35 115.31 119.40 3pgh h LEU 463 Ca -0.43 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 3pgh h LEU 463 Cb 1.27 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3pgh h LEU 463 CO 0.43 0.30 -0.06 0.78 -0.34 0.00 0.00 178.44 179.55 3pgh h ASN 464 N 0.77 0.88 -0.43 1.25 -0.26 -1.88 0.15 115.58 116.05 3pgh h ASN 464 Ca 0.54 -0.25 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 3pgh h ASN 464 Cb 0.76 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 3pgh h ASN 464 CO -0.36 0.97 0.20 -0.33 -1.06 0.00 0.00 177.43 176.85 3pgh h GLU 465 N 0.81 0.62 -0.62 0.81 4.39 -1.61 -0.06 114.58 118.93 3pgh h GLU 465 Ca 0.14 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3pgh h GLU 465 Cb 0.57 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 3pgh h GLU 465 CO 0.03 0.54 0.24 1.88 -1.16 0.00 0.00 179.01 180.55 3pgh h TYR 466 N 0.55 0.94 -0.53 4.33 0.05 -1.00 -0.48 116.97 120.83 3pgh h TYR 466 Ca 0.15 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.87 3pgh h TYR 466 Cb 0.13 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 3pgh h TYR 466 CO -0.01 0.75 0.33 0.00 -1.05 0.00 0.00 178.16 178.18 3pgh h ARG 467 N 0.86 0.65 0.14 4.88 3.08 -0.36 -1.45 114.38 122.17 3pgh h ARG 467 Ca 0.20 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3pgh h ARG 467 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3pgh h ARG 467 CO -0.02 0.43 -0.07 0.87 -1.07 0.00 0.00 179.97 180.12 3pgh h LYS 468 N 0.67 -0.18 -0.61 0.04 1.57 -0.74 0.30 116.57 117.63 3pgh h LYS 468 Ca 0.21 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.17 3pgh h LYS 468 Cb -0.02 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3pgh h LYS 468 CO -0.07 0.01 0.60 -0.09 -0.57 0.00 0.00 179.45 179.34 3pgh h ARG 469 N -0.35 0.00 -0.71 3.15 9.65 -0.67 0.56 114.38 126.01 3pgh h ARG 469 Ca -0.02 0.00 -0.40 0.00 -1.10 0.00 0.00 59.98 58.46 3pgh h ARG 469 Cb 0.28 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 28.63 3pgh h ARG 469 CO 0.03 0.00 0.26 1.19 2.80 0.00 0.00 179.97 184.25 3pgh n PHE 470 N -3.74 2.23 -3.20 2.20 3.01 -0.58 -4.92 117.46 112.45 3pgh n PHE 470 Ca 0.12 -1.94 -0.23 0.00 1.01 0.00 0.00 57.45 56.41 3pgh n PHE 470 Cb 0.83 -0.78 0.03 0.00 -0.01 0.00 0.00 39.48 39.55 3pgh n PHE 470 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3pgh n SER 471 N -1.08 -5.50 -4.81 4.37 7.64 0.20 -4.94 113.62 109.49 3pgh n SER 471 Ca 0.48 -0.36 -0.22 0.00 1.01 0.00 0.00 58.87 59.78 3pgh n SER 471 Cb 1.22 -4.45 -0.04 0.00 -1.01 0.00 0.00 64.21 59.92 3pgh n SER 471 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3pgh s LEU 472 N -6.73 3.58 -0.25 -3.43 1.43 0.10 -4.98 118.68 108.39 3pgh s LEU 472 Ca 0.37 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 3pgh s LEU 472 Cb -0.18 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3pgh s LEU 472 CO 0.46 -0.24 0.49 -0.75 0.23 0.00 0.00 176.35 176.55 3pgh s LYS 473 N -3.91 4.09 0.40 1.70 2.20 -1.26 -4.01 119.74 118.95 3pgh s LYS 473 Ca 0.38 0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 56.02 3pgh s LYS 473 Cb -0.06 -3.63 -0.10 0.00 -1.51 0.00 0.00 37.83 32.53 3pgh s LYS 473 CO 0.25 -0.30 1.43 -0.35 -0.36 0.00 0.00 175.35 176.02 3pgh n PRO 474 N 5.35 2.40 -2.12 4.03 -0.04 -1.26 -4.93 135.00 138.43 3pgh n PRO 474 Ca -0.05 0.85 -0.42 0.00 -0.04 0.00 0.00 63.50 63.84 3pgh n PRO 474 Cb 0.50 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 3pgh n PRO 474 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3pgh s TYR 475 N -1.15 3.06 -0.71 0.54 2.02 -1.26 -4.92 117.35 114.93 3pgh s TYR 475 Ca 0.57 0.82 0.25 0.00 -0.37 0.00 0.00 57.07 58.34 3pgh s TYR 475 Cb -0.48 -3.74 0.64 0.00 -0.40 0.00 0.00 41.96 37.98 3pgh s TYR 475 CO 0.61 -2.70 1.61 0.25 -1.57 0.00 0.00 175.55 173.75 3pgh n THR 476 N 4.16 0.48 -3.48 -0.71 -2.24 -1.26 -4.79 114.28 106.43 3pgh n THR 476 Ca 0.13 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 3pgh n THR 476 Cb 0.42 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 3pgh n THR 476 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3pgh s SER 477 N -4.34 -0.61 0.55 3.42 1.04 -1.26 -4.93 113.70 107.57 3pgh s SER 477 Ca 0.09 0.42 0.22 0.00 0.48 0.00 0.00 55.95 57.16 3pgh s SER 477 Cb 0.13 0.55 1.48 0.00 0.10 0.00 0.00 66.02 68.28 3pgh s SER 477 CO 0.64 -0.74 2.16 -0.26 0.98 0.00 0.00 173.24 176.02 3pgh h PHE 478 N 2.58 0.00 -0.07 5.02 0.04 -1.91 0.15 116.94 122.75 3pgh h PHE 478 Ca -0.29 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.29 3pgh h PHE 478 Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 3pgh h PHE 478 CO 0.32 0.00 -0.75 0.93 -0.60 0.00 0.00 178.31 178.21 3pgh h GLU 479 N 0.00 0.39 -0.59 1.51 3.07 -1.85 -1.43 114.58 115.68 3pgh h GLU 479 Ca 0.03 -0.33 -0.10 0.00 -0.50 0.00 0.00 59.36 58.47 3pgh h GLU 479 Cb 0.15 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 3pgh h GLU 479 CO -0.00 0.97 -0.01 1.49 -1.40 0.00 0.00 179.01 180.06 3pgh h GLU 480 N 0.26 1.03 0.68 2.33 4.81 -1.08 0.41 114.58 123.03 3pgh h GLU 480 Ca -0.03 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 3pgh h GLU 480 Cb 1.32 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 3pgh h GLU 480 CO 0.13 1.02 -0.38 1.25 -0.73 0.00 0.00 179.01 180.30 3pgh h LEU 481 N 0.94 -0.93 -0.02 1.64 5.85 -1.11 -3.31 115.31 118.38 3pgh h LEU 481 Ca 0.17 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 3pgh h LEU 481 Cb 0.56 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3pgh h LEU 481 CO 0.03 -0.61 -0.85 0.71 -0.34 0.00 0.00 178.44 177.38 3pgh h THR 482 N -0.98 1.48 -0.56 1.05 1.35 -1.21 -2.52 112.91 111.51 3pgh h THR 482 Ca -0.09 -3.07 -0.16 0.00 -0.55 0.00 0.00 66.41 62.54 3pgh h THR 482 Cb 0.78 2.72 -0.05 0.00 -1.73 0.00 0.00 68.15 69.86 3pgh h THR 482 CO 0.11 0.84 -0.16 0.61 -0.25 0.00 0.00 175.52 176.67 3pgh n GLY 483 N 1.29 0.78 1.49 5.82 0.00 0.14 -3.13 105.19 111.58 3pgh n GLY 483 Ca 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 3pgh n GLY 483 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3pgh n GLU 484 N -2.54 0.45 -0.01 1.61 -0.00 -1.25 -5.03 120.64 113.89 3pgh n GLU 484 Ca -0.08 -0.88 -0.01 0.00 -0.00 0.00 0.00 57.16 56.18 3pgh n GLU 484 Cb 0.34 1.10 -0.01 0.00 -0.00 0.00 0.00 31.44 32.87 3pgh n GLU 484 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3pgh n LYS 485 N -0.21 3.58 0.03 3.44 4.76 -1.26 -4.45 118.16 124.04 3pgh n LYS 485 Ca -0.03 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.28 3pgh n LYS 485 Cb 0.24 -1.04 -0.09 0.00 -1.84 0.00 0.00 35.03 32.30 3pgh n LYS 485 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3pgh h GLU 486 N 0.00 -0.06 -0.23 1.97 4.81 -2.00 0.36 114.58 119.42 3pgh h GLU 486 Ca -0.04 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3pgh h GLU 486 Cb 1.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3pgh h GLU 486 CO 0.00 0.24 -0.02 0.52 -0.73 0.00 0.00 179.01 179.02 3pgh h MET 487 N -0.36 0.42 -0.61 1.92 2.86 -1.93 -0.55 114.93 116.68 3pgh h MET 487 Ca -0.01 -0.15 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 3pgh h MET 487 Cb 0.32 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.85 3pgh h MET 487 CO 0.01 0.63 0.04 0.00 1.06 0.00 0.00 176.91 178.65 3pgh h ALA 488 N 0.78 0.65 -0.15 6.32 0.00 -1.77 0.47 119.26 125.55 3pgh h ALA 488 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3pgh h ALA 488 Cb 0.45 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3pgh h ALA 488 CO 0.02 -0.37 0.10 0.00 0.00 0.00 0.00 179.25 178.99 3pgh h ALA 489 N 1.54 0.19 -0.26 0.00 0.00 -0.65 0.34 119.26 120.42 3pgh h ALA 489 Ca 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3pgh h ALA 489 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3pgh h ALA 489 CO -0.49 -0.32 0.04 0.93 0.00 0.00 0.00 179.25 179.41 3pgh h GLU 490 N 0.20 0.38 0.08 0.00 5.08 0.58 -1.73 114.58 119.18 3pgh h GLU 490 Ca 0.06 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3pgh h GLU 490 Cb -0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3pgh h GLU 490 CO -0.01 0.38 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.27 3pgh h LEU 491 N 0.38 -0.09 -1.25 1.33 3.38 0.58 -2.44 115.31 117.20 3pgh h LEU 491 Ca 0.09 -0.41 0.12 0.00 0.09 0.00 0.00 57.88 57.77 3pgh h LEU 491 Cb 0.19 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3pgh h LEU 491 CO 0.00 0.38 0.57 0.50 0.09 0.00 0.00 178.44 179.98 3pgh h LYS 492 N -0.59 0.76 0.22 1.13 3.64 -0.74 0.53 116.57 121.52 3pgh h LYS 492 Ca -0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3pgh h LYS 492 Cb 0.49 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3pgh h LYS 492 CO 0.02 0.50 -0.10 0.00 -2.27 0.00 0.00 179.45 177.60 3pgh h ALA 493 N 1.58 -0.29 0.38 5.00 0.00 -1.29 -0.84 119.26 123.79 3pgh h ALA 493 Ca 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3pgh h ALA 493 Cb 0.56 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3pgh h ALA 493 CO -0.19 -0.64 -0.18 -0.07 0.00 0.00 0.00 179.25 178.17 3pgh h LEU 494 N -0.34 -0.43 0.00 0.00 3.38 -0.37 -3.35 115.31 114.20 3pgh h LEU 494 Ca -0.03 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3pgh h LEU 494 Cb 0.26 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3pgh h LEU 494 CO 0.05 -0.14 -1.33 -1.22 0.09 0.00 0.00 178.44 175.89 3pgh n TYR 495 N -5.22 0.79 0.00 1.13 4.02 0.16 -4.40 117.16 113.64 3pgh n TYR 495 Ca -0.10 0.24 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 3pgh n TYR 495 Cb 0.27 -0.93 0.00 0.00 -0.02 0.00 0.00 39.34 38.66 3pgh n TYR 495 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3pgh n SER 496 N -2.68 0.00 -4.31 7.72 3.41 -0.32 -4.82 113.62 112.63 3pgh n SER 496 Ca -0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.23 3pgh n SER 496 Cb 0.66 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 3pgh n SER 496 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3pgh s ASP 497 N 0.00 3.81 0.37 4.04 -1.08 -1.26 -4.98 116.67 117.57 3pgh s ASP 497 Ca 0.00 -0.41 0.06 0.00 -0.52 0.00 0.00 52.55 51.68 3pgh s ASP 497 Cb 0.00 -1.59 0.77 0.00 -1.46 0.00 0.00 42.92 40.64 3pgh s ASP 497 CO 0.00 0.11 1.97 -0.29 0.52 0.00 0.00 175.17 177.48 3pgh h ILE 498 N 5.57 1.03 0.00 4.11 6.09 -1.91 -1.01 117.51 131.39 3pgh h ILE 498 Ca -0.30 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 3pgh h ILE 498 Cb 1.20 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.74 3pgh h ILE 498 CO 0.56 0.13 0.00 0.47 -3.07 0.00 0.00 178.15 176.24 3pgh n ASP 499 N -4.47 0.61 0.00 2.19 8.00 -1.26 -0.78 116.55 120.84 3pgh n ASP 499 Ca 0.09 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3pgh n ASP 499 Cb 0.21 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3pgh n ASP 499 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3pgh n VAL 500 N 0.44 0.00 -1.83 2.53 0.31 -0.38 -4.80 118.33 114.60 3pgh n VAL 500 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3pgh n VAL 500 Cb 0.13 1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 34.65 3pgh n VAL 500 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3pgh s MET 501 N 0.00 4.16 0.48 5.55 0.00 0.04 -4.86 119.30 124.67 3pgh s MET 501 Ca 0.00 2.50 -0.19 0.00 0.00 0.00 0.00 55.69 58.00 3pgh s MET 501 Cb 0.00 -3.07 -0.09 0.00 0.00 0.00 0.00 34.83 31.67 3pgh s MET 501 CO 0.00 -0.62 0.99 -1.21 0.00 0.00 0.00 175.02 174.18 3pgh s GLU 502 N 0.23 3.96 0.04 4.11 2.02 -1.26 -0.63 118.70 127.17 3pgh s GLU 502 Ca 0.67 1.16 -0.27 0.00 0.02 0.00 0.00 54.97 56.55 3pgh s GLU 502 Cb -0.47 -2.13 -0.17 0.00 0.10 0.00 0.00 34.13 31.46 3pgh s GLU 502 CO 0.40 -0.27 1.47 1.25 0.02 0.00 0.00 175.26 178.13 3pgh h LEU 503 N 1.46 -0.37 0.37 1.80 5.85 -1.85 -2.95 115.31 119.62 3pgh h LEU 503 Ca -0.48 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 3pgh h LEU 503 Cb 1.20 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3pgh h LEU 503 CO 0.60 -0.13 -0.36 0.22 -0.34 0.00 0.00 178.44 178.43 3pgh h TYR 504 N -0.61 -1.01 -0.51 1.25 3.20 -1.93 -2.60 116.97 114.77 3pgh h TYR 504 Ca -0.04 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.93 3pgh h TYR 504 Cb 0.44 0.39 -0.10 0.00 1.54 0.00 0.00 36.73 39.00 3pgh h TYR 504 CO -0.01 -0.49 -0.30 -1.35 -1.64 0.00 0.00 178.16 174.37 3pgh h PRO 505 N -0.73 -0.17 -0.15 1.82 0.11 -1.97 -0.59 132.00 130.31 3pgh h PRO 505 Ca -0.05 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.12 3pgh h PRO 505 Cb 0.63 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3pgh h PRO 505 CO -0.04 -0.11 0.16 0.00 -0.21 0.00 0.00 178.00 177.79 3pgh h ALA 506 N 0.99 1.82 -0.36 -0.75 0.00 -1.55 0.35 119.26 119.77 3pgh h ALA 506 Ca 0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3pgh h ALA 506 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3pgh h ALA 506 CO -0.61 -0.24 -0.19 -0.07 0.00 0.00 0.00 179.25 178.14 3pgh h LEU 507 N 0.00 0.78 0.00 0.00 3.38 -0.69 -3.21 115.31 115.58 3pgh h LEU 507 Ca 0.07 -0.41 -0.22 0.00 0.09 0.00 0.00 57.88 57.41 3pgh h LEU 507 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3pgh h LEU 507 CO -0.00 1.03 -1.09 -0.07 0.09 0.00 0.00 178.44 178.39 3pgh h LEU 508 N 0.54 0.01 -6.63 1.67 3.38 -1.07 -3.37 115.31 109.85 3pgh h LEU 508 Ca 0.08 -0.02 -0.78 0.00 0.09 0.00 0.00 57.88 57.26 3pgh h LEU 508 Cb 0.74 -0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.18 3pgh h LEU 508 CO 0.06 1.01 0.62 0.52 0.09 0.00 0.00 178.44 180.74 3pgh n VAL 509 N -3.32 5.07 -3.84 1.22 0.31 -0.01 0.22 118.33 117.98 3pgh n VAL 509 Ca -0.02 -5.86 -0.12 0.00 -0.01 0.00 0.00 64.34 58.33 3pgh n VAL 509 Cb 0.96 -1.95 -0.12 0.00 -0.91 0.00 0.00 33.84 31.82 3pgh n VAL 509 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3pgh s GLU 510 N -3.11 0.22 -0.23 5.55 2.12 -1.21 -4.43 118.70 117.60 3pgh s GLU 510 Ca 0.34 0.06 -0.31 0.00 0.36 0.00 0.00 54.97 55.42 3pgh s GLU 510 Cb 0.10 0.10 -0.08 0.00 0.26 0.00 0.00 34.13 34.50 3pgh s GLU 510 CO 0.04 -0.04 2.16 1.17 -0.54 0.00 0.00 175.26 178.05 3pgh n LYS 511 N 2.70 1.74 -1.29 4.30 4.81 -0.95 -0.54 118.16 128.93 3pgh n LYS 511 Ca -0.14 0.51 -0.31 0.00 -0.87 0.00 0.00 58.31 57.49 3pgh n LYS 511 Cb 0.58 -2.89 0.09 0.00 0.02 0.00 0.00 35.03 32.84 3pgh n LYS 511 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3pgh s PRO 512 N 5.91 2.22 0.69 1.64 0.02 -1.26 -4.34 135.00 139.88 3pgh s PRO 512 Ca 1.02 1.26 -0.13 0.00 0.02 0.00 0.00 61.00 63.17 3pgh s PRO 512 Cb -0.56 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.08 3pgh s PRO 512 CO 0.42 -1.68 1.08 1.03 -0.33 0.00 0.00 177.00 177.53 3pgh s ARG 513 N -4.72 2.76 0.00 5.54 3.00 -1.08 -4.90 118.95 119.55 3pgh s ARG 513 Ca 0.63 1.20 0.00 0.00 0.00 0.00 0.00 55.73 57.56 3pgh s ARG 513 Cb -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 34.95 32.81 3pgh s ARG 513 CO 0.54 -1.26 0.00 -2.30 0.00 0.00 0.00 175.30 172.28 3pgh n PRO 514 N -2.82 0.00 -2.15 3.54 -0.02 -1.26 -0.96 135.00 131.32 3pgh n PRO 514 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 3pgh n PRO 514 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.03 3pgh n PRO 514 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3pgh n ASP 515 N 0.00 6.55 -4.92 2.55 8.00 -1.26 -4.99 116.55 122.48 3pgh n ASP 515 Ca 0.00 -3.79 -0.20 0.00 0.71 0.00 0.00 54.79 51.51 3pgh n ASP 515 Cb 0.00 -0.87 -0.02 0.00 -0.02 0.00 0.00 41.12 40.22 3pgh n ASP 515 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3pgh s ALA 516 N -3.90 4.23 -0.06 2.24 0.00 -0.14 -2.46 121.76 121.67 3pgh s ALA 516 Ca 0.50 -1.82 0.08 0.00 0.00 0.00 0.00 51.96 50.73 3pgh s ALA 516 Cb 0.41 -1.19 -0.24 0.00 0.00 0.00 0.00 23.12 22.11 3pgh s ALA 516 CO -0.33 -0.27 0.60 1.51 0.00 0.00 0.00 175.76 177.27 3pgh n ILE 517 N -1.66 1.65 -4.50 0.00 3.06 -1.26 -4.64 119.36 112.01 3pgh n ILE 517 Ca 0.05 -0.77 -0.24 0.00 -2.50 0.00 0.00 62.75 59.29 3pgh n ILE 517 Cb 0.61 -1.19 -0.09 0.00 0.54 0.00 0.00 39.64 39.50 3pgh n ILE 517 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 3pgh s PHE 518 N -2.59 1.87 0.11 9.51 0.08 -1.26 -0.54 117.98 125.16 3pgh s PHE 518 Ca -0.08 -1.11 0.01 0.00 0.12 0.00 0.00 56.93 55.87 3pgh s PHE 518 Cb 0.08 -1.24 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 3pgh s PHE 518 CO 0.81 -0.12 0.12 0.41 -0.10 0.00 0.00 175.22 176.34 3pgh n GLY 519 N -0.83 2.48 0.43 4.36 0.00 -1.26 -2.62 105.19 107.75 3pgh n GLY 519 Ca -0.05 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.65 3pgh n GLY 519 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3pgh h GLU 520 N 0.00 -0.66 -0.77 1.61 4.81 -1.96 -2.57 114.58 115.05 3pgh h GLU 520 Ca -0.06 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.39 3pgh h GLU 520 Cb 0.24 0.15 -0.13 0.00 0.63 0.00 0.00 28.75 29.64 3pgh h GLU 520 CO 0.09 -0.44 0.03 1.15 -0.73 0.00 0.00 179.01 179.11 3pgh h THR 521 N -0.68 0.34 -0.64 0.32 2.02 -1.96 0.30 112.91 112.60 3pgh h THR 521 Ca -0.01 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 3pgh h THR 521 Cb 0.68 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3pgh h THR 521 CO -0.25 0.02 0.17 -0.03 0.37 0.00 0.00 175.52 175.79 3pgh h MET 522 N 0.12 1.01 -0.07 6.66 1.85 -1.88 -1.17 114.93 121.45 3pgh h MET 522 Ca 0.43 -0.24 -0.22 0.00 -0.61 0.00 0.00 59.70 59.06 3pgh h MET 522 Cb 0.77 -0.14 0.01 0.00 0.43 0.00 0.00 31.60 32.67 3pgh h MET 522 CO -0.66 0.91 -0.86 0.28 -0.40 0.00 0.00 176.91 176.18 3pgh h VAL 523 N 0.93 1.33 0.00 -5.77 2.07 -0.82 -2.73 116.25 111.26 3pgh h VAL 523 Ca 0.20 -2.18 -0.14 0.00 0.82 0.00 0.00 66.70 65.41 3pgh h VAL 523 Cb 0.34 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3pgh h VAL 523 CO 0.00 0.67 -0.66 -0.33 0.02 0.00 0.00 177.57 177.27 3pgh h GLU 524 N 0.38 0.00 0.00 1.57 4.39 -0.27 -1.65 114.58 118.99 3pgh h GLU 524 Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3pgh h GLU 524 Cb 1.48 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.13 3pgh h GLU 524 CO 0.16 0.66 -0.34 -0.07 -1.16 0.00 0.00 179.01 178.26 3pgh h LEU 525 N 0.00 0.00 -1.97 1.33 3.38 -1.32 -3.39 115.31 113.33 3pgh h LEU 525 Ca -0.01 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3pgh h LEU 525 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3pgh h LEU 525 CO 0.09 0.69 0.19 1.23 0.09 0.00 0.00 178.44 180.73 3pgh h GLY 526 N -1.00 0.04 0.95 0.83 0.00 -1.62 -3.00 103.07 99.27 3pgh h GLY 526 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3pgh h GLY 526 CO -0.01 0.01 -0.33 0.00 0.00 0.00 0.00 176.54 176.21 3pgh h ALA 527 N 1.86 -0.93 -0.80 3.60 0.00 -1.48 -0.26 119.26 121.25 3pgh h ALA 527 Ca 0.13 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.99 3pgh h ALA 527 Cb 0.47 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 3pgh h ALA 527 CO -0.01 -0.99 0.33 -1.35 0.00 0.00 0.00 179.25 177.23 3pgh h PRO 528 N -1.00 0.43 0.54 0.00 0.11 -1.72 -1.56 132.00 128.80 3pgh h PRO 528 Ca -0.10 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3pgh h PRO 528 Cb 0.73 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.75 3pgh h PRO 528 CO 0.16 0.28 -0.26 0.74 -0.21 0.00 0.00 178.00 178.71 3pgh h PHE 529 N 0.44 -0.68 -0.75 0.65 0.04 -1.46 -2.90 116.94 112.28 3pgh h PHE 529 Ca 0.46 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.26 3pgh h PHE 529 Cb 0.75 0.22 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 3pgh h PHE 529 CO -0.16 -0.38 0.49 1.03 -0.60 0.00 0.00 178.31 178.70 3pgh h SER 530 N -0.84 0.76 0.37 2.17 0.87 -0.32 -2.58 113.55 113.97 3pgh h SER 530 Ca -0.07 -0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.24 3pgh h SER 530 Cb 0.61 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3pgh h SER 530 CO 0.12 0.51 -1.01 -0.07 -0.53 0.00 0.00 176.83 175.85 3pgh h LEU 531 N 0.87 0.54 -0.30 2.23 3.38 -1.38 -3.01 115.31 117.64 3pgh h LEU 531 Ca 0.31 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3pgh h LEU 531 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3pgh h LEU 531 CO -0.10 1.27 -0.03 0.50 0.09 0.00 0.00 178.44 180.18 3pgh h LYS 532 N 0.21 0.55 0.00 1.13 3.11 -1.29 0.86 116.57 121.15 3pgh h LYS 532 Ca -0.09 -0.19 -0.04 0.00 -2.81 0.00 0.00 60.65 57.52 3pgh h LYS 532 Cb 1.66 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.84 3pgh h LYS 532 CO 0.17 0.72 -0.17 0.78 -2.81 0.00 0.00 179.45 178.14 3pgh h GLY 533 N 0.34 0.00 0.09 5.01 0.00 -1.56 0.60 103.07 107.55 3pgh h GLY 533 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 3pgh h GLY 533 CO 0.02 0.00 -0.44 -2.00 0.00 0.00 0.00 176.54 174.12 3pgh h LEU 534 N 0.00 0.06 0.00 3.11 5.85 -1.35 -3.37 115.31 119.61 3pgh h LEU 534 Ca -0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.84 3pgh h LEU 534 Cb 0.49 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3pgh h LEU 534 CO 0.02 1.18 -0.35 0.24 -0.34 0.00 0.00 178.44 179.20 3pgh h MET 535 N -0.91 0.00 -2.08 1.25 2.86 -0.75 -3.34 114.93 111.97 3pgh h MET 535 Ca -0.11 0.00 -0.78 0.00 -2.06 0.00 0.00 59.70 56.75 3pgh h MET 535 Cb 1.17 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.56 3pgh h MET 535 CO -0.03 0.00 1.06 0.41 1.06 0.00 0.00 176.91 179.41 3pgh n GLY 536 N 1.29 5.69 3.38 8.32 0.00 0.21 -4.83 105.19 119.24 3pgh n GLY 536 Ca 0.04 -2.50 -0.32 0.00 0.00 0.00 0.00 46.02 43.24 3pgh n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3pgh s ASN 537 N -1.12 3.61 0.55 1.61 3.84 -1.26 -3.43 114.94 118.74 3pgh s ASN 537 Ca 0.48 -0.34 0.26 0.00 0.21 0.00 0.00 52.86 53.46 3pgh s ASN 537 Cb 0.36 -0.88 1.44 0.00 -0.55 0.00 0.00 41.25 41.62 3pgh s ASN 537 CO -0.33 0.29 2.01 1.55 -2.79 0.00 0.00 177.10 177.83 3pgh h PRO 538 N 5.77 0.00 0.00 0.43 0.13 -1.90 -0.88 132.00 135.55 3pgh h PRO 538 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3pgh h PRO 538 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3pgh h PRO 538 CO 0.50 0.00 0.00 -0.84 -0.23 0.00 0.00 178.00 177.43 3pgh h ILE 539 N 0.00 0.00 0.00 -3.56 3.07 -1.95 0.03 117.51 115.09 3pgh h ILE 539 Ca 0.21 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.47 3pgh h ILE 539 Cb 0.90 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 3pgh h ILE 539 CO -0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 178.15 176.77 3pgh s SER 541 N -3.16 6.88 0.44 0.00 1.04 -0.00 -4.74 113.70 114.17 3pgh s SER 541 Ca 0.12 2.14 0.31 0.00 0.48 0.00 0.00 55.95 59.00 3pgh s SER 541 Cb 0.17 -2.60 1.46 0.00 0.10 0.00 0.00 66.02 65.15 3pgh s SER 541 CO 0.64 -0.41 1.61 -0.65 0.98 0.00 0.00 173.24 175.41 3pgh h PRO 542 N 2.92 0.06 0.00 4.02 0.11 -1.90 0.40 132.00 137.60 3pgh h PRO 542 Ca -0.48 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3pgh h PRO 542 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3pgh h PRO 542 CO 0.64 0.04 -0.36 1.96 -0.21 0.00 0.00 178.00 180.07 3pgh h GLN 543 N 0.06 0.00 0.05 1.05 7.50 -1.92 -3.32 115.11 118.53 3pgh h GLN 543 Ca 0.84 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 59.65 3pgh h GLN 543 Cb 2.69 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 30.18 3pgh h GLN 543 CO -0.42 0.36 -1.93 0.66 -1.50 0.00 0.00 178.83 176.00 3pgh n TYR 544 N -3.25 0.83 -1.57 2.96 4.02 0.11 -4.71 117.16 115.55 3pgh n TYR 544 Ca 0.02 0.24 -0.28 0.00 -0.01 0.00 0.00 57.90 57.87 3pgh n TYR 544 Cb 0.63 -1.10 -0.09 0.00 -0.02 0.00 0.00 39.34 38.76 3pgh n TYR 544 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3pgh n TRP 545 N -3.84 1.63 -3.61 -0.72 -0.00 0.33 -4.62 117.44 106.61 3pgh n TRP 545 Ca -0.37 -0.95 -0.15 0.00 -0.00 0.00 0.00 57.50 56.03 3pgh n TRP 545 Cb 0.91 -2.25 -0.07 0.00 -0.00 0.00 0.00 31.31 29.90 3pgh n TRP 545 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 3pgh s LYS 546 N 7.04 0.86 0.12 5.87 -2.85 -1.26 -4.91 119.74 124.61 3pgh s LYS 546 Ca 0.72 0.79 -0.23 0.00 -1.00 0.00 0.00 55.97 56.25 3pgh s LYS 546 Cb 0.02 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 3pgh s LYS 546 CO 0.18 -0.15 1.20 -2.30 0.10 0.00 0.00 175.35 174.38 3pgh n PRO 547 N 2.29 -0.33 -0.18 1.78 -0.02 -1.26 -0.82 135.00 136.46 3pgh n PRO 547 Ca -0.15 1.18 0.29 0.00 -2.02 0.00 0.00 63.50 62.79 3pgh n PRO 547 Cb 0.56 -1.73 0.73 0.00 -0.02 0.00 0.00 33.50 33.03 3pgh n PRO 547 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3pgh h SER 548 N 0.00 0.00 -0.52 2.55 4.64 -1.93 0.41 113.55 118.70 3pgh h SER 548 Ca 0.12 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.54 3pgh h SER 548 Cb 0.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 3pgh h SER 548 CO -0.71 0.00 0.36 0.74 -0.87 0.00 0.00 176.83 176.35 3pgh h THR 549 N 0.00 0.86 -0.43 2.95 2.02 -1.23 -1.82 112.91 115.25 3pgh h THR 549 Ca 0.43 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.52 3pgh h THR 549 Cb 1.75 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3pgh h THR 549 CO -0.00 0.05 0.00 0.49 0.37 0.00 0.00 175.52 176.42 3pgh n PHE 550 N -4.45 0.57 -0.06 3.16 3.72 0.14 -4.92 117.46 115.61 3pgh n PHE 550 Ca 0.09 -0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 3pgh n PHE 550 Cb 0.41 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3pgh n PHE 550 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3pgh n GLY 551 N 1.17 0.97 0.00 1.37 0.00 -0.69 -4.44 105.19 103.57 3pgh n GLY 551 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3pgh n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pgh n GLY 552 N -2.06 0.60 0.22 -0.02 0.00 -0.94 -4.67 105.19 98.32 3pgh n GLY 552 Ca 0.00 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 44.00 3pgh n GLY 552 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3pgh h GLU 553 N 8.46 0.00 -0.08 1.61 4.57 -1.95 -3.07 114.58 124.13 3pgh h GLU 553 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3pgh h GLU 553 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3pgh h GLU 553 CO 0.00 0.00 -0.34 -0.24 -1.18 0.00 0.00 179.01 177.25 3pgh h VAL 554 N 0.00 1.41 0.00 0.32 3.04 -1.94 -2.90 116.25 116.18 3pgh h VAL 554 Ca 0.00 -1.72 -0.01 0.00 -1.01 0.00 0.00 66.70 63.96 3pgh h VAL 554 Cb 0.74 2.28 -0.00 0.00 -2.01 0.00 0.00 31.29 32.30 3pgh h VAL 554 CO 0.00 0.50 -0.03 1.23 -1.01 0.00 0.00 177.57 178.26 3pgh h GLY 555 N -0.10 0.00 2.00 3.17 0.00 -1.77 -2.59 103.07 103.77 3pgh h GLY 555 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 3pgh h GLY 555 CO 0.07 0.00 -0.57 -2.75 0.00 0.00 0.00 176.54 173.29 3pgh h PHE 556 N 0.00 0.00 -0.04 5.60 3.57 -1.50 -3.09 116.94 121.48 3pgh h PHE 556 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3pgh h PHE 556 Cb 0.70 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 3pgh h PHE 556 CO 0.00 0.57 -0.05 0.87 -2.23 0.00 0.00 178.31 177.47 3pgh h LYS 557 N 0.00 0.11 -0.88 1.11 1.79 -1.25 -1.44 116.57 116.01 3pgh h LYS 557 Ca -0.01 -0.06 0.19 0.00 -2.18 0.00 0.00 60.65 58.59 3pgh h LYS 557 Cb 1.23 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.72 3pgh h LYS 557 CO 0.07 0.58 -0.17 0.82 -1.08 0.00 0.00 179.45 179.68 3pgh h ILE 558 N -0.37 0.13 0.11 1.86 2.04 -1.49 0.55 117.51 120.34 3pgh h ILE 558 Ca 0.01 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3pgh h ILE 558 Cb 0.57 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3pgh h ILE 558 CO 0.01 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.51 3pgh h ILE 559 N 0.01 1.04 0.00 -0.67 2.04 -1.47 -2.94 117.51 115.53 3pgh h ILE 559 Ca 0.44 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3pgh h ILE 559 Cb 0.71 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3pgh h ILE 559 CO -0.89 0.15 0.00 0.59 0.00 0.00 0.00 178.15 178.01 3pgh n ASN 560 N -5.02 0.00 -0.11 1.72 3.02 0.15 -2.74 115.26 112.29 3pgh n ASN 560 Ca -0.09 0.25 0.06 0.00 -0.03 0.00 0.00 54.58 54.77 3pgh n ASN 560 Cb 0.20 -0.38 0.09 0.00 -0.61 0.00 0.00 39.78 39.07 3pgh n ASN 560 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3pgh n THR 561 N -1.38 1.50 -2.47 3.41 -2.24 0.12 -5.05 114.28 108.16 3pgh n THR 561 Ca 0.06 -1.66 -0.41 0.00 -2.27 0.00 0.00 64.05 59.78 3pgh n THR 561 Cb 0.17 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 3pgh n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3pgh s ALA 562 N -2.00 3.40 0.21 6.98 0.00 -1.11 -4.96 121.76 124.29 3pgh s ALA 562 Ca 0.19 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 3pgh s ALA 562 Cb 0.16 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 3pgh s ALA 562 CO 0.03 -0.19 0.41 -1.54 0.00 0.00 0.00 175.76 174.47 3pgh s SER 563 N -0.60 -0.07 0.23 0.00 1.04 -1.26 -4.47 113.70 108.56 3pgh s SER 563 Ca 0.46 -0.84 0.08 0.00 0.48 0.00 0.00 55.95 56.13 3pgh s SER 563 Cb -0.31 0.53 0.21 0.00 0.10 0.00 0.00 66.02 66.55 3pgh s SER 563 CO 0.39 -1.04 1.53 -0.29 0.98 0.00 0.00 173.24 174.81 3pgh h ILE 564 N 2.35 1.49 -0.60 -1.02 6.09 -1.96 -1.27 117.51 122.57 3pgh h ILE 564 Ca -0.29 -2.36 -0.09 0.00 -1.37 0.00 0.00 64.86 60.75 3pgh h ILE 564 Cb 1.25 2.27 -0.02 0.00 0.47 0.00 0.00 36.82 40.78 3pgh h ILE 564 CO 0.40 0.68 0.03 -0.61 -3.07 0.00 0.00 178.15 175.58 3pgh h GLN 565 N 0.03 1.05 -0.45 2.19 5.75 -1.96 -0.49 115.11 121.22 3pgh h GLN 565 Ca -0.01 -0.32 -0.10 0.00 -0.15 0.00 0.00 58.65 58.07 3pgh h GLN 565 Cb 1.25 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 3pgh h GLN 565 CO 0.10 1.01 -0.09 0.77 -2.65 0.00 0.00 178.83 177.97 3pgh h SER 566 N 0.95 0.87 -0.43 -0.69 0.02 -1.87 0.29 113.55 112.68 3pgh h SER 566 Ca 0.17 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.81 3pgh h SER 566 Cb 0.52 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3pgh h SER 566 CO 0.03 1.02 0.21 0.25 -1.14 0.00 0.00 176.83 177.19 3pgh h LEU 567 N 0.70 0.29 -0.10 5.07 5.85 -0.57 -1.15 115.31 125.41 3pgh h LEU 567 Ca 0.12 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3pgh h LEU 567 Cb 0.63 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3pgh h LEU 567 CO 0.04 0.21 -0.31 0.40 -0.34 0.00 0.00 178.44 178.44 3pgh h ILE 568 N 0.42 1.40 -0.76 4.05 5.03 -0.94 -3.04 117.51 123.67 3pgh h ILE 568 Ca 0.19 -1.65 0.13 0.00 -0.12 0.00 0.00 64.86 63.41 3pgh h ILE 568 Cb 0.11 2.20 -0.09 0.00 -3.03 0.00 0.00 36.82 36.01 3pgh h ILE 568 CO -0.14 0.48 0.34 0.00 -0.68 0.00 0.00 178.15 178.15 3pgh h ASN 570 N 0.52 0.00 -0.00 0.00 2.35 -1.25 -3.35 115.58 113.84 3pgh h ASN 570 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3pgh h ASN 570 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3pgh h ASN 570 CO -0.36 0.35 -0.01 0.59 -1.65 0.00 0.00 177.43 176.36 3pgh n ASN 571 N -3.39 0.30 -4.59 5.81 3.02 -0.79 -5.01 115.26 110.61 3pgh n ASN 571 Ca 0.01 -0.65 -0.34 0.00 -0.03 0.00 0.00 54.58 53.57 3pgh n ASN 571 Cb 0.54 0.72 -0.11 0.00 -0.61 0.00 0.00 39.78 40.32 3pgh n ASN 571 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3pgh s VAL 572 N -0.74 4.23 0.09 2.41 1.01 0.16 -4.99 120.40 122.57 3pgh s VAL 572 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3pgh s VAL 572 Cb 0.00 -2.85 0.14 0.00 0.00 0.00 0.00 36.38 33.67 3pgh s VAL 572 CO 0.01 0.52 0.49 1.17 0.00 0.00 0.00 175.10 177.29 3pgh n LYS 573 N 3.12 -0.03 -0.15 2.72 3.00 -1.26 -2.05 118.16 123.51 3pgh n LYS 573 Ca -0.18 0.49 0.09 0.00 -0.00 0.00 0.00 58.31 58.72 3pgh n LYS 573 Cb 0.53 -0.73 0.14 0.00 0.00 0.00 0.00 35.03 34.96 3pgh n LYS 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3pgh n GLY 574 N -1.19 4.62 3.13 3.14 0.00 -1.26 -4.98 105.19 108.64 3pgh n GLY 574 Ca 0.05 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 3pgh n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pgh n PRO 576 N -3.83 1.73 -2.21 0.00 -0.02 -1.26 -4.85 135.00 124.56 3pgh n PRO 576 Ca -0.19 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 3pgh n PRO 576 Cb 0.63 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3pgh n PRO 576 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3pgh s PHE 577 N -0.27 2.85 0.27 6.00 5.36 -1.26 -4.58 117.98 126.34 3pgh s PHE 577 Ca 0.68 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 58.16 3pgh s PHE 577 Cb -0.70 -3.44 -0.03 0.00 -0.34 0.00 0.00 43.02 38.51 3pgh s PHE 577 CO 0.52 -1.64 0.26 0.99 -1.46 0.00 0.00 175.22 173.89 3pgh s THR 578 N -1.49 0.00 0.00 0.12 2.01 -1.26 -4.75 115.64 110.27 3pgh s THR 578 Ca 0.63 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.75 3pgh s THR 578 Cb -0.31 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.72 3pgh s THR 578 CO 0.37 0.00 0.00 -0.24 -0.69 0.00 0.00 174.62 174.06 3pgh n SER 579 N -0.84 0.00 -0.89 3.53 2.88 -1.26 -4.81 113.62 112.23 3pgh n SER 579 Ca 0.03 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.69 3pgh n SER 579 Cb 0.64 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.30 3pgh n SER 579 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3pgh n PHE 580 N -0.09 0.09 -5.06 0.66 3.72 -1.26 -4.52 117.46 111.00 3pgh n PHE 580 Ca 0.00 -0.05 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 3pgh n PHE 580 Cb 0.00 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 3pgh n PHE 580 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3pgh s ASN 581 N -1.90 3.48 -0.48 4.37 2.47 -1.26 -2.38 114.94 119.24 3pgh s ASN 581 Ca 0.32 -0.42 -0.26 0.00 0.42 0.00 0.00 52.86 52.92 3pgh s ASN 581 Cb 0.21 -1.17 0.03 0.00 -1.45 0.00 0.00 41.25 38.87 3pgh s ASN 581 CO 0.31 0.22 0.98 0.54 -3.72 0.00 0.00 177.10 175.43 3pgh s VAL 582 N -0.01 4.39 0.00 -5.21 0.11 0.26 -4.82 120.40 115.11 3pgh s VAL 582 Ca -0.06 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 3pgh s VAL 582 Cb -0.15 -4.49 0.00 0.00 -1.53 0.00 0.00 36.38 30.21 3pgh s VAL 582 CO 0.05 -0.93 0.00 0.00 -3.33 0.00 0.00 175.10 170.89