#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncq s LEU 2 N 0.00 4.21 0.20 0.99 2.96 -1.26 -4.97 118.68 120.81 1ncq s LEU 2 Ca 0.00 1.84 -0.31 0.00 -0.22 0.00 0.00 54.13 55.44 1ncq s LEU 2 Cb 0.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 1ncq s LEU 2 CO 0.00 -0.83 1.50 -2.84 -1.32 0.00 0.00 176.35 172.86 1ncq s PRO 3 N 3.70 4.24 0.12 0.98 0.02 -1.26 -5.01 135.00 137.80 1ncq s PRO 3 Ca 0.61 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.94 1ncq s PRO 3 Cb -0.25 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1ncq s PRO 3 CO 0.19 -0.52 0.03 0.95 -0.33 0.00 0.00 177.00 177.33 1ncq s THR 4 N 0.63 0.21 -0.12 0.99 -4.23 -1.26 -5.14 115.64 106.71 1ncq s THR 4 Ca 0.65 -1.90 -0.02 0.00 -1.18 0.00 0.00 61.69 59.24 1ncq s THR 4 Cb -0.43 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.49 1ncq s THR 4 CO 0.37 -0.56 0.00 -0.89 -0.54 0.00 0.00 174.62 173.00 1ncq s THR 5 N -3.97 0.52 0.22 3.99 2.01 -1.26 -5.13 115.64 112.03 1ncq s THR 5 Ca 0.21 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1ncq s THR 5 Cb 0.07 -0.78 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 1ncq s THR 5 CO -0.00 0.11 1.04 0.42 -0.69 0.00 0.00 174.62 175.50 1ncq s THR 6 N 1.89 3.85 0.33 -0.82 -4.23 -1.26 -5.04 115.64 110.36 1ncq s THR 6 Ca 0.03 1.75 0.04 0.00 -1.18 0.00 0.00 61.69 62.33 1ncq s THR 6 Cb -0.14 -4.11 -0.02 0.00 1.34 0.00 0.00 72.50 69.57 1ncq s THR 6 CO -0.07 0.37 0.49 -0.76 -0.54 0.00 0.00 174.62 174.11 1ncq s LEU 7 N -0.94 4.02 0.41 4.79 1.43 -1.26 -5.03 118.68 122.11 1ncq s LEU 7 Ca 0.45 0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 53.37 1ncq s LEU 7 Cb -0.29 -2.95 -0.10 0.00 0.03 0.00 0.00 46.19 42.88 1ncq s LEU 7 CO 0.36 -0.35 1.36 -0.81 0.23 0.00 0.00 176.35 177.13 1ncq n PRO 8 N -1.68 2.19 0.00 1.29 -0.04 -1.26 -1.94 135.00 133.56 1ncq n PRO 8 Ca -0.03 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1ncq n PRO 8 Cb 0.57 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1ncq n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ncq n GLY 9 N 0.67 1.78 3.71 0.55 0.00 -1.26 -5.06 105.19 105.59 1ncq n GLY 9 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ncq n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ncq n SER 10 N 0.00 2.96 0.00 1.61 7.64 -0.82 -1.41 113.62 123.60 1ncq n SER 10 Ca 0.00 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1ncq n SER 10 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 1ncq n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ncq n GLY 11 N 0.88 2.31 3.82 0.23 0.00 -1.26 -5.01 105.19 106.15 1ncq n GLY 11 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1ncq n GLY 11 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ncq s GLN 12 N -0.06 3.44 -0.39 1.61 -2.07 -0.50 -5.03 119.66 116.67 1ncq s GLN 12 Ca 0.00 1.08 0.03 0.00 -1.82 0.00 0.00 55.36 54.65 1ncq s GLN 12 Cb 0.00 -2.06 0.11 0.00 -1.09 0.00 0.00 33.01 29.97 1ncq s GLN 12 CO 0.00 -0.70 0.11 0.12 -1.32 0.00 0.00 175.29 173.50 1ncq s PHE 13 N -2.63 3.64 -0.40 9.60 5.36 -1.26 -5.06 117.98 127.23 1ncq s PHE 13 Ca 0.61 -2.97 -0.18 0.00 -0.96 0.00 0.00 56.93 53.43 1ncq s PHE 13 Cb -0.14 -2.95 0.01 0.00 -0.34 0.00 0.00 43.02 39.61 1ncq s PHE 13 CO 0.39 -0.91 0.49 -1.17 -1.46 0.00 0.00 175.22 172.56 1ncq s LEU 14 N 0.69 4.64 0.38 6.12 2.96 -1.26 -4.92 118.68 127.29 1ncq s LEU 14 Ca 0.12 -0.43 0.22 0.00 -0.22 0.00 0.00 54.13 53.82 1ncq s LEU 14 Cb -0.21 -2.50 1.22 0.00 0.50 0.00 0.00 46.19 45.20 1ncq s LEU 14 CO -0.06 -0.59 1.66 0.71 -1.32 0.00 0.00 176.35 176.75 1ncq h THR 15 N 5.73 0.00 -0.01 3.68 1.35 -2.07 -0.92 112.91 120.67 1ncq h THR 15 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1ncq h THR 15 Cb 1.11 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1ncq h THR 15 CO 0.81 0.00 -0.59 0.41 -0.25 0.00 0.00 175.52 175.89 1ncq n THR 16 N -2.33 0.00 -2.10 6.82 -1.04 -1.26 -4.97 114.28 109.41 1ncq n THR 16 Ca -0.01 -0.20 -0.34 0.00 -2.04 0.00 0.00 64.05 61.46 1ncq n THR 16 Cb 0.13 1.19 0.01 0.00 -1.82 0.00 0.00 70.33 69.84 1ncq n THR 16 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ncq s ASP 17 N -2.60 5.60 -0.59 8.00 3.68 -0.35 -5.02 116.67 125.40 1ncq s ASP 17 Ca 0.16 2.04 0.04 0.00 2.13 0.00 0.00 52.55 56.92 1ncq s ASP 17 Cb 0.18 -2.56 0.16 0.00 -1.45 0.00 0.00 42.92 39.25 1ncq s ASP 17 CO 0.64 -1.29 0.41 -0.62 0.13 0.00 0.00 175.17 174.43 1ncq s ASP 18 N -2.21 3.95 0.51 -0.34 3.68 -1.26 -5.04 116.67 115.97 1ncq s ASP 18 Ca 0.69 -3.45 0.03 0.00 2.13 0.00 0.00 52.55 51.95 1ncq s ASP 18 Cb -0.21 -1.32 0.00 0.00 -1.45 0.00 0.00 42.92 39.94 1ncq s ASP 18 CO 0.32 -0.14 0.16 -0.13 0.13 0.00 0.00 175.17 175.52 1ncq s ARG 19 N -0.80 2.21 0.39 4.34 1.81 -1.26 -5.14 118.95 120.51 1ncq s ARG 19 Ca 0.25 -2.21 -0.07 0.00 -1.72 0.00 0.00 55.73 51.98 1ncq s ARG 19 Cb -0.08 -1.78 -0.05 0.00 -0.45 0.00 0.00 34.95 32.59 1ncq s ARG 19 CO -0.13 -0.43 0.70 -0.65 -0.68 0.00 0.00 175.30 174.11 1ncq s GLN 20 N -4.03 3.65 -0.04 3.54 -0.21 -1.26 -5.10 119.66 116.22 1ncq s GLN 20 Ca 0.19 0.22 -0.21 0.00 0.02 0.00 0.00 55.36 55.59 1ncq s GLN 20 Cb 0.01 -2.47 0.04 0.00 1.00 0.00 0.00 33.01 31.58 1ncq s GLN 20 CO 0.11 -0.00 0.45 -1.54 -2.12 0.00 0.00 175.29 172.19 1ncq s SER 21 N -3.48 -0.38 0.53 5.90 1.04 -1.26 -5.15 113.70 110.91 1ncq s SER 21 Ca 0.47 0.37 -0.22 0.00 0.48 0.00 0.00 55.95 57.05 1ncq s SER 21 Cb -0.10 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 1ncq s SER 21 CO 0.35 -0.48 1.30 -2.16 0.98 0.00 0.00 173.24 173.23 1ncq s PRO 22 N -1.17 3.27 -0.06 4.02 0.04 -1.26 -4.97 135.00 134.88 1ncq s PRO 22 Ca -0.12 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 1ncq s PRO 22 Cb -0.03 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1ncq s PRO 22 CO 0.06 -1.04 0.71 0.45 0.04 0.00 0.00 177.00 177.22 1ncq s SER 23 N -1.09 7.00 0.21 6.66 0.15 -1.26 -4.94 113.70 120.43 1ncq s SER 23 Ca 0.70 1.21 0.25 0.00 0.70 0.00 0.00 55.95 58.81 1ncq s SER 23 Cb -0.37 -2.42 0.89 0.00 -1.71 0.00 0.00 66.02 62.42 1ncq s SER 23 CO 0.44 -0.12 1.75 0.00 1.20 0.00 0.00 173.24 176.51 1ncq n ALA 24 N 3.76 2.04 -3.49 5.45 0.00 -1.26 -4.06 120.51 122.95 1ncq n ALA 24 Ca -0.01 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1ncq n ALA 24 Cb 0.51 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 1ncq n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ncq n LEU 25 N -2.19 2.87 -4.78 0.00 4.77 -1.26 -5.10 117.00 111.31 1ncq n LEU 25 Ca 0.04 -5.23 -0.41 0.00 -0.03 0.00 0.00 56.01 50.38 1ncq n LEU 25 Cb 0.34 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1ncq n LEU 25 CO 0.26 1.98 1.11 -2.16 -1.33 0.00 0.00 177.39 177.25 1ncq s PRO 26 N -1.94 4.16 0.00 3.23 0.04 -1.26 -2.73 135.00 136.50 1ncq s PRO 26 Ca 0.36 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1ncq s PRO 26 Cb 0.10 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1ncq s PRO 26 CO -0.07 -0.47 0.00 0.09 0.04 0.00 0.00 177.00 176.59 1ncq n ASN 27 N 0.56 -3.63 -4.74 6.66 4.13 -1.26 -4.98 115.26 112.00 1ncq n ASN 27 Ca 0.01 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.86 1ncq n ASN 27 Cb 0.40 -1.99 -0.03 0.00 -1.54 0.00 0.00 39.78 36.62 1ncq n ASN 27 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ncq s TYR 28 N -1.64 3.27 -0.41 3.10 5.04 -1.10 -4.99 117.35 120.61 1ncq s TYR 28 Ca 0.00 1.23 -0.08 0.00 -2.44 0.00 0.00 57.07 55.78 1ncq s TYR 28 Cb 0.00 -3.59 0.08 0.00 0.35 0.00 0.00 41.96 38.80 1ncq s TYR 28 CO 0.00 -1.83 0.24 -1.21 -1.34 0.00 0.00 175.55 171.41 1ncq s GLU 29 N -0.11 2.55 0.79 4.97 2.02 -1.26 -5.08 118.70 122.57 1ncq s GLU 29 Ca 0.56 -1.47 -0.13 0.00 0.02 0.00 0.00 54.97 53.96 1ncq s GLU 29 Cb -0.36 -3.73 0.07 0.00 0.10 0.00 0.00 34.13 30.21 1ncq s GLU 29 CO 0.38 -0.94 1.17 -1.25 0.02 0.00 0.00 175.26 174.65 1ncq s PRO 30 N 1.40 1.81 0.39 0.39 0.04 -1.26 -4.94 135.00 132.82 1ncq s PRO 30 Ca 0.03 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 1ncq s PRO 30 Cb -0.23 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1ncq s PRO 30 CO 0.01 -2.06 1.49 2.41 0.04 0.00 0.00 177.00 178.90 1ncq n THR 31 N -3.27 2.10 -1.64 1.26 -1.04 -1.26 -4.95 114.28 105.48 1ncq n THR 31 Ca 0.12 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.26 1ncq n THR 31 Cb 0.51 -1.97 0.06 0.00 -1.82 0.00 0.00 70.33 67.11 1ncq n THR 31 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1ncq n PRO 32 N 0.36 0.93 -3.01 -2.82 -0.02 -1.26 -4.97 135.00 124.20 1ncq n PRO 32 Ca 0.02 0.36 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 1ncq n PRO 32 Cb 0.39 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1ncq n PRO 32 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ncq s ARG 33 N -3.00 4.23 0.24 -0.52 0.52 -1.26 -5.07 118.95 114.09 1ncq s ARG 33 Ca 0.79 0.93 0.07 0.00 -0.52 0.00 0.00 55.73 57.00 1ncq s ARG 33 Cb -0.40 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.39 1ncq s ARG 33 CO 0.44 0.24 -0.10 0.96 0.02 0.00 0.00 175.30 176.86 1ncq s ILE 34 N -1.78 1.68 0.13 1.52 -4.36 -1.26 -5.10 121.20 112.03 1ncq s ILE 34 Ca 0.50 -2.17 -0.30 0.00 -0.26 0.00 0.00 60.65 58.42 1ncq s ILE 34 Cb -0.14 -2.24 -0.07 0.00 1.25 0.00 0.00 42.46 41.26 1ncq s ILE 34 CO 0.19 -0.45 1.22 -2.28 0.24 0.00 0.00 174.94 173.86 1ncq s HIS 35 N -3.00 3.41 -0.08 1.37 5.65 -1.26 -5.01 115.29 116.37 1ncq s HIS 35 Ca 0.26 1.32 -0.01 0.00 0.25 0.00 0.00 55.06 56.89 1ncq s HIS 35 Cb 0.01 -3.46 0.03 0.00 -1.18 0.00 0.00 32.58 27.98 1ncq s HIS 35 CO 0.09 -1.37 -0.03 0.42 -0.65 0.00 0.00 174.74 173.20 1ncq s ILE 36 N 0.47 0.60 0.94 0.89 1.01 -1.26 -5.14 121.20 118.70 1ncq s ILE 36 Ca 0.56 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 1ncq s ILE 36 Cb -0.32 -0.70 0.15 0.00 0.01 0.00 0.00 42.46 41.61 1ncq s ILE 36 CO 0.33 0.29 1.09 -2.16 0.00 0.00 0.00 174.94 174.49 1ncq s PRO 37 N 1.78 0.91 -0.36 2.79 0.04 -1.26 -4.22 135.00 134.67 1ncq s PRO 37 Ca 0.03 0.94 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 1ncq s PRO 37 Cb -0.13 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1ncq s PRO 37 CO -0.06 -2.51 0.04 0.41 0.04 0.00 0.00 177.00 174.92 1ncq n GLY 38 N -0.64 0.26 3.74 0.56 0.00 -1.26 -5.01 105.19 102.84 1ncq n GLY 38 Ca 0.07 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1ncq n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ncq s LYS 39 N -4.38 4.37 -0.15 1.61 2.20 -1.26 -5.02 119.74 117.11 1ncq s LYS 39 Ca 0.02 2.11 -0.02 0.00 -0.36 0.00 0.00 55.97 57.72 1ncq s LYS 39 Cb -0.01 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 1ncq s LYS 39 CO 0.02 -0.25 -0.09 0.08 -0.36 0.00 0.00 175.35 174.76 1ncq s VAL 40 N -0.16 3.38 -0.18 4.02 1.01 -1.26 -5.00 120.40 122.22 1ncq s VAL 40 Ca 0.55 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1ncq s VAL 40 Cb -0.38 -2.46 -0.15 0.00 0.00 0.00 0.00 36.38 33.39 1ncq s VAL 40 CO 0.41 0.50 -0.08 1.41 0.00 0.00 0.00 175.10 177.34 1ncq n HIS 41 N 3.71 0.00 -3.99 5.22 -0.00 -1.26 -5.02 115.22 113.88 1ncq n HIS 41 Ca -0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.41 1ncq n HIS 41 Cb 0.52 -0.75 -0.13 0.00 -0.00 0.00 0.00 29.99 29.63 1ncq n HIS 41 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1ncq s ASN 42 N -5.47 0.31 0.51 0.41 2.47 -1.26 -5.02 114.94 106.89 1ncq s ASN 42 Ca -0.19 -0.17 0.27 0.00 0.42 0.00 0.00 52.86 53.19 1ncq s ASN 42 Cb 0.06 0.00 1.35 0.00 -1.45 0.00 0.00 41.25 41.21 1ncq s ASN 42 CO 0.52 -0.05 2.03 -0.07 -3.72 0.00 0.00 177.10 175.80 1ncq h LEU 43 N 5.67 0.00 -1.47 3.21 3.38 -2.01 -0.72 115.31 123.38 1ncq h LEU 43 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ncq h LEU 43 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ncq h LEU 43 CO 0.48 0.14 0.00 -0.07 0.09 0.00 0.00 178.44 179.08 1ncq h LEU 44 N 0.00 0.00 0.09 1.67 3.38 -1.98 -2.39 115.31 116.08 1ncq h LEU 44 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ncq h LEU 44 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ncq h LEU 44 CO 0.02 0.00 -0.04 -0.33 0.09 0.00 0.00 178.44 178.18 1ncq h GLU 45 N 0.00 -0.12 0.00 1.13 5.08 -1.54 -3.34 114.58 115.79 1ncq h GLU 45 Ca 0.00 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1ncq h GLU 45 Cb 0.27 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ncq h GLU 45 CO 0.00 0.38 -0.23 -0.84 -1.00 0.00 0.00 179.01 177.32 1ncq h ILE 46 N -0.70 0.48 0.00 3.13 3.07 -1.53 -3.03 117.51 118.93 1ncq h ILE 46 Ca -0.01 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.10 1ncq h ILE 46 Cb 0.55 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 1ncq h ILE 46 CO 0.02 0.23 0.00 2.30 -1.05 0.00 0.00 178.15 179.65 1ncq n ILE 47 N -3.28 0.17 1.27 0.16 -5.35 -0.94 -1.92 119.36 109.47 1ncq n ILE 47 Ca 0.01 0.04 0.13 0.00 -0.27 0.00 0.00 62.75 62.67 1ncq n ILE 47 Cb 0.51 -0.68 0.47 0.00 -1.74 0.00 0.00 39.64 38.20 1ncq n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ncq n GLN 48 N -1.16 0.63 -3.21 6.28 6.02 -1.14 -0.73 117.38 124.06 1ncq n GLN 48 Ca 0.14 -0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 56.44 1ncq n GLN 48 Cb 0.13 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 1ncq n GLN 48 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ncq s VAL 49 N -2.58 5.09 0.31 5.09 1.01 -0.81 -4.61 120.40 123.91 1ncq s VAL 49 Ca 0.24 1.05 -0.12 0.00 0.00 0.00 0.00 61.98 63.14 1ncq s VAL 49 Cb 0.19 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1ncq s VAL 49 CO 0.52 0.19 0.68 1.51 0.00 0.00 0.00 175.10 178.01 1ncq s ASP 50 N 1.05 6.68 0.28 3.32 1.47 -1.26 -4.74 116.67 123.46 1ncq s ASP 50 Ca 0.26 1.13 0.06 0.00 1.18 0.00 0.00 52.55 55.19 1ncq s ASP 50 Cb -0.16 -2.31 -0.06 0.00 -0.34 0.00 0.00 42.92 40.05 1ncq s ASP 50 CO 0.10 -0.20 -0.03 0.42 0.68 0.00 0.00 175.17 176.14 1ncq s THR 51 N -2.01 1.49 0.28 2.11 -4.23 -1.07 -4.90 115.64 107.32 1ncq s THR 51 Ca 0.51 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.64 1ncq s THR 51 Cb -0.10 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.15 1ncq s THR 51 CO 0.21 -0.26 1.16 -0.76 -0.54 0.00 0.00 174.62 174.43 1ncq s LEU 52 N -3.43 4.51 -0.17 4.79 1.43 -1.26 -2.10 118.68 122.45 1ncq s LEU 52 Ca 0.30 2.37 -0.13 0.00 -1.03 0.00 0.00 54.13 55.65 1ncq s LEU 52 Cb 0.05 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1ncq s LEU 52 CO 0.12 -0.26 0.24 -0.63 0.23 0.00 0.00 176.35 176.06 1ncq s ILE 53 N -1.07 5.34 -1.47 -0.59 1.01 0.09 -4.80 121.20 119.71 1ncq s ILE 53 Ca 0.46 0.44 -0.11 0.00 0.00 0.00 0.00 60.65 61.43 1ncq s ILE 53 Cb -0.34 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.57 1ncq s ILE 53 CO 0.44 0.40 2.41 -0.81 0.00 0.00 0.00 174.94 177.38 1ncq n PRO 54 N 3.58 3.37 0.11 2.79 -0.04 -1.26 -4.57 135.00 138.99 1ncq n PRO 54 Ca -0.13 -2.69 0.09 0.00 -0.04 0.00 0.00 63.50 60.73 1ncq n PRO 54 Cb 0.52 -3.03 0.56 0.00 -0.04 0.00 0.00 33.50 31.51 1ncq n PRO 54 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1ncq h MET 55 N 5.54 0.21 -2.38 0.54 4.05 -1.78 -3.17 114.93 117.95 1ncq h MET 55 Ca 0.65 -0.01 -0.69 0.00 -0.28 0.00 0.00 59.70 59.36 1ncq h MET 55 Cb 0.50 -0.05 -0.17 0.00 -0.80 0.00 0.00 31.60 31.09 1ncq h MET 55 CO 1.79 0.14 1.66 -1.71 0.23 0.00 0.00 176.91 179.01 1ncq n ASN 56 N -4.49 7.55 -0.31 1.39 4.05 0.18 -4.78 115.26 118.84 1ncq n ASN 56 Ca 0.02 -3.27 0.16 0.00 0.45 0.00 0.00 54.58 51.94 1ncq n ASN 56 Cb 0.18 -1.29 0.33 0.00 1.23 0.00 0.00 39.78 40.23 1ncq n ASN 56 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 1ncq h ASN 57 N 4.07 -0.09 0.00 1.20 2.35 -1.72 -3.36 115.58 118.03 1ncq h ASN 57 Ca 0.60 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 56.58 1ncq h ASN 57 Cb 0.39 0.33 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1ncq h ASN 57 CO 1.29 -0.25 0.00 0.35 -1.65 0.00 0.00 177.43 177.17 1ncq n THR 58 N -5.30 0.00 -2.39 2.81 -2.24 -1.26 -4.70 114.28 101.19 1ncq n THR 58 Ca 0.24 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.73 1ncq n THR 58 Cb 0.78 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1ncq n THR 58 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ncq s HIS 59 N -0.61 3.58 -0.50 4.78 3.76 -1.26 -4.97 115.29 120.08 1ncq s HIS 59 Ca 0.00 0.97 0.25 0.00 -0.15 0.00 0.00 55.06 56.13 1ncq s HIS 59 Cb 0.00 -2.44 0.96 0.00 1.11 0.00 0.00 32.58 32.21 1ncq s HIS 59 CO 0.00 -0.41 1.74 0.00 -0.85 0.00 0.00 174.74 175.22 1ncq h THR 60 N 0.05 0.00 -3.60 1.30 1.03 -1.99 -3.45 112.91 106.25 1ncq h THR 60 Ca -0.46 -0.32 -0.05 0.00 -0.01 0.00 0.00 66.41 65.57 1ncq h THR 60 Cb 1.20 1.13 -0.09 0.00 -1.07 0.00 0.00 68.15 69.32 1ncq h THR 60 CO 0.62 0.00 -0.09 -1.59 -0.01 0.00 0.00 175.52 174.45 1ncq s LYS 61 N -3.29 1.59 0.03 0.00 -2.85 -1.26 -5.12 119.74 108.84 1ncq s LYS 61 Ca 0.05 -1.25 -0.30 0.00 -1.00 0.00 0.00 55.97 53.47 1ncq s LYS 61 Cb 0.10 0.48 -0.07 0.00 -2.06 0.00 0.00 37.83 36.29 1ncq s LYS 61 CO 0.45 -0.67 1.49 -0.51 0.10 0.00 0.00 175.35 176.21 1ncq s ASP 62 N -3.02 6.76 0.07 0.03 -0.00 -1.26 -4.94 116.67 114.31 1ncq s ASP 62 Ca 0.22 2.26 -0.07 0.00 -0.00 0.00 0.00 52.55 54.96 1ncq s ASP 62 Cb -0.01 -2.56 -0.01 0.00 -0.00 0.00 0.00 42.92 40.34 1ncq s ASP 62 CO 0.09 -0.77 0.15 -1.61 -0.00 0.00 0.00 175.17 173.02 1ncq s GLU 63 N 2.38 0.77 0.44 8.23 2.02 -1.26 -5.00 118.70 126.28 1ncq s GLU 63 Ca 0.67 -0.95 0.16 0.00 0.02 0.00 0.00 54.97 54.87 1ncq s GLU 63 Cb -0.35 0.31 1.06 0.00 0.10 0.00 0.00 34.13 35.25 1ncq s GLU 63 CO 0.29 -0.22 1.95 0.28 0.02 0.00 0.00 175.26 177.57 1ncq h VAL 64 N 2.96 0.83 0.00 2.63 2.07 -2.02 0.16 116.25 122.87 1ncq h VAL 64 Ca -0.34 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ncq h VAL 64 Cb 1.19 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ncq h VAL 64 CO 0.57 0.07 0.00 0.78 0.02 0.00 0.00 177.57 179.01 1ncq h ASN 65 N 0.39 0.00 0.56 0.57 2.35 -1.95 -1.85 115.58 115.65 1ncq h ASN 65 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1ncq h ASN 65 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1ncq h ASN 65 CO -0.09 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.49 1ncq n SER 66 N -2.98 0.00 -0.18 5.81 7.64 0.04 -2.07 113.62 121.89 1ncq n SER 66 Ca -0.02 0.20 0.10 0.00 1.01 0.00 0.00 58.87 60.16 1ncq n SER 66 Cb 0.11 -0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1ncq n SER 66 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ncq n TYR 67 N -1.38 0.00 -3.35 1.43 4.01 -0.69 -0.65 117.16 116.53 1ncq n TYR 67 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.41 1ncq n TYR 67 Cb 0.21 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.15 1ncq n TYR 67 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ncq s LEU 68 N -2.81 4.40 -0.43 7.72 1.43 -0.88 -4.46 118.68 123.65 1ncq s LEU 68 Ca 0.12 -0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1ncq s LEU 68 Cb 0.17 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1ncq s LEU 68 CO 0.76 -0.38 0.65 -0.63 0.23 0.00 0.00 176.35 176.98 1ncq s ILE 69 N 2.14 4.83 0.34 -0.59 1.01 -0.48 -4.65 121.20 123.79 1ncq s ILE 69 Ca 0.14 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.66 1ncq s ILE 69 Cb -0.16 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 1ncq s ILE 69 CO 0.12 -0.58 1.27 -2.16 0.00 0.00 0.00 174.94 173.59 1ncq s PRO 70 N 2.82 4.34 -0.06 2.79 0.04 -1.26 -0.48 135.00 143.19 1ncq s PRO 70 Ca 0.23 2.14 0.04 0.00 0.04 0.00 0.00 61.00 63.45 1ncq s PRO 70 Cb -0.14 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1ncq s PRO 70 CO 0.19 -0.17 -0.17 -1.17 0.04 0.00 0.00 177.00 175.71 1ncq s LEU 71 N -1.84 1.87 -0.11 -3.56 2.96 -0.69 -4.91 118.68 112.40 1ncq s LEU 71 Ca 0.49 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1ncq s LEU 71 Cb -0.38 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 1ncq s LEU 71 CO 0.50 0.12 -0.09 0.20 -1.32 0.00 0.00 176.35 175.76 1ncq s ASN 72 N 0.31 4.39 0.65 3.68 0.01 -1.26 -3.68 114.94 119.04 1ncq s ASN 72 Ca -0.11 -0.18 -0.17 0.00 -0.71 0.00 0.00 52.86 51.69 1ncq s ASN 72 Cb -0.15 -1.48 -0.01 0.00 0.41 0.00 0.00 41.25 40.03 1ncq s ASN 72 CO 0.04 0.23 1.19 0.00 -1.51 0.00 0.00 177.10 177.06 1ncq s ALA 73 N -0.03 2.40 -1.39 0.60 0.00 -1.26 -3.92 121.76 118.16 1ncq s ALA 73 Ca -0.01 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 1ncq s ALA 73 Cb -0.14 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1ncq s ALA 73 CO 0.03 -1.40 0.37 0.09 0.00 0.00 0.00 175.76 174.85 1ncq n ASN 74 N -2.07 -1.13 -4.23 0.00 4.13 -0.55 -4.92 115.26 106.49 1ncq n ASN 74 Ca 0.13 -1.15 -0.29 0.00 1.68 0.00 0.00 54.58 54.95 1ncq n ASN 74 Cb 0.50 -2.37 -0.16 0.00 -1.54 0.00 0.00 39.78 36.21 1ncq n ASN 74 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ncq s ARG 75 N -6.91 2.16 0.26 3.52 1.81 -1.25 -5.04 118.95 113.50 1ncq s ARG 75 Ca 0.14 -0.81 0.10 0.00 -1.72 0.00 0.00 55.73 53.44 1ncq s ARG 75 Cb -0.07 -1.91 -0.04 0.00 -0.45 0.00 0.00 34.95 32.48 1ncq s ARG 75 CO 0.94 0.38 -0.06 -1.14 -0.68 0.00 0.00 175.30 174.74 1ncq s GLN 76 N -0.23 2.13 0.00 3.54 0.74 -1.26 -4.39 119.66 120.19 1ncq s GLN 76 Ca 0.00 -1.47 0.00 0.00 0.05 0.00 0.00 55.36 53.94 1ncq s GLN 76 Cb -0.12 -2.08 0.00 0.00 1.10 0.00 0.00 33.01 31.92 1ncq s GLN 76 CO 0.02 0.37 0.00 0.09 -0.55 0.00 0.00 175.29 175.22 1ncq n ASN 77 N -0.71 0.00 -4.04 6.67 4.13 -1.25 -4.87 115.26 115.20 1ncq n ASN 77 Ca -0.07 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.83 1ncq n ASN 77 Cb 0.59 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.86 1ncq n ASN 77 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ncq n GLU 78 N 0.00 0.00 -3.43 3.52 1.02 -1.26 -4.20 120.64 116.29 1ncq n GLU 78 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1ncq n GLU 78 Cb 0.00 -1.00 -0.06 0.00 -0.02 0.00 0.00 31.44 30.36 1ncq n GLU 78 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1ncq s GLN 79 N -1.76 4.13 -0.14 3.49 0.74 -1.26 -1.44 119.66 123.41 1ncq s GLN 79 Ca 0.44 0.40 -0.11 0.00 0.05 0.00 0.00 55.36 56.13 1ncq s GLN 79 Cb -0.25 -3.33 -0.25 0.00 1.10 0.00 0.00 33.01 30.29 1ncq s GLN 79 CO 0.79 0.44 0.34 0.28 -0.55 0.00 0.00 175.29 176.58 1ncq n VAL 80 N 2.72 1.73 -3.75 1.34 0.31 0.11 -4.97 118.33 115.82 1ncq n VAL 80 Ca -0.11 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.69 1ncq n VAL 80 Cb 0.52 -1.82 -0.01 0.00 -0.91 0.00 0.00 33.84 31.62 1ncq n VAL 80 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1ncq s PHE 81 N -2.51 -0.11 0.19 3.52 -0.71 -1.21 -4.90 117.98 112.25 1ncq s PHE 81 Ca -0.24 -0.19 -0.22 0.00 -1.04 0.00 0.00 56.93 55.24 1ncq s PHE 81 Cb 0.06 0.64 0.05 0.00 -1.21 0.00 0.00 43.02 42.57 1ncq s PHE 81 CO 0.73 -0.80 0.61 0.20 -1.34 0.00 0.00 175.22 174.62 1ncq s GLY 82 N -2.97 -0.45 -0.25 1.99 0.00 -1.26 -1.93 107.32 102.44 1ncq s GLY 82 Ca 0.13 0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 1ncq s GLY 82 CO 0.02 0.05 1.26 -1.08 0.00 0.00 0.00 173.10 173.36 1ncq s THR 83 N -3.80 0.00 0.84 0.90 -1.32 -0.40 -4.99 115.64 106.88 1ncq s THR 83 Ca 0.04 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.40 1ncq s THR 83 Cb -0.02 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.09 1ncq s THR 83 CO -0.08 0.00 1.20 0.54 -2.21 0.00 0.00 174.62 174.07 1ncq s ASN 84 N -1.01 4.08 -0.53 8.08 4.22 -1.26 -0.80 114.94 127.72 1ncq s ASN 84 Ca 0.06 0.53 0.02 0.00 -2.14 0.00 0.00 52.86 51.33 1ncq s ASN 84 Cb -0.01 -0.89 0.44 0.00 1.28 0.00 0.00 41.25 42.07 1ncq s ASN 84 CO -0.05 -2.14 1.66 0.18 -2.04 0.00 0.00 177.10 174.71 1ncq n LEU 85 N -3.40 6.46 -4.49 3.54 4.77 -0.54 -4.73 117.00 118.61 1ncq n LEU 85 Ca 0.11 -4.58 -0.43 0.00 -0.03 0.00 0.00 56.01 51.07 1ncq n LEU 85 Cb 0.60 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1ncq n LEU 85 CO 0.52 1.79 1.20 -0.36 -1.33 0.00 0.00 177.39 179.21 1ncq s PHE 86 N -3.75 2.91 -0.72 -1.77 0.08 -1.26 -4.47 117.98 109.00 1ncq s PHE 86 Ca 0.57 -1.22 0.09 0.00 0.12 0.00 0.00 56.93 56.49 1ncq s PHE 86 Cb 0.46 -4.45 0.47 0.00 -0.57 0.00 0.00 43.02 38.93 1ncq s PHE 86 CO -0.05 -1.66 1.28 0.44 -0.10 0.00 0.00 175.22 175.13 1ncq n ILE 87 N 5.99 1.57 -0.58 0.64 -5.35 -1.26 -1.50 119.36 118.88 1ncq n ILE 87 Ca 0.28 0.55 0.09 0.00 -0.27 0.00 0.00 62.75 63.40 1ncq n ILE 87 Cb 0.49 -1.53 0.36 0.00 -1.74 0.00 0.00 39.64 37.22 1ncq n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ncq n GLY 88 N -1.27 2.67 0.53 3.28 0.00 -1.24 -4.17 105.19 104.99 1ncq n GLY 88 Ca -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1ncq n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ncq n ASP 89 N 1.07 -0.29 0.00 1.61 4.64 -0.56 -4.72 116.55 118.30 1ncq n ASP 89 Ca 0.26 -1.25 0.00 0.00 -1.38 0.00 0.00 54.79 52.42 1ncq n ASP 89 Cb 0.91 0.49 0.00 0.00 -1.04 0.00 0.00 41.12 41.48 1ncq n ASP 89 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ncq n GLY 90 N -0.08 2.04 0.34 0.27 0.00 -1.26 -2.17 105.19 104.33 1ncq n GLY 90 Ca -0.01 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.71 1ncq n GLY 90 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ncq h VAL 91 N 0.00 0.92 0.00 1.61 -1.51 -1.90 -2.60 116.25 112.78 1ncq h VAL 91 Ca 0.00 -0.12 -0.08 0.00 -1.23 0.00 0.00 66.70 65.27 1ncq h VAL 91 Cb 0.00 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 29.69 1ncq h VAL 91 CO 0.00 0.06 -0.36 -0.26 -1.23 0.00 0.00 177.57 175.78 1ncq h PHE 92 N 0.35 0.00 -1.17 5.19 -1.00 -1.76 -3.37 116.94 115.17 1ncq h PHE 92 Ca 0.23 0.00 0.36 0.00 2.81 0.00 0.00 57.97 61.37 1ncq h PHE 92 Cb 0.44 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.88 1ncq h PHE 92 CO -0.00 0.36 0.75 -0.22 -1.61 0.00 0.00 178.31 177.59 1ncq h LYS 93 N 0.00 0.22 -0.01 1.51 3.64 -1.02 -0.98 116.57 119.93 1ncq h LYS 93 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ncq h LYS 93 Cb 1.11 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1ncq h LYS 93 CO 0.05 0.14 -0.47 0.25 -2.27 0.00 0.00 179.45 177.15 1ncq n THR 94 N -4.72 0.00 -1.42 1.00 -2.24 -1.26 -3.76 114.28 101.89 1ncq n THR 94 Ca 0.32 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.62 1ncq n THR 94 Cb 1.17 0.94 0.10 0.00 -2.10 0.00 0.00 70.33 70.44 1ncq n THR 94 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ncq s THR 95 N -2.56 3.04 0.24 4.28 -4.23 -0.37 -4.75 115.64 111.28 1ncq s THR 95 Ca 0.19 0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.97 1ncq s THR 95 Cb 0.18 -2.97 0.22 0.00 1.34 0.00 0.00 72.50 71.27 1ncq s THR 95 CO 0.59 -0.44 1.89 0.25 -0.54 0.00 0.00 174.62 176.38 1ncq h LEU 96 N -1.21 0.98 0.35 4.79 5.85 -1.91 0.35 115.31 124.52 1ncq h LEU 96 Ca -0.47 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1ncq h LEU 96 Cb 1.27 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1ncq h LEU 96 CO 0.57 0.68 -0.17 0.25 -0.34 0.00 0.00 178.44 179.43 1ncq h LEU 97 N 1.15 -0.40 -1.22 2.25 5.85 -1.88 -0.76 115.31 120.30 1ncq h LEU 97 Ca 0.35 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.02 1ncq h LEU 97 Cb -0.04 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1ncq h LEU 97 CO -0.11 -0.18 0.53 1.23 -0.34 0.00 0.00 178.44 179.58 1ncq h GLY 98 N -0.60 1.13 0.84 3.75 0.00 -1.54 0.20 103.07 106.85 1ncq h GLY 98 Ca -0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ncq h GLY 98 CO 0.08 0.40 -0.02 -2.09 0.00 0.00 0.00 176.54 174.91 1ncq h GLU 99 N 1.07 -0.04 -0.41 4.80 4.57 -0.12 -2.09 114.58 122.37 1ncq h GLU 99 Ca 0.30 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.34 1ncq h GLU 99 Cb -0.09 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1ncq h GLU 99 CO -0.07 0.13 -0.30 0.82 -1.18 0.00 0.00 179.01 178.40 1ncq h ILE 100 N -0.21 1.27 -0.63 2.32 2.04 -0.85 -2.90 117.51 118.57 1ncq h ILE 100 Ca -0.00 -1.47 0.11 0.00 1.00 0.00 0.00 64.86 64.49 1ncq h ILE 100 Cb 0.19 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1ncq h ILE 100 CO 0.01 0.49 0.42 0.58 0.00 0.00 0.00 178.15 179.65 1ncq h VAL 101 N 0.74 0.88 0.00 1.67 2.07 -0.54 -0.67 116.25 120.40 1ncq h VAL 101 Ca 0.08 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1ncq h VAL 101 Cb 0.89 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ncq h VAL 101 CO 0.08 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1ncq n GLN 102 N -4.47 0.56 -0.04 1.57 6.02 -0.79 -1.82 117.38 118.41 1ncq n GLN 102 Ca 0.10 0.03 0.12 0.00 -0.01 0.00 0.00 57.00 57.25 1ncq n GLN 102 Cb 0.39 -1.50 0.39 0.00 1.02 0.00 0.00 30.24 30.55 1ncq n GLN 102 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ncq n TYR 103 N -1.08 0.10 -4.16 1.08 4.02 -0.26 -4.17 117.16 112.70 1ncq n TYR 103 Ca 0.14 -0.05 -0.13 0.00 -0.01 0.00 0.00 57.90 57.85 1ncq n TYR 103 Cb 0.10 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.31 1ncq n TYR 103 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1ncq s TYR 104 N -1.90 0.95 -0.05 -0.72 1.51 -0.75 -0.38 117.35 116.01 1ncq s TYR 104 Ca 0.35 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1ncq s TYR 104 Cb 0.20 -0.53 -0.25 0.00 -0.11 0.00 0.00 41.96 41.27 1ncq s TYR 104 CO 0.31 -0.06 0.62 1.15 -1.11 0.00 0.00 175.55 176.46 1ncq h THR 105 N 3.48 0.85 -3.84 -0.71 2.02 0.20 -3.42 112.91 111.49 1ncq h THR 105 Ca -0.36 -2.62 -0.68 0.00 0.77 0.00 0.00 66.41 63.52 1ncq h THR 105 Cb 1.18 2.53 -0.20 0.00 -1.74 0.00 0.00 68.15 69.92 1ncq h THR 105 CO 0.55 0.71 -0.82 -1.00 0.37 0.00 0.00 175.52 175.33 1ncq s HIS 106 N -2.59 2.49 0.06 3.16 3.76 -0.34 -0.93 115.29 120.90 1ncq s HIS 106 Ca -0.11 -0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 1ncq s HIS 106 Cb 0.07 -1.36 -0.02 0.00 1.11 0.00 0.00 32.58 32.39 1ncq s HIS 106 CO 0.81 0.34 0.10 1.67 -0.85 0.00 0.00 174.74 176.80 1ncq s TRP 107 N -1.07 0.28 0.08 1.40 1.48 0.35 -1.59 118.94 119.87 1ncq s TRP 107 Ca 0.16 -0.71 -0.26 0.00 -1.06 0.00 0.00 56.10 54.24 1ncq s TRP 107 Cb -0.10 -0.18 0.08 0.00 -1.16 0.00 0.00 33.47 32.11 1ncq s TRP 107 CO 0.08 -0.44 0.72 0.45 -4.06 0.00 0.00 176.95 173.70 1ncq s SER 108 N -2.67 -0.49 0.00 -2.66 0.15 -0.81 -0.54 113.70 106.69 1ncq s SER 108 Ca 0.03 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1ncq s SER 108 Cb 0.04 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1ncq s SER 108 CO -0.09 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1ncq n GLY 109 N -0.23 0.49 3.79 9.45 0.00 -1.26 -0.82 105.19 116.61 1ncq n GLY 109 Ca -0.14 -2.32 -0.33 0.00 0.00 0.00 0.00 46.02 43.23 1ncq n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ncq s SER 110 N -1.95 5.73 0.04 1.61 0.01 -1.26 -4.02 113.70 113.86 1ncq s SER 110 Ca 0.00 0.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.44 1ncq s SER 110 Cb 0.00 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 1ncq s SER 110 CO 0.00 0.29 0.16 -0.76 0.41 0.00 0.00 173.24 173.34 1ncq s LEU 111 N -1.65 4.19 -0.30 2.44 1.43 -0.95 -1.58 118.68 122.26 1ncq s LEU 111 Ca 0.22 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1ncq s LEU 111 Cb -0.12 -2.71 0.04 0.00 0.03 0.00 0.00 46.19 43.43 1ncq s LEU 111 CO 0.13 0.20 0.02 -0.60 0.23 0.00 0.00 176.35 176.33 1ncq s ARG 112 N -2.27 2.57 -0.21 1.70 3.52 0.13 -0.21 118.95 124.18 1ncq s ARG 112 Ca 0.31 -1.18 -0.05 0.00 -0.13 0.00 0.00 55.73 54.68 1ncq s ARG 112 Cb -0.13 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1ncq s ARG 112 CO 0.23 -0.59 -0.01 0.12 -0.81 0.00 0.00 175.30 174.24 1ncq s PHE 113 N 1.31 3.00 0.19 5.12 2.19 -0.19 -1.28 117.98 128.32 1ncq s PHE 113 Ca -0.03 -0.65 0.11 0.00 0.33 0.00 0.00 56.93 56.69 1ncq s PHE 113 Cb -0.19 -2.10 -0.04 0.00 -1.31 0.00 0.00 43.02 39.37 1ncq s PHE 113 CO -0.00 -0.37 -0.23 -1.12 1.83 0.00 0.00 175.22 175.32 1ncq s SER 114 N 1.24 3.36 -0.08 6.13 0.01 -0.48 -0.27 113.70 123.61 1ncq s SER 114 Ca 0.03 -0.87 -0.00 0.00 1.31 0.00 0.00 55.95 56.42 1ncq s SER 114 Cb -0.15 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.87 1ncq s SER 114 CO 0.00 0.10 -0.04 -0.76 0.41 0.00 0.00 173.24 172.96 1ncq s LEU 115 N -2.68 0.98 -0.19 2.44 1.02 -0.59 -0.37 118.68 119.29 1ncq s LEU 115 Ca 0.20 -0.16 -0.03 0.00 0.02 0.00 0.00 54.13 54.16 1ncq s LEU 115 Cb -0.08 -0.57 -0.01 0.00 0.02 0.00 0.00 46.19 45.56 1ncq s LEU 115 CO 0.10 -0.13 -0.08 -0.32 0.02 0.00 0.00 176.35 175.94 1ncq s MET 116 N 1.58 3.37 0.14 1.70 -2.45 0.25 -1.18 119.30 122.71 1ncq s MET 116 Ca 0.00 -0.65 -0.30 0.00 -1.25 0.00 0.00 55.69 53.49 1ncq s MET 116 Cb -0.13 -2.87 -0.07 0.00 1.25 0.00 0.00 34.83 33.01 1ncq s MET 116 CO -0.04 -0.06 0.96 -0.47 1.05 0.00 0.00 175.02 176.45 1ncq s TYR 117 N 1.09 3.85 0.00 4.11 6.14 -0.86 -1.56 117.35 130.13 1ncq s TYR 117 Ca 0.01 1.83 0.00 0.00 0.64 0.00 0.00 57.07 59.55 1ncq s TYR 117 Cb -0.15 -3.04 0.00 0.00 0.42 0.00 0.00 41.96 39.20 1ncq s TYR 117 CO -0.01 0.26 0.85 0.25 0.64 0.00 0.00 175.55 177.54 1ncq n THR 118 N 2.46 0.71 -1.15 4.34 -2.24 -1.02 -4.94 114.28 112.45 1ncq n THR 118 Ca 0.01 -0.83 -0.29 0.00 -2.27 0.00 0.00 64.05 60.67 1ncq n THR 118 Cb 0.49 0.66 0.16 0.00 -2.10 0.00 0.00 70.33 69.54 1ncq n THR 118 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ncq s GLY 119 N -0.71 1.59 0.60 3.38 0.00 -1.26 -4.78 107.32 106.14 1ncq s GLY 119 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.35 1ncq s GLY 119 CO 0.00 0.37 0.89 -1.55 0.00 0.00 0.00 173.10 172.81 1ncq n PRO 120 N -4.08 0.82 -0.31 2.90 -0.04 -1.26 -4.89 135.00 128.14 1ncq n PRO 120 Ca 0.06 0.32 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 1ncq n PRO 120 Cb 0.56 -2.09 0.25 0.00 -0.04 0.00 0.00 33.50 32.17 1ncq n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ncq h ALA 121 N 0.42 1.53 -0.02 0.55 0.00 -2.01 -1.79 119.26 117.94 1ncq h ALA 121 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ncq h ALA 121 Cb 1.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ncq h ALA 121 CO 0.50 0.31 0.00 1.28 0.00 0.00 0.00 179.25 181.34 1ncq n LEU 122 N -4.51 0.14 -4.99 0.00 4.77 -1.26 -4.81 117.00 106.33 1ncq n LEU 122 Ca 0.15 -0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 1ncq n LEU 122 Cb 0.24 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1ncq n LEU 122 CO 0.32 0.03 0.19 -0.94 -1.33 0.00 0.00 177.39 175.66 1ncq s SER 123 N -1.19 5.66 0.13 -1.43 1.04 -0.68 -4.23 113.70 113.00 1ncq s SER 123 Ca 0.10 -0.23 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 1ncq s SER 123 Cb 0.05 -0.89 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 1ncq s SER 123 CO 0.08 -0.77 0.22 -0.94 0.98 0.00 0.00 173.24 172.81 1ncq s SER 124 N -4.32 0.11 -0.27 7.02 1.04 -0.55 -4.98 113.70 111.76 1ncq s SER 124 Ca 0.53 -0.84 -0.34 0.00 0.48 0.00 0.00 55.95 55.77 1ncq s SER 124 Cb -0.10 0.38 0.17 0.00 0.10 0.00 0.00 66.02 66.57 1ncq s SER 124 CO 0.34 -0.82 1.33 0.00 0.98 0.00 0.00 173.24 175.08 1ncq s ALA 125 N -3.94 -2.14 -0.09 5.32 0.00 -1.26 -0.79 121.76 118.85 1ncq s ALA 125 Ca 0.14 1.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.93 1ncq s ALA 125 Cb 0.04 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1ncq s ALA 125 CO -0.04 -0.42 -0.00 0.15 0.00 0.00 0.00 175.76 175.45 1ncq s LYS 126 N -1.66 0.71 0.39 0.00 1.02 -1.26 -1.40 119.74 117.55 1ncq s LYS 126 Ca 0.10 0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.17 1ncq s LYS 126 Cb -0.01 -1.18 -0.06 0.00 -0.52 0.00 0.00 37.83 36.06 1ncq s LYS 126 CO -0.05 -0.34 0.07 -0.51 -0.92 0.00 0.00 175.35 173.60 1ncq s LEU 127 N 1.93 2.99 -0.07 3.17 1.43 -0.60 -0.20 118.68 127.32 1ncq s LEU 127 Ca 0.04 -1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 1ncq s LEU 127 Cb -0.13 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 44.91 1ncq s LEU 127 CO -0.06 -0.43 -0.01 -0.51 0.23 0.00 0.00 176.35 175.57 1ncq s ILE 128 N -2.62 0.48 -0.11 -0.59 2.07 -0.12 -0.12 121.20 120.19 1ncq s ILE 128 Ca 0.37 0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.54 1ncq s ILE 128 Cb 0.05 -0.60 -0.05 0.00 0.13 0.00 0.00 42.46 41.99 1ncq s ILE 128 CO 0.20 0.27 0.23 -0.76 -1.91 0.00 0.00 174.94 172.97 1ncq s LEU 129 N 1.80 4.35 0.01 8.50 1.02 -0.26 -1.19 118.68 132.90 1ncq s LEU 129 Ca 0.03 0.55 0.02 0.00 0.02 0.00 0.00 54.13 54.75 1ncq s LEU 129 Cb -0.13 -2.26 -0.01 0.00 0.02 0.00 0.00 46.19 43.81 1ncq s LEU 129 CO -0.05 0.28 -0.08 0.00 0.02 0.00 0.00 176.35 176.53 1ncq s ALA 130 N -0.48 0.63 -0.19 4.21 0.00 0.52 -0.72 121.76 125.74 1ncq s ALA 130 Ca 0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 1ncq s ALA 130 Cb -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1ncq s ALA 130 CO 0.05 0.11 -0.13 -0.47 0.00 0.00 0.00 175.76 175.32 1ncq s TYR 131 N -0.50 2.84 -0.38 0.00 5.04 0.20 -1.19 117.35 123.36 1ncq s TYR 131 Ca -0.00 -1.18 -0.10 0.00 -2.44 0.00 0.00 57.07 53.34 1ncq s TYR 131 Cb -0.05 -1.97 0.04 0.00 0.35 0.00 0.00 41.96 40.33 1ncq s TYR 131 CO 0.00 -0.60 0.20 0.99 -1.34 0.00 0.00 175.55 174.81 1ncq s THR 132 N 1.18 4.39 0.68 4.34 2.01 0.87 -2.80 115.64 126.31 1ncq s THR 132 Ca 0.02 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 1ncq s THR 132 Cb -0.14 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1ncq s THR 132 CO -0.05 -0.29 1.17 -2.16 -0.69 0.00 0.00 174.62 172.60 1ncq s PRO 133 N 1.51 2.52 0.60 4.92 0.04 -1.26 -0.87 135.00 142.46 1ncq s PRO 133 Ca 0.01 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1ncq s PRO 133 Cb -0.20 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1ncq s PRO 133 CO 0.05 -1.52 0.51 -0.35 0.04 0.00 0.00 177.00 175.74 1ncq n PRO 134 N -2.40 0.47 0.00 0.56 -0.04 -1.26 -4.10 135.00 128.23 1ncq n PRO 134 Ca 0.12 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1ncq n PRO 134 Cb 0.51 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1ncq n PRO 134 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ncq n GLY 135 N 1.78 1.70 3.33 0.55 0.00 -1.26 -5.03 105.19 106.25 1ncq n GLY 135 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1ncq n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncq s ALA 136 N -1.72 1.78 0.99 4.61 0.00 -1.26 -5.16 121.76 120.99 1ncq s ALA 136 Ca 0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.00 1ncq s ALA 136 Cb 0.00 0.73 0.18 0.00 0.00 0.00 0.00 23.12 24.04 1ncq s ALA 136 CO 0.00 -0.35 1.17 -0.98 0.00 0.00 0.00 175.76 175.60 1ncq s ARG 137 N -3.94 0.51 0.21 0.00 1.70 -1.26 -4.97 118.95 111.20 1ncq s ARG 137 Ca 0.32 0.07 -0.30 0.00 -0.47 0.00 0.00 55.73 55.35 1ncq s ARG 137 Cb 0.07 -1.79 -0.09 0.00 -0.57 0.00 0.00 34.95 32.57 1ncq s ARG 137 CO 0.11 -2.58 1.32 0.20 -1.08 0.00 0.00 175.30 173.26 1ncq s GLY 138 N -4.17 2.48 0.36 3.88 0.00 -1.26 -4.93 107.32 103.68 1ncq s GLY 138 Ca 0.67 1.13 -0.27 0.00 0.00 0.00 0.00 44.72 46.25 1ncq s GLY 138 CO 0.54 2.07 1.31 -1.55 0.00 0.00 0.00 173.10 175.47 1ncq n PRO 139 N 2.48 2.16 0.00 2.90 -0.04 -1.26 -4.93 135.00 136.32 1ncq n PRO 139 Ca 0.06 0.76 0.10 0.00 -0.04 0.00 0.00 63.50 64.38 1ncq n PRO 139 Cb 0.43 -2.39 -0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1ncq n PRO 139 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ncq n GLN 140 N 0.43 1.42 -3.68 0.54 6.02 -1.26 -4.92 117.38 115.93 1ncq n GLN 140 Ca 0.05 -0.96 -0.09 0.00 -0.01 0.00 0.00 57.00 55.98 1ncq n GLN 140 Cb 0.37 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 1ncq n GLN 140 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1ncq s ASP 141 N -2.23 -0.35 0.21 1.08 3.84 -1.26 -5.03 116.67 112.93 1ncq s ASP 141 Ca 0.17 -0.38 -0.09 0.00 -0.00 0.00 0.00 52.55 52.25 1ncq s ASP 141 Cb 0.16 0.63 0.27 0.00 -1.38 0.00 0.00 42.92 42.60 1ncq s ASP 141 CO 0.50 -1.12 1.80 -0.09 -0.00 0.00 0.00 175.17 176.25 1ncq h ARG 142 N 2.07 0.64 -0.60 2.11 2.43 -1.94 -2.24 114.38 116.85 1ncq h ARG 142 Ca -0.27 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.95 1ncq h ARG 142 Cb 1.27 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.61 1ncq h ARG 142 CO 0.33 0.42 0.22 -0.09 -1.51 0.00 0.00 179.97 179.34 1ncq h ARG 143 N 0.66 0.39 -0.50 0.20 2.43 -1.97 0.25 114.38 115.84 1ncq h ARG 143 Ca 0.31 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1ncq h ARG 143 Cb 0.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1ncq h ARG 143 CO -0.21 0.26 0.01 1.49 -1.51 0.00 0.00 179.97 180.02 1ncq h GLU 144 N 0.40 0.88 -0.36 0.20 4.81 -1.88 -3.05 114.58 115.59 1ncq h GLU 144 Ca 0.30 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1ncq h GLU 144 Cb 0.37 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1ncq h GLU 144 CO -0.30 0.90 -0.01 0.00 -0.73 0.00 0.00 179.01 178.87 1ncq h ALA 145 N 0.94 0.48 -0.10 2.92 0.00 -0.80 -3.03 119.26 119.67 1ncq h ALA 145 Ca 0.14 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ncq h ALA 145 Cb 0.50 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ncq h ALA 145 CO 0.02 0.26 0.20 1.98 0.00 0.00 0.00 179.25 181.71 1ncq h MET 146 N 0.44 0.00 0.00 0.00 1.85 -0.46 -1.97 114.93 114.80 1ncq h MET 146 Ca 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 1ncq h MET 146 Cb 0.48 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.51 1ncq h MET 146 CO 0.02 0.00 0.00 1.28 -0.40 0.00 0.00 176.91 177.81 1ncq n LEU 147 N -3.41 0.00 0.00 3.39 4.77 -1.15 -4.80 117.00 115.80 1ncq n LEU 147 Ca -0.00 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1ncq n LEU 147 Cb 0.29 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ncq n LEU 147 CO 0.22 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1ncq n GLY 148 N 0.43 4.30 3.68 -0.72 0.00 -0.74 -5.06 105.19 107.07 1ncq n GLY 148 Ca 0.05 -2.15 -0.45 0.00 0.00 0.00 0.00 46.02 43.46 1ncq n GLY 148 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ncq n THR 149 N -0.19 0.28 -3.89 2.61 -1.04 -1.12 -4.83 114.28 106.11 1ncq n THR 149 Ca 0.00 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 61.88 1ncq n THR 149 Cb 0.00 -1.84 -0.03 0.00 -1.82 0.00 0.00 70.33 66.64 1ncq n THR 149 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1ncq s HIS 150 N 2.40 0.02 -0.04 -1.42 -0.00 -1.26 0.58 115.29 115.57 1ncq s HIS 150 Ca 0.84 -0.42 -0.00 0.00 -0.00 0.00 0.00 55.06 55.47 1ncq s HIS 150 Cb -0.61 0.47 0.03 0.00 -0.00 0.00 0.00 32.58 32.47 1ncq s HIS 150 CO 0.41 -1.10 0.02 0.08 -0.00 0.00 0.00 174.74 174.15 1ncq s VAL 151 N -3.95 0.12 -0.35 -5.38 1.01 0.11 -4.98 120.40 106.97 1ncq s VAL 151 Ca 0.15 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 1ncq s VAL 151 Cb -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1ncq s VAL 151 CO 0.06 0.16 0.59 -0.69 0.00 0.00 0.00 175.10 175.22 1ncq s VAL 152 N 1.38 4.94 -0.26 2.92 1.01 -1.26 -1.10 120.40 128.04 1ncq s VAL 152 Ca -0.05 0.48 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 1ncq s VAL 152 Cb -0.13 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1ncq s VAL 152 CO -0.03 -0.28 0.28 0.86 0.00 0.00 0.00 175.10 175.93 1ncq s TRP 153 N 2.58 3.27 -0.32 5.22 -0.00 0.82 -4.98 118.94 125.54 1ncq s TRP 153 Ca 0.22 0.31 -0.13 0.00 -0.00 0.00 0.00 56.10 56.51 1ncq s TRP 153 Cb -0.15 -2.44 -0.03 0.00 -0.00 0.00 0.00 33.47 30.85 1ncq s TRP 153 CO 0.14 -0.11 0.24 0.34 -0.00 0.00 0.00 176.95 177.56 1ncq s ASP 154 N 1.46 6.07 0.15 5.86 3.68 -1.26 -1.56 116.67 131.06 1ncq s ASP 154 Ca 0.12 -0.26 -0.30 0.00 2.13 0.00 0.00 52.55 54.23 1ncq s ASP 154 Cb -0.15 -2.14 -0.07 0.00 -1.45 0.00 0.00 42.92 39.11 1ncq s ASP 154 CO 0.09 -0.19 1.18 -0.63 0.13 0.00 0.00 175.17 175.75 1ncq s ILE 155 N 1.77 3.76 0.00 4.11 1.01 -0.49 -4.93 121.20 126.43 1ncq s ILE 155 Ca 0.07 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.14 1ncq s ILE 155 Cb -0.17 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1ncq s ILE 155 CO 0.11 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1ncq n GLY 156 N 2.45 1.61 0.30 6.18 0.00 -1.26 -4.58 105.19 109.89 1ncq n GLY 156 Ca 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.74 1ncq n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ncq h LEU 157 N 0.00 -0.79 -8.73 0.99 6.46 -1.97 -3.27 115.31 108.00 1ncq h LEU 157 Ca 0.00 0.24 -0.57 0.00 -0.12 0.00 0.00 57.88 57.43 1ncq h LEU 157 Cb 0.00 0.51 -0.08 0.00 -0.73 0.00 0.00 40.66 40.36 1ncq h LEU 157 CO 0.00 -0.27 0.85 -1.10 -0.62 0.00 0.00 178.44 177.31 1ncq s GLN 158 N -6.22 3.71 0.44 1.25 1.11 -1.26 -4.92 119.66 113.78 1ncq s GLN 158 Ca -0.15 0.52 0.23 0.00 0.01 0.00 0.00 55.36 55.98 1ncq s GLN 158 Cb 0.22 -3.90 0.98 0.00 -1.01 0.00 0.00 33.01 29.30 1ncq s GLN 158 CO 0.75 -1.32 1.86 0.66 0.01 0.00 0.00 175.29 177.26 1ncq h SER 159 N 9.11 0.00 -3.89 5.90 4.64 -1.93 -3.46 113.55 123.92 1ncq h SER 159 Ca -0.23 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.40 1ncq h SER 159 Cb 1.06 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.94 1ncq h SER 159 CO 1.10 0.24 -0.75 -0.89 -0.87 0.00 0.00 176.83 175.67 1ncq s THR 160 N -3.79 3.26 -0.09 2.95 2.01 -1.26 -2.03 115.64 116.70 1ncq s THR 160 Ca -0.01 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1ncq s THR 160 Cb 0.11 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1ncq s THR 160 CO 0.64 0.55 -0.09 -0.51 -0.69 0.00 0.00 174.62 174.52 1ncq s ILE 161 N -0.80 3.45 -0.30 1.82 1.10 -0.33 -4.97 121.20 121.18 1ncq s ILE 161 Ca 0.13 -0.56 -0.01 0.00 -0.51 0.00 0.00 60.65 59.70 1ncq s ILE 161 Cb -0.11 -2.42 0.06 0.00 0.15 0.00 0.00 42.46 40.14 1ncq s ILE 161 CO 0.02 0.57 -0.00 -0.69 -2.11 0.00 0.00 174.94 172.73 1ncq s VAL 162 N -0.42 2.80 -0.18 4.00 1.01 -1.26 -1.54 120.40 124.81 1ncq s VAL 162 Ca 0.06 -1.56 -0.07 0.00 0.00 0.00 0.00 61.98 60.41 1ncq s VAL 162 Cb -0.12 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1ncq s VAL 162 CO 0.02 -0.17 0.06 -0.32 0.00 0.00 0.00 175.10 174.69 1ncq s MET 163 N 1.19 3.97 0.12 2.72 1.75 0.63 -4.97 119.30 124.71 1ncq s MET 163 Ca -0.04 -0.35 -0.14 0.00 -1.25 0.00 0.00 55.69 53.92 1ncq s MET 163 Cb -0.20 -3.20 -0.07 0.00 2.84 0.00 0.00 34.83 34.20 1ncq s MET 163 CO -0.03 0.28 0.51 0.99 -0.65 0.00 0.00 175.02 176.12 1ncq s THR 164 N 0.36 4.91 -0.82 10.11 2.01 -1.26 -1.02 115.64 129.92 1ncq s THR 164 Ca 0.03 0.77 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 1ncq s THR 164 Cb -0.12 -3.72 0.21 0.00 0.01 0.00 0.00 72.50 68.87 1ncq s THR 164 CO 0.00 0.28 0.69 -0.63 -0.69 0.00 0.00 174.62 174.28 1ncq s ILE 165 N -1.42 4.36 0.25 1.82 1.01 0.70 -4.94 121.20 123.00 1ncq s ILE 165 Ca 0.36 -3.46 -0.31 0.00 0.00 0.00 0.00 60.65 57.24 1ncq s ILE 165 Cb -0.15 -3.73 -0.13 0.00 0.01 0.00 0.00 42.46 38.46 1ncq s ILE 165 CO 0.19 -1.03 1.46 -0.81 0.00 0.00 0.00 174.94 174.75 1ncq n PRO 166 N 2.83 2.21 -1.51 2.79 -0.04 -1.26 -2.24 135.00 137.79 1ncq n PRO 166 Ca 0.17 0.79 -0.43 0.00 -0.04 0.00 0.00 63.50 63.99 1ncq n PRO 166 Cb 0.38 -2.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.30 1ncq n PRO 166 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1ncq n TRP 167 N 1.97 1.41 -4.00 0.54 -0.00 -1.26 -4.88 117.44 111.22 1ncq n TRP 167 Ca 0.11 0.18 -0.31 0.00 -0.00 0.00 0.00 57.50 57.48 1ncq n TRP 167 Cb 0.33 -2.57 -0.15 0.00 -0.00 0.00 0.00 31.31 28.92 1ncq n TRP 167 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1ncq s THR 168 N 9.56 2.35 0.15 5.87 2.01 -1.26 -5.02 115.64 129.30 1ncq s THR 168 Ca 1.09 -2.61 -0.23 0.00 0.31 0.00 0.00 61.69 60.25 1ncq s THR 168 Cb -0.60 -2.71 0.07 0.00 0.01 0.00 0.00 72.50 69.26 1ncq s THR 168 CO 0.39 -0.66 0.59 -0.55 -0.69 0.00 0.00 174.62 173.71 1ncq s SER 169 N 0.58 -0.56 -0.11 3.53 0.15 -1.26 -4.79 113.70 111.23 1ncq s SER 169 Ca 0.13 0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.73 1ncq s SER 169 Cb -0.21 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1ncq s SER 169 CO -0.06 -0.95 -0.13 1.23 1.20 0.00 0.00 173.24 174.53 1ncq h GLY 170 N 2.07 0.00 -3.57 9.45 0.00 -1.98 -3.45 103.07 105.58 1ncq h GLY 170 Ca -0.34 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.47 1ncq h GLY 170 CO 0.38 0.00 0.62 0.54 0.00 0.00 0.00 176.54 178.08 1ncq s VAL 171 N -1.97 2.69 -1.70 4.60 0.11 -1.26 -4.91 120.40 117.96 1ncq s VAL 171 Ca -0.11 0.64 0.26 0.00 -2.93 0.00 0.00 61.98 59.84 1ncq s VAL 171 Cb 0.02 -3.39 0.59 0.00 -1.53 0.00 0.00 36.38 32.07 1ncq s VAL 171 CO 0.16 0.12 1.89 0.00 -3.33 0.00 0.00 175.10 173.94 1ncq n GLN 172 N 0.38 0.58 -3.83 1.54 0.00 -1.26 -4.82 117.38 109.97 1ncq n GLN 172 Ca 0.02 0.02 -0.11 0.00 0.00 0.00 0.00 57.00 56.94 1ncq n GLN 172 Cb 0.43 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.08 1ncq n GLN 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1ncq s PHE 173 N -2.30 -0.00 0.22 2.61 0.08 -1.26 -4.76 117.98 112.57 1ncq s PHE 173 Ca 0.32 -0.13 0.08 0.00 0.12 0.00 0.00 56.93 57.32 1ncq s PHE 173 Cb 0.18 0.00 -0.05 0.00 -0.57 0.00 0.00 43.02 42.58 1ncq s PHE 173 CO 0.35 -0.40 -0.13 1.03 -0.10 0.00 0.00 175.22 175.96 1ncq s ARG 174 N -2.09 1.39 0.13 0.44 0.52 0.30 -4.94 118.95 114.71 1ncq s ARG 174 Ca -0.09 -1.64 -0.24 0.00 -0.52 0.00 0.00 55.73 53.25 1ncq s ARG 174 Cb -0.03 -1.18 -0.07 0.00 0.52 0.00 0.00 34.95 34.19 1ncq s ARG 174 CO -0.01 0.17 0.72 0.71 0.02 0.00 0.00 175.30 176.91 1ncq s TYR 175 N -2.94 3.87 0.28 -0.53 1.51 -1.26 -0.50 117.35 117.78 1ncq s TYR 175 Ca 0.24 1.52 0.08 0.00 -1.01 0.00 0.00 57.07 57.90 1ncq s TYR 175 Cb -0.00 -2.69 0.39 0.00 -0.11 0.00 0.00 41.96 39.54 1ncq s TYR 175 CO 0.08 0.52 1.64 1.79 -1.11 0.00 0.00 175.55 178.48 1ncq h THR 176 N 3.43 1.38 -3.13 -0.71 1.35 -1.29 -3.41 112.91 110.52 1ncq h THR 176 Ca -0.48 -1.85 -0.55 0.00 -0.55 0.00 0.00 66.41 62.99 1ncq h THR 176 Cb 1.21 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 69.55 1ncq h THR 176 CO 0.66 0.54 0.66 -0.62 -0.25 0.00 0.00 175.52 176.50 1ncq s ASP 177 N -6.88 7.09 -0.39 5.36 3.68 -1.26 -3.72 116.67 120.54 1ncq s ASP 177 Ca -0.03 1.79 -0.42 0.00 2.13 0.00 0.00 52.55 56.02 1ncq s ASP 177 Cb 0.13 -2.56 -0.17 0.00 -1.45 0.00 0.00 42.92 38.87 1ncq s ASP 177 CO 0.77 -0.54 1.88 -2.65 0.13 0.00 0.00 175.17 174.76 1ncq n PRO 178 N 5.01 0.63 -3.80 4.34 -0.02 -1.26 -4.94 135.00 134.96 1ncq n PRO 178 Ca 0.10 0.21 -0.16 0.00 -2.02 0.00 0.00 63.50 61.63 1ncq n PRO 178 Cb 0.47 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.88 1ncq n PRO 178 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ncq s ASP 179 N 4.64 0.35 0.10 2.55 -1.08 -1.26 -5.09 116.67 116.88 1ncq s ASP 179 Ca 1.07 0.02 -0.26 0.00 -0.52 0.00 0.00 52.55 52.86 1ncq s ASP 179 Cb -1.22 -0.13 -0.11 0.00 -1.46 0.00 0.00 42.92 40.00 1ncq s ASP 179 CO 0.67 -0.14 1.67 0.74 0.52 0.00 0.00 175.17 178.62 1ncq h THR 180 N 6.30 0.58 -0.44 1.71 2.02 -1.99 -1.90 112.91 119.19 1ncq h THR 180 Ca -0.40 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.90 1ncq h THR 180 Cb 1.12 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1ncq h THR 180 CO 0.43 0.00 0.31 0.22 0.37 0.00 0.00 175.52 176.85 1ncq h TYR 181 N -0.39 0.03 -0.61 3.16 5.03 -2.01 -1.00 116.97 121.18 1ncq h TYR 181 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1ncq h TYR 181 Cb 0.39 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.66 1ncq h TYR 181 CO -0.16 0.01 0.00 -2.37 -1.32 0.00 0.00 178.16 174.32 1ncq n THR 182 N -4.42 1.69 -1.72 1.81 5.66 -0.90 -5.01 114.28 111.39 1ncq n THR 182 Ca 0.07 -1.09 -0.38 0.00 -3.05 0.00 0.00 64.05 59.60 1ncq n THR 182 Cb 0.50 0.10 0.05 0.00 -1.55 0.00 0.00 70.33 69.42 1ncq n THR 182 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ncq n SER 183 N 1.06 2.29 0.00 1.09 3.41 -0.38 -4.63 113.62 116.46 1ncq n SER 183 Ca 0.24 0.92 0.11 0.00 -0.26 0.00 0.00 58.87 59.88 1ncq n SER 183 Cb 0.84 -1.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.19 1ncq n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ncq n ALA 184 N -1.35 4.16 0.00 7.33 0.00 -1.26 -4.73 120.51 124.66 1ncq n ALA 184 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1ncq n ALA 184 Cb 0.46 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1ncq n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ncq n GLY 185 N 1.45 0.07 3.07 0.00 0.00 -1.26 -4.19 105.19 104.33 1ncq n GLY 185 Ca 0.03 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 1ncq n GLY 185 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ncq s PHE 186 N 0.00 0.60 -0.06 1.61 0.08 -0.05 -1.46 117.98 118.71 1ncq s PHE 186 Ca 0.00 -0.67 0.04 0.00 0.12 0.00 0.00 56.93 56.42 1ncq s PHE 186 Cb 0.00 -0.38 0.00 0.00 -0.57 0.00 0.00 43.02 42.08 1ncq s PHE 186 CO 0.00 -0.16 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.61 1ncq s LEU 187 N -2.03 1.90 0.09 -0.37 2.96 0.02 -0.09 118.68 121.16 1ncq s LEU 187 Ca -0.05 -0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 1ncq s LEU 187 Cb -0.04 -1.06 -0.00 0.00 0.50 0.00 0.00 46.19 45.58 1ncq s LEU 187 CO -0.02 0.14 0.18 -0.94 -1.32 0.00 0.00 176.35 174.38 1ncq s SER 188 N 0.21 0.14 -0.01 3.68 1.04 -0.33 -1.28 113.70 117.16 1ncq s SER 188 Ca -0.09 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.67 1ncq s SER 188 Cb -0.14 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ncq s SER 188 CO 0.04 -0.72 -0.04 0.00 0.98 0.00 0.00 173.24 173.49 1ncq s TRP 190 N 0.03 1.20 -0.18 0.00 0.52 -0.34 0.06 118.94 120.24 1ncq s TRP 190 Ca 0.00 -1.17 -0.27 0.00 0.02 0.00 0.00 56.10 54.68 1ncq s TRP 190 Cb -0.03 -0.67 -0.01 0.00 -1.15 0.00 0.00 33.47 31.61 1ncq s TRP 190 CO -0.00 -0.38 0.94 0.71 0.02 0.00 0.00 176.95 178.24 1ncq s TYR 191 N -3.85 3.41 -0.08 -1.98 1.51 -0.52 -0.94 117.35 114.89 1ncq s TYR 191 Ca 0.30 1.40 -0.25 0.00 -1.01 0.00 0.00 57.07 57.51 1ncq s TYR 191 Cb 0.07 -3.14 -0.29 0.00 -0.11 0.00 0.00 41.96 38.48 1ncq s TYR 191 CO 0.07 -0.32 0.85 0.37 -1.11 0.00 0.00 175.55 175.40 1ncq h GLN 192 N 7.34 0.19 0.00 -0.62 5.75 -0.84 -3.32 115.11 123.60 1ncq h GLN 192 Ca -0.26 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 57.92 1ncq h GLN 192 Cb 1.11 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.78 1ncq h GLN 192 CO 0.89 1.15 0.00 0.25 -2.65 0.00 0.00 178.83 178.47 1ncq n THR 193 N -4.31 0.00 0.00 2.39 -2.24 -0.97 -4.81 114.28 104.35 1ncq n THR 193 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ncq n THR 193 Cb 0.69 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1ncq n THR 193 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ncq n SER 194 N -0.03 0.00 -4.70 3.42 3.41 -1.26 -4.36 113.62 110.10 1ncq n SER 194 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1ncq n SER 194 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1ncq n SER 194 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ncq s LEU 195 N 0.00 4.30 -0.15 1.04 2.96 -1.26 -4.11 118.68 121.46 1ncq s LEU 195 Ca 0.00 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 1ncq s LEU 195 Cb 0.00 -3.25 0.01 0.00 0.50 0.00 0.00 46.19 43.45 1ncq s LEU 195 CO 0.00 -0.22 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.98 1ncq s ILE 196 N 1.15 2.18 0.12 6.68 -1.09 0.03 -1.48 121.20 128.79 1ncq s ILE 196 Ca 0.42 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 1ncq s ILE 196 Cb -0.18 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 1ncq s ILE 196 CO 0.20 0.54 0.28 -0.76 -1.23 0.00 0.00 174.94 173.97 1ncq s LEU 197 N 0.86 4.32 0.79 2.97 1.43 -1.26 -1.48 118.68 126.31 1ncq s LEU 197 Ca -0.06 0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 1ncq s LEU 197 Cb -0.15 -3.01 0.10 0.00 0.03 0.00 0.00 46.19 43.15 1ncq s LEU 197 CO -0.03 0.09 1.12 -2.16 0.23 0.00 0.00 176.35 175.61 1ncq s PRO 198 N -2.88 1.79 0.84 1.29 0.04 -1.26 -4.99 135.00 129.83 1ncq s PRO 198 Ca 0.36 -0.23 -0.13 0.00 0.04 0.00 0.00 61.00 61.05 1ncq s PRO 198 Cb -0.12 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.46 1ncq s PRO 198 CO 0.28 -1.59 1.07 -2.30 0.04 0.00 0.00 177.00 174.50 1ncq n PRO 199 N -3.20 -0.01 -1.19 0.56 -0.02 -1.26 -2.61 135.00 127.26 1ncq n PRO 199 Ca 0.10 0.07 -0.08 0.00 -2.02 0.00 0.00 63.50 61.57 1ncq n PRO 199 Cb 0.60 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1ncq n PRO 199 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ncq n GLU 200 N -3.20 -1.78 -5.04 -0.52 -0.58 -1.26 -4.94 120.64 103.33 1ncq n GLU 200 Ca 0.12 0.74 -0.32 0.00 -0.42 0.00 0.00 57.16 57.28 1ncq n GLU 200 Cb 0.51 -5.11 -0.16 0.00 -0.57 0.00 0.00 31.44 26.11 1ncq n GLU 200 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ncq s THR 201 N -1.62 2.52 0.04 2.62 2.01 -1.07 -5.12 115.64 115.01 1ncq s THR 201 Ca 0.00 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 1ncq s THR 201 Cb 0.00 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1ncq s THR 201 CO 0.00 0.55 -0.03 0.28 -0.69 0.00 0.00 174.62 174.73 1ncq s THR 202 N 0.14 0.20 0.00 -0.82 -1.32 -1.26 -4.78 115.64 107.80 1ncq s THR 202 Ca -0.10 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1ncq s THR 202 Cb -0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1ncq s THR 202 CO 0.06 -0.78 0.00 0.61 -2.21 0.00 0.00 174.62 172.30 1ncq n GLY 203 N 0.73 0.93 3.37 6.08 0.00 -1.26 -4.98 105.19 110.06 1ncq n GLY 203 Ca -0.18 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 1ncq n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ncq s GLN 204 N 0.00 2.33 0.15 1.61 -0.21 -1.26 -4.67 119.66 117.61 1ncq s GLN 204 Ca 0.00 -0.84 0.06 0.00 0.02 0.00 0.00 55.36 54.61 1ncq s GLN 204 Cb 0.00 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 1ncq s GLN 204 CO 0.00 0.56 0.01 0.14 -2.12 0.00 0.00 175.29 173.88 1ncq s VAL 205 N -0.59 3.87 0.22 1.09 -7.23 -1.24 -5.01 120.40 111.52 1ncq s VAL 205 Ca 0.09 -1.27 0.09 0.00 -1.81 0.00 0.00 61.98 59.08 1ncq s VAL 205 Cb -0.11 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 1ncq s VAL 205 CO 0.00 -0.05 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.27 1ncq s TYR 206 N -1.61 1.88 0.03 2.82 1.51 -1.26 -1.70 117.35 119.02 1ncq s TYR 206 Ca 0.27 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 55.90 1ncq s TYR 206 Cb -0.10 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1ncq s TYR 206 CO 0.19 0.46 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.42 1ncq s LEU 207 N -3.32 2.72 -0.14 -1.29 1.43 0.36 -2.42 118.68 116.03 1ncq s LEU 207 Ca 0.24 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1ncq s LEU 207 Cb -0.02 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1ncq s LEU 207 CO 0.09 0.27 -0.07 -0.76 0.23 0.00 0.00 176.35 176.11 1ncq s LEU 208 N -1.40 3.08 -0.02 1.79 1.02 -0.60 -1.38 118.68 121.17 1ncq s LEU 208 Ca 0.15 -0.18 0.03 0.00 0.02 0.00 0.00 54.13 54.16 1ncq s LEU 208 Cb -0.11 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 1ncq s LEU 208 CO 0.05 0.19 -0.09 -0.94 0.02 0.00 0.00 176.35 175.59 1ncq s SER 209 N 0.20 4.43 0.18 2.29 1.04 -1.26 -0.58 113.70 120.00 1ncq s SER 209 Ca -0.04 -0.16 0.08 0.00 0.48 0.00 0.00 55.95 56.31 1ncq s SER 209 Cb -0.14 -1.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.93 1ncq s SER 209 CO 0.04 0.31 -0.17 -0.36 0.98 0.00 0.00 173.24 174.03 1ncq s PHE 210 N -0.91 1.80 -0.00 5.02 0.40 0.50 -0.73 117.98 124.06 1ncq s PHE 210 Ca 0.15 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1ncq s PHE 210 Cb -0.11 -0.88 0.00 0.00 0.51 0.00 0.00 43.02 42.55 1ncq s PHE 210 CO 0.05 0.35 -0.00 -1.50 0.70 0.00 0.00 175.22 174.81 1ncq s ILE 211 N -2.30 0.02 0.24 0.64 1.10 -0.89 -1.38 121.20 118.63 1ncq s ILE 211 Ca 0.18 -0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 60.09 1ncq s ILE 211 Cb -0.04 -0.03 0.03 0.00 0.15 0.00 0.00 42.46 42.57 1ncq s ILE 211 CO 0.07 0.01 0.74 -0.94 -2.11 0.00 0.00 174.94 172.71 1ncq s SER 212 N 0.03 -0.29 0.11 4.50 1.04 -0.41 -2.60 113.70 116.09 1ncq s SER 212 Ca -0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1ncq s SER 212 Cb -0.01 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1ncq s SER 212 CO -0.00 -1.23 0.27 0.00 0.98 0.00 0.00 173.24 173.25 1ncq s ALA 213 N -3.80 3.96 0.51 5.32 0.00 0.09 0.21 121.76 128.05 1ncq s ALA 213 Ca 0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1ncq s ALA 213 Cb -0.05 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 1ncq s ALA 213 CO 0.04 0.69 0.78 0.00 0.00 0.00 0.00 175.76 177.27 1ncq n PRO 215 N -2.31 0.01 -0.24 0.00 -0.04 -1.26 -1.15 135.00 130.00 1ncq n PRO 215 Ca 0.02 0.37 -0.04 0.00 -0.04 0.00 0.00 63.50 63.81 1ncq n PRO 215 Cb 0.57 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1ncq n PRO 215 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ncq h ASP 216 N 0.00 0.73 -1.25 3.54 3.58 -1.91 -3.47 116.42 117.64 1ncq h ASP 216 Ca 0.00 -0.01 -0.71 0.00 0.42 0.00 0.00 57.03 56.73 1ncq h ASP 216 Cb 0.02 -0.17 0.08 0.00 1.72 0.00 0.00 39.33 40.99 1ncq h ASP 216 CO 0.00 0.51 -0.11 0.33 -2.88 0.00 0.00 179.24 177.09 1ncq n PHE 217 N -4.65 0.39 -4.21 0.28 7.35 -0.30 -4.59 117.46 111.73 1ncq n PHE 217 Ca 0.07 0.93 -0.16 0.00 -0.76 0.00 0.00 57.45 57.52 1ncq n PHE 217 Cb 0.06 -2.09 -0.14 0.00 0.35 0.00 0.00 39.48 37.67 1ncq n PHE 217 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1ncq s LYS 218 N -0.49 0.59 -0.04 -4.13 1.02 0.00 -4.97 119.74 111.72 1ncq s LYS 218 Ca 0.76 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 56.28 1ncq s LYS 218 Cb -1.03 -0.52 0.02 0.00 -0.52 0.00 0.00 37.83 35.78 1ncq s LYS 218 CO 0.56 0.13 0.09 -1.17 -0.92 0.00 0.00 175.35 174.04 1ncq s LEU 219 N -0.68 1.20 0.17 3.17 2.96 -1.26 -1.92 118.68 122.31 1ncq s LEU 219 Ca -0.01 0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.95 1ncq s LEU 219 Cb -0.05 0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.88 1ncq s LEU 219 CO 0.00 -0.09 0.39 0.00 -1.32 0.00 0.00 176.35 175.33 1ncq s ARG 220 N 0.68 1.21 -0.28 1.98 1.70 -0.62 -5.00 118.95 118.62 1ncq s ARG 220 Ca -0.05 -0.96 -0.10 0.00 -0.47 0.00 0.00 55.73 54.15 1ncq s ARG 220 Cb -0.07 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1ncq s ARG 220 CO -0.03 -0.48 0.39 -0.11 -1.08 0.00 0.00 175.30 173.99 1ncq n LEU 221 N -0.26 -5.89 -4.73 -1.89 0.00 -1.26 -1.20 117.00 101.76 1ncq n LEU 221 Ca -0.10 0.36 -0.41 0.00 0.00 0.00 0.00 56.01 55.86 1ncq n LEU 221 Cb 0.63 -2.57 0.01 0.00 0.00 0.00 0.00 43.42 41.49 1ncq n LEU 221 CO 0.20 -1.55 0.99 0.80 0.00 0.00 0.00 177.39 177.83 1ncq n MET 222 N -0.36 2.20 -3.76 1.96 0.00 -1.26 -0.56 117.12 115.34 1ncq n MET 222 Ca 0.08 0.78 -0.09 0.00 -0.00 0.00 0.00 57.70 58.47 1ncq n MET 222 Cb 0.30 -2.51 -0.03 0.00 0.00 0.00 0.00 33.22 30.98 1ncq n MET 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1ncq s LYS 223 N -2.22 1.54 0.48 2.12 0.00 0.48 -4.84 119.74 117.30 1ncq s LYS 223 Ca 0.59 -0.89 -0.21 0.00 0.00 0.00 0.00 55.97 55.46 1ncq s LYS 223 Cb -0.49 0.56 -0.08 0.00 0.00 0.00 0.00 37.83 37.82 1ncq s LYS 223 CO 0.60 -0.68 1.06 -0.51 0.00 0.00 0.00 175.35 175.82 1ncq s ASP 224 N -2.89 6.30 0.25 0.03 1.11 -1.26 -4.41 116.67 115.80 1ncq s ASP 224 Ca 0.10 2.00 -0.02 0.00 0.18 0.00 0.00 52.55 54.81 1ncq s ASP 224 Cb -0.03 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1ncq s ASP 224 CO 0.01 -0.81 0.47 0.28 1.18 0.00 0.00 175.17 176.29 1ncq s THR 225 N -1.88 5.13 -2.06 -1.27 -1.32 -1.26 -4.88 115.64 108.10 1ncq s THR 225 Ca 0.66 -0.23 0.15 0.00 -1.21 0.00 0.00 61.69 61.07 1ncq s THR 225 Cb -0.19 -3.75 0.41 0.00 -1.51 0.00 0.00 72.50 67.46 1ncq s THR 225 CO 0.23 -0.27 1.36 0.00 -2.21 0.00 0.00 174.62 173.73 1ncq n GLN 226 N -0.88 2.02 -0.54 7.08 6.02 -1.26 -4.19 117.38 125.63 1ncq n GLN 226 Ca -0.04 -1.58 0.07 0.00 -0.01 0.00 0.00 57.00 55.45 1ncq n GLN 226 Cb 0.54 -1.36 0.30 0.00 1.02 0.00 0.00 30.24 30.74 1ncq n GLN 226 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ncq n THR 227 N 0.78 1.59 -3.59 5.09 -2.24 -1.26 -4.91 114.28 109.76 1ncq n THR 227 Ca 0.15 -0.99 -0.14 0.00 -2.27 0.00 0.00 64.05 60.80 1ncq n THR 227 Cb 0.38 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1ncq n THR 227 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1ncq s ILE 228 N -1.87 0.00 0.16 2.28 -1.16 -1.26 -5.18 121.20 114.17 1ncq s ILE 228 Ca 0.43 0.00 -0.24 0.00 -0.51 0.00 0.00 60.65 60.33 1ncq s ILE 228 Cb 0.28 -1.00 0.08 0.00 0.61 0.00 0.00 42.46 42.43 1ncq s ILE 228 CO 0.19 0.00 1.04 -0.94 -2.81 0.00 0.00 174.94 172.43 1ncq s SER 229 N -0.40 -0.05 0.11 4.50 1.04 -1.26 -4.96 113.70 112.68 1ncq s SER 229 Ca -0.04 -0.56 -0.25 0.00 0.48 0.00 0.00 55.95 55.59 1ncq s SER 229 Cb -0.03 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.63 1ncq s SER 229 CO 0.03 -0.91 0.63 0.00 0.98 0.00 0.00 173.24 173.97 1ncq s GLN 230 N -2.48 1.22 -0.19 4.02 -2.07 -1.26 -5.06 119.66 113.84 1ncq s GLN 230 Ca 0.19 -0.33 0.14 0.00 -1.82 0.00 0.00 55.36 53.54 1ncq s GLN 230 Cb -0.02 0.56 -0.22 0.00 -1.09 0.00 0.00 33.01 32.25 1ncq s GLN 230 CO 0.04 -0.51 0.03 0.25 -1.32 0.00 0.00 175.29 173.78 1ncq n THR 231 N -0.14 1.26 -4.03 3.63 -2.24 -1.26 -5.00 114.28 106.49 1ncq n THR 231 Ca -0.17 -0.74 -0.08 0.00 -2.27 0.00 0.00 64.05 60.79 1ncq n THR 231 Cb 0.63 -0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 68.15 1ncq n THR 231 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ncq s VAL 232 N -2.44 0.18 0.39 2.28 -7.23 -1.26 -5.13 120.40 107.19 1ncq s VAL 232 Ca -0.12 -1.32 -0.28 0.00 -1.81 0.00 0.00 61.98 58.46 1ncq s VAL 232 Cb 0.06 -0.83 -0.11 0.00 0.56 0.00 0.00 36.38 36.06 1ncq s VAL 232 CO 0.72 -0.72 1.46 0.00 -0.31 0.00 0.00 175.10 176.25 1ncq n ALA 233 N 0.93 2.20 -1.70 1.32 0.00 -1.26 -4.96 120.51 117.05 1ncq n ALA 233 Ca -0.19 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1ncq n ALA 233 Cb 0.58 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.64 1ncq n ALA 233 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ncq s LEU 234 N -2.04 3.44 0.26 0.00 1.43 -1.26 -5.07 118.68 115.45 1ncq s LEU 234 Ca 0.55 1.70 0.04 0.00 -1.03 0.00 0.00 54.13 55.39 1ncq s LEU 234 Cb -0.48 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.17 1ncq s LEU 234 CO 0.63 -1.07 0.01 0.42 0.23 0.00 0.00 176.35 176.56 1ncq s THR 235 N -2.64 1.16 -2.00 5.49 -4.23 -1.26 -5.28 115.64 106.88 1ncq s THR 235 Ca 0.61 -2.04 0.31 0.00 -1.18 0.00 0.00 61.69 59.39 1ncq s THR 235 Cb -0.14 -2.49 0.87 0.00 1.34 0.00 0.00 72.50 72.08 1ncq s THR 235 CO 0.40 -0.22 2.16 1.21 -0.54 0.00 0.00 174.62 177.63