#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h56 s TYR 3 N 0.00 3.33 -0.16 -0.14 1.51 -1.26 0.01 117.35 120.63 2h56 s TYR 3 Ca 0.00 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2h56 s TYR 3 Cb 0.00 -1.85 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2h56 s TYR 3 CO 0.00 0.57 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.78 2h56 s PHE 4 N -0.92 2.47 0.37 2.71 0.08 -0.37 -4.98 117.98 117.34 2h56 s PHE 4 Ca 0.14 -1.43 0.07 0.00 0.12 0.00 0.00 56.93 55.83 2h56 s PHE 4 Cb -0.12 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 2h56 s PHE 4 CO 0.03 -0.74 0.35 -1.54 -0.10 0.00 0.00 175.22 173.22 2h56 s SER 5 N 1.39 5.28 0.62 1.36 1.04 -1.26 -1.89 113.70 120.24 2h56 s SER 5 Ca 0.05 -0.55 0.24 0.00 0.48 0.00 0.00 55.95 56.17 2h56 s SER 5 Cb -0.13 -0.84 1.08 0.00 0.10 0.00 0.00 66.02 66.23 2h56 s SER 5 CO -0.12 -0.49 1.54 0.71 0.98 0.00 0.00 173.24 175.87 2h56 h THR 6 N 1.11 0.12 -0.36 2.02 1.35 -1.92 0.11 112.91 115.34 2h56 h THR 6 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2h56 h THR 6 Cb 1.26 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2h56 h THR 6 CO 0.57 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.31 2h56 n ASP 7 N -3.26 2.79 -4.91 5.36 8.00 -1.26 -4.55 116.55 118.72 2h56 n ASP 7 Ca 0.12 -1.91 -0.27 0.00 0.71 0.00 0.00 54.79 53.44 2h56 n ASP 7 Cb 1.04 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.88 2h56 n ASP 7 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2h56 s SER 8 N -1.39 6.39 0.36 -2.24 1.04 0.02 -4.97 113.70 112.91 2h56 s SER 8 Ca 0.36 0.66 0.11 0.00 0.48 0.00 0.00 55.95 57.56 2h56 s SER 8 Cb 0.20 -2.12 0.68 0.00 0.10 0.00 0.00 66.02 64.88 2h56 s SER 8 CO 0.28 -0.24 1.81 -0.65 0.98 0.00 0.00 173.24 175.42 2h56 h PRO 9 N 1.35 0.06 -0.42 4.02 0.11 -1.92 -1.31 132.00 133.88 2h56 h PRO 9 Ca -0.48 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2h56 h PRO 9 Cb 1.20 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2h56 h PRO 9 CO 0.65 0.41 -0.02 0.93 -0.21 0.00 0.00 178.00 179.76 2h56 h GLU 10 N 0.05 0.75 0.14 1.05 3.07 -1.94 0.23 114.58 117.92 2h56 h GLU 10 Ca 0.00 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 2h56 h GLU 10 Cb 0.67 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2h56 h GLU 10 CO 0.05 0.83 -0.07 0.28 -1.40 0.00 0.00 179.01 178.71 2h56 h VAL 11 N 0.58 0.95 -0.90 3.13 2.07 -1.78 -2.45 116.25 117.84 2h56 h VAL 11 Ca 0.12 -0.34 0.19 0.00 0.82 0.00 0.00 66.70 67.48 2h56 h VAL 11 Cb 0.51 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 2h56 h VAL 11 CO 0.02 0.08 0.59 0.11 0.02 0.00 0.00 177.57 178.39 2h56 h LYS 12 N -0.34 0.48 -0.30 1.57 1.57 -0.99 -0.12 116.57 118.43 2h56 h LYS 12 Ca -0.02 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2h56 h LYS 12 Cb 0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2h56 h LYS 12 CO 0.03 0.32 -0.05 1.15 -0.57 0.00 0.00 179.45 180.33 2h56 h THR 13 N 0.50 1.27 0.03 -0.16 2.02 -0.71 -2.58 112.91 113.28 2h56 h THR 13 Ca 0.47 -1.06 -0.22 0.00 0.77 0.00 0.00 66.41 66.37 2h56 h THR 13 Cb 1.04 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2h56 h THR 13 CO -0.20 0.34 -0.99 0.16 0.37 0.00 0.00 175.52 175.20 2h56 h ILE 14 N 0.34 1.56 0.00 3.11 3.07 -0.80 -3.05 117.51 121.74 2h56 h ILE 14 Ca 0.08 -2.93 -0.08 0.00 1.55 0.00 0.00 64.86 63.48 2h56 h ILE 14 Cb 0.52 2.67 -0.01 0.00 -0.27 0.00 0.00 36.82 39.74 2h56 h ILE 14 CO 0.03 0.85 -0.39 -0.37 -1.05 0.00 0.00 178.15 177.22 2h56 h VAL 15 N 0.07 1.16 0.00 0.16 -1.51 -1.13 -2.53 116.25 112.46 2h56 h VAL 15 Ca -0.05 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 2h56 h VAL 15 Cb 1.67 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.61 2h56 h VAL 15 CO 0.15 0.38 0.00 0.00 -1.23 0.00 0.00 177.57 176.87 2h56 n ALA 16 N -2.41 1.85 -0.01 5.19 0.00 -0.97 -3.37 120.51 120.78 2h56 n ALA 16 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.44 2h56 n ALA 16 Cb 0.44 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 2h56 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2h56 n GLN 17 N -1.94 1.14 -3.94 0.00 7.27 -1.17 -4.93 117.38 113.82 2h56 n GLN 17 Ca 0.04 -0.04 -0.30 0.00 0.07 0.00 0.00 57.00 56.76 2h56 n GLN 17 Cb 0.26 -1.17 -0.15 0.00 2.41 0.00 0.00 30.24 31.60 2h56 n GLN 17 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2h56 s ASP 18 N -3.16 4.45 0.45 1.69 -1.08 -0.96 -4.97 116.67 113.08 2h56 s ASP 18 Ca -0.03 -2.38 0.25 0.00 -0.52 0.00 0.00 52.55 49.87 2h56 s ASP 18 Cb 0.04 -1.48 0.78 0.00 -1.46 0.00 0.00 42.92 40.79 2h56 s ASP 18 CO 0.29 -0.33 1.76 0.77 0.52 0.00 0.00 175.17 178.18 2h56 h SER 19 N 7.27 0.00 -0.25 -0.34 4.64 -1.87 -1.63 113.55 121.37 2h56 h SER 19 Ca -0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 2h56 h SER 19 Cb 0.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2h56 h SER 19 CO 0.56 0.14 -0.16 0.03 -0.87 0.00 0.00 176.83 176.53 2h56 h ARG 20 N 0.00 0.54 -0.38 4.77 3.08 -1.93 -1.57 114.38 118.90 2h56 h ARG 20 Ca -0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2h56 h ARG 20 Cb 0.83 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2h56 h ARG 20 CO 0.02 0.82 0.24 1.25 -1.07 0.00 0.00 179.97 181.24 2h56 h LEU 21 N 0.26 0.43 -0.84 3.04 5.85 -1.84 -1.74 115.31 120.47 2h56 h LEU 21 Ca 0.05 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2h56 h LEU 21 Cb 0.68 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2h56 h LEU 21 CO 0.04 0.32 0.15 0.15 -0.34 0.00 0.00 178.44 178.76 2h56 h PHE 22 N 0.51 1.06 -0.51 1.25 3.57 -1.00 -0.59 116.94 121.24 2h56 h PHE 22 Ca 0.14 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2h56 h PHE 22 Cb -0.05 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 2h56 h PHE 22 CO 0.00 0.87 -0.10 1.96 -2.23 0.00 0.00 178.31 178.81 2h56 h GLN 23 N 0.97 0.95 0.11 1.11 4.20 -0.45 -1.84 115.11 120.16 2h56 h GLN 23 Ca 0.20 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2h56 h GLN 23 Cb 0.35 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2h56 h GLN 23 CO 0.00 1.00 -0.05 0.35 -0.67 0.00 0.00 178.83 179.45 2h56 h PHE 24 N 0.85 -0.14 0.00 2.96 3.57 -1.25 -3.32 116.94 119.62 2h56 h PHE 24 Ca 0.14 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2h56 h PHE 24 Cb 0.64 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2h56 h PHE 24 CO 0.04 0.19 -0.08 0.82 -2.23 0.00 0.00 178.31 177.05 2h56 h ILE 25 N -0.48 0.50 0.13 1.41 2.04 -1.00 0.51 117.51 120.61 2h56 h ILE 25 Ca -0.02 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2h56 h ILE 25 Cb 0.40 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2h56 h ILE 25 CO 0.03 0.08 -0.35 -0.33 0.00 0.00 0.00 178.15 177.57 2h56 h GLU 26 N 0.00 -0.57 -0.17 2.37 5.08 -1.43 -2.94 114.58 116.93 2h56 h GLU 26 Ca -0.00 0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 2h56 h GLU 26 Cb 0.24 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2h56 h GLU 26 CO 0.01 -0.38 -0.73 0.82 -1.00 0.00 0.00 179.01 177.73 2h56 h ILE 27 N -0.59 1.28 -0.42 3.13 2.04 -1.33 -3.35 117.51 118.27 2h56 h ILE 27 Ca 0.03 -1.94 -0.10 0.00 1.00 0.00 0.00 64.86 63.85 2h56 h ILE 27 Cb 0.62 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2h56 h ILE 27 CO -0.20 0.61 -0.13 0.00 0.00 0.00 0.00 178.15 178.43 2h56 h ALA 28 N 0.62 0.97 0.00 1.87 0.00 0.05 -3.49 119.26 119.28 2h56 h ALA 28 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2h56 h ALA 28 Cb 1.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2h56 h ALA 28 CO 0.15 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2h56 n GLY 29 N -0.40 0.05 3.89 0.00 0.00 -1.12 -4.95 105.19 102.66 2h56 n GLY 29 Ca 0.01 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 2h56 n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h56 s GLU 30 N 0.00 3.58 0.04 1.61 8.01 -1.26 -4.47 118.70 126.22 2h56 s GLU 30 Ca 0.00 0.47 0.02 0.00 0.01 0.00 0.00 54.97 55.46 2h56 s GLU 30 Cb 0.00 -2.24 -0.03 0.00 -4.31 0.00 0.00 34.13 27.55 2h56 s GLU 30 CO 0.00 -0.37 -0.07 0.14 0.01 0.00 0.00 175.26 174.98 2h56 s VAL 31 N -2.93 0.46 -0.09 2.63 -7.23 -0.79 -5.00 120.40 107.45 2h56 s VAL 31 Ca 0.51 -1.17 -0.01 0.00 -1.81 0.00 0.00 61.98 59.50 2h56 s VAL 31 Cb -0.11 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 2h56 s VAL 31 CO 0.48 -0.48 -0.04 -1.10 -0.31 0.00 0.00 175.10 173.66 2h56 s GLN 32 N -1.90 2.98 -0.40 4.82 -0.21 -1.26 -1.24 119.66 122.45 2h56 s GLN 32 Ca -0.08 -0.49 -0.11 0.00 0.02 0.00 0.00 55.36 54.70 2h56 s GLN 32 Cb -0.08 -2.72 0.06 0.00 1.00 0.00 0.00 33.01 31.27 2h56 s GLN 32 CO -0.01 0.61 0.25 -1.17 -2.12 0.00 0.00 175.29 172.86 2h56 s LEU 33 N -0.66 5.01 0.61 2.90 2.96 0.10 -4.98 118.68 124.63 2h56 s LEU 33 Ca 0.10 -1.26 -0.07 0.00 -0.22 0.00 0.00 54.13 52.68 2h56 s LEU 33 Cb -0.12 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2h56 s LEU 33 CO 0.02 -0.48 0.94 -2.16 -1.32 0.00 0.00 176.35 173.35 2h56 s PRO 34 N 1.51 2.96 -0.01 0.98 0.04 -1.26 -1.47 135.00 137.75 2h56 s PRO 34 Ca 0.02 0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.21 2h56 s PRO 34 Cb -0.21 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2h56 s PRO 34 CO 0.05 -0.74 -0.00 0.99 0.04 0.00 0.00 177.00 177.33 2h56 s THR 35 N -3.06 4.15 -0.24 1.26 2.01 -1.26 -4.67 115.64 113.82 2h56 s THR 35 Ca 0.54 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2h56 s THR 35 Cb -0.11 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 2h56 s THR 35 CO 0.47 0.40 0.14 -0.54 -0.69 0.00 0.00 174.62 174.40 2h56 s LYS 36 N -1.49 3.97 -0.05 4.92 1.02 0.00 -5.03 119.74 123.09 2h56 s LYS 36 Ca 0.19 -0.32 -0.23 0.00 0.02 0.00 0.00 55.97 55.62 2h56 s LYS 36 Cb -0.11 -3.49 -0.18 0.00 -0.52 0.00 0.00 37.83 33.53 2h56 s LYS 36 CO 0.09 0.00 1.00 -1.00 -0.92 0.00 0.00 175.35 174.52 2h56 h PRO 37 N 7.69 -0.14 -5.56 -1.68 0.13 -1.96 -3.42 132.00 127.06 2h56 h PRO 37 Ca -0.37 0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.13 2h56 h PRO 37 Cb 1.17 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 2h56 h PRO 37 CO 0.63 0.36 0.22 1.21 -0.23 0.00 0.00 178.00 180.18 2h56 s ASN 38 N -5.59 6.38 0.28 1.44 3.84 -1.26 -4.95 114.94 115.08 2h56 s ASN 38 Ca -0.14 -0.16 0.02 0.00 0.21 0.00 0.00 52.86 52.79 2h56 s ASN 38 Cb 0.01 -2.35 0.61 0.00 -0.55 0.00 0.00 41.25 38.97 2h56 s ASN 38 CO 0.56 -0.79 1.80 1.55 -2.79 0.00 0.00 177.10 177.42 2h56 h PRO 39 N 8.83 0.82 -0.27 0.43 0.13 -1.95 0.65 132.00 140.64 2h56 h PRO 39 Ca -0.25 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2h56 h PRO 39 Cb 1.09 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2h56 h PRO 39 CO 0.91 0.54 0.13 0.35 -0.23 0.00 0.00 178.00 179.70 2h56 h PHE 40 N 0.84 0.38 -0.23 1.56 3.57 -1.92 -1.51 116.94 119.64 2h56 h PHE 40 Ca 0.52 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.89 2h56 h PHE 40 Cb 0.65 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2h56 h PHE 40 CO -0.02 0.34 -0.33 0.37 -2.23 0.00 0.00 178.31 176.44 2h56 h GLN 41 N 0.30 0.48 -0.16 1.11 -0.00 -1.41 -1.97 115.11 113.45 2h56 h GLN 41 Ca 0.09 -0.21 0.04 0.00 -0.00 0.00 0.00 58.65 58.58 2h56 h GLN 41 Cb 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.52 2h56 h GLN 41 CO -0.01 0.75 -0.13 1.03 0.00 0.00 0.00 178.83 180.46 2h56 h SER 42 N 0.41 -0.43 -0.40 -0.69 0.87 0.51 0.46 113.55 114.29 2h56 h SER 42 Ca 0.05 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2h56 h SER 42 Cb 0.78 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2h56 h SER 42 CO 0.06 -0.18 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.08 2h56 h LEU 43 N -0.15 0.72 -0.29 2.23 3.38 -1.10 -0.54 115.31 119.55 2h56 h LEU 43 Ca 0.10 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2h56 h LEU 43 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2h56 h LEU 43 CO -0.25 0.88 0.18 0.58 0.09 0.00 0.00 178.44 179.91 2h56 h VAL 44 N 0.54 1.10 -0.22 1.22 2.07 -1.22 0.73 116.25 120.48 2h56 h VAL 44 Ca 0.11 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2h56 h VAL 44 Cb 0.53 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 2h56 h VAL 44 CO 0.03 0.10 -0.37 -1.28 0.02 0.00 0.00 177.57 176.06 2h56 h SER 45 N 0.37 -1.19 -0.62 0.57 0.87 0.03 -1.84 113.55 111.75 2h56 h SER 45 Ca 0.11 0.17 0.07 0.00 -1.23 0.00 0.00 61.79 60.91 2h56 h SER 45 Cb 0.01 0.51 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 2h56 h SER 45 CO -0.02 -0.38 0.30 0.28 -0.53 0.00 0.00 176.83 176.48 2h56 h SER 46 N -0.40 0.39 -0.65 6.23 0.02 -0.84 -2.43 113.55 115.87 2h56 h SER 46 Ca 0.11 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2h56 h SER 46 Cb 0.58 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2h56 h SER 46 CO -0.43 0.25 0.36 0.40 -1.14 0.00 0.00 176.83 176.26 2h56 h ILE 47 N 0.54 1.20 -0.06 3.27 2.04 -0.23 -2.59 117.51 121.69 2h56 h ILE 47 Ca 0.29 -0.51 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 2h56 h ILE 47 Cb 0.26 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2h56 h ILE 47 CO -0.23 0.22 -0.54 0.58 0.00 0.00 0.00 178.15 178.18 2h56 h VAL 48 N 0.89 1.37 -0.29 1.67 2.07 -1.26 -3.29 116.25 117.41 2h56 h VAL 48 Ca 0.23 -1.85 -0.15 0.00 0.82 0.00 0.00 66.70 65.75 2h56 h VAL 48 Cb 0.03 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2h56 h VAL 48 CO -0.04 0.54 -0.44 -0.33 0.02 0.00 0.00 177.57 177.33 2h56 h GLU 49 N 0.13 0.74 -6.64 1.57 5.08 -1.12 -3.46 114.58 110.88 2h56 h GLU 49 Ca -0.00 -0.41 -0.56 0.00 -1.00 0.00 0.00 59.36 57.39 2h56 h GLU 49 Cb 1.00 0.02 0.08 0.00 0.50 0.00 0.00 28.75 30.35 2h56 h GLU 49 CO 0.08 1.03 0.76 0.94 -1.00 0.00 0.00 179.01 180.82 2h56 n GLN 50 N -4.03 2.32 -2.94 2.33 7.27 -1.00 -1.64 117.38 119.70 2h56 n GLN 50 Ca -0.02 0.83 -0.15 0.00 0.07 0.00 0.00 57.00 57.72 2h56 n GLN 50 Cb 0.55 -2.56 -0.01 0.00 2.41 0.00 0.00 30.24 30.64 2h56 n GLN 50 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2h56 n GLN 51 N 2.51 -2.74 -4.39 3.69 6.02 -1.26 -4.96 117.38 116.25 2h56 n GLN 51 Ca 0.12 0.37 -0.22 0.00 -0.01 0.00 0.00 57.00 57.26 2h56 n GLN 51 Cb 0.33 -4.98 -0.11 0.00 1.02 0.00 0.00 30.24 26.50 2h56 n GLN 51 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2h56 s LEU 52 N -5.89 2.52 0.56 1.08 1.02 -0.65 -5.13 118.68 112.19 2h56 s LEU 52 Ca 0.20 -0.96 -0.20 0.00 0.02 0.00 0.00 54.13 53.19 2h56 s LEU 52 Cb -0.11 -0.89 -0.06 0.00 0.02 0.00 0.00 46.19 45.15 2h56 s LEU 52 CO 0.25 -0.04 1.12 -0.24 0.02 0.00 0.00 176.35 177.45 2h56 n SER 53 N -0.20 1.54 -0.16 2.29 2.88 -1.26 -4.86 113.62 113.85 2h56 n SER 53 Ca -0.09 0.90 -0.10 0.00 -1.33 0.00 0.00 58.87 58.24 2h56 n SER 53 Cb 0.59 -1.45 0.02 0.00 -0.75 0.00 0.00 64.21 62.61 2h56 n SER 53 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2h56 h ILE 54 N 0.96 1.27 0.14 2.46 2.10 -1.98 0.73 117.51 123.19 2h56 h ILE 54 Ca -0.49 -1.33 -0.01 0.00 1.08 0.00 0.00 64.86 64.11 2h56 h ILE 54 Cb 1.34 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 2h56 h ILE 54 CO 0.54 0.46 -0.07 0.11 -1.08 0.00 0.00 178.15 178.12 2h56 h LYS 55 N 0.87 -0.18 -0.02 2.19 1.57 -2.00 -2.28 116.57 116.72 2h56 h LYS 55 Ca 0.12 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2h56 h LYS 55 Cb 0.75 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2h56 h LYS 55 CO 0.06 -0.02 -0.57 0.00 -0.57 0.00 0.00 179.45 178.35 2h56 h ALA 56 N 0.54 1.02 -0.07 3.86 0.00 -1.94 -1.91 119.26 120.77 2h56 h ALA 56 Ca -0.02 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 2h56 h ALA 56 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2h56 h ALA 56 CO 0.03 0.71 -0.59 0.00 0.00 0.00 0.00 179.25 179.40 2h56 h ALA 57 N 1.38 0.87 -0.01 0.00 0.00 -0.86 -0.20 119.26 120.44 2h56 h ALA 57 Ca -0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.19 2h56 h ALA 57 Cb 1.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2h56 h ALA 57 CO 0.08 0.72 -0.67 1.03 0.00 0.00 0.00 179.25 180.41 2h56 h SER 58 N 0.17 0.61 0.05 0.00 0.87 -1.27 -1.93 113.55 112.06 2h56 h SER 58 Ca -0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 2h56 h SER 58 Cb 1.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2h56 h SER 58 CO 0.09 1.28 -0.06 0.00 -0.53 0.00 0.00 176.83 177.61 2h56 h ALA 59 N 0.35 -0.10 -0.91 6.23 0.00 -1.38 -1.35 119.26 122.10 2h56 h ALA 59 Ca -0.08 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2h56 h ALA 59 Cb 1.37 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 2h56 h ALA 59 CO 0.13 -0.57 0.57 0.82 0.00 0.00 0.00 179.25 180.21 2h56 h ILE 60 N -0.13 1.04 -0.27 0.00 5.03 -1.11 -2.86 117.51 119.21 2h56 h ILE 60 Ca 0.01 -0.35 -0.07 0.00 -0.12 0.00 0.00 64.86 64.32 2h56 h ILE 60 Cb 0.13 -0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 33.83 2h56 h ILE 60 CO -0.02 0.19 -0.11 0.22 -0.68 0.00 0.00 178.15 177.75 2h56 h TYR 61 N 1.03 0.64 -0.16 1.37 3.20 -1.02 -3.12 116.97 118.90 2h56 h TYR 61 Ca 0.40 -0.15 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 2h56 h TYR 61 Cb 0.20 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2h56 h TYR 61 CO -0.02 0.79 -0.21 0.78 -1.64 0.00 0.00 178.16 177.86 2h56 h GLY 62 N 0.30 0.30 0.54 1.82 0.00 -1.17 -0.12 103.07 104.74 2h56 h GLY 62 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.22 2h56 h GLY 62 CO 0.04 0.20 -0.11 3.21 0.00 0.00 0.00 176.54 179.87 2h56 h ARG 63 N 0.26 -0.12 -0.49 4.80 3.08 -1.54 -2.92 114.38 117.46 2h56 h ARG 63 Ca 0.05 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.13 2h56 h ARG 63 Cb 0.52 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2h56 h ARG 63 CO 0.03 -0.08 0.28 -0.39 -1.07 0.00 0.00 179.97 178.74 2h56 h VAL 64 N -0.12 1.03 -0.83 2.04 -1.51 -1.29 -2.95 116.25 112.62 2h56 h VAL 64 Ca 0.09 -0.19 0.17 0.00 -1.23 0.00 0.00 66.70 65.54 2h56 h VAL 64 Cb 0.26 0.42 -0.16 0.00 -2.13 0.00 0.00 31.29 29.68 2h56 h VAL 64 CO -0.22 0.10 -0.16 1.05 -1.23 0.00 0.00 177.57 177.11 2h56 h GLU 65 N 0.56 0.01 0.67 5.19 9.09 -0.86 -2.53 114.58 126.71 2h56 h GLU 65 Ca 0.20 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.58 2h56 h GLU 65 Cb 0.04 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 2h56 h GLU 65 CO -0.10 0.01 -0.45 1.96 0.05 0.00 0.00 179.01 180.47 2h56 h GLN 66 N 0.01 -1.02 -0.00 1.06 4.20 -1.43 -3.38 115.11 114.55 2h56 h GLN 66 Ca 0.41 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.19 2h56 h GLN 66 Cb 0.67 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2h56 h GLN 66 CO -0.83 -0.68 0.00 1.28 -0.67 0.00 0.00 178.83 177.93 2h56 n LEU 67 N -5.26 0.00 -4.33 1.46 4.32 -0.96 -5.16 117.00 107.08 2h56 n LEU 67 Ca -0.13 -0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.45 2h56 n LEU 67 Cb 0.45 -0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.26 2h56 n LEU 67 CO 0.30 0.00 -0.35 0.00 -1.22 0.00 0.00 177.39 176.12 2h56 n ALA 71 N -0.49 -2.57 -2.51 -1.18 0.00 -1.26 -5.01 120.51 107.49 2h56 n ALA 71 Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 2h56 n ALA 71 Cb 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 17.83 2h56 n ALA 71 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2h56 s LEU 72 N 3.71 4.61 -0.06 0.00 2.96 -1.26 -4.88 118.68 123.76 2h56 s LEU 72 Ca 0.60 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2h56 s LEU 72 Cb -0.58 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 2h56 s LEU 72 CO 0.62 -0.68 -0.07 -1.84 -1.32 0.00 0.00 176.35 173.06 2h56 n GLU 73 N 5.97 0.13 -4.28 1.98 -0.00 -1.26 -4.66 120.64 118.52 2h56 n GLU 73 Ca -0.04 0.05 -0.17 0.00 -0.00 0.00 0.00 57.16 57.00 2h56 n GLU 73 Cb 0.48 -0.82 -0.10 0.00 -0.00 0.00 0.00 31.44 30.99 2h56 n GLU 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2h56 s LYS 74 N -2.11 1.14 0.25 3.44 -2.85 -1.26 -4.77 119.74 113.58 2h56 s LYS 74 Ca -0.08 -1.41 -0.00 0.00 -1.00 0.00 0.00 55.97 53.47 2h56 s LYS 74 Cb 0.03 -0.93 0.31 0.00 -2.06 0.00 0.00 37.83 35.18 2h56 s LYS 74 CO 0.11 0.16 1.67 -1.35 0.10 0.00 0.00 175.35 176.04 2h56 h PRO 75 N 3.01 0.58 -1.08 1.78 0.11 -1.97 -3.09 132.00 131.34 2h56 h PRO 75 Ca -0.39 -0.24 0.43 0.00 0.11 0.00 0.00 66.00 65.92 2h56 h PRO 75 Cb 1.20 -0.03 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 2h56 h PRO 75 CO 0.57 0.79 0.62 0.39 -0.21 0.00 0.00 178.00 180.17 2h56 n GLU 76 N -4.10 -0.05 0.32 1.05 1.02 -1.26 -1.34 120.64 116.27 2h56 n GLU 76 Ca -0.00 1.33 -0.16 0.00 -0.02 0.00 0.00 57.16 58.30 2h56 n GLU 76 Cb 0.43 -2.45 -0.08 0.00 -0.02 0.00 0.00 31.44 29.32 2h56 n GLU 76 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2h56 h GLN 77 N 0.00 -0.92 0.00 3.49 4.20 -1.97 -3.06 115.11 116.85 2h56 h GLN 77 Ca 0.85 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.62 2h56 h GLN 77 Cb 2.37 0.21 0.00 0.00 0.30 0.00 0.00 27.48 30.36 2h56 h GLN 77 CO -0.68 -0.61 0.00 1.28 -0.67 0.00 0.00 178.83 178.14 2h56 n LEU 78 N -5.06 0.00 0.00 1.46 4.32 -0.45 -3.91 117.00 113.35 2h56 n LEU 78 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 2h56 n LEU 78 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2h56 n LEU 78 CO 0.26 0.00 0.00 -1.22 -1.22 0.00 0.00 177.39 175.21 2h56 n TYR 79 N -0.79 0.00 -2.49 -1.77 4.02 -1.16 -4.66 117.16 110.31 2h56 n TYR 79 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.51 2h56 n TYR 79 Cb 0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.32 2h56 n TYR 79 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2h56 s ARG 80 N 0.00 3.71 -0.23 -0.72 1.70 -1.25 -5.10 118.95 117.05 2h56 s ARG 80 Ca 0.00 -1.75 -0.30 0.00 -0.47 0.00 0.00 55.73 53.20 2h56 s ARG 80 Cb 0.00 -5.47 0.16 0.00 -0.57 0.00 0.00 34.95 29.07 2h56 s ARG 80 CO 0.00 -2.52 1.21 -1.12 -1.08 0.00 0.00 175.30 171.78 2h56 s SER 82 N 4.70 -0.17 0.00 -2.89 0.01 -1.26 -5.09 113.70 109.00 2h56 s SER 82 Ca 0.55 0.16 0.24 0.00 1.31 0.00 0.00 55.95 58.21 2h56 s SER 82 Cb 0.03 0.15 0.26 0.00 0.21 0.00 0.00 66.02 66.66 2h56 s SER 82 CO 0.07 -0.18 1.24 0.47 0.41 0.00 0.00 173.24 175.25 2h56 n ASP 83 N 0.50 0.67 0.07 2.44 8.00 -1.26 -1.77 116.55 125.20 2h56 n ASP 83 Ca -0.04 -0.51 -0.21 0.00 0.71 0.00 0.00 54.79 54.74 2h56 n ASP 83 Cb 0.58 0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 42.07 2h56 n ASP 83 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2h56 h GLU 84 N 0.01 0.66 0.29 -1.24 3.07 -2.02 -3.33 114.58 112.02 2h56 h GLU 84 Ca 0.00 -0.80 -0.01 0.00 -0.50 0.00 0.00 59.36 58.05 2h56 h GLU 84 Cb 0.50 0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 2h56 h GLU 84 CO 0.00 1.36 -0.21 0.00 -1.40 0.00 0.00 179.01 178.76 2h56 h ALA 85 N 0.34 -1.01 -0.66 3.43 0.00 -1.95 -0.55 119.26 118.87 2h56 h ALA 85 Ca -0.16 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2h56 h ALA 85 Cb 1.83 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.90 2h56 h ALA 85 CO 0.22 -1.00 0.21 1.37 0.00 0.00 0.00 179.25 180.06 2h56 h LEU 86 N -0.48 0.16 -0.67 0.00 -0.00 -1.54 0.32 115.31 113.09 2h56 h LEU 86 Ca -0.04 0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 57.91 2h56 h LEU 86 Cb 0.39 0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 2h56 h LEU 86 CO 0.02 0.08 0.27 0.03 -0.00 0.00 0.00 178.44 178.84 2h56 h ARG 87 N 0.36 1.00 0.00 0.17 3.08 -1.66 -2.22 114.38 115.12 2h56 h ARG 87 Ca 0.35 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2h56 h ARG 87 Cb 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2h56 h ARG 87 CO -0.38 0.83 0.00 0.94 -1.07 0.00 0.00 179.97 180.29 2h56 n GLN 88 N -4.40 0.21 0.00 0.04 -0.06 0.11 -4.20 117.38 109.08 2h56 n GLN 88 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2h56 n GLN 88 Cb 0.17 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 2h56 n GLN 88 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2h56 n ALA 89 N -0.80 0.00 0.00 1.69 0.00 -0.83 -5.03 120.51 115.54 2h56 n ALA 89 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2h56 n ALA 89 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2h56 n ALA 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2h56 n VAL 91 N -1.26 -0.16 -2.00 0.00 0.31 -1.23 -4.86 118.33 109.12 2h56 n VAL 91 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 2h56 n VAL 91 Cb 0.00 -0.14 0.18 0.00 -0.91 0.00 0.00 33.84 32.96 2h56 n VAL 91 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2h56 s SER 92 N -0.18 3.24 0.12 4.52 1.04 -1.26 -3.73 113.70 117.45 2h56 s SER 92 Ca 0.00 0.20 -0.20 0.00 0.48 0.00 0.00 55.95 56.43 2h56 s SER 92 Cb 0.00 -0.28 -0.08 0.00 0.10 0.00 0.00 66.02 65.77 2h56 s SER 92 CO 0.00 -2.65 1.76 0.07 0.98 0.00 0.00 173.24 173.41 2h56 h LYS 93 N -1.53 0.20 -0.29 4.02 -0.00 -1.99 1.17 116.57 118.14 2h56 h LYS 93 Ca -0.44 -0.01 0.04 0.00 -0.00 0.00 0.00 60.65 60.24 2h56 h LYS 93 Cb 1.24 -0.04 -0.04 0.00 -0.00 0.00 0.00 32.23 33.38 2h56 h LYS 93 CO 0.38 0.13 0.05 0.07 -0.00 0.00 0.00 179.45 180.08 2h56 h ARG 94 N 0.20 0.15 0.02 0.07 -0.00 -1.99 0.18 114.38 113.01 2h56 h ARG 94 Ca 0.06 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.98 59.82 2h56 h ARG 94 Cb -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 29.92 2h56 h ARG 94 CO -0.03 0.10 -0.95 0.87 -0.00 0.00 0.00 179.97 179.97 2h56 h LYS 95 N 0.16 0.20 -0.14 0.08 1.57 -1.90 -2.54 116.57 113.99 2h56 h LYS 95 Ca 0.14 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2h56 h LYS 95 Cb 0.15 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2h56 h LYS 95 CO -0.18 1.00 0.01 0.82 -0.57 0.00 0.00 179.45 180.53 2h56 h ILE 96 N 0.10 0.92 0.00 1.86 2.04 0.17 -2.72 117.51 119.88 2h56 h ILE 96 Ca -0.06 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2h56 h ILE 96 Cb 1.60 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2h56 h ILE 96 CO 0.14 0.01 0.00 -1.84 0.00 0.00 0.00 178.15 176.47 2h56 n GLU 97 N -5.10 0.00 -0.40 2.37 0.00 0.61 -2.73 120.64 115.38 2h56 n GLU 97 Ca -0.04 0.51 0.32 0.00 0.00 0.00 0.00 57.16 57.96 2h56 n GLU 97 Cb 0.08 -1.37 0.61 0.00 0.00 0.00 0.00 31.44 30.75 2h56 n GLU 97 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2h56 h TYR 98 N 0.00 0.57 -0.19 -1.84 0.05 -1.53 0.79 116.97 114.82 2h56 h TYR 98 Ca 0.00 0.02 -0.20 0.00 0.05 0.00 0.00 58.73 58.61 2h56 h TYR 98 Cb 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.60 2h56 h TYR 98 CO -0.08 -0.13 -0.66 0.82 -1.05 0.00 0.00 178.16 177.06 2h56 h ILE 99 N 0.17 1.30 -0.23 -2.88 2.04 -1.48 -2.74 117.51 113.69 2h56 h ILE 99 Ca 0.75 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 2h56 h ILE 99 Cb 2.24 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 40.16 2h56 h ILE 99 CO -0.39 0.60 -0.09 0.03 0.00 0.00 0.00 178.15 178.30 2h56 h ARG 100 N 0.52 0.38 -0.27 2.37 2.47 -0.63 -2.37 114.38 116.84 2h56 h ARG 100 Ca -0.02 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2h56 h ARG 100 Cb 1.26 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.52 2h56 h ARG 100 CO 0.13 0.48 0.14 0.45 0.56 0.00 0.00 179.97 181.73 2h56 h HIS 101 N 0.36 0.38 -0.77 3.04 3.86 -1.46 -2.88 115.15 117.68 2h56 h HIS 101 Ca 0.07 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.43 2h56 h HIS 101 Cb 0.39 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 2h56 h HIS 101 CO 0.01 0.34 0.52 0.28 0.86 0.00 0.00 177.93 179.94 2h56 h VAL 102 N 0.31 0.75 -0.05 2.45 2.07 -1.11 0.65 116.25 121.32 2h56 h VAL 102 Ca 0.09 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 2h56 h VAL 102 Cb 0.10 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2h56 h VAL 102 CO -0.01 0.06 -0.20 0.00 0.02 0.00 0.00 177.57 177.44 2h56 h GLU 104 N -0.33 0.68 -0.19 0.00 3.07 -1.03 0.81 114.58 117.59 2h56 h GLU 104 Ca -0.01 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 58.60 2h56 h GLU 104 Cb 0.85 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.61 2h56 h GLU 104 CO 0.04 0.45 -0.70 0.45 -1.40 0.00 0.00 179.01 177.85 2h56 h HIS 105 N 0.70 1.02 0.16 4.33 3.86 -0.84 -1.76 115.15 122.63 2h56 h HIS 105 Ca 0.42 -0.42 -0.31 0.00 -1.16 0.00 0.00 60.37 58.90 2h56 h HIS 105 Cb 0.64 -0.17 0.03 0.00 1.06 0.00 0.00 27.41 28.97 2h56 h HIS 105 CO -0.00 1.24 -1.32 0.28 0.86 0.00 0.00 177.93 179.00 2h56 h VAL 106 N 0.55 1.31 -0.35 2.45 2.07 -0.50 -2.58 116.25 119.20 2h56 h VAL 106 Ca -0.03 -2.61 -0.10 0.00 0.82 0.00 0.00 66.70 64.77 2h56 h VAL 106 Cb 1.31 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.90 2h56 h VAL 106 CO 0.14 0.79 -0.19 -0.33 0.02 0.00 0.00 177.57 178.00 2h56 h GLU 107 N 0.21 0.75 0.00 1.57 4.39 0.53 -3.10 114.58 118.92 2h56 h GLU 107 Ca -0.20 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 2h56 h GLU 107 Cb 2.00 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.63 2h56 h GLU 107 CO 0.25 0.95 -0.09 0.66 -1.16 0.00 0.00 179.01 179.61 2h56 h SER 108 N 0.53 0.00 -0.05 1.42 4.64 -1.41 -3.46 113.55 115.22 2h56 h SER 108 Ca 0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2h56 h SER 108 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2h56 h SER 108 CO 0.05 0.09 -0.02 0.61 -0.87 0.00 0.00 176.83 176.70 2h56 n GLY 109 N -0.61 0.49 0.06 -0.77 0.00 -1.11 -4.90 105.19 98.35 2h56 n GLY 109 Ca -0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2h56 n GLY 109 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2h56 h ARG 110 N 0.39 -0.04 -3.43 1.61 2.43 -1.79 -3.37 114.38 110.18 2h56 h ARG 110 Ca -0.02 0.00 -0.73 0.00 -0.81 0.00 0.00 59.98 58.42 2h56 h ARG 110 Cb 0.09 0.01 -0.33 0.00 -0.42 0.00 0.00 29.97 29.32 2h56 h ARG 110 CO 0.03 -0.03 0.01 -0.51 -1.51 0.00 0.00 179.97 177.96 2h56 s LEU 111 N -10.21 5.76 -0.21 3.80 1.43 -1.00 -5.02 118.68 113.23 2h56 s LEU 111 Ca -0.13 -3.54 -0.07 0.00 -1.03 0.00 0.00 54.13 49.35 2h56 s LEU 111 Cb 0.06 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2h56 s LEU 111 CO 0.66 -0.25 0.07 -1.81 0.23 0.00 0.00 176.35 175.25 2h56 s ASP 112 N 0.40 5.41 0.00 2.29 -0.00 -1.26 -4.65 116.67 118.87 2h56 s ASP 112 Ca 0.26 -0.05 0.31 0.00 -0.00 0.00 0.00 52.55 53.07 2h56 s ASP 112 Cb -0.09 -1.95 1.62 0.00 -0.00 0.00 0.00 42.92 42.50 2h56 s ASP 112 CO -0.10 0.08 2.08 0.49 -0.00 0.00 0.00 175.17 177.72 2h56 n PHE 113 N 4.16 0.00 0.00 4.23 3.72 -1.26 -5.20 117.46 123.12 2h56 n PHE 113 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2h56 n PHE 113 Cb 0.52 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2h56 n PHE 113 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2h56 n THR 114 N -0.99 0.00 0.00 4.37 -2.24 -1.26 -5.17 114.28 108.99 2h56 n THR 114 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2h56 n THR 114 Cb 0.19 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2h56 n THR 114 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2h56 n THR 122 N 0.32 0.00 0.97 4.28 -2.24 -1.26 -5.25 114.28 111.09 2h56 n THR 122 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2h56 n THR 122 Cb 0.00 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.62 2h56 n THR 122 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2h56 n THR 123 N 0.00 0.03 -0.06 4.28 5.66 -1.26 -3.92 114.28 119.01 2h56 n THR 123 Ca 0.00 -0.02 -0.13 0.00 -3.05 0.00 0.00 64.05 60.84 2h56 n THR 123 Cb 0.00 -0.07 -0.06 0.00 -1.55 0.00 0.00 70.33 68.64 2h56 n THR 123 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2h56 h VAL 124 N 0.00 1.34 -0.57 1.08 2.07 -2.03 -0.94 116.25 117.20 2h56 h VAL 124 Ca 0.00 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.12 2h56 h VAL 124 Cb 0.52 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 2h56 h VAL 124 CO 0.00 0.43 0.38 -0.29 0.02 0.00 0.00 177.57 178.11 2h56 h ILE 125 N 0.12 1.13 -0.17 4.57 6.09 -1.95 -1.79 117.51 125.52 2h56 h ILE 125 Ca 0.02 -0.26 -0.02 0.00 -1.37 0.00 0.00 64.86 63.24 2h56 h ILE 125 Cb 0.78 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.37 2h56 h ILE 125 CO 0.05 0.14 0.03 -0.08 -3.07 0.00 0.00 178.15 175.22 2h56 h GLU 126 N 0.75 0.28 0.00 2.19 4.57 -1.60 -1.97 114.58 118.81 2h56 h GLU 126 Ca 0.22 -0.08 -0.18 0.00 -1.18 0.00 0.00 59.36 58.14 2h56 h GLU 126 Cb -0.05 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2h56 h GLU 126 CO -0.05 0.45 -0.82 1.57 -1.18 0.00 0.00 179.01 178.98 2h56 h LYS 127 N 0.07 0.04 -0.19 1.92 5.09 -1.07 -3.16 116.57 119.26 2h56 h LYS 127 Ca 0.05 -0.04 -0.04 0.00 0.09 0.00 0.00 60.65 60.71 2h56 h LYS 127 Cb 0.31 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.64 2h56 h LYS 127 CO 0.00 0.84 -0.03 1.37 -2.09 0.00 0.00 179.45 179.54 2h56 h LEU 128 N 0.02 0.35 -8.73 7.07 -0.00 -1.36 -3.52 115.31 109.15 2h56 h LEU 128 Ca -0.02 -0.35 -0.56 0.00 -0.00 0.00 0.00 57.88 56.96 2h56 h LEU 128 Cb 1.44 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 41.95 2h56 h LEU 128 CO 0.11 0.62 1.07 0.42 -0.00 0.00 0.00 178.44 180.66 2h56 s THR 129 N -4.82 3.90 -0.27 0.15 -4.23 -0.74 -4.72 115.64 104.90 2h56 s THR 129 Ca -0.14 0.88 -0.09 0.00 -1.18 0.00 0.00 61.69 61.16 2h56 s THR 129 Cb 0.06 -4.30 0.01 0.00 1.34 0.00 0.00 72.50 69.61 2h56 s THR 129 CO 0.74 -0.89 0.22 2.30 -0.54 0.00 0.00 174.62 176.45 2h56 n ILE 134 N 7.01 -7.92 -4.47 2.99 -5.35 -1.26 -5.04 119.36 105.33 2h56 n ILE 134 Ca 0.15 1.03 -0.22 0.00 -0.27 0.00 0.00 62.75 63.44 2h56 n ILE 134 Cb 0.48 -5.43 -0.05 0.00 -1.74 0.00 0.00 39.64 32.90 2h56 n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2h56 n GLY 135 N 0.53 3.60 0.25 3.28 0.00 -1.26 -4.97 105.19 106.61 2h56 n GLY 135 Ca 0.01 -2.20 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 2h56 n GLY 135 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2h56 h GLN 136 N 0.00 -0.05 -0.39 1.61 5.75 -1.97 -0.79 115.11 119.27 2h56 h GLN 136 Ca -0.28 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.20 2h56 h GLN 136 Cb 0.92 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 2h56 h GLN 136 CO 0.45 -0.03 0.13 2.35 -2.65 0.00 0.00 178.83 179.08 2h56 h TRP 137 N -0.05 0.63 -0.35 3.99 7.01 -1.98 0.12 115.95 125.33 2h56 h TRP 137 Ca 0.26 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 2h56 h TRP 137 Cb 0.45 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 2h56 h TRP 137 CO -0.49 0.59 0.10 1.15 -2.79 0.00 0.00 178.44 176.99 2h56 h THR 138 N 0.49 1.21 -0.80 2.65 2.02 -1.61 -2.25 112.91 114.62 2h56 h THR 138 Ca 0.13 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.66 2h56 h THR 138 Cb 0.25 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 2h56 h THR 138 CO -0.00 0.24 0.49 0.00 0.37 0.00 0.00 175.52 176.62 2h56 h ALA 139 N 0.94 1.08 0.00 6.16 0.00 -1.13 0.20 119.26 126.50 2h56 h ALA 139 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2h56 h ALA 139 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2h56 h ALA 139 CO -0.00 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.88 2h56 n GLU 140 N -4.65 0.02 -3.04 0.00 1.02 0.02 -4.99 120.64 109.04 2h56 n GLU 140 Ca 0.11 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.09 2h56 n GLU 140 Cb 0.15 -1.06 0.01 0.00 -0.02 0.00 0.00 31.44 30.51 2h56 n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2h56 n PHE 142 N 0.54 -1.21 0.00 -0.32 7.35 0.69 -5.02 117.46 119.49 2h56 n PHE 142 Ca 0.00 0.50 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 2h56 n PHE 142 Cb 0.01 -1.40 0.00 0.00 0.35 0.00 0.00 39.48 38.44 2h56 n PHE 142 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2h56 n PHE 145 N -1.32 0.00 -0.05 -5.13 3.72 -1.26 -2.19 117.46 111.23 2h56 n PHE 145 Ca -0.15 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.17 2h56 n PHE 145 Cb 0.39 -0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2h56 n PHE 145 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2h56 n SER 146 N 0.00 3.13 -0.39 4.37 7.64 -1.26 -0.82 113.62 126.29 2h56 n SER 146 Ca 0.00 -0.05 0.12 0.00 1.01 0.00 0.00 58.87 59.95 2h56 n SER 146 Cb 0.00 -0.17 0.17 0.00 -1.01 0.00 0.00 64.21 63.20 2h56 n SER 146 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2h56 n LEU 147 N -2.82 1.60 -2.21 -3.43 4.77 -0.93 -4.90 117.00 109.07 2h56 n LEU 147 Ca -0.19 -0.54 -0.18 0.00 -0.03 0.00 0.00 56.01 55.07 2h56 n LEU 147 Cb 0.70 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2h56 n LEU 147 CO 0.10 0.30 -0.17 0.61 -1.33 0.00 0.00 177.39 176.90 2h56 n GLY 148 N 1.38 -0.37 3.72 -0.72 0.00 -1.26 -4.95 105.19 102.98 2h56 n GLY 148 Ca 0.11 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2h56 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h56 s ARG 149 N -5.07 4.58 0.00 1.61 0.52 -1.26 -4.95 118.95 114.38 2h56 s ARG 149 Ca 0.07 1.32 0.28 0.00 -0.52 0.00 0.00 55.73 56.89 2h56 s ARG 149 Cb -0.03 -3.42 1.11 0.00 0.52 0.00 0.00 34.95 33.12 2h56 s ARG 149 CO 0.09 0.08 1.78 1.28 0.02 0.00 0.00 175.30 178.54 2h56 n LEU 150 N 3.45 1.38 -2.67 2.53 4.77 -1.26 -4.37 117.00 120.83 2h56 n LEU 150 Ca 0.03 -0.46 -0.32 0.00 -0.03 0.00 0.00 56.01 55.23 2h56 n LEU 150 Cb 0.50 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2h56 n LEU 150 CO 0.51 0.23 0.75 -0.90 -1.33 0.00 0.00 177.39 176.65 2h56 n ASP 151 N 0.07 5.88 -4.14 -1.43 5.68 -1.25 -0.50 116.55 120.86 2h56 n ASP 151 Ca 0.19 -3.77 -0.27 0.00 -0.50 0.00 0.00 54.79 50.45 2h56 n ASP 151 Cb 0.34 -0.71 -0.16 0.00 -1.14 0.00 0.00 41.12 39.44 2h56 n ASP 151 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2h56 s VAL 152 N -5.34 1.49 -0.17 2.12 1.01 -1.26 -4.80 120.40 113.45 2h56 s VAL 152 Ca 0.50 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2h56 s VAL 152 Cb 0.41 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 35.55 2h56 s VAL 152 CO -0.28 0.43 -0.06 -0.22 0.00 0.00 0.00 175.10 174.96 2h56 s LEU 153 N 0.10 1.72 -0.59 3.92 2.96 -1.26 -1.54 118.68 123.98 2h56 s LEU 153 Ca -0.06 -0.70 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 2h56 s LEU 153 Cb -0.12 -0.96 0.15 0.00 0.50 0.00 0.00 46.19 45.75 2h56 s LEU 153 CO 0.03 -0.18 0.50 -0.55 -1.32 0.00 0.00 176.35 174.83 2h56 s SER 154 N 1.60 6.06 0.42 3.68 0.15 -1.26 -4.93 113.70 119.41 2h56 s SER 154 Ca 0.00 -2.17 0.20 0.00 0.70 0.00 0.00 55.95 54.69 2h56 s SER 154 Cb -0.15 -2.10 0.93 0.00 -1.71 0.00 0.00 66.02 62.98 2h56 s SER 154 CO -0.08 -0.68 1.86 0.58 1.20 0.00 0.00 173.24 176.12 2h56 h VAL 155 N 5.64 0.86 -0.01 4.45 2.07 -1.98 -1.83 116.25 125.45 2h56 h VAL 155 Ca -0.14 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2h56 h VAL 155 Cb 1.06 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2h56 h VAL 155 CO 0.87 0.28 -0.02 0.61 0.02 0.00 0.00 177.57 179.34 2h56 n GLY 156 N -0.20 -0.51 3.65 2.17 0.00 -1.26 -4.76 105.19 104.28 2h56 n GLY 156 Ca -0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 2h56 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h56 s ASP 157 N -2.07 6.93 0.25 1.61 -1.08 -0.69 -4.91 116.67 116.70 2h56 s ASP 157 Ca 0.40 1.46 -0.05 0.00 -0.52 0.00 0.00 52.55 53.84 2h56 s ASP 157 Cb 0.21 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.40 2h56 s ASP 157 CO 0.37 -0.81 1.81 0.58 0.52 0.00 0.00 175.17 177.64 2h56 h VAL 158 N 5.59 1.24 -0.80 1.11 2.07 -1.89 -1.75 116.25 121.82 2h56 h VAL 158 Ca -0.24 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.56 2h56 h VAL 158 Cb 1.09 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 2h56 h VAL 158 CO 0.99 0.32 0.48 1.23 0.02 0.00 0.00 177.57 180.61 2h56 h GLY 159 N 1.09 1.21 1.74 2.17 0.00 -1.98 -0.51 103.07 106.79 2h56 h GLY 159 Ca 0.24 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 2h56 h GLY 159 CO -0.02 0.21 -0.49 1.41 0.00 0.00 0.00 176.54 177.65 2h56 h LEU 160 N 0.87 0.30 -0.57 3.11 3.38 -1.72 -1.70 115.31 118.98 2h56 h LEU 160 Ca 0.36 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2h56 h LEU 160 Cb 0.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2h56 h LEU 160 CO -0.19 0.75 0.04 1.56 0.09 0.00 0.00 178.44 180.69 2h56 h GLN 161 N 0.22 0.99 -0.41 1.13 4.20 -0.88 0.22 115.11 120.58 2h56 h GLN 161 Ca 0.01 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 2h56 h GLN 161 Cb 0.95 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2h56 h GLN 161 CO 0.08 0.96 0.04 -0.09 -0.67 0.00 0.00 178.83 179.16 2h56 h ARG 162 N 0.88 0.70 -0.55 1.46 2.43 -0.90 -1.64 114.38 116.77 2h56 h ARG 162 Ca 0.17 -0.20 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2h56 h ARG 162 Cb 0.49 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 2h56 h ARG 162 CO 0.02 0.76 0.18 0.78 -1.51 0.00 0.00 179.97 180.20 2h56 h GLY 163 N 0.55 0.73 0.99 2.80 0.00 -1.08 -0.96 103.07 106.10 2h56 h GLY 163 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2h56 h GLY 163 CO 0.01 -0.03 0.29 0.00 0.00 0.00 0.00 176.54 176.82 2h56 h ALA 164 N 1.39 0.73 -0.62 3.60 0.00 -0.62 -0.33 119.26 123.41 2h56 h ALA 164 Ca 0.27 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2h56 h ALA 164 Cb 0.33 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2h56 h ALA 164 CO -0.30 0.28 0.21 0.87 0.00 0.00 0.00 179.25 180.31 2h56 h LYS 165 N 0.77 0.95 -0.67 0.00 1.57 -0.97 0.25 116.57 118.47 2h56 h LYS 165 Ca 0.20 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2h56 h LYS 165 Cb 0.09 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2h56 h LYS 165 CO -0.03 0.83 0.34 2.35 -0.57 0.00 0.00 179.45 182.38 2h56 h TRP 166 N 0.88 0.93 0.00 -1.35 7.01 -0.54 0.13 115.95 123.00 2h56 h TRP 166 Ca 0.20 -0.02 -0.37 0.00 2.11 0.00 0.00 58.89 60.81 2h56 h TRP 166 Cb 0.27 -0.30 -0.07 0.00 -2.10 0.00 0.00 29.16 26.96 2h56 h TRP 166 CO 0.02 0.66 -2.36 -0.11 -2.79 0.00 0.00 178.44 173.86 2h56 n LEU 167 N -4.35 0.56 -0.00 0.65 7.94 -0.19 -1.27 117.00 120.33 2h56 n LEU 167 Ca 0.06 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.98 2h56 n LEU 167 Cb 0.12 0.24 -0.01 0.00 0.53 0.00 0.00 43.42 44.29 2h56 n LEU 167 CO 0.38 0.57 -0.26 -1.22 -1.11 0.00 0.00 177.39 175.75 2h56 n TYR 168 N -2.86 0.00 -0.26 1.96 4.01 0.87 -4.71 117.16 116.17 2h56 n TYR 168 Ca -0.34 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.44 2h56 n TYR 168 Cb 1.13 -0.02 0.11 0.00 -0.31 0.00 0.00 39.34 40.24 2h56 n TYR 168 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2h56 n GLY 169 N 1.69 3.12 3.53 2.72 0.00 -0.51 -4.98 105.19 110.77 2h56 n GLY 169 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 2h56 n GLY 169 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2h56 n ASN 170 N -0.07 -5.84 0.00 1.61 2.85 -1.01 -1.57 115.26 111.23 2h56 n ASN 170 Ca 0.09 -0.53 0.00 0.00 -0.11 0.00 0.00 54.58 54.03 2h56 n ASN 170 Cb 0.43 -4.93 0.00 0.00 1.24 0.00 0.00 39.78 36.52 2h56 n ASN 170 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2h56 n GLY 171 N -1.89 0.72 2.85 8.20 0.00 0.35 -4.82 105.19 110.60 2h56 n GLY 171 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2h56 n GLY 171 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h56 n GLU 172 N -2.20 0.53 0.00 1.61 1.02 -0.61 -4.76 120.64 116.23 2h56 n GLU 172 Ca 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 2h56 n GLU 172 Cb 0.02 1.88 0.00 0.00 -0.02 0.00 0.00 31.44 33.32 2h56 n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h56 n GLY 173 N -0.45 -1.76 3.46 0.62 0.00 -1.26 -4.22 105.19 101.58 2h56 n GLY 173 Ca -0.01 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2h56 n GLY 173 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h56 s ASP 174 N -4.00 6.11 0.18 1.61 -1.08 -1.26 -4.96 116.67 113.28 2h56 s ASP 174 Ca 0.00 -0.92 -0.09 0.00 -0.52 0.00 0.00 52.55 51.02 2h56 s ASP 174 Cb 0.00 -2.16 0.07 0.00 -1.46 0.00 0.00 42.92 39.36 2h56 s ASP 174 CO 0.00 -0.46 1.64 1.23 0.52 0.00 0.00 175.17 178.10 2h56 h GLY 175 N 8.65 1.17 0.82 2.66 0.00 -1.90 0.12 103.07 114.58 2h56 h GLY 175 Ca -0.27 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.20 2h56 h GLY 175 CO 0.74 0.79 0.00 1.70 0.00 0.00 0.00 176.54 179.78 2h56 h LYS 176 N 0.99 0.02 -0.83 4.80 3.64 -1.87 -0.42 116.57 122.89 2h56 h LYS 176 Ca 0.17 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2h56 h LYS 176 Cb 0.57 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2h56 h LYS 176 CO 0.03 0.20 0.41 0.87 -2.27 0.00 0.00 179.45 178.69 2h56 h LYS 177 N -0.16 1.19 -0.96 1.90 1.57 -1.89 -2.00 116.57 116.20 2h56 h LYS 177 Ca 0.00 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2h56 h LYS 177 Cb 0.19 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2h56 h LYS 177 CO -0.00 0.91 0.63 -0.07 -0.57 0.00 0.00 179.45 180.35 2h56 h LEU 178 N 1.18 1.11 0.01 2.94 3.38 -0.41 -2.62 115.31 120.91 2h56 h LEU 178 Ca 0.29 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2h56 h LEU 178 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2h56 h LEU 178 CO -0.04 0.81 -0.01 -0.07 0.09 0.00 0.00 178.44 179.22 2h56 h LEU 179 N 1.31 -0.02 -1.42 1.67 3.38 -0.68 -1.19 115.31 118.35 2h56 h LEU 179 Ca 0.35 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.23 2h56 h LEU 179 Cb -0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2h56 h LEU 179 CO -0.08 0.17 0.49 0.40 0.09 0.00 0.00 178.44 179.52 2h56 h ILE 180 N -0.21 0.94 0.00 1.22 2.04 -1.27 0.11 117.51 120.34 2h56 h ILE 180 Ca -0.00 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2h56 h ILE 180 Cb 0.20 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2h56 h ILE 180 CO 0.00 0.12 -0.33 0.22 0.00 0.00 0.00 178.15 178.16 2h56 h TYR 181 N 0.66 0.00 -0.10 1.37 3.20 -1.33 -3.36 116.97 117.40 2h56 h TYR 181 Ca 0.34 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 2h56 h TYR 181 Cb 0.45 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2h56 h TYR 181 CO -0.00 0.51 -0.22 0.45 -1.64 0.00 0.00 178.16 177.25 2h56 h HIS 182 N -1.00 0.19 -0.07 -3.82 3.86 -1.15 -2.68 115.15 110.48 2h56 h HIS 182 Ca -0.06 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2h56 h HIS 182 Cb 0.59 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 2h56 h HIS 182 CO 0.04 0.39 0.11 0.78 0.86 0.00 0.00 177.93 180.11 2h56 h GLY 183 N 0.86 0.00 2.00 2.45 0.00 -0.95 -1.43 103.07 106.00 2h56 h GLY 183 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2h56 h GLY 183 CO 0.03 0.00 -0.12 0.50 0.00 0.00 0.00 176.54 176.96 2h56 h LYS 184 N 0.00 0.00 -0.00 4.80 1.57 -1.62 -2.67 116.57 118.65 2h56 h LYS 184 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2h56 h LYS 184 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2h56 h LYS 184 CO -0.00 0.12 -0.00 0.00 -0.57 0.00 0.00 179.45 179.00 2h56 n ALA 185 N -2.50 2.68 0.71 3.86 0.00 -0.54 -3.89 120.51 120.83 2h56 n ALA 185 Ca -0.03 -0.21 0.08 0.00 0.00 0.00 0.00 53.44 53.28 2h56 n ALA 185 Cb 0.19 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 2h56 n ALA 185 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2h56 n TRP 186 N -0.93 0.00 -1.54 0.00 8.01 -1.00 -4.70 117.44 117.28 2h56 n TRP 186 Ca 0.23 0.00 -0.50 0.00 -1.31 0.00 0.00 57.50 55.93 2h56 n TRP 186 Cb 0.13 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.39 2h56 n TRP 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2h56 n ALA 187 N -0.29 -1.47 -1.23 6.99 0.00 -1.25 -0.33 120.51 122.93 2h56 n ALA 187 Ca 0.06 0.47 -0.17 0.00 0.00 0.00 0.00 53.44 53.80 2h56 n ALA 187 Cb 0.32 -1.92 0.21 0.00 0.00 0.00 0.00 19.45 18.06 2h56 n ALA 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2h56 n PRO 188 N 1.50 2.45 -1.92 0.00 -0.04 -1.26 -4.91 135.00 130.82 2h56 n PRO 188 Ca 0.16 -3.05 -0.26 0.00 -0.04 0.00 0.00 63.50 60.30 2h56 n PRO 188 Cb 0.23 -2.12 0.03 0.00 -0.04 0.00 0.00 33.50 31.60 2h56 n PRO 188 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2h56 n TYR 189 N -0.96 2.88 -0.27 0.54 4.01 0.55 -3.82 117.16 120.09 2h56 n TYR 189 Ca 0.52 -2.42 0.04 0.00 -0.16 0.00 0.00 57.90 55.87 2h56 n TYR 189 Cb 1.51 -0.54 0.18 0.00 -0.31 0.00 0.00 39.34 40.18 2h56 n TYR 189 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2h56 h GLU 190 N 2.18 0.60 -0.99 -0.72 3.07 -1.18 -0.41 114.58 117.13 2h56 h GLU 190 Ca 0.41 -0.04 0.17 0.00 -0.50 0.00 0.00 59.36 59.40 2h56 h GLU 190 Cb 1.35 -0.13 -0.10 0.00 -0.84 0.00 0.00 28.75 29.02 2h56 h GLU 190 CO 0.93 0.40 0.60 1.15 -1.40 0.00 0.00 179.01 180.68 2h56 h THR 191 N 0.62 0.77 -0.24 1.13 2.02 0.27 -0.47 112.91 117.00 2h56 h THR 191 Ca 0.40 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 2h56 h THR 191 Cb 0.49 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2h56 h THR 191 CO -0.31 0.15 -0.00 0.58 0.37 0.00 0.00 175.52 176.30 2h56 h VAL 192 N 0.82 1.26 -0.52 3.16 2.07 -1.24 -2.09 116.25 119.70 2h56 h VAL 192 Ca 0.54 -0.91 0.11 0.00 0.82 0.00 0.00 66.70 67.26 2h56 h VAL 192 Cb 0.75 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.81 2h56 h VAL 192 CO -0.35 0.28 -0.12 0.00 0.02 0.00 0.00 177.57 177.41 2h56 h ALA 193 N 0.80 0.36 -1.00 1.67 0.00 -1.18 -2.32 119.26 117.59 2h56 h ALA 193 Ca 0.07 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.29 2h56 h ALA 193 Cb 0.42 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2h56 h ALA 193 CO 0.01 -0.43 0.63 0.00 0.00 0.00 0.00 179.25 179.46 2h56 h LEU 195 N 1.02 0.93 -0.89 0.00 3.38 -0.82 0.68 115.31 119.61 2h56 h LEU 195 Ca 0.49 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.32 2h56 h LEU 195 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2h56 h LEU 195 CO -0.25 0.73 0.09 1.88 0.09 0.00 0.00 178.44 180.97 2h56 h TYR 196 N 1.06 0.95 -0.67 1.13 0.05 -1.01 -1.16 116.97 117.31 2h56 h TYR 196 Ca 0.28 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 2h56 h TYR 196 Cb -0.03 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.41 2h56 h TYR 196 CO -0.01 0.82 0.34 -0.07 -1.05 0.00 0.00 178.16 178.19 2h56 h LEU 197 N 0.86 0.85 -0.71 3.88 4.07 0.11 0.19 115.31 124.56 2h56 h LEU 197 Ca 0.18 -0.08 -0.12 0.00 0.08 0.00 0.00 57.88 57.94 2h56 h LEU 197 Cb 0.39 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2h56 h LEU 197 CO 0.01 0.71 -0.26 -0.50 -1.08 0.00 0.00 178.44 177.32 2h56 h TRP 198 N 0.95 0.81 -0.01 1.13 6.55 -0.60 0.28 115.95 125.06 2h56 h TRP 198 Ca 0.24 -0.19 0.00 0.00 0.95 0.00 0.00 58.89 59.88 2h56 h TRP 198 Cb 0.07 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.18 2h56 h TRP 198 CO 0.01 0.89 0.01 -0.22 -1.05 0.00 0.00 178.44 178.08 2h56 h LYS 199 N 0.61 0.01 -0.70 0.49 3.64 -0.67 -1.80 116.57 118.15 2h56 h LYS 199 Ca 0.08 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 2h56 h LYS 199 Cb 0.76 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.50 2h56 h LYS 199 CO 0.06 0.03 0.33 0.00 -2.27 0.00 0.00 179.45 177.60 2h56 h ALA 200 N 0.98 0.97 0.00 5.00 0.00 -0.47 -2.31 119.26 123.43 2h56 h ALA 200 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2h56 h ALA 200 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2h56 h ALA 200 CO -0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 179.25 178.88 2h56 h ALA 201 N 1.45 1.28 -3.00 0.00 0.00 -0.70 -0.83 119.26 117.45 2h56 h ALA 201 Ca 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2h56 h ALA 201 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2h56 h ALA 201 CO -0.30 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2h56 n GLY 202 N -0.42 1.01 0.29 0.00 0.00 -0.70 -4.39 105.19 100.98 2h56 n GLY 202 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2h56 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h56 h THR 203 N 0.00 1.26 -0.40 2.61 1.03 -1.78 -2.41 112.91 113.22 2h56 h THR 203 Ca 0.00 -1.16 -0.12 0.00 -0.01 0.00 0.00 66.41 65.12 2h56 h THR 203 Cb 0.00 0.93 -0.01 0.00 -1.07 0.00 0.00 68.15 68.00 2h56 h THR 203 CO 0.00 0.41 -0.22 -0.26 -0.01 0.00 0.00 175.52 175.44 2h56 h PHE 204 N 0.83 0.99 0.00 0.00 -1.00 -1.66 -2.70 116.94 113.41 2h56 h PHE 204 Ca 0.14 -0.25 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 2h56 h PHE 204 Cb 0.58 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 2h56 h PHE 204 CO 0.03 1.03 -0.19 0.00 -1.61 0.00 0.00 178.31 177.57 2h56 h ALA 205 N 0.81 1.30 0.00 2.45 0.00 -1.02 -0.32 119.26 122.47 2h56 h ALA 205 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2h56 h ALA 205 Cb 0.79 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2h56 h ALA 205 CO 0.06 0.24 -0.12 0.93 0.00 0.00 0.00 179.25 180.36 2h56 h GLU 206 N 0.00 0.00 0.00 0.00 3.07 -1.10 -3.36 114.58 113.19 2h56 h GLU 206 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2h56 h GLU 206 Cb 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2h56 h GLU 206 CO 0.02 0.12 -1.19 0.39 -1.40 0.00 0.00 179.01 176.95 2h56 n GLU 207 N -3.36 1.65 -4.20 2.33 1.02 -0.74 -5.04 120.64 112.29 2h56 n GLU 207 Ca -0.00 -0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 56.94 2h56 n GLU 207 Cb 0.32 -1.09 -0.12 0.00 -0.02 0.00 0.00 31.44 30.53 2h56 n GLU 207 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2h56 s TYR 208 N -2.17 1.14 0.45 -0.32 2.02 -0.21 -5.03 117.35 113.24 2h56 s TYR 208 Ca -0.01 -0.43 0.11 0.00 -0.37 0.00 0.00 57.07 56.36 2h56 s TYR 208 Cb 0.02 -0.66 1.02 0.00 -0.40 0.00 0.00 41.96 41.94 2h56 s TYR 208 CO 0.14 0.04 2.08 -0.09 -1.57 0.00 0.00 175.55 176.15 2h56 h ARG 209 N 4.50 0.29 -1.62 -0.62 2.43 -1.86 -3.40 114.38 114.10 2h56 h ARG 209 Ca -0.39 -0.02 0.38 0.00 -0.81 0.00 0.00 59.98 59.13 2h56 h ARG 209 Cb 1.19 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.57 2h56 h ARG 209 CO 0.41 0.22 0.95 -1.54 -1.51 0.00 0.00 179.97 178.50 2h56 s SER 210 N -6.86 -0.01 0.37 -3.80 1.04 -1.26 -3.83 113.70 99.34 2h56 s SER 210 Ca -0.07 -0.08 0.11 0.00 0.48 0.00 0.00 55.95 56.39 2h56 s SER 210 Cb 0.17 0.07 0.87 0.00 0.10 0.00 0.00 66.02 67.23 2h56 s SER 210 CO 0.71 -0.14 1.87 0.25 0.98 0.00 0.00 173.24 176.91 2h56 h LEU 211 N 2.00 0.60 -0.89 2.42 5.85 -1.46 -0.76 115.31 123.07 2h56 h LEU 211 Ca -0.27 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 2h56 h LEU 211 Cb 1.19 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2h56 h LEU 211 CO 0.30 0.29 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.15 2h56 h GLU 212 N 0.63 0.57 -0.28 1.25 3.07 -1.92 -0.26 114.58 117.65 2h56 h GLU 212 Ca 0.45 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 2h56 h GLU 212 Cb 0.80 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 2h56 h GLU 212 CO -0.20 0.75 -0.23 1.49 -1.40 0.00 0.00 179.01 179.43 2h56 h GLU 213 N 0.51 0.64 -0.20 2.33 4.81 -1.63 -1.92 114.58 119.12 2h56 h GLU 213 Ca 0.08 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 59.04 2h56 h GLU 213 Cb 0.65 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.97 2h56 h GLU 213 CO 0.05 0.92 -0.24 1.25 -0.73 0.00 0.00 179.01 180.25 2h56 h LEU 214 N 0.37 -0.77 -1.60 1.64 5.85 -0.77 -2.36 115.31 117.68 2h56 h LEU 214 Ca 0.05 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2h56 h LEU 214 Cb 0.78 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2h56 h LEU 214 CO 0.06 -0.28 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.63 2h56 h LEU 215 N -0.27 0.00 0.00 2.25 3.38 -0.95 -2.21 115.31 117.51 2h56 h LEU 215 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2h56 h LEU 215 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2h56 h LEU 215 CO -0.36 0.17 0.00 1.41 0.09 0.00 0.00 178.44 179.76 2h56 n HIS 216 N -3.57 0.00 1.11 1.13 8.25 -0.73 -1.95 115.22 119.46 2h56 n HIS 216 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 2h56 n HIS 216 Cb 0.32 -0.45 0.22 0.00 1.12 0.00 0.00 29.99 31.20 2h56 n HIS 216 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2h56 n HIS 217 N -1.45 0.00 -1.75 4.41 8.25 -0.83 -4.98 115.22 118.86 2h56 n HIS 217 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2h56 n HIS 217 Cb 0.24 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2h56 n HIS 217 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h56 n GLY 218 N 1.42 0.69 3.56 -1.41 0.00 -0.82 -5.08 105.19 103.55 2h56 n GLY 218 Ca 0.09 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 2h56 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h56 s ASN 219 N -1.00 1.71 0.00 1.61 2.20 -1.26 -5.08 114.94 113.12 2h56 s ASN 219 Ca 0.00 1.73 0.00 0.00 -0.94 0.00 0.00 52.86 53.65 2h56 s ASN 219 Cb 0.00 -2.38 0.00 0.00 -2.00 0.00 0.00 41.25 36.87 2h56 s ASN 219 CO 0.00 -3.78 0.18 1.67 -2.94 0.00 0.00 177.10 172.23