#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkq n TYR 3 N 0.00 0.05 -0.27 0.66 4.02 -1.26 -1.86 117.16 118.50 1nkq n TYR 3 Ca 0.00 -0.05 0.27 0.00 -0.01 0.00 0.00 57.90 58.11 1nkq n TYR 3 Cb 0.00 -0.00 0.63 0.00 -0.02 0.00 0.00 39.34 39.94 1nkq n TYR 3 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1nkq h ASN 4 N 2.33 0.21 -0.32 7.72 2.35 -1.81 -1.24 115.58 124.81 1nkq h ASN 4 Ca 0.00 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1nkq h ASN 4 Cb 0.52 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1nkq h ASN 4 CO 0.00 0.05 0.23 0.10 -1.65 0.00 0.00 177.43 176.16 1nkq h TYR 5 N 0.19 0.08 -0.56 1.19 -0.00 -1.88 -2.04 116.97 113.95 1nkq h TYR 5 Ca 0.53 0.00 0.15 0.00 0.00 0.00 0.00 58.73 59.41 1nkq h TYR 5 Cb 1.71 -0.03 -0.02 0.00 0.00 0.00 0.00 36.73 38.38 1nkq h TYR 5 CO -0.00 0.04 0.40 -0.07 -0.00 0.00 0.00 178.16 178.53 1nkq h LEU 6 N 0.08 0.05 -0.20 0.10 -0.00 -1.51 -0.53 115.31 113.31 1nkq h LEU 6 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1nkq h LEU 6 Cb 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1nkq h LEU 6 CO -0.01 0.03 0.00 0.29 -0.00 0.00 0.00 178.44 178.74 1nkq n LYS 7 N -4.39 0.26 0.00 1.13 5.02 -0.77 -3.27 118.16 116.14 1nkq n LYS 7 Ca 0.10 0.28 0.12 0.00 -2.02 0.00 0.00 58.31 56.79 1nkq n LYS 7 Cb 0.60 -1.84 0.14 0.00 -0.02 0.00 0.00 35.03 33.91 1nkq n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nkq n ALA 8 N -1.80 3.52 -2.35 7.82 0.00 -0.21 -4.91 120.51 122.59 1nkq n ALA 8 Ca 0.05 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 1nkq n ALA 8 Cb 0.38 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 1nkq n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nkq s ALA 9 N -2.58 3.05 0.07 0.00 0.00 -1.20 -4.58 121.76 116.51 1nkq s ALA 9 Ca 0.19 -0.15 0.11 0.00 0.00 0.00 0.00 51.96 52.11 1nkq s ALA 9 Cb 0.18 -3.94 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1nkq s ALA 9 CO 0.60 -2.39 1.42 0.00 0.00 0.00 0.00 175.76 175.38 1nkq h ARG 10 N 10.70 0.00 -3.17 0.00 2.47 -1.87 -3.47 114.38 119.04 1nkq h ARG 10 Ca -0.28 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.42 1nkq h ARG 10 Cb 1.11 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.31 1nkq h ARG 10 CO 1.09 0.75 0.09 -1.59 0.56 0.00 0.00 179.97 180.86 1nkq s LYS 11 N -2.99 1.24 -0.14 0.04 -2.85 -1.26 -4.96 119.74 108.81 1nkq s LYS 11 Ca 0.01 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1nkq s LYS 11 Cb 0.10 0.54 0.02 0.00 -2.06 0.00 0.00 37.83 36.43 1nkq s LYS 11 CO 0.78 -0.53 -0.14 0.42 0.10 0.00 0.00 175.35 175.98 1nkq s ILE 12 N -3.79 1.57 -0.02 3.79 1.01 -1.25 -1.63 121.20 120.89 1nkq s ILE 12 Ca 0.03 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1nkq s ILE 12 Cb -0.00 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1nkq s ILE 12 CO -0.11 0.46 -0.18 -0.51 0.00 0.00 0.00 174.94 174.60 1nkq s ILE 13 N 1.43 1.42 0.14 2.92 2.07 -0.29 -1.98 121.20 126.92 1nkq s ILE 13 Ca 0.04 -0.77 0.07 0.00 -1.41 0.00 0.00 60.65 58.58 1nkq s ILE 13 Cb -0.13 -1.19 -0.04 0.00 0.13 0.00 0.00 42.46 41.24 1nkq s ILE 13 CO -0.10 0.40 -0.16 0.00 -1.91 0.00 0.00 174.94 173.18 1nkq s ILE 15 N -2.10 4.09 0.33 0.00 2.07 -0.79 -2.00 121.20 122.81 1nkq s ILE 15 Ca 0.11 -0.86 0.08 0.00 -1.41 0.00 0.00 60.65 58.57 1nkq s ILE 15 Cb -0.05 -2.91 -0.04 0.00 0.13 0.00 0.00 42.46 39.59 1nkq s ILE 15 CO 0.04 0.20 0.20 -0.83 -1.91 0.00 0.00 174.94 172.64 1nkq s GLY 16 N -2.09 1.86 -0.37 1.50 0.00 -0.34 -4.14 107.32 103.73 1nkq s GLY 16 Ca 0.24 -1.74 -0.16 0.00 0.00 0.00 0.00 44.72 43.06 1nkq s GLY 16 CO 0.16 -1.68 0.40 0.54 0.00 0.00 0.00 173.10 172.53 1nkq n ARG 17 N -1.23 -1.12 -0.07 2.90 1.74 -1.26 -4.47 116.66 113.15 1nkq n ARG 17 Ca -0.03 0.73 0.02 0.00 -0.77 0.00 0.00 57.85 57.80 1nkq n ARG 17 Cb 0.60 -1.31 0.03 0.00 -1.02 0.00 0.00 32.46 30.77 1nkq n ARG 17 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nkq n ASN 18 N -0.41 1.41 -4.16 0.55 4.05 -1.26 -4.93 115.26 110.51 1nkq n ASN 18 Ca -0.11 -2.00 -0.27 0.00 0.45 0.00 0.00 54.58 52.65 1nkq n ASN 18 Cb 0.44 -0.11 -0.16 0.00 1.23 0.00 0.00 39.78 41.18 1nkq n ASN 18 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1nkq s TYR 19 N -1.06 1.82 0.22 1.20 1.51 -1.26 0.41 117.35 120.18 1nkq s TYR 19 Ca 0.07 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1nkq s TYR 19 Cb 0.06 -1.21 -0.08 0.00 -0.11 0.00 0.00 41.96 40.62 1nkq s TYR 19 CO 0.01 -0.15 1.09 0.00 -1.11 0.00 0.00 175.55 175.39 1nkq s ALA 20 N -0.08 3.38 -0.07 3.71 0.00 -0.09 -4.88 121.76 123.74 1nkq s ALA 20 Ca -0.02 0.84 0.21 0.00 0.00 0.00 0.00 51.96 52.99 1nkq s ALA 20 Cb -0.11 -3.34 -0.32 0.00 0.00 0.00 0.00 23.12 19.35 1nkq s ALA 20 CO 0.02 -0.18 0.39 0.00 0.00 0.00 0.00 175.76 175.99 1nkq n ALA 21 N 1.93 2.51 -2.79 0.00 0.00 -1.26 -4.78 120.51 116.12 1nkq n ALA 21 Ca 0.01 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.61 1nkq n ALA 21 Cb 0.46 -0.62 -0.13 0.00 0.00 0.00 0.00 19.45 19.16 1nkq n ALA 21 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nkq s HIS 22 N -3.28 0.72 0.50 0.00 3.76 -1.26 -5.04 115.29 110.70 1nkq s HIS 22 Ca -0.08 -0.36 0.28 0.00 -0.15 0.00 0.00 55.06 54.74 1nkq s HIS 22 Cb 0.12 -0.44 1.38 0.00 1.11 0.00 0.00 32.58 34.75 1nkq s HIS 22 CO 0.88 -0.04 1.87 0.97 -0.85 0.00 0.00 174.74 177.58 1nkq h ILE 23 N 4.63 0.57 0.00 0.60 6.09 -2.03 -1.01 117.51 126.36 1nkq h ILE 23 Ca -0.34 -0.04 -0.04 0.00 -1.37 0.00 0.00 64.86 63.07 1nkq h ILE 23 Cb 1.20 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.93 1nkq h ILE 23 CO 0.44 0.02 -0.20 0.07 -3.07 0.00 0.00 178.15 175.41 1nkq h LYS 24 N 0.11 0.00 0.00 2.19 2.10 -2.01 -2.36 116.57 116.60 1nkq h LYS 24 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1nkq h LYS 24 Cb 1.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1nkq h LYS 24 CO -0.06 0.20 0.00 0.39 -2.00 0.00 0.00 179.45 177.98 1nkq n GLU 25 N -3.81 0.02 0.20 0.07 1.02 -0.38 -2.90 120.64 114.85 1nkq n GLU 25 Ca -0.02 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.44 1nkq n GLU 25 Cb 0.30 -1.53 0.15 0.00 -0.02 0.00 0.00 31.44 30.35 1nkq n GLU 25 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1nkq h LEU 26 N 0.00 0.00 -3.90 -4.62 -0.00 -1.56 -3.32 115.31 101.92 1nkq h LEU 26 Ca 0.00 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 1nkq h LEU 26 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.94 1nkq h LEU 26 CO 0.00 0.00 -0.31 0.59 -0.00 0.00 0.00 178.44 178.72 1nkq n ASN 27 N -2.99 5.07 0.00 -0.43 3.02 -1.14 -5.16 115.26 113.62 1nkq n ASN 27 Ca 0.03 -2.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1nkq n ASN 27 Cb 0.53 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1nkq n ASN 27 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1nkq n ASN 28 N 2.38 0.01 0.00 6.41 4.13 -1.25 -5.15 115.26 121.78 1nkq n ASN 28 Ca 0.36 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1nkq n ASN 28 Cb 0.83 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.07 1nkq n ASN 28 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1nkq n GLN 33 N 0.00 0.00 -2.81 3.52 0.00 -1.26 -5.05 117.38 111.78 1nkq n GLN 33 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.59 1nkq n GLN 33 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 1nkq n GLN 33 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1nkq s PRO 34 N 0.00 4.66 0.18 3.69 0.04 -1.26 -5.05 135.00 137.25 1nkq s PRO 34 Ca 0.00 1.34 0.10 0.00 0.04 0.00 0.00 61.00 62.48 1nkq s PRO 34 Cb 0.00 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1nkq s PRO 34 CO 0.00 0.29 -0.14 -0.59 0.04 0.00 0.00 177.00 176.60 1nkq s PHE 35 N -0.22 2.54 0.16 0.56 -0.12 -1.26 -4.99 117.98 114.65 1nkq s PHE 35 Ca 0.43 -0.26 0.07 0.00 -0.05 0.00 0.00 56.93 57.12 1nkq s PHE 35 Cb -0.23 -1.25 -0.04 0.00 -0.63 0.00 0.00 43.02 40.87 1nkq s PHE 35 CO 0.28 0.50 -0.15 -0.06 -0.05 0.00 0.00 175.22 175.74 1nkq s PHE 36 N -1.64 1.61 0.01 3.49 0.40 -1.26 -1.20 117.98 119.39 1nkq s PHE 36 Ca 0.23 -0.55 -0.20 0.00 -0.60 0.00 0.00 56.93 55.80 1nkq s PHE 36 Cb -0.09 -0.79 0.04 0.00 0.51 0.00 0.00 43.02 42.69 1nkq s PHE 36 CO 0.13 0.27 0.45 -0.59 0.70 0.00 0.00 175.22 176.18 1nkq s PHE 37 N -2.51 -0.34 0.41 0.36 -0.12 -0.85 -5.00 117.98 109.94 1nkq s PHE 37 Ca 0.16 0.44 0.04 0.00 -0.05 0.00 0.00 56.93 57.53 1nkq s PHE 37 Cb -0.03 0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 1nkq s PHE 37 CO 0.05 -0.54 0.58 -0.51 -0.05 0.00 0.00 175.22 174.75 1nkq s LEU 38 N -1.66 3.75 -0.01 -1.99 1.43 -1.26 -0.95 118.68 117.98 1nkq s LEU 38 Ca -0.09 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1nkq s LEU 38 Cb -0.02 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.34 1nkq s LEU 38 CO 0.02 -0.64 0.01 -0.54 0.23 0.00 0.00 176.35 175.43 1nkq s LYS 39 N -4.39 0.04 0.53 1.70 1.02 -0.84 -4.85 119.74 112.96 1nkq s LYS 39 Ca 0.49 0.09 -0.19 0.00 0.02 0.00 0.00 55.97 56.38 1nkq s LYS 39 Cb -0.10 -0.20 -0.06 0.00 -0.52 0.00 0.00 37.83 36.95 1nkq s LYS 39 CO 0.34 -0.09 1.06 -1.25 -0.92 0.00 0.00 175.35 174.49 1nkq s PRO 40 N 0.63 3.55 0.00 -1.68 0.04 -1.26 -3.79 135.00 132.49 1nkq s PRO 40 Ca -0.05 1.36 0.19 0.00 0.04 0.00 0.00 61.00 62.53 1nkq s PRO 40 Cb -0.08 -2.06 0.83 0.00 0.04 0.00 0.00 34.50 33.23 1nkq s PRO 40 CO -0.02 -0.64 1.59 0.25 0.04 0.00 0.00 177.00 178.23 1nkq n THR 41 N -1.37 0.66 1.31 1.26 -2.24 -1.26 -2.19 114.28 110.43 1nkq n THR 41 Ca 0.10 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 1nkq n THR 41 Cb 0.52 -0.85 0.69 0.00 -2.10 0.00 0.00 70.33 68.60 1nkq n THR 41 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nkq n SER 42 N -1.45 0.00 -0.82 3.42 3.41 -1.26 -2.64 113.62 114.28 1nkq n SER 42 Ca 0.06 -0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.64 1nkq n SER 42 Cb 0.20 -0.27 0.26 0.00 -0.26 0.00 0.00 64.21 64.15 1nkq n SER 42 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nkq n SER 43 N -1.27 2.54 -4.77 4.04 3.41 -0.93 -4.29 113.62 112.35 1nkq n SER 43 Ca 0.13 -1.83 -0.40 0.00 -0.26 0.00 0.00 58.87 56.51 1nkq n SER 43 Cb 0.21 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1nkq n SER 43 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nkq s ILE 44 N -1.89 3.01 -0.08 -1.33 1.01 -1.08 -2.14 121.20 118.69 1nkq s ILE 44 Ca 0.33 0.97 -0.12 0.00 0.00 0.00 0.00 60.65 61.83 1nkq s ILE 44 Cb 0.20 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 39.10 1nkq s ILE 44 CO 0.31 0.20 0.31 0.54 0.00 0.00 0.00 174.94 176.30 1nkq s VAL 45 N -1.22 0.02 0.17 2.92 0.11 -1.26 -4.54 120.40 116.60 1nkq s VAL 45 Ca 0.50 -0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 1nkq s VAL 45 Cb -0.36 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1nkq s VAL 45 CO 0.46 -0.09 -0.16 0.42 -3.33 0.00 0.00 175.10 172.40 1nkq s THR 46 N -0.34 1.69 0.31 5.04 -4.23 -0.43 -1.62 115.64 116.06 1nkq s THR 46 Ca -0.05 -1.97 -0.25 0.00 -1.18 0.00 0.00 61.69 58.24 1nkq s THR 46 Cb -0.03 -1.85 -0.16 0.00 1.34 0.00 0.00 72.50 71.80 1nkq s THR 46 CO 0.02 -0.43 0.36 -2.65 -0.54 0.00 0.00 174.62 171.37 1nkq n PRO 47 N 0.12 0.11 0.22 3.99 -0.02 -1.26 -2.06 135.00 136.09 1nkq n PRO 47 Ca -0.12 0.04 0.18 0.00 -2.02 0.00 0.00 63.50 61.58 1nkq n PRO 47 Cb 0.58 -1.08 0.84 0.00 -0.02 0.00 0.00 33.50 33.82 1nkq n PRO 47 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1nkq h LEU 48 N 0.74 0.00 -3.40 2.45 -0.00 -1.79 0.13 115.31 113.43 1nkq h LEU 48 Ca -0.33 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.35 1nkq h LEU 48 Cb 1.43 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.97 1nkq h LEU 48 CO 0.52 0.00 0.26 -1.54 -0.00 0.00 0.00 178.44 177.68 1nkq n SER 49 N -3.46 4.38 -0.12 -0.43 3.41 -1.26 -4.63 113.62 111.51 1nkq n SER 49 Ca 0.02 -3.05 -0.11 0.00 -0.26 0.00 0.00 58.87 55.47 1nkq n SER 49 Cb 0.40 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1nkq n SER 49 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nkq h SER 50 N 2.21 0.61 0.00 4.04 0.02 -1.05 -3.52 113.55 115.86 1nkq h SER 50 Ca 0.25 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1nkq h SER 50 Cb 2.14 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1nkq h SER 50 CO 0.66 0.80 0.00 -1.54 -1.14 0.00 0.00 176.83 175.60 1nkq n SER 51 N -4.48 0.00 0.00 3.07 3.41 -1.26 -5.01 113.62 109.34 1nkq n SER 51 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1nkq n SER 51 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1nkq n SER 51 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1nkq n PRO 58 N -0.57 0.00 -3.78 4.33 -0.02 -1.26 -5.12 135.00 128.57 1nkq n PRO 58 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 1nkq n PRO 58 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.31 1nkq n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nkq s ALA 59 N -3.12 0.53 0.00 3.55 0.00 -1.26 -4.74 121.76 116.72 1nkq s ALA 59 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1nkq s ALA 59 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1nkq s ALA 59 CO 0.00 -0.40 0.00 -1.71 0.00 0.00 0.00 175.76 173.65 1nkq n ASN 60 N 5.02 -3.85 -4.75 0.00 5.15 -1.26 -4.97 115.26 110.60 1nkq n ASN 60 Ca -0.09 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.49 1nkq n ASN 60 Cb 0.50 -2.08 -0.05 0.00 -0.53 0.00 0.00 39.78 37.62 1nkq n ASN 60 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1nkq s SER 61 N -2.08 7.26 0.00 1.20 0.15 -1.26 -4.72 113.70 114.24 1nkq s SER 61 Ca 0.00 1.50 0.12 0.00 0.70 0.00 0.00 55.95 58.26 1nkq s SER 61 Cb 0.00 -2.48 0.26 0.00 -1.71 0.00 0.00 66.02 62.09 1nkq s SER 61 CO 0.00 0.06 1.15 0.35 1.20 0.00 0.00 173.24 176.00 1nkq n THR 62 N 2.51 0.70 -3.20 6.45 -2.24 -1.26 -4.84 114.28 112.40 1nkq n THR 62 Ca -0.03 -0.85 0.04 0.00 -2.27 0.00 0.00 64.05 60.94 1nkq n THR 62 Cb 0.50 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1nkq n THR 62 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1nkq s PHE 63 N -1.00 -0.30 -0.19 4.78 5.36 -1.26 -4.72 117.98 120.66 1nkq s PHE 63 Ca 0.21 0.41 0.14 0.00 -0.96 0.00 0.00 56.93 56.74 1nkq s PHE 63 Cb 0.12 0.14 0.38 0.00 -0.34 0.00 0.00 43.02 43.32 1nkq s PHE 63 CO 0.16 -0.15 1.21 -1.71 -1.46 0.00 0.00 175.22 173.27 1nkq n ASN 64 N 5.06 1.99 0.00 6.13 4.05 -1.26 -5.09 115.26 126.14 1nkq n ASN 64 Ca -0.08 -3.61 0.00 0.00 0.45 0.00 0.00 54.58 51.34 1nkq n ASN 64 Cb 0.54 -0.50 0.00 0.00 1.23 0.00 0.00 39.78 41.05 1nkq n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nkq n GLY 65 N -1.22 -1.11 3.78 8.20 0.00 -1.26 -4.96 105.19 108.62 1nkq n GLY 65 Ca 0.19 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1nkq n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkq s LEU 66 N -2.64 3.60 0.84 0.99 1.43 -1.26 -4.92 118.68 116.71 1nkq s LEU 66 Ca 0.00 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 1nkq s LEU 66 Cb 0.00 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.76 1nkq s LEU 66 CO 0.00 -1.27 1.12 0.20 0.23 0.00 0.00 176.35 176.63 1nkq s ASN 67 N -2.26 4.14 0.47 2.29 0.01 0.72 -4.85 114.94 115.45 1nkq s ASN 67 Ca 0.68 1.11 0.18 0.00 -0.71 0.00 0.00 52.86 54.12 1nkq s ASN 67 Cb -0.20 -1.77 1.17 0.00 0.41 0.00 0.00 41.25 40.87 1nkq s ASN 67 CO 0.32 -2.17 2.00 -0.08 -1.51 0.00 0.00 177.10 175.66 1nkq h GLU 68 N -1.23 0.23 -0.05 -0.60 4.81 -1.96 0.23 114.58 116.02 1nkq h GLU 68 Ca -0.48 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1nkq h GLU 68 Cb 1.30 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1nkq h GLU 68 CO 0.61 0.15 0.07 0.22 -0.73 0.00 0.00 179.01 179.34 1nkq h ASP 69 N 0.24 0.00 0.00 1.04 -0.00 -1.96 -3.45 116.42 112.28 1nkq h ASP 69 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 1nkq h ASP 69 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.99 1nkq h ASP 69 CO -0.05 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.80 1nkq n GLY 70 N -1.27 0.84 3.90 -0.78 0.00 0.81 -2.61 105.19 106.07 1nkq n GLY 70 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1nkq n GLY 70 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nkq s THR 71 N -2.47 4.89 -0.44 2.61 -1.32 -1.26 -4.70 115.64 112.95 1nkq s THR 71 Ca 0.00 0.30 0.07 0.00 -1.21 0.00 0.00 61.69 60.85 1nkq s THR 71 Cb 0.00 -3.80 0.28 0.00 -1.51 0.00 0.00 72.50 67.47 1nkq s THR 71 CO 0.00 -0.64 0.83 -3.20 -2.21 0.00 0.00 174.62 169.40 1nkq n ASN 72 N -1.69 -1.40 -4.73 8.08 5.15 -1.26 -0.20 115.26 119.20 1nkq n ASN 72 Ca 0.01 -3.21 -0.42 0.00 -0.60 0.00 0.00 54.58 50.36 1nkq n ASN 72 Cb 0.55 0.85 -0.03 0.00 -0.53 0.00 0.00 39.78 40.62 1nkq n ASN 72 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nkq s PRO 73 N -0.38 4.13 0.00 1.20 0.04 -1.24 -1.31 135.00 137.44 1nkq s PRO 73 Ca 0.32 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1nkq s PRO 73 Cb 0.25 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1nkq s PRO 73 CO -0.14 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1nkq n GLY 74 N 3.56 -0.72 3.97 0.56 0.00 -0.88 -4.88 105.19 106.80 1nkq n GLY 74 Ca 0.14 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 1nkq n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nkq s PRO 75 N -2.00 1.43 -0.23 1.61 0.04 -1.26 -4.47 135.00 130.12 1nkq s PRO 75 Ca 0.00 -0.87 -0.18 0.00 0.04 0.00 0.00 61.00 59.99 1nkq s PRO 75 Cb 0.00 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1nkq s PRO 75 CO 0.00 -1.70 0.49 0.42 0.04 0.00 0.00 177.00 176.25 1nkq s ILE 76 N -3.35 5.11 -0.45 0.56 1.01 -0.16 -4.93 121.20 118.99 1nkq s ILE 76 Ca 0.68 0.86 -0.19 0.00 0.00 0.00 0.00 60.65 62.00 1nkq s ILE 76 Cb -0.05 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1nkq s ILE 76 CO 0.47 0.15 0.56 -0.36 0.00 0.00 0.00 174.94 175.76 1nkq s PHE 77 N 1.88 3.10 -0.42 3.97 2.99 -1.26 -0.64 117.98 127.60 1nkq s PHE 77 Ca 0.21 -0.29 -0.22 0.00 0.00 0.00 0.00 56.93 56.63 1nkq s PHE 77 Cb -0.15 -3.22 0.02 0.00 0.00 0.00 0.00 43.02 39.67 1nkq s PHE 77 CO 0.09 -0.84 0.74 0.42 -0.00 0.00 0.00 175.22 175.63 1nkq s ILE 78 N 2.51 4.73 0.62 0.64 1.01 0.98 -4.64 121.20 127.06 1nkq s ILE 78 Ca 0.17 0.48 -0.18 0.00 0.00 0.00 0.00 60.65 61.11 1nkq s ILE 78 Cb -0.16 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 1nkq s ILE 78 CO 0.15 -0.58 1.14 -2.65 0.00 0.00 0.00 174.94 173.00 1nkq n PRO 79 N 6.48 1.04 -2.08 2.79 -0.02 -1.26 -1.69 135.00 140.26 1nkq n PRO 79 Ca 0.01 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1nkq n PRO 79 Cb 0.48 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1nkq n PRO 79 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nkq s ARG 80 N -3.07 4.31 0.00 -0.52 0.52 -1.26 -1.97 118.95 116.95 1nkq s ARG 80 Ca 0.79 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 58.23 1nkq s ARG 80 Cb -0.40 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 31.94 1nkq s ARG 80 CO 0.44 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.80 1nkq n GLY 81 N 2.22 1.19 3.80 -3.53 0.00 -1.26 0.47 105.19 108.08 1nkq n GLY 81 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1nkq n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nkq s VAL 82 N -3.87 5.33 -0.41 1.61 1.01 -0.83 -4.66 120.40 118.58 1nkq s VAL 82 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 61.98 62.28 1nkq s VAL 82 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1nkq s VAL 82 CO 0.00 0.52 0.29 -0.54 0.00 0.00 0.00 175.10 175.37 1nkq s LYS 83 N -0.39 2.95 -0.09 2.72 -0.14 -1.26 -4.80 119.74 118.73 1nkq s LYS 83 Ca 0.16 -1.05 -0.17 0.00 -1.36 0.00 0.00 55.97 53.56 1nkq s LYS 83 Cb -0.13 -3.96 -0.05 0.00 -1.68 0.00 0.00 37.83 32.01 1nkq s LYS 83 CO 0.05 -0.76 0.43 0.08 -0.76 0.00 0.00 175.35 174.39 1nkq s VAL 84 N 1.66 5.15 0.01 3.17 1.01 -1.25 -0.73 120.40 129.42 1nkq s VAL 84 Ca 0.05 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.91 1nkq s VAL 84 Cb -0.19 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1nkq s VAL 84 CO 0.09 0.41 -0.00 -1.00 0.00 0.00 0.00 175.10 174.60 1nkq s HIS 85 N 0.07 3.05 -0.09 5.22 3.76 0.17 0.30 115.29 127.78 1nkq s HIS 85 Ca 0.24 0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 55.19 1nkq s HIS 85 Cb -0.15 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 1nkq s HIS 85 CO 0.10 0.46 -0.01 -3.38 -0.85 0.00 0.00 174.74 171.06 1nkq s HIS 86 N -1.10 3.13 -0.21 1.40 -3.43 -0.89 -2.11 115.29 112.09 1nkq s HIS 86 Ca 0.20 0.14 -0.05 0.00 -0.80 0.00 0.00 55.06 54.55 1nkq s HIS 86 Cb -0.11 -1.80 0.07 0.00 -1.43 0.00 0.00 32.58 29.31 1nkq s HIS 86 CO 0.11 0.41 0.11 -1.21 -2.00 0.00 0.00 174.74 172.15 1nkq s GLU 87 N -0.74 0.11 0.20 -0.38 2.02 -1.24 -3.45 118.70 115.22 1nkq s GLU 87 Ca 0.12 -0.20 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 1nkq s GLU 87 Cb -0.12 -1.59 -0.08 0.00 0.10 0.00 0.00 34.13 32.44 1nkq s GLU 87 CO 0.02 -0.78 0.98 -1.50 0.02 0.00 0.00 175.26 174.00 1nkq s ILE 88 N 2.14 4.12 0.07 -1.63 1.10 -1.26 -0.72 121.20 125.02 1nkq s ILE 88 Ca 0.04 1.98 -0.14 0.00 -0.51 0.00 0.00 60.65 62.03 1nkq s ILE 88 Cb -0.16 -4.26 0.02 0.00 0.15 0.00 0.00 42.46 38.21 1nkq s ILE 88 CO -0.18 0.41 0.32 -1.61 -2.11 0.00 0.00 174.94 171.77 1nkq s GLU 89 N -0.78 0.89 -0.06 3.50 2.02 0.07 -4.24 118.70 120.10 1nkq s GLU 89 Ca 0.44 -0.62 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 1nkq s GLU 89 Cb -0.26 0.38 -0.05 0.00 0.10 0.00 0.00 34.13 34.31 1nkq s GLU 89 CO 0.33 -0.30 0.56 -1.17 0.02 0.00 0.00 175.26 174.69 1nkq s LEU 90 N -2.37 4.35 -0.12 1.80 2.96 -1.26 -1.13 118.68 122.90 1nkq s LEU 90 Ca -0.01 1.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.90 1nkq s LEU 90 Cb 0.01 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1nkq s LEU 90 CO -0.07 0.04 -0.07 0.00 -1.32 0.00 0.00 176.35 174.94 1nkq s ALA 91 N 0.23 2.92 -0.07 5.97 0.00 0.21 -2.34 121.76 128.67 1nkq s ALA 91 Ca 0.30 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 1nkq s ALA 91 Cb -0.17 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 1nkq s ALA 91 CO 0.14 0.34 0.27 -0.51 0.00 0.00 0.00 175.76 176.00 1nkq s LEU 92 N -0.02 4.41 -0.47 0.00 1.43 0.07 -1.02 118.68 123.08 1nkq s LEU 92 Ca -0.00 0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1nkq s LEU 92 Cb -0.13 -2.32 0.13 0.00 0.03 0.00 0.00 46.19 43.89 1nkq s LEU 92 CO 0.03 0.34 0.25 -0.63 0.23 0.00 0.00 176.35 176.57 1nkq s ILE 93 N -0.88 3.08 0.31 -0.59 1.01 -1.04 -0.70 121.20 122.39 1nkq s ILE 93 Ca 0.19 -2.58 -0.29 0.00 0.00 0.00 0.00 60.65 57.97 1nkq s ILE 93 Cb -0.14 -3.11 -0.13 0.00 0.01 0.00 0.00 42.46 39.09 1nkq s ILE 93 CO 0.08 -0.74 1.31 0.52 0.00 0.00 0.00 174.94 176.11 1nkq n VAL 94 N 3.97 1.73 0.03 2.92 0.31 -0.54 -0.68 118.33 126.07 1nkq n VAL 94 Ca 0.03 -0.43 0.01 0.00 -0.01 0.00 0.00 64.34 63.93 1nkq n VAL 94 Cb 0.39 -1.53 0.01 0.00 -0.91 0.00 0.00 33.84 31.80 1nkq n VAL 94 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1nkq n SER 95 N 1.15 1.52 -3.72 4.52 3.41 0.24 0.19 113.62 120.92 1nkq n SER 95 Ca 0.07 -1.44 -0.10 0.00 -0.26 0.00 0.00 58.87 57.14 1nkq n SER 95 Cb 0.35 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1nkq n SER 95 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nkq s LYS 96 N -0.47 1.70 -0.22 4.33 -2.85 -1.21 -4.70 119.74 116.32 1nkq s LYS 96 Ca 0.02 -1.38 -0.27 0.00 -1.00 0.00 0.00 55.97 53.34 1nkq s LYS 96 Cb 0.01 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1nkq s LYS 96 CO 0.02 -0.72 0.95 -1.01 0.10 0.00 0.00 175.35 174.69 1nkq s HIS 97 N -3.63 3.35 -0.23 1.78 3.76 -1.26 -3.58 115.29 115.48 1nkq s HIS 97 Ca 0.24 1.35 0.01 0.00 -0.15 0.00 0.00 55.06 56.50 1nkq s HIS 97 Cb -0.01 -3.17 0.06 0.00 1.11 0.00 0.00 32.58 30.57 1nkq s HIS 97 CO 0.12 -0.41 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.02 1nkq s LEU 98 N 2.90 2.64 -0.07 0.89 1.43 -0.43 -5.00 118.68 121.04 1nkq s LEU 98 Ca 0.41 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1nkq s LEU 98 Cb -0.15 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.87 1nkq s LEU 98 CO 0.08 -0.22 0.03 -0.55 0.23 0.00 0.00 176.35 175.92 1nkq s SER 99 N 1.36 1.54 -1.51 2.29 0.15 -1.26 -1.02 113.70 115.24 1nkq s SER 99 Ca -0.06 -0.09 -0.06 0.00 0.70 0.00 0.00 55.95 56.44 1nkq s SER 99 Cb -0.19 -0.32 0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1nkq s SER 99 CO -0.06 -0.23 0.63 0.59 1.20 0.00 0.00 173.24 175.37 1nkq n ASN 100 N 5.21 -5.79 -4.72 5.45 3.02 0.11 -4.91 115.26 113.63 1nkq n ASN 100 Ca -0.06 -0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 53.75 1nkq n ASN 100 Cb 0.50 -4.68 -0.03 0.00 -0.61 0.00 0.00 39.78 34.96 1nkq n ASN 100 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nkq s VAL 101 N -3.15 2.75 0.01 2.41 1.01 -1.26 -4.91 120.40 117.25 1nkq s VAL 101 Ca 0.34 0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 1nkq s VAL 101 Cb -0.16 -3.33 -0.29 0.00 0.00 0.00 0.00 36.38 32.60 1nkq s VAL 101 CO 0.42 0.04 0.88 0.71 0.00 0.00 0.00 175.10 177.15 1nkq h THR 102 N 4.10 1.18 -3.20 3.92 1.35 -1.91 -3.44 112.91 114.91 1nkq h THR 102 Ca -0.42 -2.77 -0.16 0.00 -0.55 0.00 0.00 66.41 62.51 1nkq h THR 102 Cb 1.20 2.82 -0.04 0.00 -1.73 0.00 0.00 68.15 70.41 1nkq h THR 102 CO 0.91 0.83 -0.05 1.17 -0.25 0.00 0.00 175.52 178.13 1nkq n LYS 103 N -3.52 0.50 -3.99 4.72 4.81 -1.26 -5.02 118.16 114.39 1nkq n LYS 103 Ca -0.17 -1.75 -0.09 0.00 -0.87 0.00 0.00 58.31 55.44 1nkq n LYS 103 Cb 1.05 1.74 -0.10 0.00 0.02 0.00 0.00 35.03 37.75 1nkq n LYS 103 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1nkq s LYS 105 N -2.44 0.48 0.19 1.64 1.02 -1.26 -5.07 119.74 114.29 1nkq s LYS 105 Ca 0.17 -0.81 -0.18 0.00 0.02 0.00 0.00 55.97 55.17 1nkq s LYS 105 Cb -0.01 0.17 0.16 0.00 -0.52 0.00 0.00 37.83 37.63 1nkq s LYS 105 CO 0.13 -0.10 1.60 -1.35 -0.92 0.00 0.00 175.35 174.71 1nkq h PRO 106 N 3.94 -0.12 -1.16 -1.68 0.11 -1.97 0.17 132.00 131.30 1nkq h PRO 106 Ca -0.33 0.01 0.33 0.00 0.11 0.00 0.00 66.00 66.12 1nkq h PRO 106 Cb 1.18 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1nkq h PRO 106 CO 0.51 -0.08 0.82 1.49 -0.21 0.00 0.00 178.00 180.52 1nkq h GLU 107 N -0.12 0.09 0.00 1.05 4.57 -1.82 0.18 114.58 118.53 1nkq h GLU 107 Ca 0.25 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1nkq h GLU 107 Cb 0.52 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1nkq h GLU 107 CO -0.65 0.06 -0.13 0.93 -1.18 0.00 0.00 179.01 178.04 1nkq h GLU 108 N 0.10 0.00 -0.21 1.92 5.08 -1.03 -3.24 114.58 117.19 1nkq h GLU 108 Ca 0.58 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.96 1nkq h GLU 108 Cb 2.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.34 1nkq h GLU 108 CO -0.09 0.13 0.09 0.28 -1.00 0.00 0.00 179.01 178.42 1nkq h VAL 109 N 0.00 0.97 -0.71 3.13 2.07 -0.67 -1.70 116.25 119.34 1nkq h VAL 109 Ca -0.00 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1nkq h VAL 109 Cb 0.61 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 1nkq h VAL 109 CO 0.02 0.04 0.37 0.22 0.02 0.00 0.00 177.57 178.23 1nkq h TYR 110 N 0.20 0.66 0.00 1.57 3.20 -1.72 -0.98 116.97 119.91 1nkq h TYR 110 Ca 0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1nkq h TYR 110 Cb 0.04 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1nkq h TYR 110 CO -0.10 0.26 0.00 -0.44 -1.64 0.00 0.00 178.16 176.23 1nkq h ASP 111 N 0.63 0.00 0.38 -2.11 3.32 -1.56 -3.04 116.42 114.04 1nkq h ASP 111 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1nkq h ASP 111 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1nkq h ASP 111 CO -0.25 0.00 -0.76 -1.20 -1.72 0.00 0.00 179.24 175.31 1nkq n SER 112 N -3.04 0.65 -4.55 6.45 7.64 -0.40 -4.87 113.62 115.50 1nkq n SER 112 Ca 0.00 -0.40 -0.24 0.00 1.01 0.00 0.00 58.87 59.24 1nkq n SER 112 Cb 0.26 0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 63.94 1nkq n SER 112 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1nkq s ILE 113 N -3.06 2.96 -0.25 0.44 -4.36 -1.02 0.83 121.20 116.75 1nkq s ILE 113 Ca 0.08 -2.09 0.22 0.00 -0.26 0.00 0.00 60.65 58.60 1nkq s ILE 113 Cb 0.16 -2.55 -0.31 0.00 1.25 0.00 0.00 42.46 41.01 1nkq s ILE 113 CO 0.77 -0.34 0.59 -1.54 0.24 0.00 0.00 174.94 174.66 1nkq n SER 114 N -0.60 0.23 0.00 4.36 3.41 0.14 -4.65 113.62 116.51 1nkq n SER 114 Ca -0.07 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1nkq n SER 114 Cb 0.59 1.74 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 1nkq n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nkq n GLY 115 N 1.31 -0.76 3.14 5.00 0.00 -1.24 -2.10 105.19 110.54 1nkq n GLY 115 Ca -0.02 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 1nkq n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nkq s VAL 116 N -3.00 0.18 0.14 1.61 0.11 -0.65 -2.51 120.40 116.28 1nkq s VAL 116 Ca 0.00 -1.49 -0.12 0.00 -2.93 0.00 0.00 61.98 57.44 1nkq s VAL 116 Cb 0.00 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1nkq s VAL 116 CO 0.00 -0.83 0.32 0.00 -3.33 0.00 0.00 175.10 171.27 1nkq s ALA 117 N -3.80 -0.45 -0.22 1.54 0.00 -0.19 -0.44 121.76 118.20 1nkq s ALA 117 Ca 0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.43 1nkq s ALA 117 Cb 0.06 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1nkq s ALA 117 CO -0.10 -0.63 0.13 -1.17 0.00 0.00 0.00 175.76 173.99 1nkq s LEU 118 N -2.88 4.01 0.00 0.00 2.96 -1.26 0.67 118.68 122.18 1nkq s LEU 118 Ca 0.08 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1nkq s LEU 118 Cb 0.03 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1nkq s LEU 118 CO -0.07 0.09 -0.01 0.00 -1.32 0.00 0.00 176.35 175.05 1nkq s ALA 119 N 0.87 0.02 -0.23 5.97 0.00 -0.29 -0.44 121.76 127.67 1nkq s ALA 119 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 1nkq s ALA 119 Cb -0.13 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1nkq s ALA 119 CO 0.03 -0.03 0.24 -0.51 0.00 0.00 0.00 175.76 175.49 1nkq s LEU 120 N -0.26 4.11 -1.00 0.00 1.43 0.62 -0.75 118.68 122.83 1nkq s LEU 120 Ca -0.03 0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 1nkq s LEU 120 Cb -0.02 -2.23 0.20 0.00 0.03 0.00 0.00 46.19 44.17 1nkq s LEU 120 CO -0.00 0.00 1.08 -0.62 0.23 0.00 0.00 176.35 177.04 1nkq s ASP 121 N 1.14 6.93 0.29 2.29 2.15 0.10 -3.07 116.67 126.50 1nkq s ASP 121 Ca 0.11 -2.82 -0.29 0.00 0.43 0.00 0.00 52.55 49.98 1nkq s ASP 121 Cb -0.14 -2.30 -0.10 0.00 -0.30 0.00 0.00 42.92 40.08 1nkq s ASP 121 CO 0.06 -0.66 1.21 -0.76 -0.17 0.00 0.00 175.17 174.85 1nkq s LEU 122 N 0.73 4.48 -0.03 -1.34 1.43 -0.20 -3.69 118.68 120.07 1nkq s LEU 122 Ca 0.30 2.45 0.02 0.00 -1.03 0.00 0.00 54.13 55.87 1nkq s LEU 122 Cb -0.07 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1nkq s LEU 122 CO -0.07 -0.35 -0.07 -0.89 0.23 0.00 0.00 176.35 175.20 1nkq s THR 123 N -0.97 0.61 -0.97 5.49 2.01 -0.89 -4.68 115.64 116.24 1nkq s THR 123 Ca 0.48 -0.25 -0.21 0.00 0.31 0.00 0.00 61.69 62.02 1nkq s THR 123 Cb -0.36 -0.57 0.08 0.00 0.01 0.00 0.00 72.50 71.67 1nkq s THR 123 CO 0.45 0.21 1.30 0.00 -0.69 0.00 0.00 174.62 175.89 1nkq s ALA 124 N 0.35 3.00 0.12 7.40 0.00 0.96 -0.66 121.76 132.93 1nkq s ALA 124 Ca -0.05 -2.45 -0.30 0.00 0.00 0.00 0.00 51.96 49.17 1nkq s ALA 124 Cb -0.09 -4.31 -0.08 0.00 0.00 0.00 0.00 23.12 18.65 1nkq s ALA 124 CO 0.00 -3.33 1.59 -0.09 0.00 0.00 0.00 175.76 173.94 1nkq h ARG 125 N 9.39 -0.55 -0.16 0.00 2.43 -1.23 0.16 114.38 124.42 1nkq h ARG 125 Ca 0.16 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1nkq h ARG 125 Cb 1.02 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1nkq h ARG 125 CO 1.29 -0.36 -0.04 -2.95 -1.51 0.00 0.00 179.97 176.39 1nkq h ASN 126 N -0.57 0.22 -0.35 -3.80 -1.07 -1.91 0.93 115.58 109.04 1nkq h ASN 126 Ca 0.05 -0.03 -0.13 0.00 0.07 0.00 0.00 56.30 56.26 1nkq h ASN 126 Cb 0.64 -0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 36.82 1nkq h ASN 126 CO -0.30 0.30 -0.27 0.58 0.07 0.00 0.00 177.43 177.81 1nkq h VAL 127 N 0.24 1.27 -0.20 6.14 2.07 -1.78 -2.88 116.25 121.12 1nkq h VAL 127 Ca 0.05 -1.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.01 1nkq h VAL 127 Cb 0.23 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1nkq h VAL 127 CO 0.01 0.48 -0.50 -0.61 0.02 0.00 0.00 177.57 176.97 1nkq h GLN 128 N 0.73 0.54 -0.45 1.57 4.15 0.09 -2.26 115.11 119.47 1nkq h GLN 128 Ca 0.09 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1nkq h GLN 128 Cb 0.82 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1nkq h GLN 128 CO 0.07 0.91 0.30 -0.44 -1.93 0.00 0.00 178.83 177.74 1nkq h ASP 129 N 0.42 0.52 -0.21 -0.69 3.32 -0.78 0.40 116.42 119.40 1nkq h ASP 129 Ca 0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nkq h ASP 129 Cb 1.02 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1nkq h ASP 129 CO 0.09 0.37 0.13 -0.08 -1.72 0.00 0.00 179.24 178.04 1nkq h GLU 130 N 0.61 0.27 -0.40 3.56 4.81 -1.40 -2.00 114.58 120.03 1nkq h GLU 130 Ca 0.17 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1nkq h GLU 130 Cb -0.07 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 1nkq h GLU 130 CO -0.04 0.19 0.03 0.00 -0.73 0.00 0.00 179.01 178.46 1nkq h ALA 131 N 1.06 0.39 -0.10 2.92 0.00 -0.94 -1.49 119.26 121.11 1nkq h ALA 131 Ca 0.08 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1nkq h ALA 131 Cb -0.02 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1nkq h ALA 131 CO -0.02 -0.37 -0.17 0.87 0.00 0.00 0.00 179.25 179.57 1nkq h LYS 132 N 0.14 -0.22 -0.22 0.00 1.57 -0.53 0.25 116.57 117.56 1nkq h LYS 132 Ca 0.20 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1nkq h LYS 132 Cb 0.27 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1nkq h LYS 132 CO -0.30 -0.14 0.11 0.87 -0.57 0.00 0.00 179.45 179.42 1nkq h LYS 133 N -0.22 0.24 0.00 3.15 1.57 -0.91 -0.99 116.57 119.40 1nkq h LYS 133 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1nkq h LYS 133 Cb 0.35 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1nkq h LYS 133 CO -0.23 0.16 0.00 1.63 -0.57 0.00 0.00 179.45 180.43 1nkq n LYS 134 N -4.98 0.92 -3.72 3.15 5.02 -0.60 -4.88 118.16 113.06 1nkq n LYS 134 Ca -0.03 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 1nkq n LYS 134 Cb 0.05 -1.31 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1nkq n LYS 134 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nkq n GLY 135 N 0.68 -0.39 3.77 0.72 0.00 0.25 -5.00 105.19 105.23 1nkq n GLY 135 Ca 0.14 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 1nkq n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkq s LEU 136 N -6.64 2.79 0.54 0.99 1.43 0.62 -5.02 118.68 113.40 1nkq s LEU 136 Ca 0.07 -1.29 -0.22 0.00 -1.03 0.00 0.00 54.13 51.66 1nkq s LEU 136 Cb -0.02 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 1nkq s LEU 136 CO 0.83 -0.73 1.33 -2.84 0.23 0.00 0.00 176.35 175.16 1nkq s PRO 137 N -3.96 3.17 0.16 1.29 0.02 -1.26 -4.58 135.00 129.83 1nkq s PRO 137 Ca 0.30 2.15 0.24 0.00 0.02 0.00 0.00 61.00 63.71 1nkq s PRO 137 Cb 0.03 -2.24 0.32 0.00 0.02 0.00 0.00 34.50 32.63 1nkq s PRO 137 CO 0.17 -1.14 1.32 -1.49 -0.33 0.00 0.00 177.00 175.53 1nkq h TRP 138 N 1.45 0.00 -0.76 6.54 4.06 -1.97 -3.41 115.95 121.85 1nkq h TRP 138 Ca -0.51 0.00 0.13 0.00 2.06 0.00 0.00 58.89 60.57 1nkq h TRP 138 Cb 1.30 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.32 1nkq h TRP 138 CO 0.46 0.00 -0.26 2.41 -3.56 0.00 0.00 178.44 177.50 1nkq n THR 139 N -2.27 -0.37 -0.04 1.49 -1.04 -1.26 -1.21 114.28 109.58 1nkq n THR 139 Ca 0.03 1.78 -0.11 0.00 -2.04 0.00 0.00 64.05 63.70 1nkq n THR 139 Cb 0.46 -2.39 -0.05 0.00 -1.82 0.00 0.00 70.33 66.53 1nkq n THR 139 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nkq h ILE 140 N 0.00 1.16 0.00 12.58 1.08 -1.95 0.78 117.51 131.16 1nkq h ILE 140 Ca 0.30 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1nkq h ILE 140 Cb 0.50 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 1nkq h ILE 140 CO -0.77 0.15 0.00 0.77 -0.69 0.00 0.00 178.15 177.62 1nkq h SER 141 N 0.10 0.00 0.00 1.72 4.64 -1.47 -2.63 113.55 115.91 1nkq h SER 141 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nkq h SER 141 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1nkq h SER 141 CO -0.00 0.00 -1.06 0.29 -0.87 0.00 0.00 176.83 175.19 1nkq n LYS 142 N -2.85 1.72 -0.04 4.77 4.76 -0.81 -0.03 118.16 125.68 1nkq n LYS 142 Ca -0.01 -0.06 0.09 0.00 -2.87 0.00 0.00 58.31 55.46 1nkq n LYS 142 Cb 0.13 -1.14 0.09 0.00 -1.84 0.00 0.00 35.03 32.28 1nkq n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nkq n GLY 143 N 1.62 0.60 3.52 0.72 0.00 0.27 -4.79 105.19 107.13 1nkq n GLY 143 Ca -0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1nkq n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nkq n PHE 144 N 0.98 -0.07 -1.64 1.61 3.01 -1.15 -4.60 117.46 115.60 1nkq n PHE 144 Ca 0.11 0.47 -0.40 0.00 1.01 0.00 0.00 57.45 58.64 1nkq n PHE 144 Cb 0.44 -2.04 0.03 0.00 -0.01 0.00 0.00 39.48 37.90 1nkq n PHE 144 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nkq n ASP 145 N 0.25 1.42 0.00 4.37 8.00 -1.26 -1.77 116.55 127.56 1nkq n ASP 145 Ca 0.12 0.96 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1nkq n ASP 145 Cb 0.46 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1nkq n ASP 145 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nkq n THR 146 N -0.92 0.00 -1.08 -3.53 -2.24 -1.10 -4.54 114.28 100.88 1nkq n THR 146 Ca 0.10 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 1nkq n THR 146 Cb 0.43 -0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 1nkq n THR 146 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nkq n PHE 147 N -2.38 1.70 -3.63 4.78 3.01 -0.73 -4.76 117.46 115.44 1nkq n PHE 147 Ca 0.00 -2.47 -0.14 0.00 1.01 0.00 0.00 57.45 55.85 1nkq n PHE 147 Cb 0.21 -2.09 -0.07 0.00 -0.01 0.00 0.00 39.48 37.52 1nkq n PHE 147 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1nkq s PRO 149 N 2.31 0.83 0.06 -1.08 0.02 -1.17 -1.03 135.00 134.94 1nkq s PRO 149 Ca 0.60 1.00 -0.12 0.00 0.02 0.00 0.00 61.00 62.50 1nkq s PRO 149 Cb 0.18 0.40 0.01 0.00 0.02 0.00 0.00 34.50 35.11 1nkq s PRO 149 CO -0.04 -0.10 0.26 -1.50 -0.33 0.00 0.00 177.00 175.29 1nkq s ILE 150 N 0.41 0.10 0.47 2.83 2.07 -0.64 -0.27 121.20 126.18 1nkq s ILE 150 Ca -0.00 -0.83 0.01 0.00 -1.41 0.00 0.00 60.65 58.42 1nkq s ILE 150 Cb -0.05 -1.06 0.09 0.00 0.13 0.00 0.00 42.46 41.57 1nkq s ILE 150 CO 0.00 -0.46 0.65 -1.54 -1.91 0.00 0.00 174.94 171.68 1nkq n SER 151 N 0.35 1.04 -4.82 4.50 3.41 0.42 -4.49 113.62 114.03 1nkq n SER 151 Ca -0.17 -1.84 -0.29 0.00 -0.26 0.00 0.00 58.87 56.31 1nkq n SER 151 Cb 0.61 -0.40 0.11 0.00 -0.26 0.00 0.00 64.21 64.26 1nkq n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nkq s ALA 152 N -2.91 2.12 0.26 7.33 0.00 -1.26 -4.77 121.76 122.52 1nkq s ALA 152 Ca 0.44 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 1nkq s ALA 152 Cb -0.03 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 1nkq s ALA 152 CO 0.29 -1.97 0.74 -1.50 0.00 0.00 0.00 175.76 173.33 1nkq s ILE 153 N -3.31 4.58 -0.56 0.00 2.07 -0.78 -4.59 121.20 118.62 1nkq s ILE 153 Ca 0.62 1.22 -0.06 0.00 -1.41 0.00 0.00 60.65 61.02 1nkq s ILE 153 Cb -0.14 -3.79 0.15 0.00 0.13 0.00 0.00 42.46 38.81 1nkq s ILE 153 CO 0.53 0.08 0.41 -0.69 -1.91 0.00 0.00 174.94 173.35 1nkq s VAL 154 N -1.67 4.01 0.38 4.00 1.01 0.41 -4.75 120.40 123.78 1nkq s VAL 154 Ca 0.47 -2.38 -0.26 0.00 0.00 0.00 0.00 61.98 59.81 1nkq s VAL 154 Cb -0.15 -3.62 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 1nkq s VAL 154 CO 0.20 -0.83 1.11 -1.20 0.00 0.00 0.00 175.10 174.38 1nkq n SER 155 N 4.19 1.79 0.07 3.32 7.64 -1.26 -1.64 113.62 127.72 1nkq n SER 155 Ca 0.02 1.11 0.11 0.00 1.01 0.00 0.00 58.87 61.13 1nkq n SER 155 Cb 0.40 -1.39 0.58 0.00 -1.01 0.00 0.00 64.21 62.80 1nkq n SER 155 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1nkq h ARG 156 N 1.93 0.19 -0.55 1.43 0.11 -1.76 -1.39 114.38 114.34 1nkq h ARG 156 Ca -0.44 -0.01 0.16 0.00 0.10 0.00 0.00 59.98 59.78 1nkq h ARG 156 Cb 1.32 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.34 1nkq h ARG 156 CO 0.59 0.13 0.47 0.93 0.10 0.00 0.00 179.97 182.18 1nkq h GLU 157 N 0.20 0.00 0.00 0.08 3.07 -1.89 0.40 114.58 116.43 1nkq h GLU 157 Ca 0.16 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1nkq h GLU 157 Cb 0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1nkq h GLU 157 CO -0.03 0.00 -0.09 0.87 -1.40 0.00 0.00 179.01 178.37 1nkq h LYS 158 N 0.00 0.00 -0.09 2.33 6.56 -1.60 -3.00 116.57 120.77 1nkq h LYS 158 Ca 0.26 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.71 1nkq h LYS 158 Cb 1.19 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.62 1nkq h LYS 158 CO -0.00 0.09 -0.81 1.97 -2.06 0.00 0.00 179.45 178.64 1nkq n PHE 159 N -3.79 0.30 0.29 -1.35 1.16 0.13 -4.86 117.46 109.34 1nkq n PHE 159 Ca -0.02 -1.17 0.15 0.00 -1.87 0.00 0.00 57.45 54.54 1nkq n PHE 159 Cb 0.18 -0.21 0.89 0.00 -1.61 0.00 0.00 39.48 38.73 1nkq n PHE 159 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1nkq h SER 160 N 1.21 0.00 -0.01 5.98 4.64 -1.17 -1.78 113.55 122.42 1nkq h SER 160 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1nkq h SER 160 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1nkq h SER 160 CO 0.11 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 174.57 1nkq n SER 161 N -3.66 0.15 -0.27 4.97 3.41 -1.26 -3.35 113.62 113.61 1nkq n SER 161 Ca -0.03 -1.41 0.08 0.00 -0.26 0.00 0.00 58.87 57.26 1nkq n SER 161 Cb 0.14 -0.01 0.16 0.00 -0.26 0.00 0.00 64.21 64.24 1nkq n SER 161 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nkq n TYR 162 N -0.71 0.00 -0.09 7.33 4.02 -0.67 -4.82 117.16 122.22 1nkq n TYR 162 Ca 0.15 -1.14 -0.10 0.00 -0.01 0.00 0.00 57.90 56.80 1nkq n TYR 162 Cb 0.09 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.19 1nkq n TYR 162 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1nkq h LYS 163 N 0.34 -0.34 0.00 -0.72 1.57 -1.69 -2.43 116.57 113.29 1nkq h LYS 163 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1nkq h LYS 163 Cb 1.02 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1nkq h LYS 163 CO 0.00 -0.23 0.00 -1.13 -0.57 0.00 0.00 179.45 177.52 1nkq n SER 164 N -5.42 0.00 -2.13 0.86 3.41 -1.26 -2.43 113.62 106.65 1nkq n SER 164 Ca -0.01 0.78 -0.18 0.00 -0.26 0.00 0.00 58.87 59.19 1nkq n SER 164 Cb 0.35 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1nkq n SER 164 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1nkq n ASN 165 N -1.95 6.11 -0.21 4.04 6.94 -1.19 -4.52 115.26 124.47 1nkq n ASN 165 Ca 0.00 -2.94 0.13 0.00 -0.02 0.00 0.00 54.58 51.75 1nkq n ASN 165 Cb 0.00 -1.22 0.43 0.00 -2.36 0.00 0.00 39.78 36.64 1nkq n ASN 165 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1nkq h LEU 166 N 3.69 0.53 -1.65 -4.53 7.12 -1.08 -2.59 115.31 116.80 1nkq h LEU 166 Ca 0.29 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 1nkq h LEU 166 Cb 0.97 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 1nkq h LEU 166 CO 0.63 0.28 0.09 -0.61 -0.13 0.00 0.00 178.44 178.70 1nkq h GLN 167 N 0.57 0.31 -0.27 1.25 5.75 -1.87 -3.28 115.11 117.57 1nkq h GLN 167 Ca 0.39 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 1nkq h GLN 167 Cb 0.72 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1nkq h GLN 167 CO -0.15 0.27 0.00 -0.25 -2.65 0.00 0.00 178.83 176.04 1nkq n ASP 168 N -4.44 2.91 0.02 -0.69 9.92 -0.97 -3.83 116.55 119.47 1nkq n ASP 168 Ca 0.00 -1.85 0.13 0.00 -0.53 0.00 0.00 54.79 52.54 1nkq n ASP 168 Cb 0.12 -0.17 0.35 0.00 -0.64 0.00 0.00 41.12 40.78 1nkq n ASP 168 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1nkq n ILE 169 N 1.01 0.12 -3.98 0.53 -5.35 -1.24 -4.71 119.36 105.74 1nkq n ILE 169 Ca 0.14 -0.08 -0.30 0.00 -0.27 0.00 0.00 62.75 62.24 1nkq n ILE 169 Cb 0.47 -0.10 -0.05 0.00 -1.74 0.00 0.00 39.64 38.23 1nkq n ILE 169 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1nkq s PHE 170 N -3.04 3.37 -0.06 4.28 0.40 -1.26 -0.68 117.98 120.98 1nkq s PHE 170 Ca 0.11 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.55 1nkq s PHE 170 Cb 0.17 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 42.05 1nkq s PHE 170 CO 0.65 0.55 0.15 0.50 0.70 0.00 0.00 175.22 177.77 1nkq s ARG 171 N -2.63 0.12 -0.02 0.44 3.52 -0.64 0.31 118.95 120.05 1nkq s ARG 171 Ca 0.33 0.33 0.05 0.00 -0.13 0.00 0.00 55.73 56.30 1nkq s ARG 171 Cb -0.12 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.15 1nkq s ARG 171 CO 0.26 -0.12 -0.17 0.14 -0.81 0.00 0.00 175.30 174.60 1nkq s VAL 172 N 0.82 2.87 0.02 7.11 -7.23 0.10 -0.45 120.40 123.64 1nkq s VAL 172 Ca -0.06 -0.90 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 1nkq s VAL 172 Cb -0.08 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 1nkq s VAL 172 CO -0.04 0.52 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.62 1nkq s LYS 173 N -0.93 0.70 -0.03 4.82 1.02 0.24 -1.60 119.74 123.97 1nkq s LYS 173 Ca 0.12 -0.58 -0.00 0.00 0.02 0.00 0.00 55.97 55.53 1nkq s LYS 173 Cb -0.10 -0.64 0.03 0.00 -0.52 0.00 0.00 37.83 36.59 1nkq s LYS 173 CO 0.02 0.16 0.01 0.00 -0.92 0.00 0.00 175.35 174.62 1nkq s SER 175 N 1.23 1.45 -0.17 0.00 0.01 0.24 -0.97 113.70 115.49 1nkq s SER 175 Ca -0.07 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 56.95 1nkq s SER 175 Cb -0.13 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 65.96 1nkq s SER 175 CO -0.02 0.13 -0.20 -0.69 0.41 0.00 0.00 173.24 172.87 1nkq s VAL 176 N -0.36 2.00 -1.36 3.43 1.01 -0.57 0.38 120.40 124.94 1nkq s VAL 176 Ca 0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1nkq s VAL 176 Cb -0.05 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1nkq s VAL 176 CO -0.00 0.53 0.51 0.59 0.00 0.00 0.00 175.10 176.73 1nkq n ASN 177 N 4.52 -0.91 0.00 3.32 3.02 0.17 -1.20 115.26 124.17 1nkq n ASN 177 Ca -0.20 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1nkq n ASN 177 Cb 0.50 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 1nkq n ASN 177 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nkq n GLY 178 N -1.86 1.24 3.42 7.41 0.00 -1.26 -4.99 105.19 109.15 1nkq n GLY 178 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1nkq n GLY 178 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nkq s GLN 179 N -0.14 3.02 0.01 1.61 0.74 -0.34 -5.05 119.66 119.50 1nkq s GLN 179 Ca 0.00 -0.96 -0.30 0.00 0.05 0.00 0.00 55.36 54.15 1nkq s GLN 179 Cb 0.00 -3.77 -0.07 0.00 1.10 0.00 0.00 33.01 30.27 1nkq s GLN 179 CO 0.00 -0.64 1.68 -1.17 -0.55 0.00 0.00 175.29 174.61 1nkq s LEU 180 N 1.61 4.35 -0.11 3.68 2.96 -1.26 -1.51 118.68 128.41 1nkq s LEU 180 Ca 0.04 2.39 0.04 0.00 -0.22 0.00 0.00 54.13 56.37 1nkq s LEU 180 Cb -0.19 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 1nkq s LEU 180 CO 0.08 -0.92 -0.05 0.54 -1.32 0.00 0.00 176.35 174.68 1nkq n ARG 181 N 6.46 1.16 -4.46 1.98 1.74 -0.14 -4.97 116.66 118.42 1nkq n ARG 181 Ca 0.17 0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 57.08 1nkq n ARG 181 Cb 0.42 -1.23 -0.16 0.00 -1.02 0.00 0.00 32.46 30.47 1nkq n ARG 181 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nkq s GLN 182 N -2.23 1.08 -0.34 5.56 -0.21 -0.94 -4.48 119.66 118.09 1nkq s GLN 182 Ca -0.11 -0.35 0.04 0.00 0.02 0.00 0.00 55.36 54.95 1nkq s GLN 182 Cb 0.04 -0.99 0.16 0.00 1.00 0.00 0.00 33.01 33.22 1nkq s GLN 182 CO 0.31 0.14 0.45 0.34 -2.12 0.00 0.00 175.29 174.41 1nkq s ASP 183 N 0.15 0.22 0.00 5.90 -1.08 -1.25 -1.54 116.67 119.07 1nkq s ASP 183 Ca -0.03 -0.88 -0.04 0.00 -0.52 0.00 0.00 52.55 51.09 1nkq s ASP 183 Cb -0.09 1.11 -0.01 0.00 -1.46 0.00 0.00 42.92 42.48 1nkq s ASP 183 CO 0.01 -0.28 0.06 -0.83 0.52 0.00 0.00 175.17 174.65 1nkq s GLY 184 N 2.01 0.10 0.24 2.66 0.00 -0.63 -4.96 107.32 106.75 1nkq s GLY 184 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 1nkq s GLY 184 CO -0.16 -0.35 0.45 -0.32 0.00 0.00 0.00 173.10 172.72 1nkq s GLY 185 N -1.18 1.74 0.00 0.20 0.00 -1.26 0.01 107.32 106.83 1nkq s GLY 185 Ca -0.13 -0.79 0.17 0.00 0.00 0.00 0.00 44.72 43.97 1nkq s GLY 185 CO 0.00 -0.73 1.42 -1.30 0.00 0.00 0.00 173.10 172.50 1nkq n THR 186 N -0.87 0.13 1.11 0.90 -2.24 0.15 -1.85 114.28 111.61 1nkq n THR 186 Ca -0.04 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1nkq n THR 186 Cb 0.54 -0.77 0.58 0.00 -2.10 0.00 0.00 70.33 68.58 1nkq n THR 186 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1nkq n ASN 187 N -1.07 0.14 -4.43 3.42 6.94 -1.25 -4.70 115.26 114.30 1nkq n ASN 187 Ca 0.11 0.16 -0.44 0.00 -0.02 0.00 0.00 54.58 54.39 1nkq n ASN 187 Cb 0.08 -0.29 -0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1nkq n ASN 187 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1nkq s LEU 188 N -2.88 5.38 0.03 -4.53 1.43 -0.77 -5.06 118.68 112.28 1nkq s LEU 188 Ca 0.17 -2.96 0.00 0.00 -1.03 0.00 0.00 54.13 50.31 1nkq s LEU 188 Cb 0.19 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1nkq s LEU 188 CO 0.54 -0.69 0.00 0.18 0.23 0.00 0.00 176.35 176.61 1nkq n LEU 190 N 5.13 0.09 -4.38 1.79 4.77 0.17 -0.91 117.00 123.65 1nkq n LEU 190 Ca 0.31 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.93 1nkq n LEU 190 Cb 0.43 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1nkq n LEU 190 CO 0.56 -0.32 -0.13 -1.00 -1.33 0.00 0.00 177.39 175.18 1nkq s HIS 191 N -2.00 3.25 0.80 -1.77 3.76 -1.26 -5.07 115.29 113.00 1nkq s HIS 191 Ca 0.00 -0.95 -0.14 0.00 -0.15 0.00 0.00 55.06 53.81 1nkq s HIS 191 Cb 0.00 -2.55 0.03 0.00 1.11 0.00 0.00 32.58 31.18 1nkq s HIS 191 CO 0.00 -0.67 0.86 -0.35 -0.85 0.00 0.00 174.74 173.73 1nkq n PRO 192 N 5.03 0.16 -0.25 8.40 -0.04 -1.26 -4.68 135.00 142.36 1nkq n PRO 192 Ca -0.11 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1nkq n PRO 192 Cb 0.46 -2.15 0.07 0.00 -0.04 0.00 0.00 33.50 31.84 1nkq n PRO 192 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nkq h LEU 193 N -0.82 -0.73 -0.76 1.53 3.38 -1.96 -0.85 115.31 115.11 1nkq h LEU 193 Ca -0.46 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1nkq h LEU 193 Cb 1.31 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 1nkq h LEU 193 CO 0.43 -0.25 0.30 1.12 0.09 0.00 0.00 178.44 180.14 1nkq h HIS 194 N -0.02 1.16 0.00 1.13 2.07 -1.90 -1.99 115.15 115.60 1nkq h HIS 194 Ca 0.34 -0.09 -0.05 0.00 -2.85 0.00 0.00 60.37 57.72 1nkq h HIS 194 Cb 0.53 -0.35 -0.01 0.00 2.57 0.00 0.00 27.41 30.16 1nkq h HIS 194 CO -0.59 0.88 -0.22 -0.22 -3.07 0.00 0.00 177.93 174.72 1nkq h LYS 195 N 1.10 0.00 0.14 5.12 3.11 -1.55 -2.12 116.57 122.37 1nkq h LYS 195 Ca 0.25 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.09 1nkq h LYS 195 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1nkq h LYS 195 CO -0.02 0.22 -0.07 0.82 -2.81 0.00 0.00 179.45 177.59 1nkq h ILE 196 N 0.00 1.00 -0.25 2.00 2.04 -0.48 -1.29 117.51 120.52 1nkq h ILE 196 Ca -0.00 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.83 1nkq h ILE 196 Cb 0.39 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1nkq h ILE 196 CO 0.03 0.23 0.04 -0.07 0.00 0.00 0.00 178.15 178.38 1nkq h LEU 197 N -0.74 -0.00 0.85 1.44 -0.00 -1.34 -1.54 115.31 113.98 1nkq h LEU 197 Ca -0.02 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 57.86 1nkq h LEU 197 Cb 0.53 0.06 0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1nkq h LEU 197 CO 0.03 0.03 -0.43 -0.61 -0.00 0.00 0.00 178.44 177.46 1nkq h GLN 198 N 0.14 -1.13 -0.58 1.13 -0.00 -1.47 -1.75 115.11 111.45 1nkq h GLN 198 Ca 0.11 0.08 0.09 0.00 -0.00 0.00 0.00 58.65 58.94 1nkq h GLN 198 Cb 0.12 0.26 -0.07 0.00 0.00 0.00 0.00 27.48 27.78 1nkq h GLN 198 CO -0.16 -0.75 0.18 1.25 0.00 0.00 0.00 178.83 179.34 1nkq h HIS 199 N -1.17 0.30 -0.68 3.99 2.76 -1.16 -1.83 115.15 117.36 1nkq h HIS 199 Ca -0.12 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 1nkq h HIS 199 Cb 0.91 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.79 1nkq h HIS 199 CO -0.03 0.05 0.32 0.82 -1.30 0.00 0.00 177.93 177.79 1nkq h ILE 200 N 0.33 1.23 0.00 6.26 2.04 -1.25 -2.53 117.51 123.59 1nkq h ILE 200 Ca 0.29 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1nkq h ILE 200 Cb 0.38 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1nkq h ILE 200 CO -0.33 0.27 0.15 0.77 0.00 0.00 0.00 178.15 179.01 1nkq h SER 201 N 0.94 0.00 -0.10 1.72 4.64 -0.43 -0.56 113.55 119.76 1nkq h SER 201 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1nkq h SER 201 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1nkq h SER 201 CO -0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.28 1nkq n THR 202 N -2.67 0.36 -1.47 2.95 -2.24 -0.96 0.09 114.28 110.34 1nkq n THR 202 Ca -0.02 -0.21 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 1nkq n THR 202 Cb 0.20 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.03 1nkq n THR 202 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1nkq n ILE 204 N 0.02 0.01 -1.62 2.28 5.41 -0.22 -4.87 119.36 120.37 1nkq n ILE 204 Ca 0.04 -0.21 -0.39 0.00 1.00 0.00 0.00 62.75 63.20 1nkq n ILE 204 Cb 0.31 -1.15 0.04 0.00 -0.71 0.00 0.00 39.64 38.12 1nkq n ILE 204 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1nkq n SER 205 N 11.16 1.06 -4.63 4.38 7.64 -1.26 -4.92 113.62 127.05 1nkq n SER 205 Ca 0.55 0.89 -0.33 0.00 1.01 0.00 0.00 58.87 60.99 1nkq n SER 205 Cb 0.16 -1.39 -0.10 0.00 -1.01 0.00 0.00 64.21 61.87 1nkq n SER 205 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nkq s LEU 206 N -1.61 3.33 0.23 -3.43 1.43 -0.19 -4.99 118.68 113.45 1nkq s LEU 206 Ca 0.71 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1nkq s LEU 206 Cb -0.46 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1nkq s LEU 206 CO 0.51 0.30 -0.06 -1.83 0.23 0.00 0.00 176.35 175.50 1nkq s GLU 207 N -1.31 1.36 0.01 1.70 -1.05 -1.26 -1.32 118.70 116.83 1nkq s GLU 207 Ca 0.17 -1.66 -0.37 0.00 -0.15 0.00 0.00 54.97 52.96 1nkq s GLU 207 Cb -0.11 -0.88 -0.16 0.00 -0.44 0.00 0.00 34.13 32.53 1nkq s GLU 207 CO 0.07 0.03 1.43 -2.30 0.95 0.00 0.00 175.26 175.43 1nkq n PRO 208 N -0.43 1.16 0.00 -4.83 -0.02 -1.23 -1.86 135.00 127.78 1nkq n PRO 208 Ca -0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1nkq n PRO 208 Cb 0.62 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1nkq n PRO 208 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 209 N 2.88 1.49 3.77 -1.23 0.00 0.13 -4.79 105.19 107.43 1nkq n GLY 209 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1nkq n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkq s ASP 210 N -1.60 6.07 -0.22 1.61 1.01 -0.78 -3.66 116.67 119.09 1nkq s ASP 210 Ca 0.00 2.73 -0.06 0.00 0.71 0.00 0.00 52.55 55.93 1nkq s ASP 210 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1nkq s ASP 210 CO 0.00 -1.02 0.02 -0.63 0.21 0.00 0.00 175.17 173.75 1nkq s ILE 211 N -1.26 4.04 -0.27 0.77 1.01 -0.64 -1.46 121.20 123.38 1nkq s ILE 211 Ca 0.60 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 1nkq s ILE 211 Cb -0.39 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1nkq s ILE 211 CO 0.50 0.39 0.03 -0.63 0.00 0.00 0.00 174.94 175.23 1nkq s ILE 212 N 1.32 3.70 -0.21 2.92 -1.09 0.12 -1.13 121.20 126.84 1nkq s ILE 212 Ca 0.04 -0.66 -0.22 0.00 -2.23 0.00 0.00 60.65 57.58 1nkq s ILE 212 Cb -0.15 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.87 1nkq s ILE 212 CO 0.02 0.19 0.69 -0.76 -1.23 0.00 0.00 174.94 173.85 1nkq s LEU 213 N 1.48 4.13 0.00 2.97 1.43 -0.15 -0.75 118.68 127.77 1nkq s LEU 213 Ca 0.03 0.90 0.23 0.00 -1.03 0.00 0.00 54.13 54.26 1nkq s LEU 213 Cb -0.16 -2.98 0.86 0.00 0.03 0.00 0.00 46.19 43.94 1nkq s LEU 213 CO 0.00 -0.35 1.62 0.35 0.23 0.00 0.00 176.35 178.21 1nkq n THR 214 N 4.87 0.14 0.00 5.49 -2.24 -0.99 -1.88 114.28 119.67 1nkq n THR 214 Ca 0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1nkq n THR 214 Cb 0.49 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1nkq n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nkq n GLY 215 N 1.13 2.58 3.11 3.38 0.00 -1.26 -4.80 105.19 109.34 1nkq n GLY 215 Ca 0.17 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 1nkq n GLY 215 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nkq s THR 216 N -2.14 1.07 1.18 2.61 -1.32 -1.26 -4.25 115.64 111.52 1nkq s THR 216 Ca 0.00 -0.72 -0.20 0.00 -1.21 0.00 0.00 61.69 59.56 1nkq s THR 216 Cb 0.00 -0.92 0.30 0.00 -1.51 0.00 0.00 72.50 70.36 1nkq s THR 216 CO 0.00 0.19 0.91 -2.65 -2.21 0.00 0.00 174.62 170.86 1nkq n PRO 217 N 2.45 -3.51 -2.32 7.08 -0.02 -1.26 -4.42 135.00 133.00 1nkq n PRO 217 Ca -0.15 -1.48 -0.34 0.00 -2.02 0.00 0.00 63.50 59.51 1nkq n PRO 217 Cb 0.55 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 1nkq n PRO 217 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nkq s ALA 218 N -2.70 2.78 0.00 3.55 0.00 -1.26 -4.41 121.76 119.72 1nkq s ALA 218 Ca 0.62 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1nkq s ALA 218 Cb -0.08 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1nkq s ALA 218 CO 0.49 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1nkq n GLY 219 N -0.38 1.41 3.60 0.00 0.00 -1.26 -4.49 105.19 104.07 1nkq n GLY 219 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1nkq n GLY 219 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1nkq n VAL 220 N -0.99 1.84 -3.31 1.61 3.14 -1.26 -4.56 118.33 114.80 1nkq n VAL 220 Ca 0.00 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1nkq n VAL 220 Cb 0.00 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 1nkq n VAL 220 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nkq n GLY 221 N 1.31 5.68 3.49 7.55 0.00 -1.22 -4.96 105.19 117.03 1nkq n GLY 221 Ca 0.10 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1nkq n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nkq s GLU 222 N 0.07 1.88 -0.10 1.61 2.12 -1.26 -2.09 118.70 120.93 1nkq s GLU 222 Ca 0.00 -1.12 0.03 0.00 0.36 0.00 0.00 54.97 54.24 1nkq s GLU 222 Cb 0.00 -2.15 -0.01 0.00 0.26 0.00 0.00 34.13 32.23 1nkq s GLU 222 CO 0.00 0.50 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.51 1nkq s LEU 223 N -1.99 2.36 0.12 2.70 1.43 0.15 -4.87 118.68 118.59 1nkq s LEU 223 Ca 0.17 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1nkq s LEU 223 Cb -0.11 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1nkq s LEU 223 CO 0.09 0.20 -0.20 -0.54 0.23 0.00 0.00 176.35 176.13 1nkq s LYS 224 N 0.15 1.17 0.27 1.70 1.02 -1.26 -3.93 119.74 118.85 1nkq s LYS 224 Ca -0.10 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 1nkq s LYS 224 Cb -0.16 -1.36 -0.13 0.00 -0.52 0.00 0.00 37.83 35.65 1nkq s LYS 224 CO 0.06 0.30 1.30 -0.35 -0.92 0.00 0.00 175.35 175.75 1nkq n PRO 225 N 0.84 1.91 0.00 -1.68 -0.04 -1.26 -1.39 135.00 133.38 1nkq n PRO 225 Ca -0.18 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1nkq n PRO 225 Cb 0.55 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1nkq n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nkq n GLY 226 N 1.62 2.92 3.75 0.55 0.00 -0.22 -4.95 105.19 108.87 1nkq n GLY 226 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1nkq n GLY 226 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nkq n ASP 227 N 0.00 3.31 -4.38 1.61 8.00 -0.48 -4.70 116.55 119.91 1nkq n ASP 227 Ca 0.00 1.16 -0.36 0.00 0.71 0.00 0.00 54.79 56.31 1nkq n ASP 227 Cb 0.00 -1.58 -0.13 0.00 -0.02 0.00 0.00 41.12 39.39 1nkq n ASP 227 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nkq s ARG 228 N -2.24 3.52 -0.14 -1.24 1.81 -1.26 -1.40 118.95 118.00 1nkq s ARG 228 Ca 0.58 -0.55 -0.04 0.00 -1.72 0.00 0.00 55.73 54.00 1nkq s ARG 228 Cb -0.48 -3.17 -0.03 0.00 -0.45 0.00 0.00 34.95 30.82 1nkq s ARG 228 CO 0.60 -0.19 0.00 0.08 -0.68 0.00 0.00 175.30 175.12 1nkq s VAL 229 N 1.53 4.29 -0.15 3.52 1.01 0.72 -0.66 120.40 130.66 1nkq s VAL 229 Ca 0.06 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1nkq s VAL 229 Cb -0.15 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1nkq s VAL 229 CO 0.00 0.52 -0.19 -2.28 0.00 0.00 0.00 175.10 173.15 1nkq s HIS 230 N 0.01 2.52 -0.03 5.22 2.46 0.16 -1.22 115.29 124.41 1nkq s HIS 230 Ca 0.03 -1.37 0.06 0.00 0.47 0.00 0.00 55.06 54.25 1nkq s HIS 230 Cb -0.13 -1.76 -0.01 0.00 -0.13 0.00 0.00 32.58 30.55 1nkq s HIS 230 CO 0.02 -0.67 -0.21 0.00 -2.47 0.00 0.00 174.74 171.41 1nkq s GLU 232 N -0.28 0.92 -0.14 0.00 2.02 0.22 -4.30 118.70 117.13 1nkq s GLU 232 Ca 0.02 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.43 1nkq s GLU 232 Cb -0.10 -0.89 0.01 0.00 0.10 0.00 0.00 34.13 33.25 1nkq s GLU 232 CO 0.01 0.23 -0.20 -1.17 0.02 0.00 0.00 175.26 174.15 1nkq s LEU 233 N -0.76 1.99 0.04 1.80 0.20 -0.73 -0.59 118.68 120.64 1nkq s LEU 233 Ca 0.02 -0.56 0.08 0.00 0.69 0.00 0.00 54.13 54.36 1nkq s LEU 233 Cb -0.06 -1.35 -0.03 0.00 -0.43 0.00 0.00 46.19 44.31 1nkq s LEU 233 CO 0.00 0.04 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.13 1nkq s LEU 234 N 0.97 2.39 -0.24 -0.68 1.02 0.40 -1.14 118.68 121.39 1nkq s LEU 234 Ca -0.04 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.61 1nkq s LEU 234 Cb -0.15 -1.40 0.04 0.00 0.02 0.00 0.00 46.19 44.70 1nkq s LEU 234 CO -0.04 0.26 -0.11 -1.58 0.02 0.00 0.00 176.35 174.90 1nkq s GLN 235 N -1.32 2.57 -1.35 1.70 0.74 0.00 -1.62 119.66 120.38 1nkq s GLN 235 Ca 0.13 -1.14 -0.04 0.00 0.05 0.00 0.00 55.36 54.36 1nkq s GLN 235 Cb -0.10 -2.87 0.02 0.00 1.10 0.00 0.00 33.01 31.16 1nkq s GLN 235 CO 0.03 -0.46 0.86 0.09 -0.55 0.00 0.00 175.29 175.27 1nkq n ASN 236 N 4.55 -2.66 0.00 6.67 3.02 0.14 -1.47 115.26 125.51 1nkq n ASN 236 Ca -0.16 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1nkq n ASN 236 Cb 0.45 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 1nkq n ASN 236 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1nkq n ASN 237 N -3.01 -4.03 -4.45 6.41 3.02 -1.26 -4.99 115.26 106.95 1nkq n ASN 237 Ca -0.19 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.03 1nkq n ASN 237 Cb 0.63 -2.23 -0.13 0.00 -0.61 0.00 0.00 39.78 37.45 1nkq n ASN 237 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1nkq s ASP 238 N -2.07 4.56 -0.04 6.41 1.01 -0.54 -5.04 116.67 120.96 1nkq s ASP 238 Ca 0.00 -0.20 -0.29 0.00 0.71 0.00 0.00 52.55 52.77 1nkq s ASP 238 Cb 0.00 -1.73 -0.07 0.00 1.01 0.00 0.00 42.92 42.12 1nkq s ASP 238 CO 0.00 0.16 1.96 0.21 0.21 0.00 0.00 175.17 177.71 1nkq s ASN 239 N 0.42 6.26 -0.00 0.27 3.84 -1.26 -0.82 114.94 123.65 1nkq s ASN 239 Ca -0.06 2.39 0.09 0.00 0.21 0.00 0.00 52.86 55.49 1nkq s ASN 239 Cb -0.15 -2.53 -0.10 0.00 -0.55 0.00 0.00 41.25 37.93 1nkq s ASN 239 CO 0.03 -1.24 0.37 2.30 -2.79 0.00 0.00 177.10 175.77 1nkq n ILE 240 N 6.06 0.00 -3.77 -5.21 -5.35 -0.29 -4.92 119.36 105.87 1nkq n ILE 240 Ca 0.22 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 1nkq n ILE 240 Cb 0.42 0.97 -0.12 0.00 -1.74 0.00 0.00 39.64 39.17 1nkq n ILE 240 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1nkq s VAL 241 N -1.88 -0.01 -0.05 7.28 1.01 -0.93 -4.98 120.40 120.85 1nkq s VAL 241 Ca 0.03 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 1nkq s VAL 241 Cb 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1nkq s VAL 241 CO 0.37 0.02 0.30 -0.62 0.00 0.00 0.00 175.10 175.16 1nkq s ASP 242 N 0.49 -0.22 -0.16 3.32 -1.08 -1.26 -1.77 116.67 116.00 1nkq s ASP 242 Ca -0.03 0.23 -0.29 0.00 -0.52 0.00 0.00 52.55 51.94 1nkq s ASP 242 Cb -0.04 0.41 0.10 0.00 -1.46 0.00 0.00 42.92 41.93 1nkq s ASP 242 CO -0.03 -0.34 0.88 0.20 0.52 0.00 0.00 175.17 176.41 1nkq s ASN 244 N -0.87 -0.51 0.03 -0.34 -0.87 -1.26 -5.02 114.94 106.10 1nkq s ASN 244 Ca -0.09 0.68 -0.00 0.00 -1.57 0.00 0.00 52.86 51.87 1nkq s ASN 244 Cb -0.05 0.58 -0.03 0.00 -0.02 0.00 0.00 41.25 41.74 1nkq s ASN 244 CO 0.03 -0.39 -0.03 -0.36 -2.57 0.00 0.00 177.10 173.79 1nkq s PHE 245 N -0.77 0.35 -0.02 2.20 0.40 -0.36 -4.52 117.98 115.26 1nkq s PHE 245 Ca -0.04 -0.71 0.05 0.00 -0.60 0.00 0.00 56.93 55.63 1nkq s PHE 245 Cb -0.01 -0.26 -0.01 0.00 0.51 0.00 0.00 43.02 43.25 1nkq s PHE 245 CO 0.03 -0.26 -0.18 -1.83 0.70 0.00 0.00 175.22 173.68 1nkq s GLU 246 N -2.32 1.53 0.04 0.44 -1.05 -1.26 -0.20 118.70 115.88 1nkq s GLU 246 Ca -0.08 -0.64 -0.13 0.00 -0.15 0.00 0.00 54.97 53.97 1nkq s GLU 246 Cb -0.04 -1.44 -0.06 0.00 -0.44 0.00 0.00 34.13 32.15 1nkq s GLU 246 CO -0.04 0.36 0.42 0.00 0.95 0.00 0.00 175.26 176.95 1nkq s GLU 248 N -1.46 1.14 0.04 0.00 2.02 0.18 -1.05 118.70 119.58 1nkq s GLU 248 Ca 0.28 -1.43 -0.28 0.00 0.02 0.00 0.00 54.97 53.56 1nkq s GLU 248 Cb -0.16 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.33 1nkq s GLU 248 CO 0.16 -0.38 0.90 -0.80 0.02 0.00 0.00 175.26 175.15 1nkq s ASN 249 N -3.07 7.35 0.09 -0.19 0.01 -1.26 -0.01 114.94 117.85 1nkq s ASN 249 Ca 0.28 1.62 -0.31 0.00 -0.71 0.00 0.00 52.86 53.74 1nkq s ASN 249 Cb 0.06 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.11 1nkq s ASN 249 CO 0.06 -0.12 1.21 -0.60 -1.51 0.00 0.00 177.10 176.14 1nkq s ARG 250 N 0.40 4.44 0.00 -0.60 3.52 -0.68 -4.75 118.95 121.27 1nkq s ARG 250 Ca 0.46 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.87 1nkq s ARG 250 Cb -0.21 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1nkq s ARG 250 CO 0.27 -0.23 0.00 -0.35 -0.81 0.00 0.00 175.30 174.17 1nkq n PRO 251 N 3.64 0.52 0.00 5.12 -0.04 -1.26 -4.59 135.00 138.39 1nkq n PRO 251 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1nkq n PRO 251 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1nkq n PRO 251 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nkq n GLY 252 N 4.06 -0.37 0.13 0.55 0.00 -1.26 -4.64 105.19 103.66 1nkq n GLY 252 Ca 0.00 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.44 1nkq n GLY 252 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nkq n PRO 253 N -0.26 0.19 -1.89 1.61 -0.04 -1.26 -4.86 135.00 128.49 1nkq n PRO 253 Ca 0.00 0.43 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 1nkq n PRO 253 Cb 0.00 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1nkq n PRO 253 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1nkq s TYR 254 N -3.32 2.62 -0.28 0.54 5.04 -1.26 -5.01 117.35 115.69 1nkq s TYR 254 Ca 0.04 1.29 -0.14 0.00 -2.44 0.00 0.00 57.07 55.81 1nkq s TYR 254 Cb 0.09 -3.87 0.09 0.00 0.35 0.00 0.00 41.96 38.62 1nkq s TYR 254 CO 0.39 -2.66 0.66 -2.00 -1.34 0.00 0.00 175.55 170.60 1nkq s GLU 255 N -2.26 0.66 -0.28 4.97 2.12 -1.26 -4.32 118.70 118.33 1nkq s GLU 255 Ca 0.57 1.24 -0.19 0.00 0.36 0.00 0.00 54.97 56.95 1nkq s GLU 255 Cb -0.43 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.21 1nkq s GLU 255 CO 0.56 -0.16 0.58 0.12 -0.54 0.00 0.00 175.26 175.82 1nkq s PHE 256 N 1.86 3.24 0.00 5.30 5.36 0.18 -4.98 117.98 128.94 1nkq s PHE 256 Ca -0.09 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.50 1nkq s PHE 256 Cb -0.07 -2.86 0.00 0.00 -0.34 0.00 0.00 43.02 39.76 1nkq s PHE 256 CO -0.19 -0.38 0.26 0.54 -1.46 0.00 0.00 175.22 173.98