#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtj s GLN 8 N 0.00 4.27 0.39 -1.24 2.00 -1.26 -5.02 119.66 118.80 1wtj s GLN 8 Ca 0.00 1.35 -0.26 0.00 -2.00 0.00 0.00 55.36 54.44 1wtj s GLN 8 Cb 0.00 -3.63 -0.09 0.00 0.80 0.00 0.00 33.01 30.09 1wtj s GLN 8 CO 0.00 -0.59 1.27 -1.25 -0.50 0.00 0.00 175.29 174.22 1wtj s PRO 9 N 3.06 4.07 0.36 1.67 0.04 -1.26 -4.85 135.00 138.10 1wtj s PRO 9 Ca 0.44 2.10 0.08 0.00 0.04 0.00 0.00 61.00 63.66 1wtj s PRO 9 Cb -0.15 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1wtj s PRO 9 CO 0.07 -0.38 0.22 0.95 0.04 0.00 0.00 177.00 177.90 1wtj s THR 10 N -1.26 2.99 0.24 1.26 -4.23 -1.26 -0.70 115.64 112.68 1wtj s THR 10 Ca 0.55 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1wtj s THR 10 Cb -0.37 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1wtj s THR 10 CO 0.48 -0.13 0.19 -1.10 -0.54 0.00 0.00 174.62 173.52 1wtj s GLN 11 N -3.93 1.39 -0.03 3.99 -0.21 0.58 -4.73 119.66 116.72 1wtj s GLN 11 Ca 0.41 -1.73 0.04 0.00 0.02 0.00 0.00 55.36 54.10 1wtj s GLN 11 Cb -0.03 0.30 -0.01 0.00 1.00 0.00 0.00 33.01 34.27 1wtj s GLN 11 CO 0.24 -0.48 -0.16 0.95 -2.12 0.00 0.00 175.29 173.72 1wtj s THR 12 N -3.92 1.29 -0.02 -0.19 -4.23 -1.26 -0.44 115.64 106.87 1wtj s THR 12 Ca 0.39 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 1wtj s THR 12 Cb 0.05 -1.09 -0.01 0.00 1.34 0.00 0.00 72.50 72.79 1wtj s THR 12 CO 0.17 0.37 -0.19 0.54 -0.54 0.00 0.00 174.62 174.97 1wtj s VAL 13 N -0.14 1.50 0.76 2.29 0.11 -0.44 -4.86 120.40 119.62 1wtj s VAL 13 Ca 0.01 -0.80 -0.11 0.00 -2.93 0.00 0.00 61.98 58.16 1wtj s VAL 13 Cb -0.09 -1.26 0.05 0.00 -1.53 0.00 0.00 36.38 33.56 1wtj s VAL 13 CO 0.01 0.43 1.09 -0.94 -3.33 0.00 0.00 175.10 172.35 1wtj s SER 14 N -0.33 4.62 0.11 3.54 1.04 -1.26 -0.49 113.70 120.92 1wtj s SER 14 Ca 0.04 1.76 -0.22 0.00 0.48 0.00 0.00 55.95 58.02 1wtj s SER 14 Cb -0.08 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.45 1wtj s SER 14 CO 0.00 -1.96 1.72 0.22 0.98 0.00 0.00 173.24 174.20 1wtj h TYR 15 N -1.07 -0.09 -0.46 5.02 3.20 -1.96 -1.34 116.97 120.26 1wtj h TYR 15 Ca -0.44 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 1wtj h TYR 15 Cb 1.23 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1wtj h TYR 15 CO 0.58 -0.06 0.19 -1.00 -1.64 0.00 0.00 178.16 176.22 1wtj h PRO 16 N -0.04 0.65 -0.59 1.82 0.13 -2.00 -1.79 132.00 130.18 1wtj h PRO 16 Ca 0.04 -0.09 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 1wtj h PRO 16 Cb 0.10 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.08 1wtj h PRO 16 CO -0.09 0.53 0.08 1.96 -0.23 0.00 0.00 178.00 180.25 1wtj h GLN 17 N 0.65 0.99 -0.54 0.86 4.20 -1.83 -1.71 115.11 117.73 1wtj h GLN 17 Ca 0.16 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1wtj h GLN 17 Cb 0.12 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1wtj h GLN 17 CO -0.02 0.94 -0.01 1.25 -0.67 0.00 0.00 178.83 180.33 1wtj h LEU 18 N 0.89 0.90 -0.24 1.46 5.85 -0.80 -0.99 115.31 122.38 1wtj h LEU 18 Ca 0.18 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1wtj h LEU 18 Cb 0.44 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1wtj h LEU 18 CO 0.01 0.96 0.12 0.40 -0.34 0.00 0.00 178.44 179.60 1wtj h ILE 19 N 0.85 1.13 -0.64 4.05 2.04 -1.09 -0.99 117.51 122.87 1wtj h ILE 19 Ca 0.16 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1wtj h ILE 19 Cb 0.52 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1wtj h ILE 19 CO 0.03 0.13 0.41 -0.78 0.00 0.00 0.00 178.15 177.94 1wtj h ASP 20 N 0.26 0.74 0.03 1.72 3.58 -1.07 -0.18 116.42 121.50 1wtj h ASP 20 Ca 0.08 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1wtj h ASP 20 Cb 0.10 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1wtj h ASP 20 CO -0.01 0.56 -0.02 0.25 -2.88 0.00 0.00 179.24 177.14 1wtj h LEU 21 N 0.86 -0.04 -1.07 2.28 5.85 -0.96 -1.98 115.31 120.26 1wtj h LEU 21 Ca 0.23 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1wtj h LEU 21 Cb -0.07 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1wtj h LEU 21 CO -0.05 0.01 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.77 1wtj h LEU 22 N -0.08 0.39 -0.51 2.25 3.38 -0.98 -2.02 115.31 117.74 1wtj h LEU 22 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1wtj h LEU 22 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1wtj h LEU 22 CO 0.01 0.62 0.27 -0.09 0.09 0.00 0.00 178.44 179.34 1wtj h ARG 23 N 0.36 0.72 -0.61 1.13 2.43 -0.80 -1.19 114.38 116.41 1wtj h ARG 23 Ca 0.06 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1wtj h ARG 23 Cb 0.59 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1wtj h ARG 23 CO 0.04 0.56 0.34 0.00 -1.51 0.00 0.00 179.97 179.41 1wtj h ARG 24 N 0.68 0.85 -0.27 0.20 3.08 -1.04 -1.66 114.38 116.22 1wtj h ARG 24 Ca 0.18 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1wtj h ARG 24 Cb 0.06 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1wtj h ARG 24 CO -0.03 0.64 0.10 0.82 -1.07 0.00 0.00 179.97 180.43 1wtj h ILE 25 N 0.83 0.94 -0.55 2.04 2.04 -0.87 0.47 117.51 122.41 1wtj h ILE 25 Ca 0.22 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 1wtj h ILE 25 Cb 0.03 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1wtj h ILE 25 CO -0.04 0.04 0.22 -0.26 0.00 0.00 0.00 178.15 178.12 1wtj h PHE 26 N 0.23 0.83 -0.23 1.37 0.04 -1.01 -1.45 116.94 116.72 1wtj h PHE 26 Ca 0.12 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1wtj h PHE 26 Cb 0.07 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 1wtj h PHE 26 CO -0.12 0.68 0.09 0.28 -0.60 0.00 0.00 178.31 178.63 1wtj h VAL 27 N 0.74 1.17 -0.17 -0.55 2.07 -1.03 -1.63 116.25 116.86 1wtj h VAL 27 Ca 0.18 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1wtj h VAL 27 Cb 0.20 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1wtj h VAL 27 CO -0.02 0.17 0.10 0.58 0.02 0.00 0.00 177.57 178.42 1wtj h VAL 28 N 0.21 1.05 -0.44 2.57 2.07 -0.77 -2.52 116.25 118.43 1wtj h VAL 28 Ca 0.07 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1wtj h VAL 28 Cb 0.19 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1wtj h VAL 28 CO -0.01 0.06 0.00 1.41 0.02 0.00 0.00 177.57 179.05 1wtj n HIS 29 N -4.50 1.53 -0.01 1.57 -0.00 -0.56 -4.93 115.22 108.32 1wtj n HIS 29 Ca -0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 57.72 57.18 1wtj n HIS 29 Cb 0.09 -0.39 0.00 0.00 -0.00 0.00 0.00 29.99 29.69 1wtj n HIS 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wtj n GLY 30 N 0.51 0.99 3.94 -1.41 0.00 -0.95 -4.82 105.19 103.45 1wtj n GLY 30 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1wtj n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wtj s THR 31 N -2.00 5.08 0.81 2.61 -4.23 -0.65 -4.27 115.64 112.98 1wtj s THR 31 Ca 0.00 -0.49 -0.11 0.00 -1.18 0.00 0.00 61.69 59.91 1wtj s THR 31 Cb 0.00 -3.85 0.08 0.00 1.34 0.00 0.00 72.50 70.06 1wtj s THR 31 CO 0.00 -0.54 1.09 -0.94 -0.54 0.00 0.00 174.62 173.68 1wtj s SER 32 N -4.04 4.34 0.37 3.99 1.04 -0.60 -4.54 113.70 114.27 1wtj s SER 32 Ca 0.40 1.48 0.08 0.00 0.48 0.00 0.00 55.95 58.39 1wtj s SER 32 Cb -0.10 -2.22 0.73 0.00 0.10 0.00 0.00 66.02 64.54 1wtj s SER 32 CO 0.36 -2.09 1.90 1.55 0.98 0.00 0.00 173.24 175.94 1wtj h PRO 33 N -1.17 0.30 -0.22 4.02 0.13 -1.98 -1.04 132.00 132.04 1wtj h PRO 33 Ca -0.47 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1wtj h PRO 33 Cb 1.26 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wtj h PRO 33 CO 0.56 0.43 0.09 0.93 -0.23 0.00 0.00 178.00 179.77 1wtj h GLU 34 N 0.29 0.34 -0.61 0.86 3.07 -1.96 -0.58 114.58 115.98 1wtj h GLU 34 Ca 0.06 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 1wtj h GLU 34 Cb 0.38 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1wtj h GLU 34 CO 0.02 0.40 0.11 0.28 -1.40 0.00 0.00 179.01 178.42 1wtj h VAL 35 N 0.21 1.26 -0.68 3.13 2.07 -1.79 -2.26 116.25 118.18 1wtj h VAL 35 Ca 0.07 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1wtj h VAL 35 Cb 0.19 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1wtj h VAL 35 CO -0.01 0.37 0.34 0.00 0.02 0.00 0.00 177.57 178.29 1wtj h ALA 36 N 1.03 0.88 -0.30 1.67 0.00 -1.00 -0.51 119.26 121.03 1wtj h ALA 36 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wtj h ALA 36 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wtj h ALA 36 CO 0.01 0.43 0.17 -0.44 0.00 0.00 0.00 179.25 179.42 1wtj h ASP 37 N 0.95 0.37 -0.08 0.00 3.32 -0.92 0.02 116.42 120.07 1wtj h ASP 37 Ca 0.24 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1wtj h ASP 37 Cb 0.09 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wtj h ASP 37 CO -0.03 0.34 0.01 0.58 -1.72 0.00 0.00 179.24 178.42 1wtj h VAL 38 N 0.38 1.21 -0.26 -1.35 2.07 -1.17 -2.62 116.25 114.51 1wtj h VAL 38 Ca 0.11 -0.65 -0.15 0.00 0.82 0.00 0.00 66.70 66.83 1wtj h VAL 38 Cb 0.04 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1wtj h VAL 38 CO -0.02 0.18 -0.44 -0.07 0.02 0.00 0.00 177.57 177.24 1wtj h LEU 39 N -0.10 0.72 -0.29 2.57 3.38 -1.07 -1.71 115.31 118.81 1wtj h LEU 39 Ca 0.02 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1wtj h LEU 39 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1wtj h LEU 39 CO 0.00 1.06 0.15 0.00 0.09 0.00 0.00 178.44 179.74 1wtj h ALA 40 N 0.97 0.37 -0.66 1.53 0.00 -1.01 0.50 119.26 120.96 1wtj h ALA 40 Ca 0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1wtj h ALA 40 Cb 0.98 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1wtj h ALA 40 CO 0.09 -0.09 0.11 1.49 0.00 0.00 0.00 179.25 180.86 1wtj h GLU 41 N 0.34 1.08 0.21 0.00 4.81 -1.44 -1.06 114.58 118.52 1wtj h GLU 41 Ca 0.10 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1wtj h GLU 41 Cb 0.09 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1wtj h GLU 41 CO -0.01 0.99 -0.10 -0.97 -0.73 0.00 0.00 179.01 178.19 1wtj h ASN 42 N 1.00 -0.24 -0.54 1.04 -0.73 -1.01 -0.31 115.58 114.80 1wtj h ASN 42 Ca 0.20 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 1wtj h ASN 42 Cb 0.43 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 1wtj h ASN 42 CO 0.01 -0.03 0.25 0.00 -0.37 0.00 0.00 177.43 177.29 1wtj h ALA 44 N 1.09 1.14 -0.54 0.00 0.00 -1.17 -2.08 119.26 117.71 1wtj h ALA 44 Ca 0.18 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1wtj h ALA 44 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1wtj h ALA 44 CO -0.02 0.57 0.02 0.77 0.00 0.00 0.00 179.25 180.59 1wtj h SER 45 N 0.79 0.86 -0.46 0.00 0.02 -0.67 0.64 113.55 114.73 1wtj h SER 45 Ca 0.16 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1wtj h SER 45 Cb 0.38 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1wtj h SER 45 CO 0.01 0.91 0.11 0.00 -1.14 0.00 0.00 176.83 176.73 1wtj h ALA 46 N 1.18 0.60 -0.50 3.77 0.00 -0.99 -1.50 119.26 121.83 1wtj h ALA 46 Ca 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1wtj h ALA 46 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1wtj h ALA 46 CO 0.02 0.29 0.14 0.37 0.00 0.00 0.00 179.25 180.06 1wtj h GLN 47 N 0.61 0.78 -0.72 0.00 5.75 -0.99 0.71 115.11 121.26 1wtj h GLN 47 Ca 0.14 -0.18 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 1wtj h GLN 47 Cb 0.32 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 1wtj h GLN 47 CO 0.00 0.75 0.47 -0.09 -2.65 0.00 0.00 178.83 177.31 1wtj h ARG 48 N 0.68 0.83 -0.01 1.69 2.43 -0.67 -2.27 114.38 117.05 1wtj h ARG 48 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1wtj h ARG 48 Cb 0.30 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1wtj h ARG 48 CO -0.00 0.55 -0.10 -0.25 -1.51 0.00 0.00 179.97 178.66 1wtj n ASP 49 N -4.46 1.04 0.00 -3.80 9.92 -0.58 -3.51 116.55 115.16 1wtj n ASP 49 Ca 0.09 -1.11 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1wtj n ASP 49 Cb 0.14 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 1wtj n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wtj n GLY 50 N 1.23 0.53 2.70 0.44 0.00 -0.81 -4.53 105.19 104.75 1wtj n GLY 50 Ca 0.17 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1wtj n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wtj n SER 51 N 0.94 5.70 -0.34 1.61 7.64 0.18 -4.80 113.62 124.55 1wtj n SER 51 Ca 0.00 -2.99 0.17 0.00 1.01 0.00 0.00 58.87 57.05 1wtj n SER 51 Cb 0.00 -1.51 0.37 0.00 -1.01 0.00 0.00 64.21 62.06 1wtj n SER 51 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1wtj h HIS 52 N 5.52 0.99 0.00 1.43 3.86 -1.91 -0.78 115.15 124.27 1wtj h HIS 52 Ca 0.54 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.78 1wtj h HIS 52 Cb 0.54 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1wtj h HIS 52 CO 1.43 0.07 -0.04 0.66 0.86 0.00 0.00 177.93 180.91 1wtj h SER 53 N 0.58 0.00 -0.04 2.45 4.64 -1.88 -2.90 113.55 116.41 1wtj h SER 53 Ca 0.63 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1wtj h SER 53 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wtj h SER 53 CO -0.47 0.04 -0.05 1.41 -0.87 0.00 0.00 176.83 176.89 1wtj n HIS 54 N -4.07 0.15 0.00 4.77 -0.00 -0.34 -4.58 115.22 111.15 1wtj n HIS 54 Ca -0.03 -1.04 0.00 0.00 -0.00 0.00 0.00 57.72 56.65 1wtj n HIS 54 Cb 0.13 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 29.93 1wtj n HIS 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wtj n GLY 55 N -1.28 1.68 0.21 -1.41 0.00 -0.93 -4.62 105.19 98.84 1wtj n GLY 55 Ca 0.17 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.68 1wtj n GLY 55 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1wtj h ILE 56 N 0.00 0.00 -0.25 -0.61 3.07 -1.83 -1.30 117.51 116.59 1wtj h ILE 56 Ca 0.00 0.00 0.07 0.00 1.55 0.00 0.00 64.86 66.48 1wtj h ILE 56 Cb 0.00 0.59 -0.01 0.00 -0.27 0.00 0.00 36.82 37.13 1wtj h ILE 56 CO 0.00 0.00 0.23 0.15 -1.05 0.00 0.00 178.15 177.48 1wtj h PHE 57 N 0.00 0.00 0.00 0.16 3.57 -1.88 -1.42 116.94 117.37 1wtj h PHE 57 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wtj h PHE 57 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1wtj h PHE 57 CO 0.00 0.00 -0.19 0.54 -2.23 0.00 0.00 178.31 176.43 1wtj n ARG 58 N -4.04 0.06 -0.02 1.11 5.12 -0.49 -4.31 116.66 114.08 1wtj n ARG 58 Ca 0.03 0.03 -0.09 0.00 -1.93 0.00 0.00 57.85 55.90 1wtj n ARG 58 Cb 0.37 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 1wtj n ARG 58 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1wtj h ILE 59 N 0.00 0.67 -0.75 0.55 1.08 -1.44 -0.29 117.51 117.33 1wtj h ILE 59 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1wtj h ILE 59 Cb 0.55 0.67 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 1wtj h ILE 59 CO 0.00 0.00 0.41 -0.65 -0.69 0.00 0.00 178.15 177.22 1wtj h PRO 60 N -0.10 0.67 -0.33 2.37 0.11 -1.79 -0.47 132.00 132.45 1wtj h PRO 60 Ca 0.10 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 1wtj h PRO 60 Cb 0.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1wtj h PRO 60 CO -0.24 0.45 -0.19 0.78 -0.21 0.00 0.00 178.00 178.59 1wtj h GLY 61 N 0.69 0.66 0.89 -0.55 0.00 -1.71 -0.42 103.07 102.64 1wtj h GLY 61 Ca 0.36 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1wtj h GLY 61 CO -0.25 0.48 0.07 -0.97 0.00 0.00 0.00 176.54 175.87 1wtj h TYR 62 N 0.55 0.26 -0.52 5.60 0.05 -0.20 -2.13 116.97 120.58 1wtj h TYR 62 Ca 0.09 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 1wtj h TYR 62 Cb 0.63 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1wtj h TYR 62 CO 0.03 0.32 0.01 -0.07 -1.05 0.00 0.00 178.16 177.39 1wtj h LEU 63 N 0.12 0.89 -1.01 3.88 3.38 -0.85 -1.52 115.31 120.21 1wtj h LEU 63 Ca 0.06 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1wtj h LEU 63 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wtj h LEU 63 CO -0.01 0.97 -0.48 0.77 0.09 0.00 0.00 178.44 179.79 1wtj h SER 64 N 0.78 0.00 -0.34 -0.43 4.64 -1.09 0.23 113.55 117.35 1wtj h SER 64 Ca 0.15 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.30 1wtj h SER 64 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1wtj h SER 64 CO 0.02 0.48 -0.44 0.28 -0.87 0.00 0.00 176.83 176.30 1wtj h SER 65 N 0.00 0.98 -0.23 4.97 0.02 -1.17 -2.32 113.55 115.79 1wtj h SER 65 Ca -0.00 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.40 1wtj h SER 65 Cb 0.88 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1wtj h SER 65 CO 0.06 1.28 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.90 1wtj h LEU 66 N 0.70 0.45 -1.65 5.07 3.38 -0.98 -2.84 115.31 119.44 1wtj h LEU 66 Ca 0.04 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1wtj h LEU 66 Cb 1.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1wtj h LEU 66 CO 0.10 0.72 0.06 0.00 0.09 0.00 0.00 178.44 179.42 1wtj h ALA 67 N 0.75 1.72 0.00 1.53 0.00 -0.94 -2.05 119.26 120.27 1wtj h ALA 67 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wtj h ALA 67 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wtj h ALA 67 CO 0.02 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1wtj n SER 68 N -4.43 0.14 0.00 0.00 3.41 -0.88 -4.89 113.62 106.98 1wtj n SER 68 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1wtj n SER 68 Cb 0.14 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1wtj n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wtj n GLY 69 N 1.25 0.83 0.31 5.00 0.00 -0.77 -4.90 105.19 106.90 1wtj n GLY 69 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1wtj n GLY 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1wtj h TRP 70 N 0.00 1.05 -4.42 1.61 2.91 -1.74 -3.42 115.95 111.94 1wtj h TRP 70 Ca 0.00 -0.03 -0.66 0.00 1.13 0.00 0.00 58.89 59.32 1wtj h TRP 70 Cb 0.00 -0.33 -0.30 0.00 -0.51 0.00 0.00 29.16 28.02 1wtj h TRP 70 CO 0.00 0.75 -0.88 0.54 -1.03 0.00 0.00 178.44 177.82 1wtj s VAL 71 N -5.80 1.89 -0.56 2.65 0.11 -1.21 -5.01 120.40 112.46 1wtj s VAL 71 Ca -0.13 -1.01 -0.21 0.00 -2.93 0.00 0.00 61.98 57.70 1wtj s VAL 71 Cb 0.15 -1.58 0.06 0.00 -1.53 0.00 0.00 36.38 33.48 1wtj s VAL 71 CO 0.81 0.53 0.79 -0.62 -3.33 0.00 0.00 175.10 173.28 1wtj s ASP 72 N -0.46 6.24 0.00 3.54 -1.08 -0.11 -4.61 116.67 120.18 1wtj s ASP 72 Ca 0.06 -0.86 0.17 0.00 -0.52 0.00 0.00 52.55 51.41 1wtj s ASP 72 Cb -0.10 -2.36 0.82 0.00 -1.46 0.00 0.00 42.92 39.83 1wtj s ASP 72 CO 0.00 -1.12 1.52 0.61 0.52 0.00 0.00 175.17 176.70 1wtj n GLY 73 N 5.20 -0.93 0.23 2.66 0.00 -1.26 -2.59 105.19 108.50 1wtj n GLY 73 Ca -0.04 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1wtj n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wtj n LYS 74 N -1.36 2.02 -1.92 1.61 5.02 -1.26 -1.56 118.16 120.71 1wtj n LYS 74 Ca 0.07 -2.36 -0.39 0.00 -2.02 0.00 0.00 58.31 53.61 1wtj n LYS 74 Cb 0.16 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1wtj n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wtj s ALA 75 N -2.36 3.14 -0.31 7.82 0.00 -1.07 -4.89 121.76 124.10 1wtj s ALA 75 Ca 0.26 1.32 -0.06 0.00 0.00 0.00 0.00 51.96 53.49 1wtj s ALA 75 Cb 0.22 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1wtj s ALA 75 CO 0.04 -1.06 0.07 0.08 0.00 0.00 0.00 175.76 174.89 1wtj s VAL 76 N -1.27 3.66 0.45 0.00 1.01 -1.26 -4.99 120.40 117.99 1wtj s VAL 76 Ca 0.62 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.35 1wtj s VAL 76 Cb -0.40 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1wtj s VAL 76 CO 0.50 -0.04 1.33 -2.65 0.00 0.00 0.00 175.10 174.24 1wtj n PRO 77 N 4.79 2.00 -3.74 2.72 -0.02 -1.26 -4.80 135.00 134.69 1wtj n PRO 77 Ca -0.14 0.71 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 1wtj n PRO 77 Cb 0.46 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 1wtj n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wtj s VAL 78 N -1.21 3.89 -0.17 -1.45 1.01 -0.51 -4.96 120.40 117.00 1wtj s VAL 78 Ca 0.62 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 1wtj s VAL 78 Cb -0.48 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1wtj s VAL 78 CO 0.57 -0.12 0.71 -0.69 0.00 0.00 0.00 175.10 175.57 1wtj s VAL 79 N 1.44 4.97 -0.29 2.92 1.01 -1.26 -1.13 120.40 128.05 1wtj s VAL 79 Ca -0.00 1.38 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 1wtj s VAL 79 Cb -0.19 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1wtj s VAL 79 CO 0.03 0.09 -0.01 -1.61 0.00 0.00 0.00 175.10 173.60 1wtj s GLU 80 N 1.90 2.52 -0.78 2.72 2.02 0.11 -5.00 118.70 122.20 1wtj s GLU 80 Ca 0.33 -1.20 -0.24 0.00 0.02 0.00 0.00 54.97 53.88 1wtj s GLU 80 Cb -0.16 -3.16 0.06 0.00 0.10 0.00 0.00 34.13 30.97 1wtj s GLU 80 CO 0.12 -0.58 1.17 0.34 0.02 0.00 0.00 175.26 176.33 1wtj s ASP 81 N 1.27 6.28 0.00 -0.19 -1.08 -1.26 -1.05 116.67 120.65 1wtj s ASP 81 Ca -0.04 -1.03 0.17 0.00 -0.52 0.00 0.00 52.55 51.14 1wtj s ASP 81 Cb -0.19 -2.49 0.04 0.00 -1.46 0.00 0.00 42.92 38.82 1wtj s ASP 81 CO -0.01 -1.54 0.94 1.33 0.52 0.00 0.00 175.17 176.41 1wtj n VAL 82 N 6.18 0.00 -3.56 1.11 0.24 -0.98 -5.03 118.33 116.30 1wtj n VAL 82 Ca 0.08 -0.37 -0.06 0.00 -2.04 0.00 0.00 64.34 61.95 1wtj n VAL 82 Cb 0.48 1.25 -0.02 0.00 -1.47 0.00 0.00 33.84 34.08 1wtj n VAL 82 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wtj s GLY 83 N -1.84 -0.39 0.54 7.63 0.00 -0.93 -4.91 107.32 107.42 1wtj s GLY 83 Ca 0.16 1.16 0.28 0.00 0.00 0.00 0.00 44.72 46.32 1wtj s GLY 83 CO 0.37 0.38 1.95 0.00 0.00 0.00 0.00 173.10 175.80 1wtj h ALA 84 N 2.00 2.54 0.00 3.20 0.00 -2.00 -2.24 119.26 122.76 1wtj h ALA 84 Ca -0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1wtj h ALA 84 Cb 1.21 0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 1wtj h ALA 84 CO 0.27 -0.80 -0.80 0.00 0.00 0.00 0.00 179.25 177.92 1wtj n ALA 85 N -2.61 2.85 -3.73 0.00 0.00 -1.26 -4.77 120.51 110.99 1wtj n ALA 85 Ca 0.12 -2.69 -0.16 0.00 0.00 0.00 0.00 53.44 50.72 1wtj n ALA 85 Cb 0.72 -0.58 -0.16 0.00 0.00 0.00 0.00 19.45 19.44 1wtj n ALA 85 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1wtj s PHE 86 N -1.29 -0.05 -0.04 0.00 5.36 -0.84 -1.25 117.98 119.87 1wtj s PHE 86 Ca 0.35 0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.67 1wtj s PHE 86 Cb 0.37 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.81 1wtj s PHE 86 CO -0.12 -0.15 -0.14 0.08 -1.46 0.00 0.00 175.22 173.43 1wtj s VAL 87 N 1.46 1.17 0.15 3.12 1.01 0.06 -2.18 120.40 125.18 1wtj s VAL 87 Ca -0.05 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.46 1wtj s VAL 87 Cb -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1wtj s VAL 87 CO -0.04 0.35 -0.17 -0.13 0.00 0.00 0.00 175.10 175.11 1wtj s ARG 88 N 0.18 1.79 -0.04 2.72 0.52 -0.21 -0.68 118.95 123.23 1wtj s ARG 88 Ca -0.05 -1.29 -0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1wtj s ARG 88 Cb -0.11 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.33 1wtj s ARG 88 CO 0.02 0.45 0.01 0.08 0.02 0.00 0.00 175.30 175.88 1wtj s VAL 89 N -1.44 0.13 -0.42 3.52 1.01 -0.50 0.10 120.40 122.80 1wtj s VAL 89 Ca 0.21 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.13 1wtj s VAL 89 Cb -0.09 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1wtj s VAL 89 CO 0.11 0.16 0.67 -0.62 0.00 0.00 0.00 175.10 175.43 1wtj s ASP 90 N 1.31 6.37 0.00 3.32 -1.08 -0.29 -1.48 116.67 124.82 1wtj s ASP 90 Ca -0.06 -0.18 0.20 0.00 -0.52 0.00 0.00 52.55 51.99 1wtj s ASP 90 Cb -0.13 -2.34 0.97 0.00 -1.46 0.00 0.00 42.92 39.96 1wtj s ASP 90 CO -0.02 -0.77 1.65 0.00 0.52 0.00 0.00 175.17 176.54 1wtj n ALA 91 N 6.32 2.02 -3.89 3.66 0.00 -0.05 -1.42 120.51 127.14 1wtj n ALA 91 Ca -0.01 -0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 1wtj n ALA 91 Cb 0.48 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1wtj n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wtj n ASN 93 N -2.97 -5.54 -2.84 0.00 5.15 -0.57 -4.79 115.26 103.69 1wtj n ASN 93 Ca -0.30 0.32 -0.07 0.00 -0.60 0.00 0.00 54.58 53.94 1wtj n ASN 93 Cb 0.68 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.20 1wtj n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wtj n GLY 94 N -0.67 2.74 3.80 8.20 0.00 -0.24 -0.94 105.19 118.08 1wtj n GLY 94 Ca -0.21 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.28 1wtj n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wtj s PHE 95 N -0.64 2.90 0.10 1.61 0.08 -1.26 -1.14 117.98 119.63 1wtj s PHE 95 Ca 0.11 1.51 -0.14 0.00 0.12 0.00 0.00 56.93 58.53 1wtj s PHE 95 Cb -0.01 -3.04 -0.11 0.00 -0.57 0.00 0.00 43.02 39.30 1wtj s PHE 95 CO 0.07 -1.27 1.38 0.00 -0.10 0.00 0.00 175.22 175.29 1wtj h ALA 96 N 0.22 0.39 -0.72 5.36 0.00 -1.26 -3.29 119.26 119.95 1wtj h ALA 96 Ca -0.46 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.01 1wtj h ALA 96 Cb 1.23 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1wtj h ALA 96 CO 0.56 0.53 0.45 1.96 0.00 0.00 0.00 179.25 182.75 1wtj h GLN 97 N 0.48 0.84 -0.03 0.00 7.50 -1.94 -0.33 115.11 121.64 1wtj h GLN 97 Ca 0.02 -0.05 -0.06 0.00 0.50 0.00 0.00 58.65 59.05 1wtj h GLN 97 Cb 1.04 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.37 1wtj h GLN 97 CO 0.10 0.56 -0.27 -1.35 -1.50 0.00 0.00 178.83 176.36 1wtj h PRO 98 N 0.87 0.05 -0.26 1.46 0.11 -1.94 -0.13 132.00 132.15 1wtj h PRO 98 Ca 0.30 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.31 1wtj h PRO 98 Cb 0.05 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1wtj h PRO 98 CO -0.12 0.32 -0.15 0.00 -0.21 0.00 0.00 178.00 177.84 1wtj h ALA 99 N 1.68 0.37 -0.50 -0.75 0.00 -1.34 -1.44 119.26 117.28 1wtj h ALA 99 Ca 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wtj h ALA 99 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wtj h ALA 99 CO 0.04 0.26 0.28 1.25 0.00 0.00 0.00 179.25 181.08 1wtj h LEU 100 N 0.28 0.61 -1.17 0.00 5.85 -0.72 -2.66 115.31 117.50 1wtj h LEU 100 Ca 0.05 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1wtj h LEU 100 Cb 0.67 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1wtj h LEU 100 CO 0.04 0.51 0.41 0.00 -0.34 0.00 0.00 178.44 179.06 1wtj h ALA 101 N 1.13 1.37 -0.01 1.25 0.00 -0.88 0.12 119.26 122.24 1wtj h ALA 101 Ca 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1wtj h ALA 101 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1wtj h ALA 101 CO -0.03 0.53 -0.35 0.00 0.00 0.00 0.00 179.25 179.39 1wtj h ALA 102 N 1.46 1.40 -0.01 0.00 0.00 -0.93 -3.14 119.26 118.03 1wtj h ALA 102 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wtj h ALA 102 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wtj h ALA 102 CO -0.04 0.45 -0.58 0.00 0.00 0.00 0.00 179.25 179.08 1wtj n ALA 103 N -2.47 3.77 -0.09 0.00 0.00 -0.94 -4.68 120.51 116.10 1wtj n ALA 103 Ca -0.02 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.76 1wtj n ALA 103 Cb 0.39 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 1wtj n ALA 103 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wtj h ARG 104 N 1.52 -0.21 -0.50 0.00 2.43 -0.93 -0.45 114.38 116.25 1wtj h ARG 104 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1wtj h ARG 104 Cb 0.61 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1wtj h ARG 104 CO 0.00 -0.14 0.32 0.66 -1.51 0.00 0.00 179.97 179.30 1wtj h SER 105 N -0.21 0.54 -0.66 -3.80 4.64 -1.83 -0.87 113.55 111.35 1wtj h SER 105 Ca 0.17 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1wtj h SER 105 Cb 0.48 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1wtj h SER 105 CO -0.47 0.39 0.20 0.25 -0.87 0.00 0.00 176.83 176.33 1wtj h LEU 106 N 0.65 0.97 -0.50 5.97 5.85 -1.80 -1.32 115.31 125.12 1wtj h LEU 106 Ca 0.19 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1wtj h LEU 106 Cb -0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1wtj h LEU 106 CO -0.06 0.93 0.28 0.25 -0.34 0.00 0.00 178.44 179.50 1wtj h LEU 107 N 0.97 0.63 -0.58 2.25 5.85 -0.66 -1.13 115.31 122.62 1wtj h LEU 107 Ca 0.21 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1wtj h LEU 107 Cb 0.31 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1wtj h LEU 107 CO -0.01 0.53 0.00 0.40 -0.34 0.00 0.00 178.44 179.03 1wtj h ILE 108 N 0.67 1.27 -0.45 4.05 2.04 -0.99 -0.26 117.51 123.83 1wtj h ILE 108 Ca 0.18 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1wtj h ILE 108 Cb 0.04 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1wtj h ILE 108 CO -0.03 0.41 0.29 0.44 0.00 0.00 0.00 178.15 179.27 1wtj h ASP 109 N 0.92 0.51 -0.51 1.72 3.32 -0.94 -0.75 116.42 120.68 1wtj h ASP 109 Ca 0.17 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1wtj h ASP 109 Cb 0.55 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1wtj h ASP 109 CO 0.03 0.37 0.04 0.11 -1.72 0.00 0.00 179.24 178.07 1wtj h LYS 110 N 0.60 0.87 -0.57 3.56 1.57 -1.01 -0.80 116.57 120.79 1wtj h LYS 110 Ca 0.17 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1wtj h LYS 110 Cb -0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1wtj h LYS 110 CO -0.04 0.88 0.36 0.00 -0.57 0.00 0.00 179.45 180.08 1wtj h ALA 111 N 0.96 0.72 -0.24 3.86 0.00 -0.69 0.26 119.26 124.13 1wtj h ALA 111 Ca 0.15 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1wtj h ALA 111 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wtj h ALA 111 CO 0.02 0.18 -0.50 0.00 0.00 0.00 0.00 179.25 178.94 1wtj h ARG 112 N 0.77 0.67 0.08 0.00 3.08 -1.04 0.87 114.38 118.81 1wtj h ARG 112 Ca 0.21 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 1wtj h ARG 112 Cb -0.06 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1wtj h ARG 112 CO -0.04 1.01 -0.04 1.03 -1.07 0.00 0.00 179.97 180.86 1wtj h SER 113 N 0.53 -0.09 1.36 7.04 0.87 -0.86 -3.36 113.55 119.03 1wtj h SER 113 Ca 0.02 -0.51 -0.08 0.00 -1.23 0.00 0.00 61.79 59.98 1wtj h SER 113 Cb 1.06 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1wtj h SER 113 CO 0.10 0.57 -0.67 0.00 -0.53 0.00 0.00 176.83 176.30 1wtj h ALA 114 N -0.17 0.71 0.00 6.23 0.00 -0.60 -3.48 119.26 121.95 1wtj h ALA 114 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wtj h ALA 114 Cb 0.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wtj h ALA 114 CO 0.02 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1wtj n GLY 115 N 1.23 1.81 3.41 0.00 0.00 0.29 -5.02 105.19 106.91 1wtj n GLY 115 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1wtj n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wtj s VAL 116 N -1.31 0.03 -0.01 1.61 0.11 -1.15 -0.96 120.40 118.72 1wtj s VAL 116 Ca 0.00 -0.21 -0.18 0.00 -2.93 0.00 0.00 61.98 58.66 1wtj s VAL 116 Cb 0.00 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1wtj s VAL 116 CO 0.00 -0.11 0.40 0.00 -3.33 0.00 0.00 175.10 172.05 1wtj s ALA 117 N -2.03 -1.01 0.03 1.54 0.00 -0.23 -4.45 121.76 115.60 1wtj s ALA 117 Ca -0.08 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.46 1wtj s ALA 117 Cb -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1wtj s ALA 117 CO 0.02 -0.32 -0.17 0.42 0.00 0.00 0.00 175.76 175.71 1wtj s ILE 118 N -1.51 2.85 -0.17 0.00 1.01 -0.38 -1.17 121.20 121.82 1wtj s ILE 118 Ca -0.12 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.44 1wtj s ILE 118 Cb -0.03 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.28 1wtj s ILE 118 CO 0.04 0.38 -0.16 -0.22 0.00 0.00 0.00 174.94 174.98 1wtj s LEU 119 N -1.33 2.05 -0.37 2.97 2.96 0.07 -0.76 118.68 124.27 1wtj s LEU 119 Ca 0.14 -0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1wtj s LEU 119 Cb -0.11 -1.33 0.09 0.00 0.50 0.00 0.00 46.19 45.34 1wtj s LEU 119 CO 0.05 -0.05 0.13 0.00 -1.32 0.00 0.00 176.35 175.15 1wtj s ALA 120 N 1.37 3.03 -0.13 5.97 0.00 0.15 -1.23 121.76 130.92 1wtj s ALA 120 Ca 0.03 -2.25 -0.16 0.00 0.00 0.00 0.00 51.96 49.58 1wtj s ALA 120 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1wtj s ALA 120 CO -0.11 -1.61 0.38 0.42 0.00 0.00 0.00 175.76 174.84 1wtj s ILE 121 N 1.18 5.24 0.17 0.00 1.01 0.23 -1.41 121.20 127.62 1wtj s ILE 121 Ca 0.04 0.74 0.08 0.00 0.00 0.00 0.00 60.65 61.51 1wtj s ILE 121 Cb -0.21 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1wtj s ILE 121 CO -0.03 0.37 -0.17 0.00 0.00 0.00 0.00 174.94 175.12 1wtj s ARG 122 N 0.44 1.25 -1.29 2.79 1.70 -0.55 -0.93 118.95 122.37 1wtj s ARG 122 Ca 0.21 -1.43 -0.01 0.00 -0.47 0.00 0.00 55.73 54.03 1wtj s ARG 122 Cb -0.14 -1.22 0.00 0.00 -0.57 0.00 0.00 34.95 33.02 1wtj s ARG 122 CO 0.07 0.24 0.09 0.41 -1.08 0.00 0.00 175.30 175.02 1wtj n GLY 123 N 0.16 -0.25 3.72 3.88 0.00 -0.67 -0.87 105.19 111.15 1wtj n GLY 123 Ca -0.12 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 1wtj n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wtj s SER 124 N -2.40 5.05 -0.23 1.61 1.04 -1.01 -1.50 113.70 116.26 1wtj s SER 124 Ca 0.04 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 1wtj s SER 124 Cb -0.02 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.93 1wtj s SER 124 CO 0.05 0.07 -0.05 -1.00 0.98 0.00 0.00 173.24 173.29 1wtj s HIS 125 N -1.80 2.97 -0.23 5.02 3.76 -0.29 -0.84 115.29 123.89 1wtj s HIS 125 Ca 0.29 -1.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.07 1wtj s HIS 125 Cb -0.09 -2.09 0.02 0.00 1.11 0.00 0.00 32.58 31.53 1wtj s HIS 125 CO 0.21 -0.61 -0.10 -1.58 -0.85 0.00 0.00 174.74 171.80 1wtj s HIS 126 N 1.43 3.00 -0.27 1.40 5.04 -1.24 -0.75 115.29 123.90 1wtj s HIS 126 Ca 0.04 -1.61 0.14 0.00 -1.54 0.00 0.00 55.06 52.09 1wtj s HIS 126 Cb -0.15 -2.01 0.48 0.00 0.04 0.00 0.00 32.58 30.94 1wtj s HIS 126 CO -0.04 -0.75 1.16 0.34 -2.34 0.00 0.00 174.74 173.10 1wtj n PHE 127 N 4.64 2.04 -4.05 3.88 7.35 -1.26 -4.47 117.46 125.59 1wtj n PHE 127 Ca -0.18 -2.15 -0.12 0.00 -0.76 0.00 0.00 57.45 54.24 1wtj n PHE 127 Cb 0.48 -0.29 -0.04 0.00 0.35 0.00 0.00 39.48 39.98 1wtj n PHE 127 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wtj n ALA 128 N -0.65 0.05 -1.36 3.13 0.00 -1.26 -4.97 120.51 115.44 1wtj n ALA 128 Ca 0.28 -1.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.08 1wtj n ALA 128 Cb 0.90 1.07 0.08 0.00 0.00 0.00 0.00 19.45 21.49 1wtj n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wtj s ALA 129 N -2.69 2.37 -0.13 0.00 0.00 -1.26 -4.99 121.76 115.06 1wtj s ALA 129 Ca 0.25 0.19 0.18 0.00 0.00 0.00 0.00 51.96 52.59 1wtj s ALA 129 Cb 0.00 -3.24 -0.24 0.00 0.00 0.00 0.00 23.12 19.65 1wtj s ALA 129 CO 0.18 -1.61 0.41 -0.11 0.00 0.00 0.00 175.76 174.62 1wtj n LEU 130 N -3.41 0.28 -0.03 0.00 7.94 -1.26 -4.39 117.00 116.13 1wtj n LEU 130 Ca 0.08 0.13 0.13 0.00 -1.11 0.00 0.00 56.01 55.24 1wtj n LEU 130 Cb 0.53 0.24 0.55 0.00 0.53 0.00 0.00 43.42 45.28 1wtj n LEU 130 CO 0.54 0.27 1.18 4.11 -1.11 0.00 0.00 177.39 182.38 1wtj h TRP 131 N 0.00 0.30 0.00 1.96 5.08 -1.94 -0.79 115.95 120.56 1wtj h TRP 131 Ca -0.30 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.68 1wtj h TRP 131 Cb 1.75 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 27.81 1wtj h TRP 131 CO 0.00 0.14 -0.02 -1.35 -1.28 0.00 0.00 178.44 175.93 1wtj h PRO 132 N 0.28 0.00 0.00 0.12 0.11 -1.99 -1.47 132.00 129.06 1wtj h PRO 132 Ca 0.25 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 1wtj h PRO 132 Cb 0.59 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 1wtj h PRO 132 CO -0.05 0.02 -0.55 -0.44 -0.21 0.00 0.00 178.00 176.76 1wtj h ASP 133 N 0.00 0.00 0.00 -2.05 3.32 -1.41 -3.36 116.42 112.91 1wtj h ASP 133 Ca -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1wtj h ASP 133 Cb 0.15 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1wtj h ASP 133 CO 0.00 0.55 -2.14 1.33 -1.72 0.00 0.00 179.24 177.27 1wtj n VAL 134 N -3.26 0.88 -0.16 -1.35 0.24 -0.88 -4.64 118.33 109.15 1wtj n VAL 134 Ca 0.02 -0.67 -0.03 0.00 -2.04 0.00 0.00 64.34 61.61 1wtj n VAL 134 Cb 0.74 -0.35 0.04 0.00 -1.47 0.00 0.00 33.84 32.80 1wtj n VAL 134 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1wtj h GLU 135 N 0.00 0.00 -0.85 7.34 4.81 -1.43 -2.38 114.58 122.07 1wtj h GLU 135 Ca -0.35 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.01 1wtj h GLU 135 Cb 1.76 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.07 1wtj h GLU 135 CO 0.02 0.00 0.55 -1.35 -0.73 0.00 0.00 179.01 177.50 1wtj h PRO 136 N 0.01 0.66 -0.45 0.92 0.11 -1.82 -0.68 132.00 130.74 1wtj h PRO 136 Ca 0.24 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 1wtj h PRO 136 Cb 0.36 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1wtj h PRO 136 CO -0.51 0.44 -0.07 0.74 -0.21 0.00 0.00 178.00 178.39 1wtj h PHE 137 N 0.68 0.93 -0.25 0.65 0.04 -1.72 -2.75 116.94 114.52 1wtj h PHE 137 Ca 0.41 -0.19 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 1wtj h PHE 137 Cb 0.64 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1wtj h PHE 137 CO -0.00 0.92 -0.25 0.00 -0.60 0.00 0.00 178.31 178.38 1wtj h ALA 138 N 0.88 1.12 0.00 2.45 0.00 -1.18 -0.75 119.26 121.78 1wtj h ALA 138 Ca 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1wtj h ALA 138 Cb 0.60 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wtj h ALA 138 CO 0.04 0.55 -0.06 0.93 0.00 0.00 0.00 179.25 180.70 1wtj h GLU 139 N 0.42 0.00 -0.69 0.00 5.08 -0.94 -1.67 114.58 116.78 1wtj h GLU 139 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1wtj h GLU 139 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1wtj h GLU 139 CO 0.05 0.06 0.00 1.04 -1.00 0.00 0.00 179.01 179.16 1wtj n GLN 140 N -3.38 3.05 -0.71 2.33 6.02 -0.69 -4.94 117.38 119.06 1wtj n GLN 140 Ca -0.02 -2.64 0.00 0.00 -0.01 0.00 0.00 57.00 54.34 1wtj n GLN 140 Cb 0.21 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1wtj n GLN 140 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wtj n GLY 141 N 1.42 0.64 3.76 1.08 0.00 -0.63 -5.06 105.19 106.41 1wtj n GLY 141 Ca 0.24 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1wtj n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wtj s LEU 142 N 0.00 3.62 -0.14 0.99 1.43 -0.37 -4.68 118.68 119.53 1wtj s LEU 142 Ca 0.00 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1wtj s LEU 142 Cb 0.00 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1wtj s LEU 142 CO 0.00 -0.00 0.12 -0.69 0.23 0.00 0.00 176.35 176.00 1wtj s VAL 143 N -2.09 5.30 0.00 -1.59 1.01 -0.15 -3.01 120.40 119.87 1wtj s VAL 143 Ca 0.32 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1wtj s VAL 143 Cb -0.08 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1wtj s VAL 143 CO 0.23 0.56 -0.07 0.00 0.00 0.00 0.00 175.10 175.82 1wtj s ALA 144 N -0.54 0.54 -0.02 5.51 0.00 -0.29 -0.12 121.76 126.84 1wtj s ALA 144 Ca 0.12 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1wtj s ALA 144 Cb -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1wtj s ALA 144 CO 0.02 0.11 -0.13 -1.17 0.00 0.00 0.00 175.76 174.59 1wtj s LEU 145 N -0.37 1.94 0.02 0.00 2.96 -0.09 -0.80 118.68 122.35 1wtj s LEU 145 Ca 0.01 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1wtj s LEU 145 Cb -0.04 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.91 1wtj s LEU 145 CO -0.00 0.14 0.09 -0.55 -1.32 0.00 0.00 176.35 174.70 1wtj s SER 146 N -0.11 0.14 -0.02 3.68 0.15 -0.20 -0.44 113.70 116.90 1wtj s SER 146 Ca 0.01 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.21 1wtj s SER 146 Cb -0.08 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1wtj s SER 146 CO 0.00 -0.42 0.07 -0.04 1.20 0.00 0.00 173.24 174.05 1wtj s MET 147 N -1.98 0.14 -0.07 5.44 -1.94 -0.68 -0.97 119.30 119.24 1wtj s MET 147 Ca -0.10 0.00 -0.06 0.00 -1.71 0.00 0.00 55.69 53.82 1wtj s MET 147 Cb -0.05 0.06 0.02 0.00 2.01 0.00 0.00 34.83 36.87 1wtj s MET 147 CO -0.02 -0.02 0.18 0.54 -0.01 0.00 0.00 175.02 175.69 1wtj s VAL 148 N -0.21 -0.00 0.29 -6.03 0.11 -1.17 -1.65 120.40 111.74 1wtj s VAL 148 Ca -0.03 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.10 1wtj s VAL 148 Cb -0.02 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1wtj s VAL 148 CO 0.00 0.00 0.27 0.54 -3.33 0.00 0.00 175.10 172.58 1wtj s ASN 149 N 0.14 5.54 0.00 3.54 4.22 -1.26 -3.00 114.94 124.11 1wtj s ASN 149 Ca -0.00 -0.31 0.00 0.00 -2.14 0.00 0.00 52.86 50.41 1wtj s ASN 149 Cb -0.02 -1.27 0.00 0.00 1.28 0.00 0.00 41.25 41.25 1wtj s ASN 149 CO -0.00 -0.19 0.00 -1.54 -2.04 0.00 0.00 177.10 173.33 1wtj n SER 150 N -1.31 0.00 -4.96 3.54 3.41 -1.26 -4.73 113.62 108.31 1wtj n SER 150 Ca -0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.33 1wtj n SER 150 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1wtj n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wtj s MET 151 N 4.74 3.45 0.18 4.33 0.23 -1.26 -4.08 119.30 126.90 1wtj s MET 151 Ca 0.00 -0.64 -0.33 0.00 -1.03 0.00 0.00 55.69 53.69 1wtj s MET 151 Cb 0.00 -2.88 -0.13 0.00 -1.53 0.00 0.00 34.83 30.29 1wtj s MET 151 CO 0.00 0.41 1.64 2.41 -2.03 0.00 0.00 175.02 177.46 1wtj n THR 152 N -1.22 0.02 -1.25 3.16 -1.04 -1.07 -4.10 114.28 108.78 1wtj n THR 152 Ca -0.08 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1wtj n THR 152 Cb 0.56 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 1wtj n THR 152 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wtj s VAL 154 N 0.00 2.41 -0.29 0.00 1.01 0.21 0.20 120.40 123.95 1wtj s VAL 154 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 1wtj s VAL 154 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1wtj s VAL 154 CO 0.00 0.55 0.84 -0.69 0.00 0.00 0.00 175.10 175.81 1wtj s VAL 155 N 0.17 4.77 0.66 2.92 1.01 -0.76 -0.63 120.40 128.54 1wtj s VAL 155 Ca -0.12 1.39 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 1wtj s VAL 155 Cb -0.16 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1wtj s VAL 155 CO 0.06 -0.22 1.21 -2.65 0.00 0.00 0.00 175.10 173.50 1wtj n PRO 156 N 6.23 0.95 -1.67 2.72 -0.02 -1.26 -4.33 135.00 137.61 1wtj n PRO 156 Ca 0.05 0.38 -0.47 0.00 -2.02 0.00 0.00 63.50 61.45 1wtj n PRO 156 Cb 0.48 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1wtj n PRO 156 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1wtj n HIS 157 N -2.06 2.28 -0.38 6.00 -0.00 -1.26 -0.73 115.22 119.06 1wtj n HIS 157 Ca 0.15 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 1wtj n HIS 157 Cb 0.48 -2.58 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 1wtj n HIS 157 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wtj n GLY 158 N 3.73 1.51 3.98 1.57 0.00 -1.26 -5.04 105.19 109.68 1wtj n GLY 158 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1wtj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj s ALA 159 N -3.12 3.87 -0.06 4.61 0.00 0.09 -5.05 121.76 122.11 1wtj s ALA 159 Ca 0.00 -1.39 0.10 0.00 0.00 0.00 0.00 51.96 50.68 1wtj s ALA 159 Cb 0.00 -2.07 -0.15 0.00 0.00 0.00 0.00 23.12 20.90 1wtj s ALA 159 CO 0.00 -0.86 0.15 2.89 0.00 0.00 0.00 175.76 177.94 1wtj n ARG 160 N -2.42 1.28 -4.42 0.00 1.85 -1.26 -4.84 116.66 106.85 1wtj n ARG 160 Ca 0.09 -0.06 -0.25 0.00 -1.00 0.00 0.00 57.85 56.63 1wtj n ARG 160 Cb 0.60 -1.27 -0.11 0.00 -1.05 0.00 0.00 32.46 30.63 1wtj n ARG 160 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1wtj s GLN 161 N -2.53 1.52 0.60 2.89 -1.52 -1.26 -4.94 119.66 114.42 1wtj s GLN 161 Ca -0.05 -1.57 -0.17 0.00 -1.95 0.00 0.00 55.36 51.63 1wtj s GLN 161 Cb 0.05 -1.74 -0.03 0.00 -0.22 0.00 0.00 33.01 31.07 1wtj s GLN 161 CO 0.45 0.36 1.10 -1.25 -0.25 0.00 0.00 175.29 175.70 1wtj s PRO 162 N -2.89 3.12 0.01 2.91 0.04 -1.26 -4.28 135.00 132.65 1wtj s PRO 162 Ca 0.22 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1wtj s PRO 162 Cb -0.07 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wtj s PRO 162 CO 0.10 -0.99 0.00 -0.11 0.04 0.00 0.00 177.00 176.04 1wtj n LEU 163 N -1.97 -0.08 -4.82 -3.56 7.94 0.19 -4.90 117.00 109.81 1wtj n LEU 163 Ca 0.10 0.02 -0.31 0.00 -1.11 0.00 0.00 56.01 54.72 1wtj n LEU 163 Cb 0.52 0.35 0.06 0.00 0.53 0.00 0.00 43.42 44.88 1wtj n LEU 163 CO 0.46 -0.49 0.71 -0.36 -1.11 0.00 0.00 177.39 176.60 1wtj s PHE 164 N -2.00 3.10 0.27 1.96 0.08 -0.92 -4.28 117.98 116.19 1wtj s PHE 164 Ca 0.00 1.34 -0.01 0.00 0.12 0.00 0.00 56.93 58.38 1wtj s PHE 164 Cb 0.00 -2.92 0.05 0.00 -0.57 0.00 0.00 43.02 39.58 1wtj s PHE 164 CO 0.00 -1.30 0.36 0.41 -0.10 0.00 0.00 175.22 174.59 1wtj n GLY 165 N -2.10 0.38 0.29 4.36 0.00 -1.26 -0.62 105.19 106.24 1wtj n GLY 165 Ca 0.07 -1.93 0.18 0.00 0.00 0.00 0.00 46.02 44.35 1wtj n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj h THR 166 N -0.60 0.03 -5.76 2.61 1.03 -1.92 -3.41 112.91 104.89 1wtj h THR 166 Ca -0.12 -0.43 -0.31 0.00 -0.01 0.00 0.00 66.41 65.54 1wtj h THR 166 Cb 0.42 1.41 0.01 0.00 -1.07 0.00 0.00 68.15 68.92 1wtj h THR 166 CO 0.12 0.01 -0.78 0.59 -0.01 0.00 0.00 175.52 175.44 1wtj n ASN 167 N -3.11 -3.39 -4.83 0.00 3.02 -1.26 -1.77 115.26 103.93 1wtj n ASN 167 Ca -0.00 -0.45 -0.32 0.00 -0.03 0.00 0.00 54.58 53.78 1wtj n ASN 167 Cb 0.26 -1.07 0.01 0.00 -0.61 0.00 0.00 39.78 38.37 1wtj n ASN 167 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wtj s PRO 168 N -3.08 3.41 -0.06 3.52 0.04 -1.16 -2.75 135.00 134.91 1wtj s PRO 168 Ca 0.10 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.20 1wtj s PRO 168 Cb -0.01 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wtj s PRO 168 CO 0.60 -0.73 -0.16 0.42 0.04 0.00 0.00 177.00 177.17 1wtj s ILE 169 N -2.75 1.42 0.09 0.56 1.01 -0.05 -3.02 121.20 118.46 1wtj s ILE 169 Ca 0.60 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.65 1wtj s ILE 169 Cb -0.13 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1wtj s ILE 169 CO 0.43 0.42 -0.21 0.00 0.00 0.00 0.00 174.94 175.58 1wtj s ALA 170 N 0.36 1.77 -0.03 9.38 0.00 -0.14 -1.33 121.76 131.76 1wtj s ALA 170 Ca -0.11 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 1wtj s ALA 170 Cb -0.15 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1wtj s ALA 170 CO 0.04 0.36 0.07 0.12 0.00 0.00 0.00 175.76 176.36 1wtj s PHE 171 N -1.07 -0.08 -0.02 0.00 5.36 -0.28 -1.04 117.98 120.86 1wtj s PHE 171 Ca 0.06 0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.26 1wtj s PHE 171 Cb -0.10 -0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 1wtj s PHE 171 CO 0.04 -0.05 -0.02 0.20 -1.46 0.00 0.00 175.22 173.92 1wtj s GLY 172 N 0.23 0.24 -0.05 13.12 0.00 0.02 -1.50 107.32 119.38 1wtj s GLY 172 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.62 1wtj s GLY 172 CO -0.01 0.21 0.17 0.00 0.00 0.00 0.00 173.10 173.47 1wtj s ALA 173 N 0.45 -0.41 0.59 3.20 0.00 -0.04 -1.14 121.76 124.42 1wtj s ALA 173 Ca -0.05 0.33 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 1wtj s ALA 173 Cb -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1wtj s ALA 173 CO -0.01 -0.12 1.03 -1.25 0.00 0.00 0.00 175.76 175.41 1wtj s PRO 174 N -0.30 3.53 -0.01 0.00 0.04 -1.26 -0.35 135.00 136.65 1wtj s PRO 174 Ca -0.04 0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1wtj s PRO 174 Cb -0.03 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1wtj s PRO 174 CO 0.01 -0.62 0.00 -0.98 0.04 0.00 0.00 177.00 175.45 1wtj s ARG 175 N -4.48 0.03 0.40 4.56 1.70 -1.26 -4.60 118.95 115.31 1wtj s ARG 175 Ca 0.59 0.03 0.09 0.00 -0.47 0.00 0.00 55.73 55.98 1wtj s ARG 175 Cb -0.12 -0.11 0.89 0.00 -0.57 0.00 0.00 34.95 35.04 1wtj s ARG 175 CO 0.42 -0.04 1.99 0.00 -1.08 0.00 0.00 175.30 176.59 1wtj h ALA 176 N 6.45 1.83 -0.38 7.88 0.00 -1.62 -3.21 119.26 130.21 1wtj h ALA 176 Ca -0.30 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 1wtj h ALA 176 Cb 1.18 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1wtj h ALA 176 CO 0.50 0.07 -0.12 0.41 0.00 0.00 0.00 179.25 180.11 1wtj n GLY 177 N -1.48 5.05 1.46 0.00 0.00 -1.26 -5.05 105.19 103.91 1wtj n GLY 177 Ca 0.08 -1.36 0.01 0.00 0.00 0.00 0.00 46.02 44.76 1wtj n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wtj n GLY 178 N -1.10 0.44 3.77 -0.02 0.00 -1.21 -5.16 105.19 101.92 1wtj n GLY 178 Ca 0.34 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1wtj n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wtj s GLU 179 N -2.00 2.25 0.46 1.61 0.41 -1.26 -4.48 118.70 115.69 1wtj s GLU 179 Ca 0.11 1.13 -0.23 0.00 -0.41 0.00 0.00 54.97 55.57 1wtj s GLU 179 Cb -0.00 -1.90 -0.09 0.00 -1.78 0.00 0.00 34.13 30.36 1wtj s GLU 179 CO -0.00 -1.64 1.06 -2.30 -0.49 0.00 0.00 175.26 171.89 1wtj n PRO 180 N -3.51 1.38 -2.84 0.39 -0.02 -1.26 -4.63 135.00 124.51 1wtj n PRO 180 Ca 0.09 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1wtj n PRO 180 Cb 0.53 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 1wtj n PRO 180 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wtj s ILE 181 N -1.31 4.81 -0.02 4.25 1.01 0.52 -4.90 121.20 125.56 1wtj s ILE 181 Ca 0.66 1.68 -0.01 0.00 0.00 0.00 0.00 60.65 62.98 1wtj s ILE 181 Cb -0.51 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 37.81 1wtj s ILE 181 CO 0.55 -0.08 0.04 -0.69 0.00 0.00 0.00 174.94 174.76 1wtj s VAL 182 N 2.82 -0.02 0.10 2.92 1.01 -1.16 -0.86 120.40 125.21 1wtj s VAL 182 Ca 0.37 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1wtj s VAL 182 Cb -0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1wtj s VAL 182 CO 0.08 0.04 -0.10 0.72 0.00 0.00 0.00 175.10 175.83 1wtj s PHE 183 N 0.46 1.04 -0.27 5.22 -0.12 -0.56 -2.69 117.98 121.07 1wtj s PHE 183 Ca -0.04 -0.66 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 1wtj s PHE 183 Cb -0.05 -0.57 0.14 0.00 -0.63 0.00 0.00 43.02 41.90 1wtj s PHE 183 CO -0.01 -0.01 0.33 0.34 -0.05 0.00 0.00 175.22 175.82 1wtj s ASP 184 N -2.44 1.08 -0.05 1.98 2.15 -1.26 -1.12 116.67 117.00 1wtj s ASP 184 Ca 0.05 -0.44 0.05 0.00 0.43 0.00 0.00 52.55 52.64 1wtj s ASP 184 Cb -0.03 0.75 -0.01 0.00 -0.30 0.00 0.00 42.92 43.33 1wtj s ASP 184 CO -0.00 -0.36 -0.22 -1.48 -0.17 0.00 0.00 175.17 172.94 1wtj s LEU 185 N 2.44 2.00 0.40 -1.34 0.05 -0.44 -4.95 118.68 116.83 1wtj s LEU 185 Ca 0.10 -0.44 -0.24 0.00 0.05 0.00 0.00 54.13 53.60 1wtj s LEU 185 Cb -0.14 -1.20 -0.09 0.00 -2.05 0.00 0.00 46.19 42.71 1wtj s LEU 185 CO -0.27 0.20 1.02 0.00 -0.55 0.00 0.00 176.35 176.75 1wtj s ALA 186 N -0.06 3.08 -1.89 1.48 0.00 -1.26 -0.87 121.76 122.23 1wtj s ALA 186 Ca -0.04 0.63 0.29 0.00 0.00 0.00 0.00 51.96 52.84 1wtj s ALA 186 Cb -0.13 -3.24 1.25 0.00 0.00 0.00 0.00 23.12 20.99 1wtj s ALA 186 CO 0.03 -0.13 1.86 0.25 0.00 0.00 0.00 175.76 177.77 1wtj n THR 187 N -0.13 0.00 -2.82 0.00 -2.24 -0.73 -4.78 114.28 103.59 1wtj n THR 187 Ca 0.05 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 1wtj n THR 187 Cb 0.50 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1wtj n THR 187 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wtj s SER 188 N -2.31 6.49 0.31 3.42 1.04 -1.18 -0.92 113.70 120.54 1wtj s SER 188 Ca 0.33 1.12 0.07 0.00 0.48 0.00 0.00 55.95 57.95 1wtj s SER 188 Cb 0.20 -2.32 0.81 0.00 0.10 0.00 0.00 66.02 64.81 1wtj s SER 188 CO 0.43 -0.43 1.72 0.00 0.98 0.00 0.00 173.24 175.95 1wtj h ALA 189 N 1.13 1.63 -3.26 5.32 0.00 -0.21 -3.39 119.26 120.49 1wtj h ALA 189 Ca -0.47 0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1wtj h ALA 189 Cb 1.19 0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.81 1wtj h ALA 189 CO 0.64 -0.28 -0.73 -1.50 0.00 0.00 0.00 179.25 177.38 1wtj s ILE 190 N -5.83 0.40 0.33 0.00 2.07 -1.26 -4.89 121.20 112.02 1wtj s ILE 190 Ca -0.11 -0.87 -0.29 0.00 -1.41 0.00 0.00 60.65 57.98 1wtj s ILE 190 Cb 0.26 -0.46 -0.10 0.00 0.13 0.00 0.00 42.46 42.29 1wtj s ILE 190 CO 0.79 -0.32 1.35 0.00 -1.91 0.00 0.00 174.94 174.85 1wtj s ALA 191 N -1.15 3.52 0.27 1.50 0.00 -1.26 -4.90 121.76 119.75 1wtj s ALA 191 Ca -0.09 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.18 1wtj s ALA 191 Cb -0.08 -3.51 0.49 0.00 0.00 0.00 0.00 23.12 20.02 1wtj s ALA 191 CO -0.00 -0.71 1.85 1.25 0.00 0.00 0.00 175.76 178.14 1wtj h HIS 192 N 3.51 1.12 -0.58 0.00 2.76 -1.95 -1.35 115.15 118.67 1wtj h HIS 192 Ca -0.49 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 57.76 1wtj h HIS 192 Cb 1.23 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 1wtj h HIS 192 CO 0.56 0.49 0.38 0.78 -1.30 0.00 0.00 177.93 178.84 1wtj h GLY 193 N 1.02 0.73 2.00 5.26 0.00 -1.93 -0.56 103.07 109.59 1wtj h GLY 193 Ca 0.47 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1wtj h GLY 193 CO -0.24 0.21 -0.20 -0.55 0.00 0.00 0.00 176.54 175.76 1wtj h ASP 194 N 0.62 0.00 -0.28 0.19 3.32 -1.61 -2.18 116.42 116.48 1wtj h ASP 194 Ca 0.24 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 1wtj h ASP 194 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1wtj h ASP 194 CO -0.07 0.20 -0.39 0.58 -1.72 0.00 0.00 179.24 177.84 1wtj h VAL 195 N 0.00 1.28 -0.54 -1.35 2.07 -0.91 -1.85 116.25 114.95 1wtj h VAL 195 Ca -0.00 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 65.86 1wtj h VAL 195 Cb 0.84 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1wtj h VAL 195 CO 0.03 0.52 -0.02 1.56 0.02 0.00 0.00 177.57 179.67 1wtj h GLN 196 N 0.68 0.97 -0.31 1.57 4.20 -1.12 -1.54 115.11 119.57 1wtj h GLN 196 Ca 0.06 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.46 1wtj h GLN 196 Cb 0.96 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1wtj h GLN 196 CO 0.09 0.99 0.17 0.82 -0.67 0.00 0.00 178.83 180.23 1wtj h ILE 197 N 0.84 1.02 -0.74 2.54 1.08 -1.27 -0.18 117.51 120.81 1wtj h ILE 197 Ca 0.15 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 1wtj h ILE 197 Cb 0.56 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 1wtj h ILE 197 CO 0.03 0.06 0.49 0.00 -0.69 0.00 0.00 178.15 178.04 1wtj h ALA 198 N 1.14 0.94 -0.54 1.87 0.00 -1.14 -0.15 119.26 121.37 1wtj h ALA 198 Ca 0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1wtj h ALA 198 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1wtj h ALA 198 CO -0.06 0.34 0.07 0.00 0.00 0.00 0.00 179.25 179.59 1wtj h ALA 199 N 1.28 1.09 -0.44 0.00 0.00 -0.85 -1.21 119.26 119.13 1wtj h ALA 199 Ca 0.27 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1wtj h ALA 199 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1wtj h ALA 199 CO -0.07 0.59 -0.23 -0.09 0.00 0.00 0.00 179.25 179.45 1wtj h ARG 200 N 0.83 0.94 -0.20 0.00 9.65 -0.42 -2.61 114.38 122.56 1wtj h ARG 200 Ca 0.17 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1wtj h ARG 200 Cb 0.40 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1wtj h ARG 200 CO 0.01 1.08 0.00 0.39 2.80 0.00 0.00 179.97 184.25 1wtj n GLU 201 N -4.15 1.41 -4.04 0.20 1.02 -0.13 -4.91 120.64 110.04 1wtj n GLU 201 Ca -0.01 -0.61 -0.33 0.00 -0.02 0.00 0.00 57.16 56.19 1wtj n GLU 201 Cb 0.46 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1wtj n GLU 201 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wtj n GLY 202 N 0.74 -0.48 3.52 0.62 0.00 -0.66 -4.98 105.19 103.95 1wtj n GLY 202 Ca 0.06 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 1wtj n GLY 202 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wtj s ARG 203 N -6.75 1.77 0.47 1.61 1.70 -0.55 -5.03 118.95 112.17 1wtj s ARG 203 Ca 0.70 -1.97 -0.03 0.00 -0.47 0.00 0.00 55.73 53.97 1wtj s ARG 203 Cb -0.37 -1.33 -0.02 0.00 -0.57 0.00 0.00 34.95 32.67 1wtj s ARG 203 CO 0.87 -0.05 0.73 -0.51 -1.08 0.00 0.00 175.30 175.26 1wtj s LEU 204 N -3.58 3.62 0.30 -1.89 1.43 -1.26 -4.49 118.68 112.81 1wtj s LEU 204 Ca 0.34 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.11 1wtj s LEU 204 Cb 0.07 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1wtj s LEU 204 CO 0.16 -0.66 0.27 -0.76 0.23 0.00 0.00 176.35 175.59 1wtj s LEU 205 N -4.66 3.75 0.75 1.79 1.43 0.20 -5.01 118.68 116.94 1wtj s LEU 205 Ca 0.48 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 1wtj s LEU 205 Cb -0.10 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.83 1wtj s LEU 205 CO 0.41 -0.22 1.14 -2.16 0.23 0.00 0.00 176.35 175.74 1wtj s PRO 206 N -3.95 2.15 0.81 1.29 0.04 -1.26 -4.74 135.00 129.34 1wtj s PRO 206 Ca 0.38 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1wtj s PRO 206 Cb -0.07 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1wtj s PRO 206 CO 0.26 -1.76 1.14 0.00 0.04 0.00 0.00 177.00 176.68 1wtj s ALA 207 N -2.46 2.43 -0.40 8.56 0.00 -1.26 -4.31 121.76 124.32 1wtj s ALA 207 Ca 0.67 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1wtj s ALA 207 Cb -0.22 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1wtj s ALA 207 CO 0.49 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.96 1wtj n GLY 208 N -2.78 0.67 0.00 0.00 0.00 -1.26 -4.91 105.19 96.92 1wtj n GLY 208 Ca 0.07 -0.84 0.03 0.00 0.00 0.00 0.00 46.02 45.28 1wtj n GLY 208 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wtj n MET 209 N -2.85 0.22 -3.88 1.61 2.00 -1.26 -4.93 117.12 108.02 1wtj n MET 209 Ca -0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 57.70 57.52 1wtj n MET 209 Cb 0.13 -1.13 -0.00 0.00 0.00 0.00 0.00 33.22 32.22 1wtj n MET 209 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1wtj s GLY 210 N -2.66 0.50 0.16 3.03 0.00 -1.26 -1.20 107.32 105.88 1wtj s GLY 210 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1wtj s GLY 210 CO 0.23 -0.42 0.03 -1.34 0.00 0.00 0.00 173.10 171.60 1wtj s VAL 211 N -2.87 0.42 0.22 1.40 -7.23 0.09 -2.58 120.40 109.86 1wtj s VAL 211 Ca 0.18 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1wtj s VAL 211 Cb -0.04 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.85 1wtj s VAL 211 CO 0.12 -0.46 0.31 -0.90 -0.31 0.00 0.00 175.10 173.86 1wtj n ASP 212 N -0.18 0.35 0.32 4.85 5.68 0.06 -1.43 116.55 126.20 1wtj n ASP 212 Ca -0.06 -1.31 0.20 0.00 -0.50 0.00 0.00 54.79 53.12 1wtj n ASP 212 Cb 0.63 -0.20 1.10 0.00 -1.14 0.00 0.00 41.12 41.51 1wtj n ASP 212 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1wtj h ARG 213 N 0.00 0.00 -0.27 0.11 0.11 -1.73 0.02 114.38 112.61 1wtj h ARG 213 Ca -0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1wtj h ARG 213 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1wtj h ARG 213 CO 0.10 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.92 1wtj n ASP 214 N -3.26 2.64 -0.09 0.08 8.00 -1.26 -4.93 116.55 117.72 1wtj n ASP 214 Ca -0.03 -1.87 -0.01 0.00 0.71 0.00 0.00 54.79 53.59 1wtj n ASP 214 Cb 0.12 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1wtj n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wtj n GLY 215 N 1.33 0.50 3.90 0.44 0.00 -0.01 -5.03 105.19 106.32 1wtj n GLY 215 Ca 0.18 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1wtj n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wtj s LEU 216 N -0.28 4.30 0.39 0.99 1.43 -1.26 -4.78 118.68 119.47 1wtj s LEU 216 Ca 0.00 0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 53.40 1wtj s LEU 216 Cb 0.00 -3.14 -0.11 0.00 0.03 0.00 0.00 46.19 42.98 1wtj s LEU 216 CO 0.00 0.11 1.27 -2.65 0.23 0.00 0.00 176.35 175.31 1wtj n PRO 217 N 0.35 2.00 -3.73 1.29 -0.02 -1.26 -0.76 135.00 132.87 1wtj n PRO 217 Ca -0.05 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1wtj n PRO 217 Cb 0.52 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 1wtj n PRO 217 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1wtj s THR 218 N -1.16 0.08 -0.05 3.45 -1.32 -1.06 -4.74 115.64 110.83 1wtj s THR 218 Ca 0.58 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1wtj s THR 218 Cb -0.54 -0.97 0.01 0.00 -1.51 0.00 0.00 72.50 69.49 1wtj s THR 218 CO 0.60 -0.36 0.61 0.00 -2.21 0.00 0.00 174.62 173.27 1wtj n GLN 219 N 0.48 -0.14 -3.04 7.08 6.02 -1.26 -4.36 117.38 122.16 1wtj n GLN 219 Ca -0.18 -0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 55.66 1wtj n GLN 219 Cb 0.60 -1.01 -0.06 0.00 1.02 0.00 0.00 30.24 30.79 1wtj n GLN 219 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1wtj s GLU 220 N -0.23 3.56 0.38 -1.09 2.02 -1.26 -0.63 118.70 121.46 1wtj s GLU 220 Ca 0.01 -0.00 0.11 0.00 0.02 0.00 0.00 54.97 55.10 1wtj s GLU 220 Cb 0.00 -3.86 0.90 0.00 0.10 0.00 0.00 34.13 31.27 1wtj s GLU 220 CO 0.01 -0.90 1.91 -1.00 0.02 0.00 0.00 175.26 175.29 1wtj h PRO 221 N 8.66 0.57 -0.16 0.39 0.13 -1.88 -0.47 132.00 139.23 1wtj h PRO 221 Ca -0.25 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 1wtj h PRO 221 Cb 1.10 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1wtj h PRO 221 CO 0.89 0.38 -0.19 0.00 -0.23 0.00 0.00 178.00 178.85 1wtj h ARG 222 N 0.59 0.27 -0.13 0.86 2.47 -1.92 -0.57 114.38 115.96 1wtj h ARG 222 Ca 0.39 -0.08 -0.10 0.00 -1.26 0.00 0.00 59.98 58.93 1wtj h ARG 222 Cb 0.69 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1wtj h ARG 222 CO -0.15 0.46 -0.37 0.00 0.56 0.00 0.00 179.97 180.47 1wtj h ALA 223 N 1.56 1.14 0.02 0.04 0.00 -1.42 0.16 119.26 120.76 1wtj h ALA 223 Ca 0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1wtj h ALA 223 Cb 0.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wtj h ALA 223 CO 0.03 0.57 -0.50 0.82 0.00 0.00 0.00 179.25 180.17 1wtj h ILE 224 N 0.23 1.50 -0.16 0.00 2.04 -1.19 -2.80 117.51 117.13 1wtj h ILE 224 Ca 0.03 -2.13 -0.08 0.00 1.00 0.00 0.00 64.86 63.68 1wtj h ILE 224 Cb 0.76 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1wtj h ILE 224 CO 0.06 0.60 -0.24 -0.07 0.00 0.00 0.00 178.15 178.50 1wtj h LEU 225 N -0.32 0.29 -7.41 1.44 3.38 -1.03 -1.82 115.31 109.85 1wtj h LEU 225 Ca -0.07 -0.09 -0.80 0.00 0.09 0.00 0.00 57.88 57.01 1wtj h LEU 225 Cb 1.26 -0.08 -0.28 0.00 0.09 0.00 0.00 40.66 41.65 1wtj h LEU 225 CO 0.10 0.54 0.55 0.47 0.09 0.00 0.00 178.44 180.18 1wtj n ASP 226 N -4.16 5.73 0.00 -0.43 8.00 0.03 -4.58 116.55 121.14 1wtj n ASP 226 Ca -0.01 -3.12 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1wtj n ASP 226 Cb 0.36 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1wtj n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wtj n GLY 227 N 2.38 1.39 0.00 0.44 0.00 -1.26 -4.65 105.19 103.49 1wtj n GLY 227 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1wtj n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wtj n GLY 228 N -2.00 0.37 3.63 -0.02 0.00 -0.69 -3.72 105.19 102.76 1wtj n GLY 228 Ca 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 1wtj n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj s ALA 229 N -3.15 -1.51 0.17 4.61 0.00 -0.52 -4.81 121.76 116.56 1wtj s ALA 229 Ca 0.00 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.25 1wtj s ALA 229 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1wtj s ALA 229 CO 0.00 -0.89 0.19 -0.51 0.00 0.00 0.00 175.76 174.55 1wtj s LEU 230 N -2.80 3.97 0.11 0.00 1.43 0.13 -0.73 118.68 120.80 1wtj s LEU 230 Ca 0.06 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1wtj s LEU 230 Cb -0.03 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1wtj s LEU 230 CO -0.04 0.05 0.30 -0.76 0.23 0.00 0.00 176.35 176.13 1wtj s LEU 231 N -3.26 4.31 0.32 1.79 1.43 -0.34 -1.82 118.68 121.10 1wtj s LEU 231 Ca 0.32 0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 53.55 1wtj s LEU 231 Cb -0.10 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.91 1wtj s LEU 231 CO 0.25 0.09 1.08 -2.16 0.23 0.00 0.00 176.35 175.85 1wtj s PRO 232 N -2.71 4.46 0.50 1.29 0.04 -1.26 0.47 135.00 137.79 1wtj s PRO 232 Ca 0.38 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 1wtj s PRO 232 Cb -0.12 -2.96 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 1wtj s PRO 232 CO 0.27 0.08 1.27 -0.59 0.04 0.00 0.00 177.00 178.06 1wtj s PHE 233 N -1.33 2.57 0.00 0.56 -0.12 -0.10 -3.10 117.98 116.46 1wtj s PHE 233 Ca 0.49 1.45 0.00 0.00 -0.05 0.00 0.00 56.93 58.82 1wtj s PHE 233 Cb -0.29 -3.60 0.00 0.00 -0.63 0.00 0.00 43.02 38.51 1wtj s PHE 233 CO 0.36 -2.23 0.00 0.41 -0.05 0.00 0.00 175.22 173.72 1wtj n GLY 234 N 0.59 0.74 0.00 1.99 0.00 -1.26 -2.41 105.19 104.84 1wtj n GLY 234 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1wtj n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wtj n GLY 235 N -2.00 1.05 0.33 -0.02 0.00 -1.18 -4.49 105.19 98.88 1wtj n GLY 235 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.47 1wtj n GLY 235 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1wtj h HIS 236 N 0.00 0.53 -0.58 1.61 2.07 -1.90 -2.56 115.15 114.32 1wtj h HIS 236 Ca 0.00 0.01 -0.10 0.00 -2.85 0.00 0.00 60.37 57.43 1wtj h HIS 236 Cb 0.00 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 29.78 1wtj h HIS 236 CO 0.00 0.31 -0.03 0.87 -3.07 0.00 0.00 177.93 176.01 1wtj h LYS 237 N 0.55 1.05 -0.18 5.12 1.57 -1.83 -1.74 116.57 121.10 1wtj h LYS 237 Ca 0.20 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1wtj h LYS 237 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1wtj h LYS 237 CO -0.05 1.05 -0.27 0.78 -0.57 0.00 0.00 179.45 180.39 1wtj h GLY 238 N 0.94 0.37 1.07 3.86 0.00 -1.11 -2.04 103.07 106.16 1wtj h GLY 238 Ca 0.16 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1wtj h GLY 238 CO 0.04 0.27 -0.07 0.23 0.00 0.00 0.00 176.54 177.01 1wtj h SER 239 N 0.30 1.00 -0.72 0.19 0.87 -1.18 -0.33 113.55 113.69 1wtj h SER 239 Ca 0.05 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 1wtj h SER 239 Cb 0.64 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1wtj h SER 239 CO 0.05 1.10 0.28 0.00 -0.53 0.00 0.00 176.83 177.72 1wtj h ALA 240 N 0.94 0.93 -0.37 6.23 0.00 -0.99 -0.80 119.26 125.20 1wtj h ALA 240 Ca 0.15 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1wtj h ALA 240 Cb 0.63 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1wtj h ALA 240 CO 0.04 0.56 -0.17 -0.07 0.00 0.00 0.00 179.25 179.62 1wtj h LEU 241 N 1.03 0.67 -0.72 0.00 3.38 -1.14 -1.50 115.31 117.03 1wtj h LEU 241 Ca 0.24 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1wtj h LEU 241 Cb 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1wtj h LEU 241 CO -0.02 0.85 0.10 -1.28 0.09 0.00 0.00 178.44 178.18 1wtj h SER 242 N 0.61 1.03 -0.72 -0.43 0.87 -0.52 -0.81 113.55 113.58 1wtj h SER 242 Ca 0.10 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1wtj h SER 242 Cb 0.63 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1wtj h SER 242 CO 0.04 1.03 0.34 -0.03 -0.53 0.00 0.00 176.83 177.68 1wtj h MET 243 N 1.01 1.04 -0.98 2.24 1.85 -0.86 -1.89 114.93 117.34 1wtj h MET 243 Ca 0.20 -0.16 0.01 0.00 -0.61 0.00 0.00 59.70 59.14 1wtj h MET 243 Cb 0.44 -0.18 -0.05 0.00 0.43 0.00 0.00 31.60 32.23 1wtj h MET 243 CO 0.01 0.82 0.65 1.98 -0.40 0.00 0.00 176.91 179.98 1wtj h MET 244 N 1.01 1.28 -0.66 0.39 -1.53 -0.66 -1.36 114.93 113.40 1wtj h MET 244 Ca 0.25 -0.08 -0.03 0.00 -3.44 0.00 0.00 59.70 56.40 1wtj h MET 244 Cb 0.13 -0.29 -0.03 0.00 -0.55 0.00 0.00 31.60 30.86 1wtj h MET 244 CO -0.03 0.85 0.29 0.28 0.14 0.00 0.00 176.91 178.44 1wtj h VAL 245 N 1.32 1.23 -0.34 -5.77 2.07 -0.47 0.45 116.25 114.74 1wtj h VAL 245 Ca 0.36 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1wtj h VAL 245 Cb -0.13 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1wtj h VAL 245 CO -0.08 0.28 0.21 -0.33 0.02 0.00 0.00 177.57 177.66 1wtj h GLU 246 N 0.93 0.42 -0.53 1.57 4.39 -0.72 0.11 114.58 120.75 1wtj h GLU 246 Ca 0.22 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 1wtj h GLU 246 Cb 0.16 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1wtj h GLU 246 CO -0.02 0.28 0.12 -0.07 -1.16 0.00 0.00 179.01 178.16 1wtj h LEU 247 N 0.43 0.75 0.13 1.33 3.38 -0.81 -1.23 115.31 119.28 1wtj h LEU 247 Ca 0.13 -0.13 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1wtj h LEU 247 Cb -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1wtj h LEU 247 CO -0.04 0.74 -1.41 -0.07 0.09 0.00 0.00 178.44 177.74 1wtj h LEU 248 N 0.78 0.42 -0.22 1.67 3.38 -0.68 0.17 115.31 120.82 1wtj h LEU 248 Ca 0.17 -0.87 -0.09 0.00 0.09 0.00 0.00 57.88 57.18 1wtj h LEU 248 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wtj h LEU 248 CO -0.00 1.62 -0.43 0.00 0.09 0.00 0.00 178.44 179.73 1wtj h ALA 249 N -0.02 0.76 0.00 1.53 0.00 -0.85 -3.34 119.26 117.34 1wtj h ALA 249 Ca -0.30 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1wtj h ALA 249 Cb 1.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1wtj h ALA 249 CO 0.08 0.53 -0.53 0.00 0.00 0.00 0.00 179.25 179.33 1wtj n ALA 250 N -2.22 3.00 -0.24 0.00 0.00 -0.69 -2.81 120.51 117.55 1wtj n ALA 250 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 1wtj n ALA 250 Cb 0.67 0.36 0.14 0.00 0.00 0.00 0.00 19.45 20.62 1wtj n ALA 250 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1wtj h GLY 251 N 0.00 1.03 1.41 0.00 0.00 -0.88 -0.68 103.07 103.95 1wtj h GLY 251 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 47.33 46.86 1wtj h GLY 251 CO 0.00 0.02 -1.41 -2.00 0.00 0.00 0.00 176.54 173.15 1wtj h LEU 252 N 0.53 0.32 -0.19 3.11 6.46 -0.82 -3.36 115.31 121.36 1wtj h LEU 252 Ca 0.35 -0.41 -0.19 0.00 -0.12 0.00 0.00 57.88 57.51 1wtj h LEU 252 Cb 0.41 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1wtj h LEU 252 CO -0.30 1.34 -0.91 0.71 -0.62 0.00 0.00 178.44 178.66 1wtj h THR 253 N 0.06 1.64 0.00 1.05 1.35 -1.64 -3.47 112.91 111.90 1wtj h THR 253 Ca -0.19 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.59 1wtj h THR 253 Cb 1.97 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 71.06 1wtj h THR 253 CO 0.16 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 1wtj n GLY 254 N 1.07 0.56 3.81 5.82 0.00 -0.28 -4.51 105.19 111.67 1wtj n GLY 254 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1wtj n GLY 254 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wtj s GLY 255 N -1.60 1.61 0.44 -0.02 0.00 -1.11 -4.77 107.32 101.87 1wtj s GLY 255 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 44.72 44.15 1wtj s GLY 255 CO 0.00 0.13 1.22 -1.31 0.00 0.00 0.00 173.10 173.14 1wtj s ASN 256 N -4.02 6.18 0.93 1.64 0.01 -1.25 -4.41 114.94 114.01 1wtj s ASN 256 Ca 0.61 2.44 -0.12 0.00 -0.71 0.00 0.00 52.86 55.09 1wtj s ASN 256 Cb -0.14 -2.62 0.15 0.00 0.41 0.00 0.00 41.25 39.05 1wtj s ASN 256 CO 0.53 -0.92 1.10 -0.36 -1.51 0.00 0.00 177.10 175.94 1wtj s PHE 257 N -1.42 2.30 0.61 2.20 0.08 -1.26 -4.47 117.98 116.02 1wtj s PHE 257 Ca 0.62 1.08 0.32 0.00 0.12 0.00 0.00 56.93 59.06 1wtj s PHE 257 Cb -0.32 -3.23 1.82 0.00 -0.57 0.00 0.00 43.02 40.72 1wtj s PHE 257 CO 0.40 -2.54 2.16 0.77 -0.10 0.00 0.00 175.22 175.91 1wtj h SER 258 N -1.64 0.00 -0.45 1.36 0.02 -1.84 -1.21 113.55 109.79 1wtj h SER 258 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1wtj h SER 258 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1wtj h SER 258 CO 0.57 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 178.48 1wtj n PHE 259 N -3.61 0.58 -1.26 3.45 1.16 -1.26 -2.60 117.46 113.93 1wtj n PHE 259 Ca -0.00 -0.32 -0.20 0.00 -1.87 0.00 0.00 57.45 55.05 1wtj n PHE 259 Cb 0.24 -0.00 0.19 0.00 -1.61 0.00 0.00 39.48 38.29 1wtj n PHE 259 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1wtj n GLU 260 N 1.39 2.26 -3.81 3.97 1.02 -0.46 -4.93 120.64 120.08 1wtj n GLU 260 Ca 0.19 -3.04 -0.12 0.00 -0.02 0.00 0.00 57.16 54.16 1wtj n GLU 260 Cb 0.58 -2.12 -0.09 0.00 -0.02 0.00 0.00 31.44 29.78 1wtj n GLU 260 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1wtj s PHE 261 N -3.28 -0.08 -0.06 -0.32 -0.12 -1.26 -4.81 117.98 108.05 1wtj s PHE 261 Ca 0.55 0.08 -0.01 0.00 -0.05 0.00 0.00 56.93 57.51 1wtj s PHE 261 Cb 0.47 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1wtj s PHE 261 CO 0.09 -0.35 -0.01 0.34 -0.05 0.00 0.00 175.22 175.24 1wtj s ASP 262 N -1.36 1.40 -0.20 1.98 2.15 -1.26 -5.01 116.67 114.37 1wtj s ASP 262 Ca -0.14 -0.10 0.16 0.00 0.43 0.00 0.00 52.55 52.90 1wtj s ASP 262 Cb -0.06 -0.45 0.65 0.00 -0.30 0.00 0.00 42.92 42.76 1wtj s ASP 262 CO 0.03 -0.15 1.55 -2.67 -0.17 0.00 0.00 175.17 173.76 1wtj n TRP 263 N 4.84 1.39 0.27 -5.34 2.14 -1.26 -4.56 117.44 114.92 1wtj n TRP 263 Ca -0.12 -0.81 0.12 0.00 2.07 0.00 0.00 57.50 58.76 1wtj n TRP 263 Cb 0.50 -0.39 0.74 0.00 -0.81 0.00 0.00 31.31 31.35 1wtj n TRP 263 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 1wtj h SER 264 N 2.71 0.00 0.19 -0.67 4.64 -1.96 -0.73 113.55 117.73 1wtj h SER 264 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wtj h SER 264 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1wtj h SER 264 CO 0.32 0.10 -0.10 0.29 -0.87 0.00 0.00 176.83 176.58 1wtj n LYS 265 N -3.82 1.02 -3.81 4.77 4.76 -1.26 -4.48 118.16 115.34 1wtj n LYS 265 Ca -0.02 -0.45 -0.28 0.00 -2.87 0.00 0.00 58.31 54.68 1wtj n LYS 265 Cb 0.20 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 31.78 1wtj n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1wtj s HIS 266 N -2.29 3.02 0.03 2.13 3.76 -0.28 -5.09 115.29 116.57 1wtj s HIS 266 Ca 0.33 -3.09 -0.36 0.00 -0.15 0.00 0.00 55.06 51.79 1wtj s HIS 266 Cb 0.20 -2.37 -0.15 0.00 1.11 0.00 0.00 32.58 31.37 1wtj s HIS 266 CO 0.43 -0.63 1.59 -2.30 -0.85 0.00 0.00 174.74 172.98 1wtj n PRO 267 N 2.35 1.72 0.00 8.40 -0.02 -1.26 -1.01 135.00 145.18 1wtj n PRO 267 Ca 0.19 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1wtj n PRO 267 Cb 0.37 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1wtj n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wtj n GLY 268 N 3.44 1.15 3.73 -1.23 0.00 -1.26 -4.61 105.19 106.41 1wtj n GLY 268 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1wtj n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj s ALA 269 N -2.32 3.66 0.00 4.61 0.00 -0.18 -3.25 121.76 124.28 1wtj s ALA 269 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1wtj s ALA 269 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1wtj s ALA 269 CO 0.00 -0.70 0.00 1.04 0.00 0.00 0.00 175.76 176.10 1wtj n GLN 270 N 3.33 0.74 -3.15 0.00 6.02 -1.26 -4.97 117.38 118.10 1wtj n GLN 270 Ca 0.10 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.70 1wtj n GLN 270 Cb 0.40 -0.09 -0.05 0.00 1.02 0.00 0.00 30.24 31.53 1wtj n GLN 270 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wtj s THR 271 N -0.11 5.09 0.32 5.09 -4.23 -1.26 -5.04 115.64 115.51 1wtj s THR 271 Ca 0.00 1.26 -0.29 0.00 -1.18 0.00 0.00 61.69 61.48 1wtj s THR 271 Cb 0.00 -3.96 -0.10 0.00 1.34 0.00 0.00 72.50 69.78 1wtj s THR 271 CO 0.00 0.28 1.29 -2.84 -0.54 0.00 0.00 174.62 172.82 1wtj s PRO 272 N 0.70 4.38 -0.66 3.99 0.02 -1.26 -4.96 135.00 137.21 1wtj s PRO 272 Ca 0.33 2.18 -0.06 0.00 0.02 0.00 0.00 61.00 63.47 1wtj s PRO 272 Cb -0.17 -3.09 0.17 0.00 0.02 0.00 0.00 34.50 31.44 1wtj s PRO 272 CO 0.15 -0.16 0.50 -0.46 -0.33 0.00 0.00 177.00 176.70 1wtj s TRP 273 N -1.07 3.49 0.00 6.54 -0.00 -1.26 -3.69 118.94 122.95 1wtj s TRP 273 Ca 0.49 -2.50 0.00 0.00 -0.00 0.00 0.00 56.10 54.09 1wtj s TRP 273 Cb -0.39 -3.35 0.00 0.00 -0.00 0.00 0.00 33.47 29.73 1wtj s TRP 273 CO 0.51 -0.89 0.00 0.25 -0.00 0.00 0.00 176.95 176.83 1wtj n THR 274 N 3.70 0.00 -3.60 5.86 -2.24 -0.02 -4.23 114.28 113.75 1wtj n THR 274 Ca 0.08 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1wtj n THR 274 Cb 0.40 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1wtj n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wtj n GLY 275 N 1.28 1.12 3.42 3.38 0.00 -1.25 -1.68 105.19 111.46 1wtj n GLY 275 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1wtj n GLY 275 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wtj s GLN 276 N -2.04 0.61 -0.05 1.61 0.74 -0.10 -4.20 119.66 116.22 1wtj s GLN 276 Ca 0.12 0.73 0.04 0.00 0.05 0.00 0.00 55.36 56.30 1wtj s GLN 276 Cb -0.02 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.36 1wtj s GLN 276 CO 0.05 -0.07 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.38 1wtj s LEU 277 N 0.28 2.58 -0.03 3.68 2.96 -0.66 -0.61 118.68 126.89 1wtj s LEU 277 Ca -0.00 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1wtj s LEU 277 Cb -0.04 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.15 1wtj s LEU 277 CO 0.01 0.31 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.52 1wtj s LEU 278 N -0.55 1.70 -0.16 -0.68 1.02 -0.37 -1.68 118.68 117.97 1wtj s LEU 278 Ca 0.08 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.08 1wtj s LEU 278 Cb -0.11 -0.48 0.02 0.00 0.02 0.00 0.00 46.19 45.63 1wtj s LEU 278 CO 0.01 0.03 -0.18 -0.63 0.02 0.00 0.00 176.35 175.60 1wtj s ILE 279 N 0.33 1.87 -0.11 -0.59 1.01 0.42 -0.75 121.20 123.37 1wtj s ILE 279 Ca -0.05 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1wtj s ILE 279 Cb -0.09 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1wtj s ILE 279 CO 0.00 0.51 -0.19 -0.69 0.00 0.00 0.00 174.94 174.57 1wtj s VAL 280 N 1.24 2.53 0.00 2.92 1.01 -0.32 -0.91 120.40 126.88 1wtj s VAL 280 Ca 0.02 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1wtj s VAL 280 Cb -0.14 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1wtj s VAL 280 CO -0.09 0.54 -0.16 -0.63 0.00 0.00 0.00 175.10 174.76 1wtj s ILE 281 N 0.30 1.30 -0.58 2.22 1.01 0.84 -1.07 121.20 125.22 1wtj s ILE 281 Ca -0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.54 1wtj s ILE 281 Cb -0.17 -1.10 0.10 0.00 0.01 0.00 0.00 42.46 41.30 1wtj s ILE 281 CO 0.07 0.30 0.68 -0.62 0.00 0.00 0.00 174.94 175.37 1wtj s ASP 282 N -0.56 6.19 0.65 3.58 2.15 -0.13 -0.98 116.67 127.57 1wtj s ASP 282 Ca 0.06 -1.39 0.39 0.00 0.43 0.00 0.00 52.55 52.04 1wtj s ASP 282 Cb -0.07 -2.29 2.17 0.00 -0.30 0.00 0.00 42.92 42.43 1wtj s ASP 282 CO -0.00 -1.07 2.28 1.55 -0.17 0.00 0.00 175.17 177.76 1wtj h PRO 283 N 9.14 0.00 -0.60 4.34 0.13 -1.85 -2.36 132.00 140.80 1wtj h PRO 283 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1wtj h PRO 283 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1wtj h PRO 283 CO 1.08 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.60 1wtj n ASP 284 N -3.25 3.79 -4.60 1.44 8.00 -1.26 -4.83 116.55 115.84 1wtj n ASP 284 Ca -0.02 -2.00 -0.49 0.00 0.71 0.00 0.00 54.79 52.98 1wtj n ASP 284 Cb 0.13 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.79 1wtj n ASP 284 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1wtj n LYS 285 N 1.62 1.70 -1.45 -1.24 3.00 -0.89 -0.58 118.16 120.32 1wtj n LYS 285 Ca 0.23 0.56 -0.15 0.00 -0.00 0.00 0.00 58.31 58.95 1wtj n LYS 285 Cb 0.62 -2.63 -0.07 0.00 0.00 0.00 0.00 35.03 32.96 1wtj n LYS 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wtj n GLY 286 N 5.28 1.52 3.86 3.14 0.00 -1.26 -4.97 105.19 112.76 1wtj n GLY 286 Ca 0.30 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1wtj n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj s ALA 287 N -2.43 3.24 -0.32 4.61 0.00 0.26 -4.99 121.76 122.13 1wtj s ALA 287 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.02 1wtj s ALA 287 Cb 0.00 -2.87 0.58 0.00 0.00 0.00 0.00 23.12 20.83 1wtj s ALA 287 CO 0.00 -0.06 1.62 0.41 0.00 0.00 0.00 175.76 177.73 1wtj n GLY 288 N -1.31 4.52 3.78 0.00 0.00 -1.26 -4.96 105.19 105.95 1wtj n GLY 288 Ca 0.04 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1wtj n GLY 288 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wtj s GLN 289 N -3.17 2.18 -0.22 1.61 -2.07 -1.26 -5.15 119.66 111.58 1wtj s GLN 289 Ca 0.49 -1.45 0.01 0.00 -1.82 0.00 0.00 55.36 52.59 1wtj s GLN 289 Cb 0.42 0.61 0.03 0.00 -1.09 0.00 0.00 33.01 32.98 1wtj s GLN 289 CO 0.06 -1.01 -0.14 -1.01 -1.32 0.00 0.00 175.29 171.87 1wtj s HIS 290 N -2.48 2.98 0.22 9.60 3.76 -1.26 -4.90 115.29 123.22 1wtj s HIS 290 Ca 0.17 -1.77 -0.07 0.00 -0.15 0.00 0.00 55.06 53.24 1wtj s HIS 290 Cb -0.05 -1.97 0.36 0.00 1.11 0.00 0.00 32.58 32.04 1wtj s HIS 290 CO 0.12 -0.80 1.73 0.35 -0.85 0.00 0.00 174.74 175.29 1wtj h PHE 291 N 7.92 0.39 -0.19 1.40 3.57 -1.98 -1.47 116.94 126.59 1wtj h PHE 291 Ca -0.36 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.23 1wtj h PHE 291 Cb 1.11 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1wtj h PHE 291 CO 0.55 0.05 0.14 0.00 -2.23 0.00 0.00 178.31 176.82 1wtj h ALA 292 N 1.49 2.10 0.05 2.41 0.00 -1.95 0.83 119.26 124.19 1wtj h ALA 292 Ca 0.35 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.00 1wtj h ALA 292 Cb 0.51 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1wtj h ALA 292 CO -0.37 -0.24 -1.08 1.96 0.00 0.00 0.00 179.25 179.51 1wtj h GLN 293 N 0.00 0.53 -0.36 0.00 1.08 -1.64 -1.34 115.11 113.38 1wtj h GLN 293 Ca 0.09 -0.63 -0.06 0.00 -1.45 0.00 0.00 58.65 56.60 1wtj h GLN 293 Cb 0.38 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1wtj h GLN 293 CO -0.00 1.25 0.01 0.00 -0.95 0.00 0.00 178.83 179.14 1wtj h ARG 294 N 0.27 0.64 -0.31 1.46 2.47 -0.80 -2.08 114.38 116.03 1wtj h ARG 294 Ca -0.13 -0.20 -0.08 0.00 -1.26 0.00 0.00 59.98 58.32 1wtj h ARG 294 Cb 1.74 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.99 1wtj h ARG 294 CO 0.20 0.74 -0.14 0.66 0.56 0.00 0.00 179.97 181.99 1wtj h SER 295 N 0.46 0.53 -0.18 7.04 4.64 -0.96 -1.47 113.55 123.60 1wtj h SER 295 Ca 0.10 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1wtj h SER 295 Cb 0.45 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1wtj h SER 295 CO 0.02 0.69 -0.16 -0.08 -0.87 0.00 0.00 176.83 176.43 1wtj h GLU 296 N 0.50 0.58 -0.48 4.77 4.57 -1.28 -0.96 114.58 122.28 1wtj h GLU 296 Ca 0.09 -0.19 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1wtj h GLU 296 Cb 0.53 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1wtj h GLU 296 CO 0.03 0.72 -0.13 1.49 -1.18 0.00 0.00 179.01 179.95 1wtj h GLU 297 N 0.53 0.89 -0.66 1.92 4.57 -0.82 -0.81 114.58 120.19 1wtj h GLU 297 Ca 0.09 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 57.88 1wtj h GLU 297 Cb 0.58 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1wtj h GLU 297 CO 0.04 0.96 0.14 1.25 -1.18 0.00 0.00 179.01 180.22 1wtj h LEU 298 N 0.79 1.00 -0.51 1.64 5.85 -0.75 -0.71 115.31 122.62 1wtj h LEU 298 Ca 0.13 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1wtj h LEU 298 Cb 0.65 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1wtj h LEU 298 CO 0.05 0.97 0.24 0.58 -0.34 0.00 0.00 178.44 179.93 1wtj h VAL 299 N 1.00 1.20 -0.66 1.05 2.07 -0.80 0.53 116.25 120.64 1wtj h VAL 299 Ca 0.21 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1wtj h VAL 299 Cb 0.37 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1wtj h VAL 299 CO 0.00 0.23 0.41 -0.09 0.02 0.00 0.00 177.57 178.14 1wtj h ARG 300 N 0.68 0.89 -0.32 1.57 2.43 -0.69 -1.48 114.38 117.48 1wtj h ARG 300 Ca 0.17 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1wtj h ARG 300 Cb 0.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1wtj h ARG 300 CO -0.02 0.63 -0.25 1.96 -1.51 0.00 0.00 179.97 180.77 1wtj h GLN 301 N 0.90 0.63 -0.55 0.20 1.08 -0.82 -0.93 115.11 115.61 1wtj h GLN 301 Ca 0.24 -0.25 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1wtj h GLN 301 Cb -0.04 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1wtj h GLN 301 CO -0.05 0.82 0.19 -0.07 -0.95 0.00 0.00 178.83 178.77 1wtj h LEU 302 N 0.55 0.80 -0.94 1.46 3.38 -0.42 -1.54 115.31 118.59 1wtj h LEU 302 Ca 0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1wtj h LEU 302 Cb 0.73 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1wtj h LEU 302 CO 0.06 0.78 -0.08 0.45 0.09 0.00 0.00 178.44 179.74 1wtj h HIS 303 N 0.77 0.74 -0.59 1.13 3.86 -1.08 -0.85 115.15 119.12 1wtj h HIS 303 Ca 0.18 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1wtj h HIS 303 Cb 0.26 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1wtj h HIS 303 CO 0.01 0.74 0.36 0.78 0.86 0.00 0.00 177.93 180.69 1wtj h GLY 304 N 0.96 0.85 -0.85 2.45 0.00 -0.44 -1.98 103.07 104.06 1wtj h GLY 304 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1wtj h GLY 304 CO 0.03 0.33 0.00 3.33 0.00 0.00 0.00 176.54 180.23 1wtj n VAL 305 N -4.42 0.20 0.00 4.60 0.24 -0.65 -4.93 118.33 113.37 1wtj n VAL 305 Ca 0.06 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1wtj n VAL 305 Cb 0.07 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1wtj n VAL 305 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wtj n GLY 306 N 1.15 0.79 3.51 7.63 0.00 -0.74 -5.04 105.19 112.49 1wtj n GLY 306 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1wtj n GLY 306 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wtj s GLN 307 N -0.68 3.33 0.11 1.61 0.74 -0.35 -4.84 119.66 119.59 1wtj s GLN 307 Ca 0.00 -0.88 -0.19 0.00 0.05 0.00 0.00 55.36 54.34 1wtj s GLN 307 Cb 0.00 -4.61 -0.06 0.00 1.10 0.00 0.00 33.01 29.45 1wtj s GLN 307 CO 0.00 -2.01 1.66 0.93 -0.55 0.00 0.00 175.29 175.32 1wtj h GLU 308 N 9.64 0.40 -5.02 1.67 5.08 -1.89 -3.36 114.58 121.10 1wtj h GLU 308 Ca -0.09 -0.07 -0.63 0.00 -1.00 0.00 0.00 59.36 57.57 1wtj h GLU 308 Cb 1.04 -0.07 -0.17 0.00 0.50 0.00 0.00 28.75 30.06 1wtj h GLU 308 CO 1.26 0.42 -0.53 -0.98 -1.00 0.00 0.00 179.01 178.18 1wtj s ARG 309 N -5.58 3.96 0.26 2.33 1.04 -1.26 -5.02 118.95 114.68 1wtj s ARG 309 Ca -0.13 -0.32 -0.10 0.00 -1.04 0.00 0.00 55.73 54.13 1wtj s ARG 309 Cb 0.08 -3.52 -0.07 0.00 -2.04 0.00 0.00 34.95 29.40 1wtj s ARG 309 CO 0.72 -0.04 0.59 -1.17 -0.04 0.00 0.00 175.30 175.36 1wtj s LEU 310 N 1.32 4.12 -0.06 -1.89 2.96 -1.26 -4.97 118.68 118.89 1wtj s LEU 310 Ca 0.07 0.96 -0.35 0.00 -0.22 0.00 0.00 54.13 54.58 1wtj s LEU 310 Cb -0.14 -3.74 -0.13 0.00 0.50 0.00 0.00 46.19 42.68 1wtj s LEU 310 CO 0.06 -0.12 1.77 -2.65 -1.32 0.00 0.00 176.35 174.09 1wtj n PRO 311 N -0.33 1.94 0.00 0.98 -0.02 -1.26 -0.82 135.00 135.49 1wtj n PRO 311 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1wtj n PRO 311 Cb 0.53 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1wtj n PRO 311 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wtj n GLY 312 N 4.07 2.36 0.34 -1.23 0.00 -1.09 -3.00 105.19 106.64 1wtj n GLY 312 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 1wtj n GLY 312 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wtj h ASP 313 N 0.45 0.83 -0.32 1.61 3.32 -1.31 -1.03 116.42 119.97 1wtj h ASP 313 Ca 0.00 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1wtj h ASP 313 Cb 0.00 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1wtj h ASP 313 CO 0.00 0.46 0.08 0.03 -1.72 0.00 0.00 179.24 178.09 1wtj h ARG 314 N 0.92 0.20 -0.31 3.56 3.08 -1.93 -0.30 114.38 119.60 1wtj h ARG 314 Ca 0.45 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.36 1wtj h ARG 314 Cb 0.41 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1wtj h ARG 314 CO -0.25 0.13 -0.35 0.00 -1.07 0.00 0.00 179.97 178.43 1wtj h ARG 315 N 0.21 0.68 -0.13 0.04 3.08 -1.63 -2.42 114.38 114.21 1wtj h ARG 315 Ca 0.15 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1wtj h ARG 315 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1wtj h ARG 315 CO -0.18 0.93 -0.21 1.88 -1.07 0.00 0.00 179.97 181.32 1wtj h TYR 316 N 0.57 0.23 -0.19 3.04 0.05 -0.71 0.14 116.97 120.10 1wtj h TYR 316 Ca 0.06 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1wtj h TYR 316 Cb 0.86 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.54 1wtj h TYR 316 CO 0.04 0.42 -0.14 1.25 -1.05 0.00 0.00 178.16 178.68 1wtj h LEU 317 N 0.20 0.45 -0.85 3.88 5.85 -0.85 -1.68 115.31 122.31 1wtj h LEU 317 Ca 0.04 -0.45 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 1wtj h LEU 317 Cb 0.49 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1wtj h LEU 317 CO 0.03 0.81 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.58 1wtj h GLU 318 N 0.11 0.82 -0.26 1.25 4.39 -1.15 -1.86 114.58 117.88 1wtj h GLU 318 Ca 0.04 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.50 1wtj h GLU 318 Cb 0.66 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1wtj h GLU 318 CO 0.04 0.84 0.16 -0.09 -1.16 0.00 0.00 179.01 178.81 1wtj h ARG 319 N 0.75 0.33 -0.86 2.33 2.43 -0.61 0.94 114.38 119.69 1wtj h ARG 319 Ca 0.14 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1wtj h ARG 319 Cb 0.51 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1wtj h ARG 319 CO 0.03 0.22 0.46 0.00 -1.51 0.00 0.00 179.97 179.17 1wtj h ALA 320 N 1.10 1.11 -0.61 2.80 0.00 -1.08 -1.25 119.26 121.33 1wtj h ALA 320 Ca 0.10 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1wtj h ALA 320 Cb -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1wtj h ALA 320 CO -0.03 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.87 1wtj h ARG 321 N 1.21 1.05 -0.64 0.00 3.08 -0.87 -1.76 114.38 116.45 1wtj h ARG 321 Ca 0.30 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1wtj h ARG 321 Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1wtj h ARG 321 CO -0.05 1.01 0.04 0.77 -1.07 0.00 0.00 179.97 180.68 1wtj h SER 322 N 0.97 1.07 1.07 7.04 0.02 -0.36 0.10 113.55 123.46 1wtj h SER 322 Ca 0.18 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 1wtj h SER 322 Cb 0.52 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1wtj h SER 322 CO 0.03 1.09 -0.27 0.24 -1.14 0.00 0.00 176.83 176.77 1wtj h MET 323 N 1.01 0.00 0.10 3.45 2.86 -1.08 0.32 114.93 121.60 1wtj h MET 323 Ca 0.19 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.47 1wtj h MET 323 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1wtj h MET 323 CO 0.02 0.27 -1.97 0.00 1.06 0.00 0.00 176.91 176.29 1wtj n ALA 324 N -2.22 0.92 0.33 6.32 0.00 -0.68 -4.54 120.51 120.65 1wtj n ALA 324 Ca 0.01 -0.63 0.04 0.00 0.00 0.00 0.00 53.44 52.86 1wtj n ALA 324 Cb 0.49 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 19.36 1wtj n ALA 324 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1wtj n HIS 325 N -3.57 0.00 0.00 0.00 8.25 0.33 -5.09 115.22 115.13 1wtj n HIS 325 Ca -0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1wtj n HIS 325 Cb 1.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.11 1wtj n HIS 325 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wtj n GLY 326 N 0.55 -0.18 3.62 -1.41 0.00 0.11 -4.89 105.19 102.99 1wtj n GLY 326 Ca 0.04 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1wtj n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wtj s ILE 327 N -2.32 4.95 0.04 -0.61 1.01 0.35 -4.36 121.20 120.27 1wtj s ILE 327 Ca 0.00 1.16 -0.31 0.00 0.00 0.00 0.00 60.65 61.50 1wtj s ILE 327 Cb 0.00 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 1wtj s ILE 327 CO 0.00 -0.02 1.29 -0.69 0.00 0.00 0.00 174.94 175.52 1wtj s VAL 328 N 2.58 3.81 -0.03 2.92 1.01 -1.26 -1.33 120.40 128.10 1wtj s VAL 328 Ca 0.27 1.26 -0.03 0.00 0.00 0.00 0.00 61.98 63.49 1wtj s VAL 328 Cb -0.15 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1wtj s VAL 328 CO 0.09 0.06 0.08 -0.51 0.00 0.00 0.00 175.10 174.82 1wtj s ILE 329 N 1.55 -0.00 0.28 2.22 2.07 0.42 -4.98 121.20 122.75 1wtj s ILE 329 Ca 0.61 0.02 -0.30 0.00 -1.41 0.00 0.00 60.65 59.56 1wtj s ILE 329 Cb -0.31 -0.12 -0.12 0.00 0.13 0.00 0.00 42.46 42.04 1wtj s ILE 329 CO 0.28 0.01 1.62 0.00 -1.91 0.00 0.00 174.94 174.94 1wtj n ALA 330 N 3.13 2.64 -0.28 1.50 0.00 -1.26 -0.31 120.51 125.93 1wtj n ALA 330 Ca -0.13 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.76 1wtj n ALA 330 Cb 0.59 -2.48 0.23 0.00 0.00 0.00 0.00 19.45 17.79 1wtj n ALA 330 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wtj h GLN 331 N 5.09 0.44 -0.63 0.00 4.15 -1.20 0.38 115.11 123.33 1wtj h GLN 331 Ca -0.46 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 1wtj h GLN 331 Cb 1.22 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1wtj h GLN 331 CO 0.82 0.29 0.24 0.00 -1.93 0.00 0.00 178.83 178.25 1wtj h ALA 332 N 1.61 1.24 -0.32 3.38 0.00 -1.89 -1.61 119.26 121.66 1wtj h ALA 332 Ca 0.47 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1wtj h ALA 332 Cb 0.77 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wtj h ALA 332 CO -0.44 0.55 -0.45 -0.44 0.00 0.00 0.00 179.25 178.47 1wtj h ASP 333 N 0.91 0.91 -0.49 0.00 3.32 -1.34 -2.04 116.42 117.69 1wtj h ASP 333 Ca 0.21 -0.44 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 1wtj h ASP 333 Cb 0.19 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1wtj h ASP 333 CO -0.02 1.22 0.05 0.25 -1.72 0.00 0.00 179.24 179.03 1wtj h LEU 334 N 0.67 0.81 -1.24 1.55 5.85 -0.96 -1.40 115.31 120.59 1wtj h LEU 334 Ca 0.04 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1wtj h LEU 334 Cb 1.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1wtj h LEU 334 CO 0.10 0.88 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.68 1wtj h GLU 335 N 0.70 0.43 -0.36 1.25 5.08 -1.26 -0.09 114.58 120.33 1wtj h GLU 335 Ca 0.15 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1wtj h GLU 335 Cb 0.44 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1wtj h GLU 335 CO 0.01 0.52 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.17 1wtj h ARG 336 N 0.41 0.83 -0.51 2.33 9.65 -1.03 -1.64 114.38 124.42 1wtj h ARG 336 Ca 0.08 -0.41 -0.12 0.00 -1.10 0.00 0.00 59.98 58.43 1wtj h ARG 336 Cb 0.39 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 1wtj h ARG 336 CO 0.02 1.04 -0.16 -0.07 2.80 0.00 0.00 179.97 183.61 1wtj h LEU 337 N 0.62 1.00 -0.88 3.80 3.38 -0.87 -1.35 115.31 121.01 1wtj h LEU 337 Ca 0.07 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1wtj h LEU 337 Cb 0.86 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1wtj h LEU 337 CO 0.07 1.14 0.18 1.56 0.09 0.00 0.00 178.44 181.49 1wtj h GLN 338 N 0.87 1.00 -0.35 1.13 4.20 -0.94 -1.57 115.11 119.46 1wtj h GLN 338 Ca 0.13 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1wtj h GLN 338 Cb 0.73 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1wtj h GLN 338 CO 0.06 0.88 -0.01 0.93 -0.67 0.00 0.00 178.83 180.02 1wtj h GLU 339 N 0.96 0.63 0.00 1.46 5.08 -1.08 0.30 114.58 121.93 1wtj h GLU 339 Ca 0.21 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wtj h GLU 339 Cb 0.31 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1wtj h GLU 339 CO -0.00 0.75 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.61 1wtj h LEU 340 N 0.43 0.00 0.00 1.33 3.38 -0.91 -1.08 115.31 118.46 1wtj h LEU 340 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wtj h LEU 340 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wtj h LEU 340 CO 0.02 0.07 -0.11 0.00 0.09 0.00 0.00 178.44 178.51 1wtj n ALA 341 N -2.46 2.46 0.00 1.53 0.00 -0.62 -4.69 120.51 116.73 1wtj n ALA 341 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wtj n ALA 341 Cb 0.15 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1wtj n ALA 341 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wtj n GLY 342 N 1.38 0.95 0.00 0.00 0.00 -0.41 -4.80 105.19 102.31 1wtj n GLY 342 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1wtj n GLY 342 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74