#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3j s VAL 9 N 0.00 0.14 -0.31 2.46 1.01 -0.30 -4.98 120.40 118.42 1h3j s VAL 9 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1h3j s VAL 9 Cb 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1h3j s VAL 9 CO 0.00 -0.29 0.06 -0.89 0.00 0.00 0.00 175.10 173.98 1h3j s THR 10 N -0.90 3.65 0.77 3.92 2.01 -1.26 -0.74 115.64 123.09 1h3j s THR 10 Ca -0.09 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 60.82 1h3j s THR 10 Cb -0.06 -2.97 0.06 0.00 0.01 0.00 0.00 72.50 69.53 1h3j s THR 10 CO -0.00 -0.02 1.08 0.00 -0.69 0.00 0.00 174.62 174.98 1h3j h PRO 12 N -1.08 0.09 -0.37 0.00 0.11 -1.96 -0.12 132.00 128.67 1h3j h PRO 12 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h3j h PRO 12 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1h3j h PRO 12 CO 0.54 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.80 1h3j n GLY 13 N -1.44 0.70 0.34 -0.55 0.00 -1.26 -4.91 105.19 98.07 1h3j n GLY 13 Ca 0.37 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h3j n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 14 N 0.99 3.37 3.73 -0.02 0.00 -0.06 -5.04 105.19 108.17 1h3j n GLY 14 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1h3j n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h3j s GLN 15 N -0.76 4.26 0.12 1.61 1.11 -1.25 -4.69 119.66 120.06 1h3j s GLN 15 Ca 0.00 2.27 -0.06 0.00 0.01 0.00 0.00 55.36 57.57 1h3j s GLN 15 Cb 0.00 -3.16 -0.06 0.00 -1.01 0.00 0.00 33.01 28.78 1h3j s GLN 15 CO 0.00 -0.49 0.38 0.45 0.01 0.00 0.00 175.29 175.65 1h3j s SER 16 N 0.81 6.53 0.37 5.90 0.15 -1.26 -0.08 113.70 126.13 1h3j s SER 16 Ca 0.64 0.65 -0.11 0.00 0.70 0.00 0.00 55.95 57.84 1h3j s SER 16 Cb -0.41 -2.12 0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1h3j s SER 16 CO 0.36 0.09 0.69 1.07 1.20 0.00 0.00 173.24 176.64 1h3j n THR 17 N 0.33 0.00 0.17 6.45 5.66 0.08 -4.96 114.28 122.01 1h3j n THR 17 Ca -0.04 -1.17 0.11 0.00 -3.05 0.00 0.00 64.05 59.91 1h3j n THR 17 Cb 0.52 0.99 -0.00 0.00 -1.55 0.00 0.00 70.33 70.29 1h3j n THR 17 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1h3j n SER 18 N -1.54 0.73 -3.71 1.09 3.41 -1.26 -1.15 113.62 111.18 1h3j n SER 18 Ca -0.06 0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 1h3j n SER 18 Cb 0.58 0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 65.05 1h3j n SER 18 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1h3j s ASN 19 N -5.07 -0.40 0.52 4.04 3.84 -1.26 -4.32 114.94 112.29 1h3j s ASN 19 Ca -0.00 0.63 0.35 0.00 0.21 0.00 0.00 52.86 54.04 1h3j s ASN 19 Cb 0.11 0.68 1.72 0.00 -0.55 0.00 0.00 41.25 43.21 1h3j s ASN 19 CO 0.80 -0.30 2.06 0.77 -2.79 0.00 0.00 177.10 177.64 1h3j h SER 20 N 4.67 0.00 0.75 -4.21 4.64 -1.95 -1.25 113.55 116.19 1h3j h SER 20 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1h3j h SER 20 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1h3j h SER 20 CO 0.30 0.00 -0.06 1.56 -0.87 0.00 0.00 176.83 177.76 1h3j h GLN 21 N 0.00 0.00 0.00 4.77 4.20 -2.00 -2.90 115.11 119.18 1h3j h GLN 21 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h3j h GLN 21 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1h3j h GLN 21 CO 0.00 0.06 -0.03 0.00 -0.67 0.00 0.00 178.83 178.18 1h3j h VAL 24 N 0.71 0.93 0.00 0.00 3.04 -1.80 -2.21 116.25 116.92 1h3j h VAL 24 Ca 0.27 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.89 1h3j h VAL 24 Cb 0.09 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1h3j h VAL 24 CO -0.13 0.03 -0.07 -0.50 -1.01 0.00 0.00 177.57 175.88 1h3j h TRP 25 N 0.14 0.00 -0.14 3.17 4.06 -1.60 -0.62 115.95 120.95 1h3j h TRP 25 Ca 0.13 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.93 1h3j h TRP 25 Cb 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 1h3j h TRP 25 CO -0.00 0.07 -0.52 0.74 -3.56 0.00 0.00 178.44 175.16 1h3j h PHE 26 N 0.00 0.50 -0.14 0.49 -1.00 -1.48 -0.22 116.94 115.09 1h3j h PHE 26 Ca -0.00 -0.17 -0.19 0.00 2.81 0.00 0.00 57.97 60.42 1h3j h PHE 26 Cb 0.21 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1h3j h PHE 26 CO 0.00 0.84 -0.70 -0.44 -1.61 0.00 0.00 178.31 176.40 1h3j h ASP 27 N 0.31 0.70 -0.58 2.17 3.32 -1.25 -2.76 116.42 118.33 1h3j h ASP 27 Ca 0.01 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1h3j h ASP 27 Cb 1.02 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1h3j h ASP 27 CO 0.09 1.20 0.28 0.58 -1.72 0.00 0.00 179.24 179.66 1h3j h VAL 28 N 0.42 1.21 -0.17 -1.35 2.07 -1.15 -2.78 116.25 114.50 1h3j h VAL 28 Ca -0.03 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1h3j h VAL 28 Cb 1.29 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1h3j h VAL 28 CO 0.13 0.24 -0.09 0.25 0.02 0.00 0.00 177.57 178.13 1h3j h LEU 29 N 0.79 -0.28 -1.12 2.57 5.85 -0.92 -0.59 115.31 121.61 1h3j h LEU 29 Ca 0.20 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1h3j h LEU 29 Cb 0.12 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1h3j h LEU 29 CO -0.02 -0.12 0.45 -0.78 -0.34 0.00 0.00 178.44 177.63 1h3j h ASP 30 N -0.07 0.94 0.38 1.25 1.82 -1.49 0.70 116.42 119.95 1h3j h ASP 30 Ca 0.09 -0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1h3j h ASP 30 Cb 0.21 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1h3j h ASP 30 CO -0.21 0.74 -0.18 -0.78 -1.61 0.00 0.00 179.24 177.19 1h3j h ASP 31 N 1.07 -0.43 -0.21 2.28 1.82 -1.14 -1.91 116.42 117.90 1h3j h ASP 31 Ca 0.28 -0.12 0.05 0.00 -0.39 0.00 0.00 57.03 56.85 1h3j h ASP 31 Cb -0.02 0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 1h3j h ASP 31 CO -0.05 -0.11 -0.12 -0.07 -1.61 0.00 0.00 179.24 177.28 1h3j h LEU 32 N -0.77 -0.39 -1.14 2.28 3.38 -0.85 0.17 115.31 117.99 1h3j h LEU 32 Ca -0.05 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1h3j h LEU 32 Cb 0.52 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1h3j h LEU 32 CO 0.09 -0.15 0.52 1.56 0.09 0.00 0.00 178.44 180.54 1h3j h GLN 33 N -0.10 1.10 0.23 1.13 1.08 -0.92 0.94 115.11 118.57 1h3j h GLN 33 Ca 0.12 -0.08 -0.33 0.00 -1.45 0.00 0.00 58.65 56.90 1h3j h GLN 33 Cb 0.28 -0.24 0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1h3j h GLN 33 CO -0.28 0.75 -1.49 1.15 -0.95 0.00 0.00 178.83 178.01 1h3j h THR 34 N 1.13 1.26 0.00 -0.54 2.02 -0.84 0.31 112.91 116.25 1h3j h THR 34 Ca 0.30 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1h3j h THR 34 Cb -0.08 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1h3j h THR 34 CO -0.06 0.83 -0.46 0.59 0.37 0.00 0.00 175.52 176.79 1h3j n ASN 35 N -3.67 1.05 -0.14 4.18 3.02 0.55 -3.06 115.26 117.20 1h3j n ASN 35 Ca -0.17 0.17 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1h3j n ASN 35 Cb 1.09 -0.54 0.02 0.00 -0.61 0.00 0.00 39.78 39.74 1h3j n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1h3j h PHE 36 N -0.46 0.47 -0.43 3.10 3.57 -1.50 -2.33 116.94 119.36 1h3j h PHE 36 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1h3j h PHE 36 Cb 0.46 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1h3j h PHE 36 CO -0.20 0.26 0.00 0.66 -2.23 0.00 0.00 178.31 176.80 1h3j n TYR 37 N -4.86 0.57 -4.06 0.41 0.53 0.26 -4.87 117.16 105.14 1h3j n TYR 37 Ca 0.02 -0.28 -0.28 0.00 -1.02 0.00 0.00 57.90 56.33 1h3j n TYR 37 Cb 0.08 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.35 1h3j n TYR 37 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1h3j n GLN 38 N 0.82 -2.95 -0.33 -0.72 6.02 -0.88 -0.74 117.38 118.60 1h3j n GLN 38 Ca 0.16 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1h3j n GLN 38 Cb 0.39 -4.53 0.00 0.00 1.02 0.00 0.00 30.24 27.13 1h3j n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h3j n GLY 39 N -1.94 1.17 3.44 1.08 0.00 0.83 -4.50 105.19 105.27 1h3j n GLY 39 Ca -0.23 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1h3j n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h3j n SER 40 N 0.23 -5.72 -4.95 1.61 7.64 0.27 -4.99 113.62 107.71 1h3j n SER 40 Ca 0.00 -0.51 -0.23 0.00 1.01 0.00 0.00 58.87 59.14 1h3j n SER 40 Cb 0.07 -4.73 0.01 0.00 -1.01 0.00 0.00 64.21 58.55 1h3j n SER 40 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h3j s LYS 41 N -6.14 3.10 -0.75 1.43 -0.14 0.08 -4.82 119.74 112.50 1h3j s LYS 41 Ca 0.50 -0.41 0.03 0.00 -1.36 0.00 0.00 55.97 54.73 1h3j s LYS 41 Cb -0.22 -2.53 0.30 0.00 -1.68 0.00 0.00 37.83 33.70 1h3j s LYS 41 CO 0.68 -0.28 1.10 0.00 -0.76 0.00 0.00 175.35 176.09 1h3j n GLU 43 N 0.42 3.92 -0.32 0.00 1.02 -1.26 -4.79 120.64 119.63 1h3j n GLU 43 Ca 0.32 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.63 1h3j n GLU 43 Cb 0.37 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.15 1h3j n GLU 43 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1h3j h SER 44 N 0.00 0.38 -0.39 1.62 0.87 -1.76 -1.51 113.55 112.75 1h3j h SER 44 Ca 0.00 0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1h3j h SER 44 Cb 0.00 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1h3j h SER 44 CO 0.00 -0.05 0.26 -0.65 -0.53 0.00 0.00 176.83 175.86 1h3j h PRO 45 N 0.37 0.31 -0.23 2.24 0.11 -1.90 0.22 132.00 133.12 1h3j h PRO 45 Ca 0.62 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.57 1h3j h PRO 45 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h3j h PRO 45 CO -0.57 0.20 -0.43 0.28 -0.21 0.00 0.00 178.00 177.27 1h3j h VAL 46 N 0.32 1.31 -0.56 3.15 2.07 -1.60 -1.53 116.25 119.41 1h3j h VAL 46 Ca 0.17 -1.64 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 1h3j h VAL 46 Cb 0.27 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1h3j h VAL 46 CO -0.04 0.52 0.14 0.03 0.02 0.00 0.00 177.57 178.24 1h3j h ARG 47 N 0.42 0.91 -0.70 1.57 3.08 -1.14 -1.64 114.38 116.86 1h3j h ARG 47 Ca 0.01 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 1h3j h ARG 47 Cb 1.03 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1h3j h ARG 47 CO 0.10 0.84 0.16 0.87 -1.07 0.00 0.00 179.97 180.87 1h3j h LYS 48 N 0.81 1.13 -0.44 0.04 1.79 -0.55 -2.62 116.57 116.73 1h3j h LYS 48 Ca 0.18 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 1h3j h LYS 48 Cb 0.35 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1h3j h LYS 48 CO 0.00 1.01 -0.03 0.97 -1.08 0.00 0.00 179.45 180.32 1h3j h ILE 49 N 1.07 1.24 -0.49 1.86 -0.00 -1.05 -0.53 117.51 119.61 1h3j h ILE 49 Ca 0.22 -1.00 -0.09 0.00 -0.00 0.00 0.00 64.86 63.99 1h3j h ILE 49 Cb 0.39 0.94 -0.02 0.00 -0.00 0.00 0.00 36.82 38.13 1h3j h ILE 49 CO 0.00 0.35 -0.04 -0.07 -0.00 0.00 0.00 178.15 178.39 1h3j h LEU 50 N 0.68 0.83 -0.36 2.19 3.38 -1.03 0.74 115.31 121.73 1h3j h LEU 50 Ca 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1h3j h LEU 50 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1h3j h LEU 50 CO 0.02 0.92 0.07 0.03 0.09 0.00 0.00 178.44 179.58 1h3j h ARG 51 N 0.79 0.59 -0.34 1.13 3.08 -1.10 -2.95 114.38 115.57 1h3j h ARG 51 Ca 0.14 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1h3j h ARG 51 Cb 0.53 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1h3j h ARG 51 CO 0.03 0.65 0.21 0.82 -1.07 0.00 0.00 179.97 180.61 1h3j h ILE 52 N 0.44 1.10 -0.62 2.04 2.04 -0.67 -0.78 117.51 121.07 1h3j h ILE 52 Ca 0.11 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1h3j h ILE 52 Cb 0.33 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1h3j h ILE 52 CO 0.00 0.10 0.34 1.62 0.00 0.00 0.00 178.15 180.21 1h3j h VAL 53 N 0.45 1.19 -0.15 1.67 3.04 -0.84 0.16 116.25 121.75 1h3j h VAL 53 Ca 0.12 -0.47 -0.08 0.00 -1.01 0.00 0.00 66.70 65.27 1h3j h VAL 53 Cb -0.02 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 29.61 1h3j h VAL 53 CO -0.02 0.21 -0.21 0.15 -1.01 0.00 0.00 177.57 176.68 1h3j h PHE 54 N 0.86 0.51 0.00 3.17 -0.00 -1.33 -2.26 116.94 117.89 1h3j h PHE 54 Ca 0.22 -0.17 -0.09 0.00 -0.00 0.00 0.00 57.97 57.93 1h3j h PHE 54 Cb 0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 35.86 1h3j h PHE 54 CO 0.01 0.83 -0.43 0.45 -0.00 0.00 0.00 178.31 179.17 1h3j h HIS 55 N 0.04 0.00 -0.00 0.41 3.86 -0.80 -1.53 115.15 117.13 1h3j h HIS 55 Ca 0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1h3j h HIS 55 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1h3j h HIS 55 CO 0.09 0.43 -0.00 0.22 0.86 0.00 0.00 177.93 179.53 1h3j h ASP 56 N 0.00 0.00 -0.22 2.45 -0.00 -0.98 -3.36 116.42 114.31 1h3j h ASP 56 Ca -0.00 -0.64 -0.11 0.00 -0.00 0.00 0.00 57.03 56.27 1h3j h ASP 56 Cb 0.79 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.11 1h3j h ASP 56 CO 0.06 0.64 -0.24 0.00 -0.00 0.00 0.00 179.24 179.70 1h3j h ALA 57 N 0.36 0.93 0.00 -0.78 0.00 -1.33 -3.17 119.26 115.27 1h3j h ALA 57 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1h3j h ALA 57 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1h3j h ALA 57 CO 0.00 0.61 0.00 1.51 0.00 0.00 0.00 179.25 181.37 1h3j n ILE 58 N -4.11 0.92 -1.73 0.00 0.13 -0.58 -4.04 119.36 109.95 1h3j n ILE 58 Ca -0.00 0.25 -0.42 0.00 -1.10 0.00 0.00 62.75 61.48 1h3j n ILE 58 Cb 0.43 -1.12 -0.01 0.00 -0.84 0.00 0.00 39.64 38.10 1h3j n ILE 58 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1h3j n GLY 59 N -0.06 3.75 3.38 4.50 0.00 -1.20 -4.74 105.19 110.83 1h3j n GLY 59 Ca 0.03 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 1h3j n GLY 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h3j s PHE 60 N 3.90 -0.85 -0.29 1.61 5.36 -1.22 -1.70 117.98 124.79 1h3j s PHE 60 Ca 0.50 1.66 -0.02 0.00 -0.96 0.00 0.00 56.93 58.11 1h3j s PHE 60 Cb 0.12 0.42 0.12 0.00 -0.34 0.00 0.00 43.02 43.34 1h3j s PHE 60 CO -0.02 -0.47 0.21 0.45 -1.46 0.00 0.00 175.22 173.93 1h3j s SER 61 N 2.10 2.65 0.41 6.13 0.15 0.22 -4.47 113.70 120.88 1h3j s SER 61 Ca -0.06 -1.09 0.09 0.00 0.70 0.00 0.00 55.95 55.59 1h3j s SER 61 Cb -0.10 0.05 0.90 0.00 -1.71 0.00 0.00 66.02 65.16 1h3j s SER 61 CO -0.15 -0.41 2.01 -0.65 1.20 0.00 0.00 173.24 175.24 1h3j h PRO 62 N 8.27 0.53 -0.43 5.44 0.11 -1.87 -2.13 132.00 141.92 1h3j h PRO 62 Ca -0.16 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.95 1h3j h PRO 62 Cb 1.04 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 1h3j h PRO 62 CO 0.38 0.35 0.24 0.00 -0.21 0.00 0.00 178.00 178.76 1h3j h ALA 63 N 1.70 0.54 -0.38 -0.75 0.00 -1.93 -0.61 119.26 117.82 1h3j h ALA 63 Ca 0.23 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1h3j h ALA 63 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1h3j h ALA 63 CO -0.06 -0.09 -0.20 -0.07 0.00 0.00 0.00 179.25 178.83 1h3j h LEU 64 N 0.49 0.74 -1.36 0.00 3.38 -1.73 -2.54 115.31 114.28 1h3j h LEU 64 Ca 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1h3j h LEU 64 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1h3j h LEU 64 CO -0.09 0.93 0.03 0.74 0.09 0.00 0.00 178.44 180.14 1h3j h THR 65 N 0.65 1.17 0.00 0.22 2.02 -1.12 0.82 112.91 116.67 1h3j h THR 65 Ca 0.10 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1h3j h THR 65 Cb 0.69 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1h3j h THR 65 CO 0.05 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.16 1h3j n ALA 66 N -2.48 2.06 -0.46 6.16 0.00 -0.27 -1.87 120.51 123.64 1h3j n ALA 66 Ca 0.01 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1h3j n ALA 66 Cb 0.20 -1.39 0.31 0.00 0.00 0.00 0.00 19.45 18.58 1h3j n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3j n ALA 67 N -1.56 2.62 -1.72 0.00 0.00 -0.07 -4.93 120.51 114.85 1h3j n ALA 67 Ca 0.05 -1.42 -0.11 0.00 0.00 0.00 0.00 53.44 51.96 1h3j n ALA 67 Cb 0.29 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1h3j n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3j n GLY 68 N 1.26 0.64 3.66 0.00 0.00 -0.78 -5.02 105.19 104.95 1h3j n GLY 68 Ca 0.23 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1h3j n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h3j s GLN 69 N -3.67 2.10 -0.09 1.61 -0.21 0.09 -5.00 119.66 114.49 1h3j s GLN 69 Ca 0.00 -1.83 -0.30 0.00 0.02 0.00 0.00 55.36 53.25 1h3j s GLN 69 Cb 0.00 -1.90 -0.03 0.00 1.00 0.00 0.00 33.01 32.08 1h3j s GLN 69 CO 0.00 0.03 1.29 0.12 -2.12 0.00 0.00 175.29 174.61 1h3j s PHE 70 N -2.57 2.91 -2.37 0.91 5.36 -1.26 -3.38 117.98 117.58 1h3j s PHE 70 Ca 0.37 0.99 0.22 0.00 -0.96 0.00 0.00 56.93 57.54 1h3j s PHE 70 Cb 0.03 -3.53 0.57 0.00 -0.34 0.00 0.00 43.02 39.74 1h3j s PHE 70 CO 0.20 -1.83 1.46 0.41 -1.46 0.00 0.00 175.22 174.00 1h3j n GLY 71 N 3.57 1.01 0.00 13.12 0.00 -1.26 -4.79 105.19 116.84 1h3j n GLY 71 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1h3j n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 72 N 1.31 1.02 0.77 -0.02 0.00 -1.26 0.71 105.19 107.72 1h3j n GLY 72 Ca 0.17 -1.68 0.11 0.00 0.00 0.00 0.00 46.02 44.63 1h3j n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 73 N 1.12 0.76 7.00 -0.02 0.00 -1.18 -4.52 105.19 108.35 1h3j n GLY 73 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1h3j n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 74 N 1.27 0.82 2.36 -0.02 0.00 -0.69 -4.15 105.19 104.79 1h3j n GLY 74 Ca 0.17 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 1h3j n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3j n ALA 75 N 8.86 5.38 0.49 4.61 0.00 -0.16 -3.87 120.51 135.81 1h3j n ALA 75 Ca 0.00 -2.05 0.10 0.00 0.00 0.00 0.00 53.44 51.50 1h3j n ALA 75 Cb 0.00 -2.80 0.15 0.00 0.00 0.00 0.00 19.45 16.80 1h3j n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h3j n ASP 76 N 3.45 3.06 -0.04 0.00 3.85 -1.26 -4.65 116.55 120.96 1h3j n ASP 76 Ca 0.46 -1.91 -0.00 0.00 -0.71 0.00 0.00 54.79 52.63 1h3j n ASP 76 Cb 0.36 -0.14 -0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1h3j n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1h3j n GLY 77 N 1.25 0.44 0.32 6.12 0.00 -1.26 -3.81 105.19 108.24 1h3j n GLY 77 Ca 0.15 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1h3j n GLY 77 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h3j h SER 78 N 0.00 0.07 0.34 1.61 4.64 -1.89 0.10 113.55 118.43 1h3j h SER 78 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1h3j h SER 78 Cb 0.20 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1h3j h SER 78 CO 0.01 0.05 -0.01 -0.29 -0.87 0.00 0.00 176.83 175.72 1h3j h ILE 79 N 0.08 0.09 0.00 0.95 2.10 -1.90 0.50 117.51 119.34 1h3j h ILE 79 Ca 0.13 -0.21 -0.45 0.00 1.08 0.00 0.00 64.86 65.41 1h3j h ILE 79 Cb 0.42 1.19 -0.07 0.00 -1.09 0.00 0.00 36.82 37.27 1h3j h ILE 79 CO -0.01 0.01 -2.51 -0.38 -1.08 0.00 0.00 178.15 174.18 1h3j n ILE 80 N -3.18 1.51 -0.29 2.19 5.41 -0.22 -3.16 119.36 121.62 1h3j n ILE 80 Ca -0.02 -0.37 -0.00 0.00 1.00 0.00 0.00 62.75 63.36 1h3j n ILE 80 Cb 0.16 -1.88 0.13 0.00 -0.71 0.00 0.00 39.64 37.33 1h3j n ILE 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h3j h ALA 81 N -0.98 1.09 -0.74 -1.39 0.00 -0.84 -2.75 119.26 113.66 1h3j h ALA 81 Ca -0.69 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.68 1h3j h ALA 81 Cb 1.60 -0.21 -0.40 0.00 0.00 0.00 0.00 17.79 18.78 1h3j h ALA 81 CO -0.42 0.22 -0.68 0.72 0.00 0.00 0.00 179.25 179.09 1h3j n HIS 82 N -4.66 2.68 0.08 0.00 8.25 0.17 -4.79 115.22 116.95 1h3j n HIS 82 Ca 0.11 -2.25 0.17 0.00 -0.26 0.00 0.00 57.72 55.49 1h3j n HIS 82 Cb 0.17 -0.42 0.69 0.00 1.12 0.00 0.00 29.99 31.55 1h3j n HIS 82 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1h3j h SER 83 N 2.12 0.00 -0.63 0.41 4.64 -1.44 0.30 113.55 118.96 1h3j h SER 83 Ca 0.37 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.78 1h3j h SER 83 Cb 1.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.52 1h3j h SER 83 CO 0.79 0.00 0.42 -0.55 -0.87 0.00 0.00 176.83 176.62 1h3j h ASN 84 N 0.00 0.47 0.00 4.97 -1.07 -1.86 0.30 115.58 118.38 1h3j h ASN 84 Ca 0.18 0.01 -0.20 0.00 0.07 0.00 0.00 56.30 56.35 1h3j h ASN 84 Cb 0.72 -0.09 -0.03 0.00 -2.07 0.00 0.00 38.32 36.85 1h3j h ASN 84 CO -0.00 0.29 -1.25 -0.38 0.07 0.00 0.00 177.43 176.16 1h3j n ILE 85 N -4.48 1.51 0.03 6.14 2.08 -0.07 -4.46 119.36 120.10 1h3j n ILE 85 Ca 0.10 -0.01 -0.03 0.00 0.56 0.00 0.00 62.75 63.37 1h3j n ILE 85 Cb 0.31 -2.11 0.21 0.00 -0.75 0.00 0.00 39.64 37.30 1h3j n ILE 85 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1h3j h GLU 86 N -1.00 0.44 0.00 0.38 5.08 -0.92 -2.34 114.58 116.21 1h3j h GLU 86 Ca -0.31 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1h3j h GLU 86 Cb 1.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1h3j h GLU 86 CO -0.19 0.67 0.00 1.28 -1.00 0.00 0.00 179.01 179.78 1h3j n LEU 87 N -4.12 0.00 -0.48 1.33 4.32 0.10 -1.30 117.00 116.85 1h3j n LEU 87 Ca -0.01 0.11 0.12 0.00 -0.02 0.00 0.00 56.01 56.22 1h3j n LEU 87 Cb 0.41 -0.11 0.24 0.00 -1.62 0.00 0.00 43.42 42.34 1h3j n LEU 87 CO 0.42 -0.04 0.58 0.00 -1.22 0.00 0.00 177.39 177.13 1h3j n ALA 88 N -1.11 3.04 -1.91 -1.18 0.00 -0.88 -4.64 120.51 113.83 1h3j n ALA 88 Ca 0.14 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1h3j n ALA 88 Cb 0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1h3j n ALA 88 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1h3j s PHE 89 N -2.32 3.16 0.51 0.00 0.08 -0.42 -4.90 117.98 114.10 1h3j s PHE 89 Ca 0.26 1.24 0.26 0.00 0.12 0.00 0.00 56.93 58.80 1h3j s PHE 89 Cb 0.19 -3.66 1.37 0.00 -0.57 0.00 0.00 43.02 40.35 1h3j s PHE 89 CO 0.47 -2.01 1.93 -1.35 -0.10 0.00 0.00 175.22 174.15 1h3j h PRO 90 N 4.76 0.08 0.00 0.24 0.11 -1.90 -0.63 132.00 134.67 1h3j h PRO 90 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h3j h PRO 90 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1h3j h PRO 90 CO 0.74 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 1h3j n ALA 91 N -2.65 2.47 -1.43 -0.75 0.00 -1.26 -4.00 120.51 112.89 1h3j n ALA 91 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1h3j n ALA 91 Cb 0.76 -1.46 0.20 0.00 0.00 0.00 0.00 19.45 18.95 1h3j n ALA 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h3j n ASN 92 N -1.17 2.57 -4.84 0.00 3.02 -0.24 -5.02 115.26 109.58 1h3j n ASN 92 Ca 0.17 -3.75 -0.32 0.00 -0.03 0.00 0.00 54.58 50.65 1h3j n ASN 92 Cb 0.17 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.67 1h3j n ASN 92 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1h3j s GLY 93 N -2.46 2.07 -0.68 7.41 0.00 -1.26 -3.93 107.32 108.47 1h3j s GLY 93 Ca 0.45 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1h3j s GLY 93 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.21 1h3j n GLY 94 N -1.51 0.86 0.04 0.20 0.00 -1.26 -4.90 105.19 98.62 1h3j n GLY 94 Ca 0.07 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.53 1h3j n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h3j n LEU 95 N -0.73 0.50 -0.14 0.99 4.77 -1.25 -4.79 117.00 116.35 1h3j n LEU 95 Ca -0.06 -0.57 -0.06 0.00 -0.03 0.00 0.00 56.01 55.28 1h3j n LEU 95 Cb 0.24 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1h3j n LEU 95 CO 0.10 0.11 0.68 0.74 -1.33 0.00 0.00 177.39 177.69 1h3j h THR 96 N 0.21 0.30 -0.71 -5.08 2.02 -1.91 -0.88 112.91 106.86 1h3j h THR 96 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1h3j h THR 96 Cb 0.18 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1h3j h THR 96 CO 0.00 0.00 0.46 0.44 0.37 0.00 0.00 175.52 176.79 1h3j h ASP 97 N -0.17 0.84 -0.10 4.18 3.32 -2.00 -1.67 116.42 120.82 1h3j h ASP 97 Ca 0.20 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1h3j h ASP 97 Cb 0.50 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1h3j h ASP 97 CO -0.55 0.63 0.03 0.74 -1.72 0.00 0.00 179.24 178.37 1h3j h THR 98 N 0.97 1.16 -0.99 0.35 2.02 -1.72 -2.42 112.91 112.28 1h3j h THR 98 Ca 0.26 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 67.03 1h3j h THR 98 Cb -0.08 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 1h3j h THR 98 CO -0.05 0.14 0.64 0.58 0.37 0.00 0.00 175.52 177.19 1h3j h VAL 99 N -0.02 1.05 -0.37 3.16 2.07 -0.92 -1.69 116.25 119.53 1h3j h VAL 99 Ca 0.03 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 1h3j h VAL 99 Cb 0.19 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1h3j h VAL 99 CO -0.00 0.20 -0.33 -0.33 0.02 0.00 0.00 177.57 177.13 1h3j h GLU 100 N 1.12 0.83 -0.32 1.57 4.39 -1.25 0.48 114.58 121.40 1h3j h GLU 100 Ca 0.44 -0.40 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1h3j h GLU 100 Cb 0.24 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1h3j h GLU 100 CO -0.19 1.04 0.19 0.00 -1.16 0.00 0.00 179.01 178.88 1h3j h ALA 101 N 0.92 0.40 -0.21 3.43 0.00 -0.96 -2.28 119.26 120.57 1h3j h ALA 101 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1h3j h ALA 101 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1h3j h ALA 101 CO 0.08 -0.18 -0.33 -0.07 0.00 0.00 0.00 179.25 178.76 1h3j h LEU 102 N 0.38 0.44 -0.40 0.00 3.38 -1.06 -2.95 115.31 115.10 1h3j h LEU 102 Ca 0.12 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1h3j h LEU 102 Cb -0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1h3j h LEU 102 CO -0.06 0.74 0.15 -0.09 0.09 0.00 0.00 178.44 179.27 1h3j h ARG 103 N 0.37 0.30 -0.67 1.13 2.43 -0.45 -1.95 114.38 115.54 1h3j h ARG 103 Ca 0.04 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1h3j h ARG 103 Cb 0.76 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 1h3j h ARG 103 CO 0.06 0.20 0.44 0.00 -1.51 0.00 0.00 179.97 179.16 1h3j h ALA 104 N 1.25 0.85 -0.44 2.80 0.00 -1.26 -1.56 119.26 120.90 1h3j h ALA 104 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1h3j h ALA 104 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1h3j h ALA 104 CO -0.18 0.25 0.13 0.28 0.00 0.00 0.00 179.25 179.73 1h3j h VAL 105 N 0.88 1.22 -0.63 0.00 2.07 -1.35 -0.48 116.25 117.96 1h3j h VAL 105 Ca 0.25 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1h3j h VAL 105 Cb -0.07 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1h3j h VAL 105 CO -0.07 0.27 0.16 1.23 0.02 0.00 0.00 177.57 179.18 1h3j h GLY 106 N 0.58 1.09 0.88 2.17 0.00 -1.09 -1.84 103.07 104.85 1h3j h GLY 106 Ca 0.14 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 1h3j h GLY 106 CO -0.00 0.63 -0.08 -2.22 0.00 0.00 0.00 176.54 174.87 1h3j h ILE 107 N 0.93 1.28 -0.32 2.60 2.04 -1.18 -0.48 117.51 122.39 1h3j h ILE 107 Ca 0.20 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1h3j h ILE 107 Cb 0.35 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1h3j h ILE 107 CO 0.00 0.35 -0.04 0.78 0.00 0.00 0.00 178.15 179.24 1h3j h ASN 108 N 0.31 0.47 -0.02 1.72 -0.26 -0.94 -2.84 115.58 114.02 1h3j h ASN 108 Ca 0.07 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1h3j h ASN 108 Cb 0.56 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1h3j h ASN 108 CO 0.03 0.57 -0.13 1.41 -1.06 0.00 0.00 177.43 178.25 1h3j n HIS 109 N -4.26 0.00 -3.54 1.19 8.25 -0.71 -4.98 115.22 111.17 1h3j n HIS 109 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 1h3j n HIS 109 Cb 0.27 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.46 1h3j n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h3j n GLY 110 N 1.37 -0.45 3.63 -1.41 0.00 -0.27 -5.02 105.19 103.04 1h3j n GLY 110 Ca 0.13 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 1h3j n GLY 110 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h3j s VAL 111 N -3.35 3.55 0.62 1.61 -7.23 -0.73 -5.05 120.40 109.83 1h3j s VAL 111 Ca 0.30 -1.43 -0.17 0.00 -1.81 0.00 0.00 61.98 58.87 1h3j s VAL 111 Cb -0.13 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 1h3j s VAL 111 CO 0.74 -0.06 1.17 -0.94 -0.31 0.00 0.00 175.10 175.70 1h3j s SER 112 N -2.75 5.13 0.31 4.85 1.04 -1.26 -4.68 113.70 116.34 1h3j s SER 112 Ca 0.26 2.25 0.02 0.00 0.48 0.00 0.00 55.95 58.95 1h3j s SER 112 Cb -0.10 -2.58 0.50 0.00 0.10 0.00 0.00 66.02 63.94 1h3j s SER 112 CO 0.17 -1.62 1.83 -0.26 0.98 0.00 0.00 173.24 174.34 1h3j h PHE 113 N 0.58 0.65 -0.21 5.02 0.04 -1.85 -1.84 116.94 119.33 1h3j h PHE 113 Ca -0.49 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.16 1h3j h PHE 113 Cb 1.28 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1h3j h PHE 113 CO 0.49 0.63 -0.05 0.78 -0.60 0.00 0.00 178.31 179.56 1h3j h GLY 114 N 0.90 0.43 0.94 -1.45 0.00 -1.83 -2.39 103.07 99.67 1h3j h GLY 114 Ca 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1h3j h GLY 114 CO 0.01 0.32 0.15 -0.55 0.00 0.00 0.00 176.54 176.47 1h3j h ASP 115 N 0.12 0.38 -0.80 0.19 5.19 -1.81 -2.89 116.42 116.81 1h3j h ASP 115 Ca 0.05 -0.12 0.12 0.00 -0.62 0.00 0.00 57.03 56.47 1h3j h ASP 115 Cb 0.49 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.82 1h3j h ASP 115 CO 0.02 0.39 0.41 0.25 -3.12 0.00 0.00 179.24 177.19 1h3j h LEU 116 N 0.35 0.52 -0.40 1.55 5.85 -1.32 0.11 115.31 121.96 1h3j h LEU 116 Ca 0.10 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1h3j h LEU 116 Cb 0.11 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1h3j h LEU 116 CO -0.01 0.26 0.10 0.40 -0.34 0.00 0.00 178.44 178.84 1h3j h ILE 117 N 0.64 1.23 -0.73 4.05 2.04 -1.33 0.37 117.51 123.78 1h3j h ILE 117 Ca 0.41 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1h3j h ILE 117 Cb 0.51 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1h3j h ILE 117 CO -0.32 0.27 0.33 1.56 0.00 0.00 0.00 178.15 180.00 1h3j h GLN 118 N 0.51 1.07 0.05 2.37 1.08 -1.22 -1.87 115.11 117.10 1h3j h GLN 118 Ca 0.13 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1h3j h GLN 118 Cb 0.31 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1h3j h GLN 118 CO 0.00 0.85 -0.03 0.35 -0.95 0.00 0.00 178.83 179.06 1h3j h PHE 119 N 1.03 -0.07 -0.20 2.96 3.04 -0.65 -2.52 116.94 120.53 1h3j h PHE 119 Ca 0.25 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.23 1h3j h PHE 119 Cb 0.15 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 1h3j h PHE 119 CO 0.01 0.25 0.14 0.00 -2.02 0.00 0.00 178.31 176.69 1h3j h ALA 120 N 0.53 2.06 -0.24 2.41 0.00 -0.84 -1.06 119.26 122.13 1h3j h ALA 120 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1h3j h ALA 120 Cb 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1h3j h ALA 120 CO 0.01 -0.10 -0.18 1.15 0.00 0.00 0.00 179.25 180.12 1h3j h THR 121 N 0.10 1.31 -0.54 0.00 2.02 -1.18 0.44 112.91 115.07 1h3j h THR 121 Ca 0.09 -1.32 -0.11 0.00 0.77 0.00 0.00 66.41 65.84 1h3j h THR 121 Cb 0.23 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1h3j h THR 121 CO -0.01 0.41 -0.11 0.00 0.37 0.00 0.00 175.52 176.18 1h3j h ALA 122 N 0.69 0.74 -0.18 6.16 0.00 -1.01 -1.40 119.26 124.25 1h3j h ALA 122 Ca 0.04 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 1h3j h ALA 122 Cb 0.72 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1h3j h ALA 122 CO 0.05 0.65 -0.73 0.28 0.00 0.00 0.00 179.25 179.50 1h3j h VAL 123 N 0.90 1.27 -0.42 0.00 2.07 -1.22 -2.91 116.25 115.95 1h3j h VAL 123 Ca 0.14 -1.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1h3j h VAL 123 Cb 0.68 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1h3j h VAL 123 CO 0.05 0.61 0.26 1.23 0.02 0.00 0.00 177.57 179.74 1h3j h GLY 124 N 0.57 0.60 2.00 2.17 0.00 -0.71 -2.73 103.07 104.97 1h3j h GLY 124 Ca -0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1h3j h GLY 124 CO 0.15 0.24 -0.15 -0.33 0.00 0.00 0.00 176.54 176.45 1h3j h MET 125 N 0.56 0.00 0.00 4.80 2.86 -1.25 -1.94 114.93 119.96 1h3j h MET 125 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1h3j h MET 125 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1h3j h MET 125 CO -0.03 0.15 0.00 0.66 1.06 0.00 0.00 176.91 178.75 1h3j h SER 126 N 0.00 0.00 0.22 1.22 4.64 -1.28 -0.58 113.55 117.77 1h3j h SER 126 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h3j h SER 126 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1h3j h SER 126 CO 0.02 0.00 -0.16 0.59 -0.87 0.00 0.00 176.83 176.41 1h3j n ASN 127 N -2.58 0.92 -4.36 4.97 3.02 -0.73 -3.87 115.26 112.62 1h3j n ASN 127 Ca -0.00 -0.92 -0.36 0.00 -0.03 0.00 0.00 54.58 53.27 1h3j n ASN 127 Cb 0.15 0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.24 1h3j n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h3j n PRO 129 N 4.86 1.75 0.00 0.00 -0.02 -1.25 -2.43 135.00 137.90 1h3j n PRO 129 Ca -0.16 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1h3j n PRO 129 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1h3j n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3j n GLY 130 N 1.31 2.31 3.77 -1.23 0.00 -0.33 -1.13 105.19 109.89 1h3j n GLY 130 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1h3j n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h3j s SER 131 N -1.53 6.53 0.84 1.61 0.01 -1.02 -4.79 113.70 115.35 1h3j s SER 131 Ca 0.00 2.51 -0.12 0.00 1.31 0.00 0.00 55.95 59.66 1h3j s SER 131 Cb 0.00 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.72 1h3j s SER 131 CO 0.00 -0.69 1.19 -2.16 0.41 0.00 0.00 173.24 171.99 1h3j s PRO 132 N -2.14 1.51 -0.37 12.44 0.04 -1.26 -4.48 135.00 140.74 1h3j s PRO 132 Ca 0.55 -0.21 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 1h3j s PRO 132 Cb -0.35 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1h3j s PRO 132 CO 0.45 -1.82 0.46 0.50 0.04 0.00 0.00 177.00 176.63 1h3j s ARG 133 N -5.61 3.45 0.37 4.56 3.52 -1.26 -4.79 118.95 119.20 1h3j s ARG 133 Ca 0.66 -0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 55.62 1h3j s ARG 133 Cb -0.08 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.36 1h3j s ARG 133 CO 0.49 -0.69 1.01 -0.51 -0.81 0.00 0.00 175.30 174.80 1h3j s LEU 134 N 2.25 4.21 0.49 -0.88 1.43 -1.26 -5.02 118.68 119.90 1h3j s LEU 134 Ca 0.15 1.95 -0.22 0.00 -1.03 0.00 0.00 54.13 54.98 1h3j s LEU 134 Cb -0.16 -4.13 -0.07 0.00 0.03 0.00 0.00 46.19 41.87 1h3j s LEU 134 CO 0.13 -0.32 1.20 -0.70 0.23 0.00 0.00 176.35 176.89 1h3j s GLU 135 N -2.35 3.58 -0.16 1.70 2.12 -1.26 -4.94 118.70 117.39 1h3j s GLU 135 Ca 0.55 1.84 -0.03 0.00 0.36 0.00 0.00 54.97 57.69 1h3j s GLU 135 Cb -0.20 -2.32 0.05 0.00 0.26 0.00 0.00 34.13 31.92 1h3j s GLU 135 CO 0.26 -0.72 0.03 0.12 -0.54 0.00 0.00 175.26 174.41 1h3j s PHE 136 N -1.53 0.83 -0.06 5.30 5.36 -1.26 -4.96 117.98 121.65 1h3j s PHE 136 Ca 0.66 -0.62 -0.00 0.00 -0.96 0.00 0.00 56.93 56.02 1h3j s PHE 136 Cb -0.30 -0.93 -0.03 0.00 -0.34 0.00 0.00 43.02 41.42 1h3j s PHE 136 CO 0.36 -0.53 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.05 1h3j s LEU 137 N 1.92 3.39 0.22 6.12 1.02 -1.26 -0.73 118.68 129.36 1h3j s LEU 137 Ca 0.01 0.05 0.11 0.00 0.02 0.00 0.00 54.13 54.31 1h3j s LEU 137 Cb -0.16 -1.79 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 1h3j s LEU 137 CO -0.07 0.35 -0.20 0.28 0.02 0.00 0.00 176.35 176.73 1h3j s THR 138 N -0.89 2.22 0.00 5.49 -1.32 0.44 -4.89 115.64 116.70 1h3j s THR 138 Ca 0.14 -2.17 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 1h3j s THR 138 Cb -0.11 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 1h3j s THR 138 CO 0.03 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1h3j n GLY 139 N -0.14 1.01 3.74 6.08 0.00 -1.26 -1.17 105.19 113.45 1h3j n GLY 139 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1h3j n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h3j s ARG 140 N 0.00 4.47 0.63 1.61 0.52 -1.26 -4.93 118.95 119.98 1h3j s ARG 140 Ca 0.00 1.93 -0.18 0.00 -0.52 0.00 0.00 55.73 56.96 1h3j s ARG 140 Cb 0.00 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.22 1h3j s ARG 140 CO 0.00 -0.12 1.07 0.45 0.02 0.00 0.00 175.30 176.72 1h3j n SER 141 N 2.42 1.17 -0.06 0.23 2.88 -1.26 -4.67 113.62 114.33 1h3j n SER 141 Ca 0.04 0.80 0.13 0.00 -1.33 0.00 0.00 58.87 58.52 1h3j n SER 141 Cb 0.44 -1.45 0.46 0.00 -0.75 0.00 0.00 64.21 62.91 1h3j n SER 141 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1h3j n ASN 142 N -1.20 0.43 -4.76 -3.46 5.15 -1.26 -4.73 115.26 105.44 1h3j n ASN 142 Ca 0.15 -0.24 -0.40 0.00 -0.60 0.00 0.00 54.58 53.49 1h3j n ASN 142 Cb 0.48 -0.03 -0.05 0.00 -0.53 0.00 0.00 39.78 39.64 1h3j n ASN 142 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1h3j s SER 143 N -2.79 7.30 0.10 1.20 0.01 -1.26 -4.76 113.70 113.49 1h3j s SER 143 Ca 0.19 1.54 -0.18 0.00 1.31 0.00 0.00 55.95 58.81 1h3j s SER 143 Cb 0.19 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.97 1h3j s SER 143 CO 0.57 0.09 0.43 -0.94 0.41 0.00 0.00 173.24 173.80 1h3j s SER 144 N -0.48 -0.30 0.14 2.44 1.04 -1.26 -5.04 113.70 110.24 1h3j s SER 144 Ca 0.38 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.73 1h3j s SER 144 Cb -0.22 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1h3j s SER 144 CO 0.25 -0.79 0.00 -1.10 0.98 0.00 0.00 173.24 172.57 1h3j s GLN 145 N -3.26 2.46 0.37 4.02 -0.21 -1.26 -4.98 119.66 116.79 1h3j s GLN 145 Ca -0.01 -1.00 -0.28 0.00 0.02 0.00 0.00 55.36 54.09 1h3j s GLN 145 Cb 0.01 -2.43 -0.11 0.00 1.00 0.00 0.00 33.01 31.48 1h3j s GLN 145 CO -0.08 0.49 1.49 -2.14 -2.12 0.00 0.00 175.29 172.93 1h3j s PRO 146 N -2.70 4.11 0.53 2.91 0.02 -1.26 -4.70 135.00 133.92 1h3j s PRO 146 Ca 0.27 2.57 -0.21 0.00 0.02 0.00 0.00 61.00 63.65 1h3j s PRO 146 Cb -0.10 -2.97 -0.05 0.00 0.02 0.00 0.00 34.50 31.39 1h3j s PRO 146 CO 0.18 -0.53 1.21 0.45 -0.33 0.00 0.00 177.00 177.98 1h3j s SER 147 N -0.11 5.59 0.76 2.53 0.15 -1.26 -4.86 113.70 116.50 1h3j s SER 147 Ca 0.53 2.40 -0.11 0.00 0.70 0.00 0.00 55.95 59.47 1h3j s SER 147 Cb -0.46 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.29 1h3j s SER 147 CO 0.62 -1.32 1.10 -2.84 1.20 0.00 0.00 173.24 172.00 1h3j s PRO 148 N -3.04 2.29 0.84 5.44 0.02 -1.26 -4.94 135.00 134.34 1h3j s PRO 148 Ca 0.71 1.24 -0.11 0.00 0.02 0.00 0.00 61.00 62.86 1h3j s PRO 148 Cb -0.31 -1.90 0.12 0.00 0.02 0.00 0.00 34.50 32.44 1h3j s PRO 148 CO 0.35 -1.63 1.18 -1.25 -0.33 0.00 0.00 177.00 175.33 1h3j s PRO 149 N -4.72 1.52 -1.50 5.54 0.04 -1.26 -4.38 135.00 130.24 1h3j s PRO 149 Ca 0.63 -0.24 -0.06 0.00 0.04 0.00 0.00 61.00 61.36 1h3j s PRO 149 Cb -0.18 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1h3j s PRO 149 CO 0.53 -1.80 0.74 0.43 0.04 0.00 0.00 177.00 176.94 1h3j n SER 150 N -3.36 -5.97 -0.05 6.66 7.64 -1.26 -4.90 113.62 112.38 1h3j n SER 150 Ca 0.11 -0.37 0.05 0.00 1.01 0.00 0.00 58.87 59.67 1h3j n SER 150 Cb 0.60 -4.79 -0.04 0.00 -1.01 0.00 0.00 64.21 58.97 1h3j n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1h3j n LEU 151 N -4.26 0.63 -4.66 -3.43 4.77 -1.26 -4.97 117.00 103.82 1h3j n LEU 151 Ca -0.07 -0.56 -0.37 0.00 -0.03 0.00 0.00 56.01 54.97 1h3j n LEU 151 Cb 0.60 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 1h3j n LEU 151 CO 0.53 0.14 -0.07 -0.63 -1.33 0.00 0.00 177.39 176.03 1h3j s ILE 152 N -1.78 5.30 0.37 -0.08 1.01 -1.26 -4.76 121.20 119.99 1h3j s ILE 152 Ca 0.05 0.38 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 1h3j s ILE 152 Cb 0.07 -3.59 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 1h3j s ILE 152 CO 0.36 0.31 1.45 -2.84 0.00 0.00 0.00 174.94 174.22 1h3j s PRO 153 N 1.18 4.16 0.27 2.79 0.02 -1.26 -5.01 135.00 137.15 1h3j s PRO 153 Ca 0.12 2.50 0.08 0.00 0.02 0.00 0.00 61.00 63.72 1h3j s PRO 153 Cb -0.14 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 1h3j s PRO 153 CO 0.06 -0.47 0.11 0.20 -0.33 0.00 0.00 177.00 176.57 1h3j s GLY 154 N -0.20 1.58 0.39 0.52 0.00 -1.26 -5.03 107.32 103.31 1h3j s GLY 154 Ca 0.52 -1.57 0.28 0.00 0.00 0.00 0.00 44.72 43.96 1h3j s GLY 154 CO 0.61 -1.60 1.84 -0.56 0.00 0.00 0.00 173.10 173.39 1h3j h PRO 155 N 1.65 0.00 -0.26 2.90 0.13 -1.97 -2.50 132.00 131.96 1h3j h PRO 155 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1h3j h PRO 155 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h3j h PRO 155 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1h3j n GLY 156 N -0.36 1.33 3.82 1.56 0.00 -1.26 -2.33 105.19 107.95 1h3j n GLY 156 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1h3j n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h3j s ASN 157 N -1.66 6.49 0.71 1.61 0.02 -0.94 -5.04 114.94 116.13 1h3j s ASN 157 Ca 0.35 1.71 -0.11 0.00 -1.02 0.00 0.00 52.86 53.80 1h3j s ASN 157 Cb 0.21 -2.53 0.02 0.00 0.02 0.00 0.00 41.25 38.97 1h3j s ASN 157 CO 0.31 -0.68 1.07 0.42 0.02 0.00 0.00 177.10 178.24 1h3j s THR 158 N -2.36 3.90 0.28 1.60 -4.23 -1.26 -4.77 115.64 108.79 1h3j s THR 158 Ca 0.62 0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 61.72 1h3j s THR 158 Cb -0.12 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.63 1h3j s THR 158 CO 0.26 -0.80 1.93 0.58 -0.54 0.00 0.00 174.62 176.04 1h3j h VAL 159 N -0.77 1.16 -0.38 2.29 2.07 -1.95 -0.79 116.25 117.89 1h3j h VAL 159 Ca -0.44 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1h3j h VAL 159 Cb 1.22 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1h3j h VAL 159 CO 0.57 0.21 0.23 0.74 0.02 0.00 0.00 177.57 179.34 1h3j h THR 160 N 1.17 1.05 -0.41 2.57 2.02 -1.99 -0.15 112.91 117.17 1h3j h THR 160 Ca 0.37 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.30 1h3j h THR 160 Cb 0.01 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1h3j h THR 160 CO -0.11 0.08 -0.10 0.00 0.37 0.00 0.00 175.52 175.76 1h3j h ALA 161 N 1.16 1.06 -0.49 6.16 0.00 -1.69 -0.97 119.26 124.50 1h3j h ALA 161 Ca 0.15 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1h3j h ALA 161 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1h3j h ALA 161 CO -0.06 0.58 -0.16 0.82 0.00 0.00 0.00 179.25 180.42 1h3j h ILE 162 N 0.65 1.27 -0.08 0.00 2.04 -0.69 -1.84 117.51 118.85 1h3j h ILE 162 Ca 0.12 -1.31 -0.15 0.00 1.00 0.00 0.00 64.86 64.51 1h3j h ILE 162 Cb 0.55 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1h3j h ILE 162 CO 0.03 0.46 -0.61 -0.07 0.00 0.00 0.00 178.15 177.96 1h3j h LEU 163 N 0.83 0.34 -0.33 1.44 3.38 -0.68 -1.27 115.31 119.01 1h3j h LEU 163 Ca 0.12 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1h3j h LEU 163 Cb 0.73 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1h3j h LEU 163 CO 0.06 0.86 -0.33 0.44 0.09 0.00 0.00 178.44 179.56 1h3j h ASP 164 N 0.22 0.86 0.20 -0.43 3.45 -1.07 0.29 116.42 119.94 1h3j h ASP 164 Ca -0.01 -0.47 -0.01 0.00 0.43 0.00 0.00 57.03 56.97 1h3j h ASP 164 Cb 1.13 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 1h3j h ASP 164 CO 0.10 1.15 -0.10 -0.09 -1.57 0.00 0.00 179.24 178.74 1h3j h ARG 165 N 0.59 -0.26 -0.60 3.56 9.65 -1.23 -0.51 114.38 125.57 1h3j h ARG 165 Ca 0.05 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1h3j h ARG 165 Cb 0.91 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.52 1h3j h ARG 165 CO 0.08 0.06 0.28 0.52 2.80 0.00 0.00 179.97 183.71 1h3j h MET 166 N -0.61 0.86 -0.72 0.20 2.86 -1.28 -1.88 114.93 114.36 1h3j h MET 166 Ca -0.03 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1h3j h MET 166 Cb 0.44 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1h3j h MET 166 CO 0.05 0.67 0.21 0.78 1.06 0.00 0.00 176.91 179.68 1h3j h GLY 167 N 0.95 1.20 0.99 8.32 0.00 -0.35 0.44 103.07 114.62 1h3j h GLY 167 Ca 0.21 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1h3j h GLY 167 CO -0.03 0.66 0.28 -1.80 0.00 0.00 0.00 176.54 175.65 1h3j h ASP 168 N 1.07 0.52 0.60 0.19 -0.00 -0.33 -1.72 116.42 116.74 1h3j h ASP 168 Ca 0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.22 1h3j h ASP 168 Cb 0.31 -0.13 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 1h3j h ASP 168 CO -0.01 0.40 0.00 0.00 -0.00 0.00 0.00 179.24 179.64 1h3j h ALA 169 N 1.14 1.00 0.00 -0.78 0.00 -0.92 -3.39 119.26 116.31 1h3j h ALA 169 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1h3j h ALA 169 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1h3j h ALA 169 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1h3j n GLY 170 N -0.41 1.19 3.86 0.00 0.00 -0.61 -5.00 105.19 104.23 1h3j n GLY 170 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1h3j n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3j s PHE 171 N -2.00 3.62 0.73 1.61 0.08 0.05 -4.96 117.98 117.11 1h3j s PHE 171 Ca 0.00 0.63 -0.11 0.00 0.12 0.00 0.00 56.93 57.57 1h3j s PHE 171 Cb 0.00 -2.04 0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1h3j s PHE 171 CO 0.00 0.69 1.10 -1.54 -0.10 0.00 0.00 175.22 175.38 1h3j s SER 172 N -0.97 5.13 0.38 1.36 1.04 -1.26 -3.22 113.70 116.16 1h3j s SER 172 Ca 0.17 0.95 0.07 0.00 0.48 0.00 0.00 55.95 57.62 1h3j s SER 172 Cb -0.13 -1.66 0.79 0.00 0.10 0.00 0.00 66.02 65.12 1h3j s SER 172 CO 0.06 -1.51 1.98 -0.65 0.98 0.00 0.00 173.24 174.10 1h3j h PRO 173 N -0.74 0.67 -0.73 4.02 0.11 -1.92 -1.37 132.00 132.03 1h3j h PRO 173 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1h3j h PRO 173 Cb 1.28 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1h3j h PRO 173 CO 0.64 0.44 0.41 -0.44 -0.21 0.00 0.00 178.00 178.85 1h3j h ASP 174 N 0.69 0.90 0.38 -2.05 3.32 -1.93 -2.51 116.42 115.22 1h3j h ASP 174 Ca 0.28 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1h3j h ASP 174 Cb 0.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1h3j h ASP 174 CO -0.09 0.73 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.48 1h3j h GLU 175 N 1.01 0.00 -0.28 3.56 5.08 -1.64 -0.99 114.58 121.31 1h3j h GLU 175 Ca 0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1h3j h GLU 175 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1h3j h GLU 175 CO -0.04 0.36 -0.00 0.28 -1.00 0.00 0.00 179.01 178.60 1h3j h VAL 176 N 0.00 1.26 -0.41 3.13 2.07 -0.93 -0.04 116.25 121.33 1h3j h VAL 176 Ca -0.00 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1h3j h VAL 176 Cb 0.64 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1h3j h VAL 176 CO 0.05 0.30 0.21 0.58 0.02 0.00 0.00 177.57 178.73 1h3j h VAL 177 N 0.27 1.16 -0.45 2.57 2.07 -1.21 -2.63 116.25 118.03 1h3j h VAL 177 Ca 0.08 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1h3j h VAL 177 Cb 0.43 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1h3j h VAL 177 CO 0.02 0.17 0.20 0.44 0.02 0.00 0.00 177.57 178.41 1h3j h ASP 178 N 0.52 0.26 0.06 0.57 3.32 -0.94 -2.32 116.42 117.91 1h3j h ASP 178 Ca 0.14 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1h3j h ASP 178 Cb 0.08 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1h3j h ASP 178 CO -0.02 0.19 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.57 1h3j h LEU 179 N 0.40 0.00 0.00 1.55 3.38 -0.78 -2.52 115.31 117.34 1h3j h LEU 179 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1h3j h LEU 179 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1h3j h LEU 179 CO -0.17 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.59 1h3j n LEU 180 N -4.22 0.00 0.32 1.67 4.77 -0.87 -3.01 117.00 115.66 1h3j n LEU 180 Ca -0.03 0.08 0.20 0.00 -0.03 0.00 0.00 56.01 56.24 1h3j n LEU 180 Cb 0.13 -0.08 1.08 0.00 -2.33 0.00 0.00 43.42 42.22 1h3j n LEU 180 CO 0.32 -0.02 1.14 0.00 -1.33 0.00 0.00 177.39 177.50 1h3j h ALA 181 N 3.34 1.12 0.00 -1.18 0.00 -1.53 -3.38 119.26 117.64 1h3j h ALA 181 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1h3j h ALA 181 Cb 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1h3j h ALA 181 CO 0.00 0.01 0.70 0.00 0.00 0.00 0.00 179.25 179.96 1h3j n ALA 182 N -2.14 1.20 -0.04 0.00 0.00 -1.16 -4.37 120.51 113.99 1h3j n ALA 182 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1h3j n ALA 182 Cb 0.11 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.20 1h3j n ALA 182 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1h3j n SER 184 N 3.71 0.00 -3.05 0.00 2.88 -1.26 -4.15 113.62 111.75 1h3j n SER 184 Ca 0.02 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.33 1h3j n SER 184 Cb 0.02 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 62.88 1h3j n SER 184 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1h3j n LEU 185 N 0.00 2.80 -3.87 2.46 4.77 -1.26 -4.23 117.00 117.67 1h3j n LEU 185 Ca 0.00 -5.37 -0.09 0.00 -0.03 0.00 0.00 56.01 50.52 1h3j n LEU 185 Cb 0.00 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1h3j n LEU 185 CO 0.00 2.32 -0.11 0.00 -1.33 0.00 0.00 177.39 178.28 1h3j s ALA 186 N -3.00 -0.22 0.30 -1.18 0.00 -1.26 -4.67 121.76 111.74 1h3j s ALA 186 Ca 0.45 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1h3j s ALA 186 Cb 0.31 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1h3j s ALA 186 CO -0.11 -0.47 0.39 -1.13 0.00 0.00 0.00 175.76 174.43 1h3j n SER 187 N 0.09 -1.07 -4.07 0.00 3.41 -1.26 -0.92 113.62 109.79 1h3j n SER 187 Ca -0.16 -2.67 -0.20 0.00 -0.26 0.00 0.00 58.87 55.59 1h3j n SER 187 Cb 0.62 2.05 -0.14 0.00 -0.26 0.00 0.00 64.21 66.48 1h3j n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h3j s GLN 188 N -2.77 0.89 -0.02 4.33 1.03 -1.08 -4.85 119.66 117.19 1h3j s GLN 188 Ca 0.26 -0.48 0.02 0.00 0.04 0.00 0.00 55.36 55.20 1h3j s GLN 188 Cb -0.00 -0.86 -0.03 0.00 0.03 0.00 0.00 33.01 32.15 1h3j s GLN 188 CO 0.19 0.23 0.01 0.39 -2.54 0.00 0.00 175.29 173.57 1h3j n GLU 189 N 2.56 3.57 0.00 9.60 1.02 -1.26 -0.56 120.64 135.57 1h3j n GLU 189 Ca -0.15 -0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1h3j n GLU 189 Cb 0.56 -1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 30.92 1h3j n GLU 189 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h3j n GLY 190 N 2.86 -0.08 0.08 0.62 0.00 -1.26 -4.05 105.19 103.36 1h3j n GLY 190 Ca -0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1h3j n GLY 190 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h3j h LEU 191 N 1.61 0.12 -6.18 0.99 3.38 -1.88 -3.42 115.31 109.92 1h3j h LEU 191 Ca 0.00 -0.15 -0.28 0.00 0.09 0.00 0.00 57.88 57.54 1h3j h LEU 191 Cb 0.52 -0.04 -0.27 0.00 0.09 0.00 0.00 40.66 40.96 1h3j h LEU 191 CO 0.00 1.12 -0.62 0.21 0.09 0.00 0.00 178.44 179.24 1h3j s ASN 192 N -6.67 0.28 0.42 -0.43 3.84 -1.26 -1.73 114.94 109.39 1h3j s ASN 192 Ca -0.03 -1.44 0.29 0.00 0.21 0.00 0.00 52.86 51.89 1h3j s ASN 192 Cb 0.09 0.99 1.45 0.00 -0.55 0.00 0.00 41.25 43.22 1h3j s ASN 192 CO 0.83 -0.22 1.88 0.77 -2.79 0.00 0.00 177.10 177.58 1h3j h SER 193 N 6.86 0.00 0.24 -4.21 4.64 -1.82 -2.23 113.55 117.03 1h3j h SER 193 Ca 0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1h3j h SER 193 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1h3j h SER 193 CO 0.17 0.00 -0.31 0.00 -0.87 0.00 0.00 176.83 175.82 1h3j h ALA 194 N 2.06 1.37 -2.10 5.18 0.00 -1.95 -2.95 119.26 120.88 1h3j h ALA 194 Ca 0.00 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 1h3j h ALA 194 Cb 0.16 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.47 1h3j h ALA 194 CO 0.00 0.45 -0.54 0.44 0.00 0.00 0.00 179.25 179.60 1h3j n ILE 195 N -4.14 3.16 -1.65 0.00 -5.35 -0.84 -4.95 119.36 105.59 1h3j n ILE 195 Ca -0.02 -5.50 -0.50 0.00 -0.27 0.00 0.00 62.75 56.47 1h3j n ILE 195 Cb 0.38 -1.39 -0.05 0.00 -1.74 0.00 0.00 39.64 36.84 1h3j n ILE 195 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1h3j n PHE 196 N -0.28 2.00 -1.85 4.28 -0.00 -1.12 -2.12 117.46 118.38 1h3j n PHE 196 Ca 0.33 0.38 -0.13 0.00 -0.00 0.00 0.00 57.45 58.03 1h3j n PHE 196 Cb 0.42 -2.48 -0.03 0.00 -0.00 0.00 0.00 39.48 37.39 1h3j n PHE 196 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1h3j n ARG 197 N 3.89 -1.00 -1.99 -4.13 1.74 0.28 -4.86 116.66 110.59 1h3j n ARG 197 Ca 0.20 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.65 1h3j n ARG 197 Cb 0.24 -4.96 -0.03 0.00 -1.02 0.00 0.00 32.46 26.69 1h3j n ARG 197 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1h3j s SER 198 N -2.61 6.65 0.68 0.55 1.04 -0.90 -0.91 113.70 118.20 1h3j s SER 198 Ca 0.00 2.45 -0.15 0.00 0.48 0.00 0.00 55.95 58.73 1h3j s SER 198 Cb 0.00 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.56 1h3j s SER 198 CO 0.00 -0.84 1.13 -2.84 0.98 0.00 0.00 173.24 171.68 1h3j s PRO 199 N 2.21 2.60 0.27 4.02 0.02 -1.25 -2.63 135.00 140.24 1h3j s PRO 199 Ca 0.71 1.47 0.21 0.00 0.02 0.00 0.00 61.00 63.41 1h3j s PRO 199 Cb -0.39 -1.92 0.10 0.00 0.02 0.00 0.00 34.50 32.31 1h3j s PRO 199 CO 0.31 -1.42 1.23 -0.07 -0.33 0.00 0.00 177.00 176.72 1h3j h LEU 200 N -0.12 0.00 -8.60 -5.54 3.38 -1.25 -1.60 115.31 101.57 1h3j h LEU 200 Ca -0.47 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.25 1h3j h LEU 200 Cb 1.26 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 1h3j h LEU 200 CO 0.53 0.10 -0.55 1.51 0.09 0.00 0.00 178.44 180.12 1h3j s ASP 201 N -5.76 0.35 0.00 -0.43 -4.77 -1.26 -4.80 116.67 100.00 1h3j s ASP 201 Ca 0.02 -1.40 0.19 0.00 -3.30 0.00 0.00 52.55 48.05 1h3j s ASP 201 Cb 0.08 0.43 0.85 0.00 -1.09 0.00 0.00 42.92 43.18 1h3j s ASP 201 CO 0.75 -0.90 1.60 -1.54 0.70 0.00 0.00 175.17 175.77 1h3j n SER 202 N -0.47 0.00 -3.38 2.11 3.41 -1.26 -4.00 113.62 110.02 1h3j n SER 202 Ca 0.02 0.36 -0.26 0.00 -0.26 0.00 0.00 58.87 58.73 1h3j n SER 202 Cb 0.65 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 1h3j n SER 202 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1h3j n THR 203 N -1.44 0.81 0.26 6.66 -2.24 -1.26 -4.95 114.28 112.13 1h3j n THR 203 Ca 0.06 -4.56 0.10 0.00 -2.27 0.00 0.00 64.05 57.38 1h3j n THR 203 Cb 0.20 -2.01 0.48 0.00 -2.10 0.00 0.00 70.33 66.90 1h3j n THR 203 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1h3j n PRO 204 N 1.36 0.14 -0.22 -0.78 -0.04 -1.26 -1.94 135.00 132.27 1h3j n PRO 204 Ca 0.26 0.52 0.08 0.00 -0.04 0.00 0.00 63.50 64.31 1h3j n PRO 204 Cb 0.46 -1.86 0.19 0.00 -0.04 0.00 0.00 33.50 32.25 1h3j n PRO 204 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1h3j n GLN 205 N -2.14 2.64 -4.44 0.54 6.02 -1.26 -4.28 117.38 114.47 1h3j n GLN 205 Ca 0.00 -2.17 -0.27 0.00 -0.01 0.00 0.00 57.00 54.56 1h3j n GLN 205 Cb 0.12 -1.36 -0.17 0.00 1.02 0.00 0.00 30.24 29.85 1h3j n GLN 205 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1h3j s VAL 206 N -1.03 1.33 -0.70 5.09 1.01 -0.82 -3.91 120.40 121.37 1h3j s VAL 206 Ca 0.30 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1h3j s VAL 206 Cb 0.16 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.36 1h3j s VAL 206 CO 0.21 0.41 1.10 0.12 0.00 0.00 0.00 175.10 176.94 1h3j s PHE 207 N 0.97 2.51 0.33 5.22 5.36 -0.28 -4.64 117.98 127.45 1h3j s PHE 207 Ca -0.08 -0.35 -0.02 0.00 -0.96 0.00 0.00 56.93 55.52 1h3j s PHE 207 Cb -0.15 -4.44 -0.00 0.00 -0.34 0.00 0.00 43.02 38.09 1h3j s PHE 207 CO -0.01 -1.83 0.45 0.16 -1.46 0.00 0.00 175.22 172.53 1h3j s ASP 208 N 3.72 0.92 0.00 6.13 1.47 -1.26 -4.39 116.67 123.26 1h3j s ASP 208 Ca 0.28 -1.48 0.28 0.00 1.18 0.00 0.00 52.55 52.80 1h3j s ASP 208 Cb -0.13 0.64 1.58 0.00 -0.34 0.00 0.00 42.92 44.67 1h3j s ASP 208 CO 0.12 -1.26 1.99 0.35 0.68 0.00 0.00 175.17 177.05 1h3j n THR 209 N -0.55 0.04 -0.33 2.11 -2.24 -1.26 -4.18 114.28 107.88 1h3j n THR 209 Ca 0.01 0.01 0.18 0.00 -2.27 0.00 0.00 64.05 61.98 1h3j n THR 209 Cb 0.62 -0.57 0.42 0.00 -2.10 0.00 0.00 70.33 68.70 1h3j n THR 209 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1h3j h GLN 210 N 0.00 0.55 -0.19 -0.78 1.08 -1.92 -2.10 115.11 111.74 1h3j h GLN 210 Ca 0.00 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1h3j h GLN 210 Cb 0.08 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 1h3j h GLN 210 CO 0.00 0.36 -0.11 0.35 -0.95 0.00 0.00 178.83 178.49 1h3j h PHE 211 N 0.56 -0.26 -0.78 2.96 3.57 -1.90 0.12 116.94 121.23 1h3j h PHE 211 Ca 0.58 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 62.07 1h3j h PHE 211 Cb 1.19 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 1h3j h PHE 211 CO -0.00 -0.16 0.35 1.88 -2.23 0.00 0.00 178.31 178.15 1h3j h TYR 212 N -0.09 1.15 0.20 0.41 0.05 -1.70 -1.88 116.97 115.10 1h3j h TYR 212 Ca 0.11 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1h3j h TYR 212 Cb 0.25 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1h3j h TYR 212 CO -0.26 0.85 -0.09 0.82 -1.05 0.00 0.00 178.16 178.43 1h3j h ILE 213 N 1.11 0.87 -0.16 -2.88 2.04 -1.25 -3.28 117.51 113.97 1h3j h ILE 213 Ca 0.27 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1h3j h ILE 213 Cb 0.15 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1h3j h ILE 213 CO -0.03 0.19 -0.04 -0.33 0.00 0.00 0.00 178.15 177.94 1h3j h GLU 214 N -0.75 0.23 0.00 2.37 5.08 -0.74 -1.89 114.58 118.88 1h3j h GLU 214 Ca -0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1h3j h GLU 214 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1h3j h GLU 214 CO 0.04 0.29 0.00 1.79 -1.00 0.00 0.00 179.01 180.13 1h3j h THR 215 N 0.23 0.00 0.00 1.13 1.35 -1.45 -3.10 112.91 111.06 1h3j h THR 215 Ca 0.05 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1h3j h THR 215 Cb 0.22 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1h3j h THR 215 CO 0.01 0.00 -0.47 0.18 -0.25 0.00 0.00 175.52 174.99 1h3j n LEU 216 N -2.44 0.48 -4.80 3.87 4.77 -0.71 -4.83 117.00 113.33 1h3j n LEU 216 Ca 0.03 0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 1h3j n LEU 216 Cb 0.33 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1h3j n LEU 216 CO 0.25 0.08 0.72 -0.76 -1.33 0.00 0.00 177.39 176.35 1h3j s LEU 217 N -3.22 3.53 0.30 2.23 1.43 -1.17 -0.69 118.68 121.09 1h3j s LEU 217 Ca 0.10 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.73 1h3j s LEU 217 Cb 0.17 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.74 1h3j s LEU 217 CO 0.68 -1.13 1.58 0.29 0.23 0.00 0.00 176.35 178.01 1h3j n LYS 218 N -1.93 2.69 -2.60 1.70 5.02 0.15 -4.80 118.16 118.39 1h3j n LYS 218 Ca 0.09 0.96 -0.43 0.00 -2.02 0.00 0.00 58.31 56.91 1h3j n LYS 218 Cb 0.53 -2.73 -0.02 0.00 -0.02 0.00 0.00 35.03 32.78 1h3j n LYS 218 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h3j s GLY 219 N 0.43 2.00 0.00 0.72 0.00 -1.26 -4.36 107.32 104.84 1h3j s GLY 219 Ca 0.63 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1h3j s GLY 219 CO 0.50 2.14 0.00 -1.30 0.00 0.00 0.00 173.10 174.44 1h3j n THR 220 N 4.92 0.00 -4.83 0.90 -2.24 0.30 -4.85 114.28 108.49 1h3j n THR 220 Ca 0.11 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 1h3j n THR 220 Cb 0.47 0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 69.21 1h3j n THR 220 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1h3j s THR 221 N -0.61 2.16 -0.41 4.28 2.01 0.23 -4.94 115.64 118.36 1h3j s THR 221 Ca 0.00 -1.45 -0.05 0.00 0.31 0.00 0.00 61.69 60.50 1h3j s THR 221 Cb 0.00 -1.86 0.10 0.00 0.01 0.00 0.00 72.50 70.75 1h3j s THR 221 CO 0.00 0.33 0.23 -1.58 -0.69 0.00 0.00 174.62 172.90 1h3j s GLN 222 N -1.36 2.21 0.51 4.92 0.74 -1.26 -0.49 119.66 124.92 1h3j s GLN 222 Ca 0.12 -1.72 0.25 0.00 0.05 0.00 0.00 55.36 54.06 1h3j s GLN 222 Cb -0.10 -3.65 1.38 0.00 1.10 0.00 0.00 33.01 31.74 1h3j s GLN 222 CO 0.03 -1.05 2.07 -1.00 -0.55 0.00 0.00 175.29 174.79 1h3j h PRO 223 N 8.18 0.00 0.00 1.67 0.13 -1.87 -3.45 132.00 136.65 1h3j h PRO 223 Ca -0.17 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.40 1h3j h PRO 223 Cb 1.06 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 1h3j h PRO 223 CO 0.73 0.12 -0.31 0.41 -0.23 0.00 0.00 178.00 178.72 1h3j n GLY 224 N -0.82 3.00 0.28 1.56 0.00 -1.26 -4.65 105.19 103.30 1h3j n GLY 224 Ca -0.02 -2.31 0.06 0.00 0.00 0.00 0.00 46.02 43.75 1h3j n GLY 224 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1h3j h PRO 225 N 0.00 0.21 -3.85 1.61 0.11 -1.93 -3.44 132.00 124.72 1h3j h PRO 225 Ca -0.35 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.58 1h3j h PRO 225 Cb 1.20 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1h3j h PRO 225 CO 0.55 0.15 -0.12 -1.54 -0.21 0.00 0.00 178.00 176.83 1h3j s SER 226 N -6.92 0.46 -0.13 -2.05 1.04 -1.26 -5.14 113.70 99.70 1h3j s SER 226 Ca -0.06 -1.27 -0.18 0.00 0.48 0.00 0.00 55.95 54.92 1h3j s SER 226 Cb 0.17 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 1h3j s SER 226 CO 0.70 -1.29 0.48 -0.76 0.98 0.00 0.00 173.24 173.35 1h3j s LEU 227 N -3.15 4.26 0.00 2.42 1.43 -1.26 -4.94 118.68 117.44 1h3j s LEU 227 Ca 0.26 0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1h3j s LEU 227 Cb -0.01 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.53 1h3j s LEU 227 CO 0.15 -0.02 0.06 0.61 0.23 0.00 0.00 176.35 177.38 1h3j n GLY 228 N 3.35 -0.28 3.71 -3.19 0.00 -1.26 -4.97 105.19 102.56 1h3j n GLY 228 Ca -0.07 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1h3j n GLY 228 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h3j s PHE 229 N -0.59 3.10 -1.40 1.61 5.36 -0.71 -2.70 117.98 122.65 1h3j s PHE 229 Ca 0.04 0.74 -0.04 0.00 -0.96 0.00 0.00 56.93 56.71 1h3j s PHE 229 Cb -0.00 -3.83 0.02 0.00 -0.34 0.00 0.00 43.02 38.87 1h3j s PHE 229 CO 0.02 -3.01 0.34 0.00 -1.46 0.00 0.00 175.22 171.12 1h3j n ALA 230 N 4.07 -0.90 -2.76 11.12 0.00 -1.26 -4.84 120.51 125.94 1h3j n ALA 230 Ca 0.13 0.17 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 1h3j n ALA 230 Cb 0.40 -2.77 -0.08 0.00 0.00 0.00 0.00 19.45 17.00 1h3j n ALA 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1h3j s GLU 231 N -5.53 4.07 0.38 0.00 2.12 -1.10 -0.70 118.70 117.94 1h3j s GLU 231 Ca 0.21 -0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.38 1h3j s GLU 231 Cb -0.10 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1h3j s GLU 231 CO 0.26 0.34 0.25 -1.21 -0.54 0.00 0.00 175.26 174.35 1h3j s GLU 232 N 0.24 2.43 0.35 4.30 0.41 -0.37 -4.79 118.70 121.26 1h3j s GLU 232 Ca 0.07 -1.59 -0.28 0.00 -0.41 0.00 0.00 54.97 52.77 1h3j s GLU 232 Cb -0.11 -2.23 -0.09 0.00 -1.78 0.00 0.00 34.13 29.92 1h3j s GLU 232 CO -0.01 -0.05 1.24 -0.51 -0.49 0.00 0.00 175.26 175.43 1h3j s LEU 233 N -3.97 4.36 0.00 1.80 1.43 -1.26 -4.26 118.68 116.78 1h3j s LEU 233 Ca 0.42 2.53 0.07 0.00 -1.03 0.00 0.00 54.13 56.12 1h3j s LEU 233 Cb -0.01 -3.77 0.07 0.00 0.03 0.00 0.00 46.19 42.50 1h3j s LEU 233 CO 0.25 -0.54 0.57 -1.54 0.23 0.00 0.00 176.35 175.31 1h3j n SER 234 N 0.59 2.15 -0.00 2.29 3.41 0.35 -4.47 113.62 117.95 1h3j n SER 234 Ca 0.01 -2.49 0.12 0.00 -0.26 0.00 0.00 58.87 56.26 1h3j n SER 234 Cb 0.44 -0.24 0.24 0.00 -0.26 0.00 0.00 64.21 64.40 1h3j n SER 234 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1h3j n PRO 235 N -1.92 0.00 -3.46 4.33 -0.04 -1.26 -0.53 135.00 132.12 1h3j n PRO 235 Ca 0.08 -0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1h3j n PRO 235 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1h3j n PRO 235 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1h3j s PHE 236 N -3.00 -0.46 0.49 0.54 -0.71 -1.26 -4.76 117.98 108.82 1h3j s PHE 236 Ca 0.11 0.31 -0.22 0.00 -1.04 0.00 0.00 56.93 56.09 1h3j s PHE 236 Cb 0.17 0.55 -0.09 0.00 -1.21 0.00 0.00 43.02 42.44 1h3j s PHE 236 CO 0.70 -0.71 0.96 -2.30 -1.34 0.00 0.00 175.22 172.53 1h3j n PRO 237 N -0.27 1.16 0.00 1.99 -0.02 -1.25 -2.55 135.00 134.05 1h3j n PRO 237 Ca -0.13 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1h3j n PRO 237 Cb 0.63 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1h3j n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3j n GLY 238 N 1.26 2.86 3.75 -1.23 0.00 -1.26 -1.63 105.19 108.93 1h3j n GLY 238 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1h3j n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h3j s GLU 239 N -0.09 4.32 -0.10 1.61 2.12 -1.06 -3.75 118.70 121.75 1h3j s GLU 239 Ca 0.00 0.65 -0.05 0.00 0.36 0.00 0.00 54.97 55.93 1h3j s GLU 239 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1h3j s GLU 239 CO 0.00 0.27 0.10 0.12 -0.54 0.00 0.00 175.26 175.21 1h3j s PHE 240 N 0.19 3.47 -0.14 5.30 2.19 -0.60 -4.63 117.98 123.75 1h3j s PHE 240 Ca 0.30 0.42 0.01 0.00 0.33 0.00 0.00 56.93 57.99 1h3j s PHE 240 Cb -0.17 -1.88 0.02 0.00 -1.31 0.00 0.00 43.02 39.67 1h3j s PHE 240 CO 0.15 0.66 -0.16 0.50 1.83 0.00 0.00 175.22 178.20 1h3j s ARG 241 N -1.08 2.41 0.12 10.12 3.52 -1.26 -4.46 118.95 128.33 1h3j s ARG 241 Ca 0.16 -0.61 -0.10 0.00 -0.13 0.00 0.00 55.73 55.04 1h3j s ARG 241 Cb -0.12 -2.12 -0.06 0.00 -1.56 0.00 0.00 34.95 31.09 1h3j s ARG 241 CO 0.05 -0.17 0.44 0.00 -0.81 0.00 0.00 175.30 174.82 1h3j s MET 242 N 1.27 3.79 0.21 5.12 0.23 -1.26 -1.24 119.30 127.42 1h3j s MET 242 Ca 0.01 0.22 -0.09 0.00 -1.03 0.00 0.00 55.69 54.79 1h3j s MET 242 Cb -0.14 -2.92 0.29 0.00 -1.53 0.00 0.00 34.83 30.54 1h3j s MET 242 CO -0.08 0.50 1.75 -0.09 -2.03 0.00 0.00 175.02 175.08 1h3j h ARG 243 N 3.42 0.44 -0.63 3.16 2.43 -1.10 -1.71 114.38 120.39 1h3j h ARG 243 Ca -0.48 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 1h3j h ARG 243 Cb 1.19 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1h3j h ARG 243 CO 0.67 0.29 0.29 0.66 -1.51 0.00 0.00 179.97 180.38 1h3j h SER 244 N 0.45 0.84 -0.47 -3.80 4.64 -1.75 -0.61 113.55 112.85 1h3j h SER 244 Ca 0.32 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1h3j h SER 244 Cb 0.38 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1h3j h SER 244 CO -0.30 0.75 0.20 0.44 -0.87 0.00 0.00 176.83 177.05 1h3j h ASP 245 N 0.88 0.64 -0.66 4.97 3.45 -1.83 0.13 116.42 124.00 1h3j h ASP 245 Ca 0.22 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 1h3j h ASP 245 Cb 0.14 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 1h3j h ASP 245 CO -0.02 0.62 0.27 0.00 -1.57 0.00 0.00 179.24 178.54 1h3j h ALA 246 N 1.04 1.20 -0.06 3.45 0.00 -1.00 -0.99 119.26 122.91 1h3j h ALA 246 Ca 0.16 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1h3j h ALA 246 Cb 0.17 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1h3j h ALA 246 CO -0.01 0.58 -0.85 -0.07 0.00 0.00 0.00 179.25 178.90 1h3j h LEU 247 N 0.98 0.84 -1.25 0.00 3.38 -0.80 -3.10 115.31 115.36 1h3j h LEU 247 Ca 0.23 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1h3j h LEU 247 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1h3j h LEU 247 CO -0.02 1.42 0.15 -0.07 0.09 0.00 0.00 178.44 180.01 1h3j h LEU 248 N 0.34 0.61 -1.33 1.67 3.38 -0.51 0.13 115.31 119.60 1h3j h LEU 248 Ca -0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1h3j h LEU 248 Cb 1.50 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1h3j h LEU 248 CO 0.17 0.58 0.27 0.00 0.09 0.00 0.00 178.44 179.55 1h3j h ALA 249 N 1.51 1.49 0.00 1.53 0.00 -1.17 -3.29 119.26 119.33 1h3j h ALA 249 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h3j h ALA 249 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h3j h ALA 249 CO -0.01 0.42 -1.53 0.54 0.00 0.00 0.00 179.25 178.67 1h3j n ARG 250 N -4.39 0.43 -2.03 0.00 1.74 -0.83 -4.36 116.66 107.23 1h3j n ARG 250 Ca 0.04 -0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 1h3j n ARG 250 Cb 0.11 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1h3j n ARG 250 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1h3j s ASP 251 N -3.78 6.68 0.58 0.55 -1.08 0.39 -4.78 116.67 115.22 1h3j s ASP 251 Ca -0.01 2.60 0.28 0.00 -0.52 0.00 0.00 52.55 54.91 1h3j s ASP 251 Cb 0.15 -2.61 1.57 0.00 -1.46 0.00 0.00 42.92 40.57 1h3j s ASP 251 CO 0.87 -0.70 2.05 0.77 0.52 0.00 0.00 175.17 178.67 1h3j h SER 252 N 5.53 0.00 1.13 -0.34 4.64 -1.91 0.17 113.55 122.78 1h3j h SER 252 Ca -0.45 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.77 1h3j h SER 252 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1h3j h SER 252 CO 0.81 0.00 -0.48 0.03 -0.87 0.00 0.00 176.83 176.32 1h3j h ARG 253 N 0.00 0.00 0.00 4.77 3.08 -1.94 -3.37 114.38 116.92 1h3j h ARG 253 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1h3j h ARG 253 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1h3j h ARG 253 CO -0.00 0.48 0.00 0.25 -1.07 0.00 0.00 179.97 179.63 1h3j n THR 254 N -3.38 0.00 -0.38 2.04 -2.24 -0.38 -4.85 114.28 105.09 1h3j n THR 254 Ca 0.01 -0.47 -0.02 0.00 -2.27 0.00 0.00 64.05 61.29 1h3j n THR 254 Cb 0.64 1.00 0.11 0.00 -2.10 0.00 0.00 70.33 69.98 1h3j n THR 254 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h3j h ALA 255 N 0.00 1.27 -0.48 6.98 0.00 -0.87 -1.69 119.26 124.48 1h3j h ALA 255 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1h3j h ALA 255 Cb 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1h3j h ALA 255 CO 0.00 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.71 1h3j h ARG 257 N 0.84 0.46 -0.71 0.00 9.65 -1.85 -0.95 114.38 121.82 1h3j h ARG 257 Ca 0.11 -0.13 0.07 0.00 -1.10 0.00 0.00 59.98 58.93 1h3j h ARG 257 Cb 0.78 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.25 1h3j h ARG 257 CO 0.06 0.59 0.40 2.35 2.80 0.00 0.00 179.97 186.18 1h3j h TRP 258 N 0.27 0.74 -0.54 2.20 2.91 -1.18 -2.41 115.95 117.93 1h3j h TRP 258 Ca 0.08 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.05 1h3j h TRP 258 Cb 0.36 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 1h3j h TRP 258 CO 0.03 0.34 0.03 0.37 -1.03 0.00 0.00 178.44 178.18 1h3j h GLN 259 N 0.73 0.94 0.00 2.65 4.15 -0.97 -2.55 115.11 120.05 1h3j h GLN 259 Ca 0.32 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1h3j h GLN 259 Cb 0.22 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1h3j h GLN 259 CO -0.19 0.94 0.00 -1.13 -1.93 0.00 0.00 178.83 176.51 1h3j n SER 260 N -4.30 0.14 -0.36 -0.69 3.41 -0.38 -1.95 113.62 109.50 1h3j n SER 260 Ca 0.02 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 1h3j n SER 260 Cb 0.31 -0.57 0.52 0.00 -0.26 0.00 0.00 64.21 64.21 1h3j n SER 260 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1h3j n MET 261 N -1.66 1.33 0.08 4.33 2.81 -0.96 -4.30 117.12 118.75 1h3j n MET 261 Ca 0.03 -0.73 -0.14 0.00 -1.81 0.00 0.00 57.70 55.05 1h3j n MET 261 Cb 0.16 -1.48 -0.14 0.00 -0.71 0.00 0.00 33.22 31.05 1h3j n MET 261 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1h3j h THR 262 N 1.77 1.41 0.00 2.03 1.35 -1.48 -3.39 112.91 114.61 1h3j h THR 262 Ca 0.00 -3.05 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 1h3j h THR 262 Cb 0.46 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1h3j h THR 262 CO 0.00 0.87 -0.69 0.77 -0.25 0.00 0.00 175.52 176.21 1h3j h SER 263 N 0.05 0.00 -3.23 5.36 4.64 -1.78 -3.45 113.55 115.14 1h3j h SER 263 Ca -0.15 -0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 60.72 1h3j h SER 263 Cb 1.94 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.64 1h3j h SER 263 CO 0.17 0.01 -0.76 -0.55 -0.87 0.00 0.00 176.83 174.83 1h3j s SER 264 N -5.53 1.96 0.44 4.97 0.15 -1.26 -4.81 113.70 109.61 1h3j s SER 264 Ca 0.02 -0.33 0.11 0.00 0.70 0.00 0.00 55.95 56.46 1h3j s SER 264 Cb 0.08 -0.38 0.97 0.00 -1.71 0.00 0.00 66.02 64.99 1h3j s SER 264 CO 0.75 -0.26 2.03 0.78 1.20 0.00 0.00 173.24 177.74 1h3j h ASN 265 N 8.35 0.20 0.06 5.45 2.35 -1.89 -2.16 115.58 127.94 1h3j h ASN 265 Ca -0.16 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1h3j h ASN 265 Cb 1.13 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1h3j h ASN 265 CO 0.26 0.24 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.17 1h3j h GLU 266 N 0.22 -0.07 -0.55 0.81 4.81 -1.95 -0.53 114.58 117.32 1h3j h GLU 266 Ca 0.05 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1h3j h GLU 266 Cb 0.14 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1h3j h GLU 266 CO 0.00 0.25 0.12 0.28 -0.73 0.00 0.00 179.01 178.93 1h3j h VAL 267 N -0.40 1.23 -0.06 0.32 2.07 -1.95 -1.24 116.25 116.22 1h3j h VAL 267 Ca -0.01 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1h3j h VAL 267 Cb 0.36 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1h3j h VAL 267 CO 0.01 0.31 0.02 -0.03 0.02 0.00 0.00 177.57 177.91 1h3j h MET 268 N 0.81 0.08 -0.68 1.57 1.85 -1.32 -2.22 114.93 115.02 1h3j h MET 268 Ca 0.18 -0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.30 1h3j h MET 268 Cb 0.31 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.27 1h3j h MET 268 CO -0.00 0.20 0.40 0.78 -0.40 0.00 0.00 176.91 177.89 1h3j h GLY 269 N -0.06 1.00 0.76 1.39 0.00 -0.82 -0.18 103.07 105.17 1h3j h GLY 269 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1h3j h GLY 269 CO -0.00 0.20 -0.16 1.46 0.00 0.00 0.00 176.54 178.04 1h3j h GLN 270 N 0.75 -0.32 -0.74 4.80 4.20 -1.12 -1.69 115.11 120.99 1h3j h GLN 270 Ca 0.30 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 1h3j h GLN 270 Cb 0.14 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1h3j h GLN 270 CO -0.16 -0.21 0.34 0.00 -0.67 0.00 0.00 178.83 178.13 1h3j h ARG 271 N -0.33 1.08 -0.56 1.46 3.08 -1.05 -2.60 114.38 115.45 1h3j h ARG 271 Ca 0.01 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1h3j h ARG 271 Cb 0.33 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1h3j h ARG 271 CO -0.07 0.85 0.22 -0.92 -1.07 0.00 0.00 179.97 178.99 1h3j h TYR 272 N 1.04 0.85 -0.76 3.04 5.03 -0.92 -2.20 116.97 123.05 1h3j h TYR 272 Ca 0.25 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.50 1h3j h TYR 272 Cb 0.15 -0.26 -0.04 0.00 1.55 0.00 0.00 36.73 38.13 1h3j h TYR 272 CO 0.01 0.70 0.50 -0.09 -1.32 0.00 0.00 178.16 177.96 1h3j h ARG 273 N 0.77 1.01 -0.37 1.82 2.43 -1.14 0.02 114.38 118.91 1h3j h ARG 273 Ca 0.19 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1h3j h ARG 273 Cb 0.20 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1h3j h ARG 273 CO -0.01 0.67 0.05 0.00 -1.51 0.00 0.00 179.97 179.17 1h3j h ALA 274 N 1.28 0.49 -0.40 2.80 0.00 -1.26 -1.23 119.26 120.94 1h3j h ALA 274 Ca 0.28 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1h3j h ALA 274 Cb -0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1h3j h ALA 274 CO -0.06 0.21 -0.24 0.00 0.00 0.00 0.00 179.25 179.15 1h3j h ALA 275 N 0.91 0.82 -0.68 0.00 0.00 -1.23 -2.26 119.26 116.82 1h3j h ALA 275 Ca 0.11 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1h3j h ALA 275 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1h3j h ALA 275 CO 0.01 0.64 0.16 0.52 0.00 0.00 0.00 179.25 180.58 1h3j h MET 276 N 0.70 1.09 -0.91 0.00 2.07 -0.86 -0.44 114.93 116.57 1h3j h MET 276 Ca 0.09 -0.26 -0.00 0.00 -2.07 0.00 0.00 59.70 57.46 1h3j h MET 276 Cb 0.77 -0.14 -0.04 0.00 -1.87 0.00 0.00 31.60 30.32 1h3j h MET 276 CO 0.06 0.97 0.56 0.00 1.07 0.00 0.00 176.91 179.57 1h3j h ALA 277 N 1.13 1.27 -0.31 6.32 0.00 -0.96 0.13 119.26 126.85 1h3j h ALA 277 Ca 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1h3j h ALA 277 Cb 0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h3j h ALA 277 CO 0.00 0.64 -0.02 -0.22 0.00 0.00 0.00 179.25 179.65 1h3j h LYS 278 N 1.26 0.55 -0.08 0.00 3.64 -1.01 -2.98 116.57 117.95 1h3j h LYS 278 Ca 0.33 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1h3j h LYS 278 Cb -0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1h3j h LYS 278 CO -0.06 0.71 -0.34 1.98 -2.27 0.00 0.00 179.45 179.46 1h3j h MET 279 N 0.34 0.16 0.00 1.90 4.05 -0.58 -3.03 114.93 117.78 1h3j h MET 279 Ca 0.08 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1h3j h MET 279 Cb 0.47 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1h3j h MET 279 CO 0.02 0.49 -0.02 0.66 0.23 0.00 0.00 176.91 178.30 1h3j h SER 280 N 0.14 0.00 -0.07 1.39 4.64 -0.58 -2.82 113.55 116.24 1h3j h SER 280 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1h3j h SER 280 Cb 0.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1h3j h SER 280 CO 0.05 0.02 -0.20 1.33 -0.87 0.00 0.00 176.83 177.16 1h3j n VAL 281 N -3.27 2.14 -2.12 0.95 0.24 -1.14 -4.77 118.33 110.36 1h3j n VAL 281 Ca -0.02 -2.66 -0.42 0.00 -2.04 0.00 0.00 64.34 59.20 1h3j n VAL 281 Cb 0.13 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.22 1h3j n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1h3j s LEU 282 N -3.06 4.35 0.00 1.34 1.43 -1.07 -1.43 118.68 120.25 1h3j s LEU 282 Ca 0.37 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1h3j s LEU 282 Cb 0.34 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1h3j s LEU 282 CO -0.01 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1h3j n GLY 283 N 3.70 0.75 3.18 -3.19 0.00 -1.26 -0.99 105.19 107.38 1h3j n GLY 283 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1h3j n GLY 283 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3j s PHE 284 N -2.25 1.02 -0.36 1.61 0.08 -0.51 -4.91 117.98 112.66 1h3j s PHE 284 Ca 0.00 -1.24 -0.09 0.00 0.12 0.00 0.00 56.93 55.72 1h3j s PHE 284 Cb 0.00 -0.55 0.04 0.00 -0.57 0.00 0.00 43.02 41.93 1h3j s PHE 284 CO 0.00 -0.50 0.16 0.34 -0.10 0.00 0.00 175.22 175.12 1h3j s ASP 285 N -3.11 5.54 0.59 1.36 3.68 -1.26 -4.96 116.67 118.51 1h3j s ASP 285 Ca 0.29 -1.09 0.32 0.00 2.13 0.00 0.00 52.55 54.20 1h3j s ASP 285 Cb 0.07 -1.95 1.87 0.00 -1.45 0.00 0.00 42.92 41.47 1h3j s ASP 285 CO 0.05 -0.37 2.25 0.08 0.13 0.00 0.00 175.17 177.32 1h3j h ARG 286 N 8.33 0.00 0.00 4.34 0.11 -1.96 0.04 114.38 125.24 1h3j h ARG 286 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1h3j h ARG 286 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1h3j h ARG 286 CO 0.64 0.02 0.00 0.09 0.10 0.00 0.00 179.97 180.82 1h3j n ASN 287 N -3.68 0.67 0.02 0.08 3.02 -1.26 -1.86 115.26 112.25 1h3j n ASN 287 Ca -0.03 0.68 0.12 0.00 -0.03 0.00 0.00 54.58 55.32 1h3j n ASN 287 Cb 0.10 -0.81 0.21 0.00 -0.61 0.00 0.00 39.78 38.67 1h3j n ASN 287 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h3j n ALA 288 N -1.78 3.38 -2.56 5.41 0.00 -0.00 -4.93 120.51 120.03 1h3j n ALA 288 Ca 0.02 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1h3j n ALA 288 Cb 0.21 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 1h3j n ALA 288 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h3j s LEU 289 N -3.38 3.96 -0.12 0.00 1.43 -0.78 -4.97 118.68 114.81 1h3j s LEU 289 Ca 0.09 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1h3j s LEU 289 Cb 0.16 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1h3j s LEU 289 CO 0.71 -0.41 -0.08 -0.89 0.23 0.00 0.00 176.35 175.92 1h3j s THR 290 N -2.28 3.58 -0.37 5.49 2.01 -0.32 -4.90 115.64 118.86 1h3j s THR 290 Ca 0.43 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 1h3j s THR 290 Cb -0.10 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.92 1h3j s THR 290 CO 0.34 0.54 1.14 -0.62 -0.69 0.00 0.00 174.62 175.33 1h3j s ASP 291 N -0.01 6.77 -0.23 3.53 3.68 -1.26 -0.42 116.67 128.73 1h3j s ASP 291 Ca -0.01 0.88 0.10 0.00 2.13 0.00 0.00 52.55 55.65 1h3j s ASP 291 Cb -0.14 -2.54 0.43 0.00 -1.45 0.00 0.00 42.92 39.22 1h3j s ASP 291 CO 0.03 -1.05 1.21 0.00 0.13 0.00 0.00 175.17 175.49 1h3j h SER 293 N 1.24 0.00 0.58 0.00 0.02 -1.82 -1.85 113.55 111.72 1h3j h SER 293 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1h3j h SER 293 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1h3j h SER 293 CO 0.15 0.00 0.00 -2.24 -1.14 0.00 0.00 176.83 173.60 1h3j h ASP 294 N 0.00 0.00 1.73 3.07 3.04 -1.89 -2.21 116.42 120.16 1h3j h ASP 294 Ca 0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 1h3j h ASP 294 Cb 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 1h3j h ASP 294 CO -0.00 0.00 0.00 0.58 -2.04 0.00 0.00 179.24 177.78 1h3j h VAL 295 N 0.00 0.00 -3.15 4.15 2.07 -1.73 -3.45 116.25 114.14 1h3j h VAL 295 Ca 0.00 -0.82 -0.55 0.00 0.82 0.00 0.00 66.70 66.14 1h3j h VAL 295 Cb 0.29 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1h3j h VAL 295 CO 0.00 0.00 0.64 -0.63 0.02 0.00 0.00 177.57 177.60 1h3j s ILE 296 N -3.27 4.40 0.88 4.57 -1.09 -0.83 -5.03 121.20 120.83 1h3j s ILE 296 Ca 0.07 1.71 -0.11 0.00 -2.23 0.00 0.00 60.65 60.08 1h3j s ILE 296 Cb 0.07 -4.10 0.12 0.00 -1.58 0.00 0.00 42.46 36.97 1h3j s ILE 296 CO 0.63 0.02 1.09 -2.84 -1.23 0.00 0.00 174.94 172.61 1h3j s PRO 297 N 2.02 1.37 0.08 2.79 0.02 -1.26 -5.05 135.00 134.98 1h3j s PRO 297 Ca 0.54 0.92 -0.03 0.00 0.02 0.00 0.00 61.00 62.44 1h3j s PRO 297 Cb -0.23 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1h3j s PRO 297 CO 0.22 -2.19 0.29 -1.12 -0.33 0.00 0.00 177.00 173.87 1h3j s SER 298 N -3.36 6.44 0.44 2.53 0.01 -1.26 -4.79 113.70 113.72 1h3j s SER 298 Ca 0.63 0.47 -0.04 0.00 1.31 0.00 0.00 55.95 58.32 1h3j s SER 298 Cb -0.18 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1h3j s SER 298 CO 0.57 0.14 0.72 0.00 0.41 0.00 0.00 173.24 175.08 1h3j s ALA 299 N -1.52 3.48 0.49 1.44 0.00 -1.25 -4.90 121.76 119.51 1h3j s ALA 299 Ca 0.36 -0.59 -0.20 0.00 0.00 0.00 0.00 51.96 51.52 1h3j s ALA 299 Cb -0.13 -2.47 -0.08 0.00 0.00 0.00 0.00 23.12 20.45 1h3j s ALA 299 CO 0.24 -0.23 1.05 0.14 0.00 0.00 0.00 175.76 176.96 1h3j s VAL 300 N -2.59 3.69 0.55 0.00 -7.23 -1.26 -4.82 120.40 108.73 1h3j s VAL 300 Ca 0.46 1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 61.49 1h3j s VAL 300 Cb -0.10 -3.43 -0.05 0.00 0.56 0.00 0.00 36.38 33.36 1h3j s VAL 300 CO 0.41 -0.22 1.15 -0.44 -0.31 0.00 0.00 175.10 175.69 1h3j s SER 301 N -1.94 5.63 -0.27 4.85 0.01 -1.26 -1.19 113.70 119.53 1h3j s SER 301 Ca 0.68 2.24 -0.05 0.00 1.31 0.00 0.00 55.95 60.13 1h3j s SER 301 Cb -0.18 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.48 1h3j s SER 301 CO 0.21 -1.29 0.02 0.21 0.41 0.00 0.00 173.24 172.80 1h3j s ASN 302 N -1.70 4.74 0.00 2.44 3.04 -1.26 -4.59 114.94 117.61 1h3j s ASN 302 Ca 0.73 -0.69 0.23 0.00 0.04 0.00 0.00 52.86 53.17 1h3j s ASN 302 Cb -0.26 -1.79 0.13 0.00 -1.54 0.00 0.00 41.25 37.79 1h3j s ASN 302 CO 0.29 -0.14 1.18 0.59 -3.04 0.00 0.00 177.10 175.98 1h3j n ASN 303 N 4.79 2.66 -4.77 -4.21 3.02 -1.26 -4.91 115.26 110.59 1h3j n ASN 303 Ca -0.16 -1.83 -0.37 0.00 -0.03 0.00 0.00 54.58 52.19 1h3j n ASN 303 Cb 0.48 0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1h3j n ASN 303 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h3j s ALA 304 N -2.05 2.99 0.30 5.41 0.00 -1.26 -5.02 121.76 122.13 1h3j s ALA 304 Ca 0.24 1.01 -0.05 0.00 0.00 0.00 0.00 51.96 53.16 1h3j s ALA 304 Cb 0.19 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1h3j s ALA 304 CO 0.36 -0.75 0.57 0.00 0.00 0.00 0.00 175.76 175.94 1h3j s ALA 305 N -1.48 3.60 0.29 0.00 0.00 -1.26 -5.03 121.76 117.88 1h3j s ALA 305 Ca 0.63 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 1h3j s ALA 305 Cb -0.31 -2.33 -0.11 0.00 0.00 0.00 0.00 23.12 20.37 1h3j s ALA 305 CO 0.38 0.23 1.56 -2.14 0.00 0.00 0.00 175.76 175.78 1h3j s PRO 306 N -3.56 4.15 0.03 0.00 0.02 -1.26 -4.99 135.00 129.38 1h3j s PRO 306 Ca 0.44 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.98 1h3j s PRO 306 Cb -0.11 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.35 1h3j s PRO 306 CO 0.30 -0.58 -0.02 0.14 -0.33 0.00 0.00 177.00 176.50 1h3j s VAL 307 N -0.10 0.14 -0.37 3.83 -7.23 -1.26 -3.27 120.40 112.14 1h3j s VAL 307 Ca 0.62 -1.15 -0.20 0.00 -1.81 0.00 0.00 61.98 59.44 1h3j s VAL 307 Cb -0.47 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 35.87 1h3j s VAL 307 CO 0.48 -0.63 0.62 -0.63 -0.31 0.00 0.00 175.10 174.63 1h3j s ILE 308 N -2.14 4.89 0.75 -0.62 1.01 0.60 -4.96 121.20 120.74 1h3j s ILE 308 Ca -0.10 0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 1h3j s ILE 308 Cb -0.05 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.37 1h3j s ILE 308 CO -0.03 -0.37 1.12 -2.16 0.00 0.00 0.00 174.94 173.50 1h3j s PRO 309 N 2.69 2.52 -1.45 2.79 0.04 -1.26 -1.47 135.00 138.85 1h3j s PRO 309 Ca 0.23 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.52 1h3j s PRO 309 Cb -0.15 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.49 1h3j s PRO 309 CO 0.16 -1.26 0.70 0.41 0.04 0.00 0.00 177.00 177.06 1h3j n GLY 310 N -3.03 -0.49 1.52 0.56 0.00 -1.26 -2.21 105.19 100.28 1h3j n GLY 310 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1h3j n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 311 N -1.40 0.76 3.90 -0.02 0.00 -1.15 -3.03 105.19 104.25 1h3j n GLY 311 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1h3j n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h3j s LEU 312 N 0.00 3.67 0.00 0.99 1.43 -0.94 -4.81 118.68 119.03 1h3j s LEU 312 Ca 0.00 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1h3j s LEU 312 Cb 0.00 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 1h3j s LEU 312 CO 0.00 -0.54 0.08 0.35 0.23 0.00 0.00 176.35 176.47 1h3j n THR 313 N -2.02 0.00 0.29 5.49 -2.24 -1.26 -4.70 114.28 109.84 1h3j n THR 313 Ca 0.01 -1.06 0.14 0.00 -2.27 0.00 0.00 64.05 60.86 1h3j n THR 313 Cb 0.55 0.41 0.64 0.00 -2.10 0.00 0.00 70.33 69.83 1h3j n THR 313 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1h3j h VAL 314 N 1.33 0.00 0.00 2.28 3.04 -1.98 0.40 116.25 121.33 1h3j h VAL 314 Ca -0.13 -0.15 -0.03 0.00 -1.01 0.00 0.00 66.70 65.38 1h3j h VAL 314 Cb 0.54 0.85 -0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1h3j h VAL 314 CO 0.21 0.00 -0.12 0.44 -1.01 0.00 0.00 177.57 177.09 1h3j h ASP 315 N 0.00 0.00 -0.01 3.17 3.32 -2.01 -2.36 116.42 118.52 1h3j h ASP 315 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h3j h ASP 315 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1h3j h ASP 315 CO 0.00 0.12 -0.00 0.47 -1.72 0.00 0.00 179.24 178.11 1h3j n ASP 316 N -3.23 1.27 -4.71 6.45 9.92 0.13 -4.84 116.55 121.54 1h3j n ASP 316 Ca 0.01 -1.42 -0.37 0.00 -0.53 0.00 0.00 54.79 52.47 1h3j n ASP 316 Cb 0.41 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.82 1h3j n ASP 316 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1h3j s ILE 317 N -2.00 5.25 -1.28 0.53 -1.09 -0.89 -0.68 121.20 121.04 1h3j s ILE 317 Ca 0.39 0.68 -0.13 0.00 -2.23 0.00 0.00 60.65 59.37 1h3j s ILE 317 Cb 0.21 -3.70 0.14 0.00 -1.58 0.00 0.00 42.46 37.53 1h3j s ILE 317 CO 0.34 0.33 1.75 -0.62 -1.23 0.00 0.00 174.94 175.51 1h3j n GLU 318 N 3.90 3.39 -1.67 2.79 1.02 0.14 -4.93 120.64 125.27 1h3j n GLU 318 Ca -0.10 -3.50 -0.53 0.00 -0.02 0.00 0.00 57.16 53.01 1h3j n GLU 318 Cb 0.52 -3.08 -0.06 0.00 -0.02 0.00 0.00 31.44 28.79 1h3j n GLU 318 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1h3j n VAL 319 N 4.38 0.25 -0.04 2.62 0.31 -1.26 -4.89 118.33 119.70 1h3j n VAL 319 Ca 0.41 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1h3j n VAL 319 Cb 0.40 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1h3j n VAL 319 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1h3j n SER 320 N 4.69 1.06 -4.14 4.52 7.64 -1.26 -4.92 113.62 121.21 1h3j n SER 320 Ca 0.23 -1.10 -0.38 0.00 1.01 0.00 0.00 58.87 58.63 1h3j n SER 320 Cb 0.20 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 1h3j n SER 320 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h3j h PRO 322 N 7.52 1.09 0.00 0.00 0.13 -1.98 -2.80 132.00 135.97 1h3j h PRO 322 Ca -0.06 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1h3j h PRO 322 Cb 1.00 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1h3j h PRO 322 CO 0.73 0.72 0.00 -1.13 -0.23 0.00 0.00 178.00 178.10 1h3j n SER 323 N -4.51 0.48 -3.78 1.44 3.41 -1.26 -4.71 113.62 104.69 1h3j n SER 323 Ca 0.15 0.63 -0.14 0.00 -0.26 0.00 0.00 58.87 59.25 1h3j n SER 323 Cb 0.20 -0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 63.28 1h3j n SER 323 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1h3j s GLU 324 N -3.24 -0.02 0.36 4.33 8.01 -1.06 -5.13 118.70 121.95 1h3j s GLU 324 Ca 0.04 0.19 -0.28 0.00 0.01 0.00 0.00 54.97 54.93 1h3j s GLU 324 Cb 0.09 -0.20 -0.10 0.00 -4.31 0.00 0.00 34.13 29.61 1h3j s GLU 324 CO 0.34 -0.15 1.34 -1.25 0.01 0.00 0.00 175.26 175.55 1h3j s PRO 325 N 0.94 4.18 0.24 0.39 0.04 -1.26 -4.78 135.00 134.75 1h3j s PRO 325 Ca -0.08 2.26 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 1h3j s PRO 325 Cb -0.11 -2.95 -0.12 0.00 0.04 0.00 0.00 34.50 31.36 1h3j s PRO 325 CO -0.03 -0.35 1.68 0.12 0.04 0.00 0.00 177.00 178.47 1h3j s PHE 326 N -1.18 2.85 0.65 0.56 5.36 -1.26 -4.92 117.98 120.05 1h3j s PHE 326 Ca 0.52 0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 56.79 1h3j s PHE 326 Cb -0.40 -4.12 -0.01 0.00 -0.34 0.00 0.00 43.02 38.14 1h3j s PHE 326 CO 0.53 -4.11 1.28 -1.25 -1.46 0.00 0.00 175.22 170.22 1h3j s PRO 327 N 0.63 2.57 -0.32 10.12 0.04 -1.26 -4.94 135.00 141.84 1h3j s PRO 327 Ca 0.71 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.49 1h3j s PRO 327 Cb -0.49 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1h3j s PRO 327 CO 0.37 -1.57 1.06 -1.21 0.04 0.00 0.00 177.00 175.69 1h3j s GLU 328 N -3.41 4.06 0.27 4.56 0.41 -1.26 -5.02 118.70 118.32 1h3j s GLU 328 Ca 0.82 1.05 0.04 0.00 -0.41 0.00 0.00 54.97 56.47 1h3j s GLU 328 Cb -0.36 -3.73 -0.06 0.00 -1.78 0.00 0.00 34.13 28.20 1h3j s GLU 328 CO 0.39 -0.88 0.01 0.96 -0.49 0.00 0.00 175.26 175.25 1h3j s ILE 329 N 3.60 1.19 0.47 -1.63 -4.36 -1.26 -5.05 121.20 114.15 1h3j s ILE 329 Ca 0.45 -2.04 -0.24 0.00 -0.26 0.00 0.00 60.65 58.56 1h3j s ILE 329 Cb -0.12 -2.51 -0.07 0.00 1.25 0.00 0.00 42.46 41.01 1h3j s ILE 329 CO 0.15 -0.21 1.27 0.00 0.24 0.00 0.00 174.94 176.38 1h3j s ALA 330 N -3.31 3.02 -0.09 2.27 0.00 -1.20 -4.85 121.76 117.60 1h3j s ALA 330 Ca 0.31 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.45 1h3j s ALA 330 Cb 0.06 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1h3j s ALA 330 CO 0.12 -0.92 -0.17 0.95 0.00 0.00 0.00 175.76 175.74 1h3j s THR 331 N -1.38 1.52 0.69 0.00 -4.23 -1.26 -0.29 115.64 110.68 1h3j s THR 331 Ca 0.64 -0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 1h3j s THR 331 Cb -0.35 -1.36 0.05 0.00 1.34 0.00 0.00 72.50 72.18 1h3j s THR 331 CO 0.43 0.44 1.01 0.00 -0.54 0.00 0.00 174.62 175.96 1h3j s ALA 332 N 0.64 3.14 0.22 3.99 0.00 -0.54 -4.91 121.76 124.30 1h3j s ALA 332 Ca -0.14 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 1h3j s ALA 332 Cb -0.16 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.25 1h3j s ALA 332 CO 0.04 -1.21 0.49 -1.54 0.00 0.00 0.00 175.76 173.54 1h3j s SER 333 N -4.47 6.53 1.16 0.00 1.04 -1.26 -2.94 113.70 113.76 1h3j s SER 333 Ca 0.59 0.75 -0.10 0.00 0.48 0.00 0.00 55.95 57.66 1h3j s SER 333 Cb -0.11 -2.16 0.15 0.00 0.10 0.00 0.00 66.02 64.01 1h3j s SER 333 CO 0.45 -0.06 0.46 0.61 0.98 0.00 0.00 173.24 175.68 1h3j n GLY 334 N -0.28 -3.09 3.53 7.32 0.00 -1.26 -3.74 105.19 107.67 1h3j n GLY 334 Ca -0.01 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1h3j n GLY 334 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h3j n PRO 335 N -3.32 -1.25 -1.90 1.61 -0.04 -1.26 -4.81 135.00 124.02 1h3j n PRO 335 Ca 0.07 -1.88 -0.40 0.00 -0.04 0.00 0.00 63.50 61.25 1h3j n PRO 335 Cb 0.27 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1h3j n PRO 335 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1h3j s LEU 336 N 0.00 4.21 0.75 1.53 1.43 -1.17 -4.33 118.68 121.10 1h3j s LEU 336 Ca 0.69 2.85 -0.12 0.00 -1.03 0.00 0.00 54.13 56.52 1h3j s LEU 336 Cb -0.02 -3.85 0.04 0.00 0.03 0.00 0.00 46.19 42.39 1h3j s LEU 336 CO 0.49 -0.97 1.11 -2.16 0.23 0.00 0.00 176.35 175.05 1h3j s PRO 337 N -2.27 2.45 -0.19 1.29 0.04 -1.26 -5.00 135.00 130.06 1h3j s PRO 337 Ca 0.57 0.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1h3j s PRO 337 Cb -0.42 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.19 1h3j s PRO 337 CO 0.55 -1.32 -0.02 0.45 0.04 0.00 0.00 177.00 176.70 1h3j s SER 338 N -4.26 3.11 0.17 6.66 0.15 -1.26 -3.97 113.70 114.30 1h3j s SER 338 Ca 0.60 -0.85 -0.30 0.00 0.70 0.00 0.00 55.95 56.10 1h3j s SER 338 Cb -0.12 -0.86 -0.07 0.00 -1.71 0.00 0.00 66.02 63.26 1h3j s SER 338 CO 0.52 -0.24 1.06 -0.76 1.20 0.00 0.00 173.24 175.02 1h3j s LEU 339 N 1.66 4.50 0.52 3.45 1.02 -0.64 -4.94 118.68 124.24 1h3j s LEU 339 Ca -0.02 2.02 -0.10 0.00 0.02 0.00 0.00 54.13 56.06 1h3j s LEU 339 Cb -0.17 -3.60 -0.05 0.00 0.02 0.00 0.00 46.19 42.39 1h3j s LEU 339 CO -0.07 -0.16 0.90 0.00 0.02 0.00 0.00 176.35 177.04 1h3j s ALA 340 N -0.28 3.24 0.59 4.21 0.00 -1.26 -4.41 121.76 123.85 1h3j s ALA 340 Ca 0.48 -0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 1h3j s ALA 340 Cb -0.28 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1h3j s ALA 340 CO 0.34 -0.37 1.19 -2.14 0.00 0.00 0.00 175.76 174.77 1h3j s PRO 341 N -4.59 2.99 0.49 0.00 0.02 -1.26 -4.59 135.00 128.06 1h3j s PRO 341 Ca 0.53 1.76 -0.23 0.00 0.02 0.00 0.00 61.00 63.08 1h3j s PRO 341 Cb -0.10 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1h3j s PRO 341 CO 0.43 -1.17 1.28 0.00 -0.33 0.00 0.00 177.00 177.21 1h3j s ALA 342 N -1.69 2.94 -2.00 -1.55 0.00 -0.09 -4.98 121.76 114.40 1h3j s ALA 342 Ca 0.76 1.18 0.10 0.00 0.00 0.00 0.00 51.96 54.00 1h3j s ALA 342 Cb -0.28 -3.49 0.62 0.00 0.00 0.00 0.00 23.12 19.96 1h3j s ALA 342 CO 0.33 -1.03 1.06 -2.30 0.00 0.00 0.00 175.76 173.82